#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 n THR 26 N 0.00 -0.02 0.00 0.00 -1.04 -1.26 -5.08 114.28 106.87 1i50 n THR 26 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1i50 n THR 26 Cb 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1i50 n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n LEU 27 N -2.11 0.00 0.15 -4.42 -0.00 -1.26 -5.06 117.00 104.29 1i50 n LEU 27 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.03 1i50 n LEU 27 Cb 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.52 1i50 n LEU 27 CO 0.00 0.00 0.50 0.11 -0.00 0.00 0.00 177.39 178.00 1i50 h LYS 28 N 0.00 0.00 -3.95 1.47 1.57 -1.93 -3.46 116.57 110.27 1i50 h LYS 28 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1i50 h LYS 28 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 1i50 h LYS 28 CO 0.00 0.50 -0.40 0.71 -0.57 0.00 0.00 179.45 179.70 1i50 s TYR 29 N -3.07 0.38 0.34 -1.35 1.51 -1.25 -4.32 117.35 109.59 1i50 s TYR 29 Ca 0.03 -0.78 0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1i50 s TYR 29 Cb 0.08 -0.13 -0.06 0.00 -0.11 0.00 0.00 41.96 41.74 1i50 s TYR 29 CO 0.74 -0.62 0.06 0.42 -1.11 0.00 0.00 175.55 175.04 1i50 s ILE 30 N -3.94 1.18 -0.12 2.71 1.01 0.34 -1.74 121.20 120.64 1i50 s ILE 30 Ca 0.13 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 58.76 1i50 s ILE 30 Cb 0.05 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1i50 s ILE 30 CO -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 174.94 174.88 1i50 h ALA 32 N 5.96 2.64 0.00 0.00 0.00 -1.88 -3.03 119.26 122.94 1i50 h ALA 32 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1i50 h ALA 32 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i50 h ALA 32 CO 0.59 -1.30 -0.06 0.39 0.00 0.00 0.00 179.25 178.87 1i50 n GLU 33 N -3.49 0.00 0.00 0.00 1.02 -1.26 -4.82 120.64 112.09 1i50 n GLU 33 Ca 0.17 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.39 1i50 n GLU 33 Cb 1.15 -0.32 0.45 0.00 -0.02 0.00 0.00 31.44 32.70 1i50 n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i50 n SER 35 N -0.95 0.00 -4.67 0.00 7.64 -1.14 -4.86 113.62 109.64 1i50 n SER 35 Ca 0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 1i50 n SER 35 Cb 0.05 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 61.80 1i50 n SER 35 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1i50 n SER 36 N 0.00 4.06 -4.55 6.43 3.41 -1.26 -4.50 113.62 117.20 1i50 n SER 36 Ca 0.00 0.92 -0.25 0.00 -0.26 0.00 0.00 58.87 59.27 1i50 n SER 36 Cb 0.00 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.40 1i50 n SER 36 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i50 s LYS 37 N 4.34 1.88 0.00 4.33 1.02 -1.26 -3.60 119.74 126.44 1i50 s LYS 37 Ca 0.89 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.81 1i50 s LYS 37 Cb -0.48 -4.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.15 1i50 s LYS 37 CO 0.43 -3.83 0.00 -0.11 -0.92 0.00 0.00 175.35 170.93 1i50 n LEU 38 N 17.14 0.00 0.00 3.17 7.94 -0.71 -4.98 117.00 139.56 1i50 n LEU 38 Ca 0.41 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1i50 n LEU 38 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1i50 n LEU 38 CO 0.63 -0.15 0.00 -0.24 -1.11 0.00 0.00 177.39 176.52 1i50 n SER 39 N -0.93 0.00 -4.00 1.96 2.88 -1.26 -3.82 113.62 108.45 1i50 n SER 39 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1i50 n SER 39 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1i50 n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1i50 s LEU 40 N 0.00 1.46 0.00 2.46 1.43 -1.26 -4.96 118.68 117.81 1i50 s LEU 40 Ca 0.00 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1i50 s LEU 40 Cb 0.00 0.32 0.00 0.00 0.03 0.00 0.00 46.19 46.54 1i50 s LEU 40 CO 0.00 -0.88 0.00 -1.54 0.23 0.00 0