#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtj n THR 26 N 0.00 -3.98 -4.79 0.00 -1.04 -1.26 -5.01 114.28 98.20 3gtj n THR 26 Ca 0.00 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 3gtj n THR 26 Cb 0.00 -3.19 -0.13 0.00 -1.82 0.00 0.00 70.33 65.20 3gtj n THR 26 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3gtj s LEU 27 N -6.18 2.87 0.00 -4.42 2.34 -1.26 -5.02 118.68 107.01 3gtj s LEU 27 Ca 0.28 -0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.31 3gtj s LEU 27 Cb -0.14 -1.61 0.00 0.00 -0.56 0.00 0.00 46.19 43.88 3gtj s LEU 27 CO 0.91 0.32 0.00 0.29 -1.06 0.00 0.00 176.35 176.81 3gtj n LYS 28 N 2.49 0.00 -3.85 1.48 5.02 -1.26 -5.03 118.16 117.01 3gtj n LYS 28 Ca -0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.89 3gtj n LYS 28 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 3gtj n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gtj s TYR 29 N 0.00 2.66 -0.05 2.13 1.51 0.03 -4.55 117.35 119.08 3gtj s TYR 29 Ca 0.00 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.49 3gtj s TYR 29 Cb 0.00 -2.05 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 3gtj s TYR 29 CO 0.00 0.04 0.13 0.42 -1.11 0.00 0.00 175.55 175.03 3gtj s ILE 30 N -2.53 -0.03 0.47 2.71 1.01 -0.84 -1.36 121.20 120.63 3gtj s ILE 30 Ca 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 3gtj s ILE 30 Cb 0.00 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.27 3gtj s ILE 30 CO 0.25 0.04 0.70 0.00 0.00 0.00 0.00 174.94 175.93 3gtj s ALA 32 N -2.61 4.15 0.00 0.00 0.00 -1.26 -3.54 121.76 118.50 3gtj s ALA 32 Ca 0.49 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3gtj s ALA 32 Cb -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3gtj s ALA 32 CO 0.39 -0.12 0.00 0.39 0.00 0.00 0.00 175.76 176.41 3gtj n GLU 33 N -1.59 0.00 0.00 0.00 1.02 -1.26 -4.48 120.64 114.33 3gtj n GLU 33 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3gtj n GLU 33 Cb 0.60 -4.11 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 3gtj n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtj n SER 35 N -0.29 -4.72 -4.20 0.00 7.64 -1.23 -4.99 113.62 105.83 3gtj n SER 35 Ca 0.00 -1.07 -0.23 0.00 1.01 0.00 0.00 58.87 58.58 3gtj n SER 35 Cb 0.00 -1.90 -0.14 0.00 -1.01 0.00 0.00 64.21 61.16 3gtj n SER 35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gtj s SER 36 N -3.22 2.12 -0.49 6.43 0.15 -1.26 -5.02 113.70 112.41 3gtj s SER 36 Ca 0.22 -0.48 -0.25 0.00 0.70 0.00 0.00 55.95 56.14 3gtj s SER 36 Cb -0.11 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 3gtj s SER 36 CO 0.92 0.12 0.91 -0.54 1.20 0.00 0.00 173.24 175.84 3gtj s LYS 37 N -1.10 3.44 -0.11 5.44 1.02 -1.26 -3.65 119.74 123.52 3gtj s LYS 37 Ca 0.05 -0.04 -0.01 0.00 0.02 0.00 0.00 55.97 56.00 3gtj s LYS 37 Cb -0.08 -3.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.23 3gtj s LYS 37 CO 0.01 -1.30 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.56 3gtj s LEU 38 N 3.74 3.06 -0.23 3.17 1.02 -0.47 -5.00 118.68 123.97 3gtj s LEU 38 Ca 0.33 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.36 3gtj s LEU 38 Cb -0.11 -1.69 0.05 0.00 0.02 0.00 0.00 46.19 44.46 3gtj s LEU 38 CO 0.23 0.26 -0.09 -0.55 0.02 0.00 0.00 176.35 176.22 3gtj s SER 39 N -0.19 3.93 -0.09 2.29 0.15 -1.26 -0.79 113.70 117.74 3gtj s SER 39 Ca 0.02 -1.17 -0.03 0.00 0.70 0.00 0.00 55.95 55.47 3gtj s SER 39 Cb -0.13 -1.34 0.05 0.00 -1.71 0.00 0.00 66.02 62.89 3gtj s SER 39 CO 0.03 -0.19 0.17 -0.76 1.20 0.00 0.00 173.24 173.69 3gtj s LEU 40 N 1.28 0.09 0.00 3.45 1.43 -1.26 -5.05 118.68 118.63 3gtj s LEU 40 Ca -0.05 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3gtj s LEU 40 Cb -0.18 0.35 0.00 0.00 0.03 0.00 0.00 46.19 46.39 3gtj s LEU 40 CO -0.06 -0.22 0.00 -1.54 0.23 0.00 0.00 176.35 174.75 3gtj n SER 41 N 5.04 0.00 -4.71 2.29 3.41 -1.26 -4.99 113.62 113.40 3gtj n SER 41 Ca -0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 3gtj n SER 41 Cb 0.50 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.57 3gtj n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtj s ARG 42 N 1.46 1.85 -1.09 4.33 1.04 -1.26 -3.64 118.95 121.63 3gtj s ARG 42 Ca 0.00 1.64 -0.20 0.00 -1.04 0.00 0.00 55.73 56.13 3gtj s ARG 42 Cb 0.00 -1.81 0.00 0.00 -2.04 0.00 0.00 34.95 31.10 3gtj s ARG 42 CO 0.00 -2.03 0.75 2.41 -0.04 0.00 0.00 175.30 176.39 3gtj n THR 43 N -3.21 -5.29 -1.68 4.99 -1.04 -1.26 -4.91 114.28 101.87 3gtj n THR 43 Ca 0.12 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 3gtj n THR 43 Cb 0.51 -3.98 0.00 0.00 -1.82 0.00 0.00 70.33 65.04 3gtj n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gtj n ASP 44 N -2.51 0.00 0.00 8.00 -0.08 -1.24 -5.16 116.55 115.56 3gtj n ASP 44 Ca -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.17 3gtj n ASP 44 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 3gtj n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gtj n ALA 45 N 0.00 0.00 -3.00 -1.67 0.00 -1.26 -4.92 120.51 109.66 3gtj n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gtj n ALA 45 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3gtj n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtj n VAL 46 N 0.00 0.00 0.00 0.00 0.31 -1.26 -5.03 118.33 112.35 3gtj n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gtj n VAL 46 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3gtj n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gtj n ARG 47 N 0.00 0.00 -3.82 5.55 0.63 -1.26 -5.06 116.66 112.69 3gtj n ARG 47 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3gtj n ARG 47 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 3gtj n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gtj n LYS 49 N 3.51 0.24 -4.01 0.00 3.00 -1.26 -2.99 118.16 116.65 3gtj n LYS 49 Ca -0.18 0.07 -0.30 0.00 -0.00 0.00 0.00 58.31 57.90 3gtj n LYS 49 Cb 0.56 -1.69 -0.00 0.00 0.00 0.00 0.00 35.03 33.90 3gtj n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3gtj n ASP 50 N 7.34 -2.80 0.00 3.14 4.64 -1.26 -4.89 116.55 122.73 3gtj n ASP 50 Ca 0.48 -0.92 0.00 0.00 -1.38 0.00 0.00 54.79 52.97 3gtj n ASP 50 Cb 0.01 -3.32 0.00 0.00 -1.04 0.00 0.00 41.12 36.77 3gtj n ASP 50 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gtj n GLY 52 N 1.81 2.13 3.76 0.00 0.00 -1.25 -5.09 105.19 106.55 3gtj n GLY 52 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3gtj n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gtj n HIS 53 N -0.36 2.61 -0.05 1.61 8.25 -1.26 -4.77 115.22 121.25 3gtj n HIS 53 Ca 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 3gtj n HIS 53 Cb 0.00 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 28.68 3gtj n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gtj n ARG 54 N -0.48 1.13 -2.53 -0.41 1.74 -1.26 -2.52 116.66 112.34 3gtj n ARG 54 Ca 0.07 -1.01 -0.36 0.00 -0.77 0.00 0.00 57.85 55.77 3gtj n ARG 54 Cb 0.42 -0.98 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 3gtj n ARG 54 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3gtj s ILE 55 N -0.52 3.70 -0.13 0.55 -4.36 -1.26 -4.62 121.20 114.56 3gtj s ILE 55 Ca 0.00 1.28 -0.09 0.00 -0.26 0.00 0.00 60.65 61.58 3gtj s ILE 55 Cb 0.00 -3.65 0.04 0.00 1.25 0.00 0.00 42.46 40.10 3gtj s ILE 55 CO 0.00 -0.01 0.33 -0.76 0.24 0.00 0.00 174.94 174.74 3gtj s LEU 56 N -2.72 0.40 0.00 0.37 1.43 -1.26 -4.60 118.68 112.30 3gtj s LEU 56 Ca 0.59 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3gtj s LEU 56 Cb -0.22 1.09 0.01 0.00 0.03 0.00 0.00 46.19 47.10 3gtj s LEU 56 CO 0.27 -0.15 0.06 0.18 0.23 0.00 0.00 176.35 176.94 3gtj n LEU 57 N 3.66 0.00 -0.03 1.79 4.77 0.55 -4.90 117.00 122.84 3gtj n LEU 57 Ca -0.19 -0.39 0.01 0.00 -0.03 0.00 0.00 56.01 55.41 3gtj n LEU 57 Cb 0.56 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3gtj n LEU 57 CO 0.13 -0.31 0.42 1.17 -1.33 0.00 0.00 177.39 177.47 3gtj n LYS 58 N -0.71 1.87 0.00 3.23 4.81 -1.26 -1.98 118.16 124.11 3gtj n LYS 58 Ca -0.00 -1.29 0.00 0.00 -0.87 0.00 0.00 58.31 56.15 3gtj n LYS 58 Cb 0.08 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.25 3gtj n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gtj n ALA 59 N -0.42 0.00 -3.41 3.14 0.00 -1.26 -4.82 120.51 113.74 3gtj n ALA 59 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3gtj n ALA 59 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.84 3gtj n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gtj n ARG 60 N 0.00 0.35 -4.43 0.00 3.00 -1.26 -5.17 116.66 109.15 3gtj n ARG 60 Ca 0.00 -0.77 -0.28 0.00 -0.00 0.00 0.00 57.85 56.80 3gtj n ARG 60 Cb 0.00 1.02 -0.13 0.00 0.00 0.00 0.00 32.46 33.35 3gtj n ARG 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3gtj s THR 61 N -2.38 2.15 0.13 5.15 2.01 -1.26 -5.07 115.64 116.36 3gtj s THR 61 Ca 0.10 -1.67 -0.15 0.00 0.31 0.00 0.00 61.69 60.28 3gtj s THR 61 Cb -0.02 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3gtj s THR 61 CO 0.03 0.10 1.61 0.11 -0.69 0.00 0.00 174.62 175.77 3gtj h LYS 62 N 4.03 0.67 -6.53 4.92 6.56 -2.01 -3.42 116.57 120.79 3gtj h LYS 62 Ca -0.50 -0.18 -0.56 0.00 -1.06 0.00 0.00 60.65 58.35 3gtj h LYS 62 Cb 1.17 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 32.70 3gtj h LYS 62 CO 0.40 0.72 1.07 -0.98 -2.06 0.00 0.00 179.45 178.60 3gtj s ARG 63 N -5.18 3.54 0.40 3.15 1.70 -1.26 -4.99 118.95 116.31 3gtj s ARG 63 Ca -0.13 0.84 -0.10 0.00 -0.47 0.00 0.00 55.73 55.87 3gtj s ARG 63 Cb 0.10 -4.03 -0.06 0.00 -0.57 0.00 0.00 34.95 30.38 3gtj s ARG 63 CO 0.78 -1.62 0.76 -0.51 -1.08 0.00 0.00 175.30 173.63 3gtj s LEU 64 N 5.48 3.84 -0.05 -1.89 1.43 -1.26 -5.05 118.68 121.18 3gtj s LEU 64 Ca 0.59 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3gtj s LEU 64 Cb -0.13 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 3gtj s LEU 64 CO 0.32 -0.39 0.01 0.68 0.23 0.00 0.00 176.35 177.19 3gtj s VAL 65 N -2.36 4.28 0.11 -1.59 -7.23 -1.26 -5.11 120.40 107.23 3gtj s VAL 65 Ca 0.51 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 60.34 3gtj s VAL 65 Cb -0.10 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 3gtj s VAL 65 CO 0.31 0.51 0.04 -1.58 -0.31 0.00 0.00 175.10 174.07 3gtj s GLN 66 N -1.18 2.66 0.14 4.82 0.74 -1.26 -5.13 119.66 120.45 3gtj s GLN 66 Ca 0.16 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 54.76 3gtj s GLN 66 Cb -0.11 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 3gtj s GLN 66 CO 0.06 0.53 -0.06 -0.06 -0.55 0.00 0.00 175.29 175.20 3gtj s PHE 67 N -1.45 1.13 -0.18 1.67 0.40 -1.26 -5.14 117.98 113.15 3gtj s PHE 67 Ca 0.28 -0.87 -0.19 0.00 -0.60 0.00 0.00 56.93 55.54 3gtj s PHE 67 Cb -0.11 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 3gtj s PHE 67 CO 0.20 -0.07 0.53 -1.21 0.70 0.00 0.00 175.22 175.37 3gtj s GLU 68 N -3.82 4.24 0.00 0.44 8.01 -1.26 -4.97 118.70 121.34 3gtj s GLU 68 Ca 0.17 0.46 0.00 0.00 0.01 0.00 0.00 54.97 55.60 3gtj s GLU 68 Cb 0.04 -3.53 0.00 0.00 -4.31 0.00 0.00 34.13 26.33 3gtj s GLU 68 CO -0.00 -0.08 0.54 0.00 0.01 0.00 0.00 175.26 175.72 3gtj n ALA 69 N 4.52 2.47 0.45 5.21 0.00 -1.26 -5.37 120.51 126.54 3gtj n ALA 69 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 3gtj n ALA 69 Cb 0.51 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.00 3gtj n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04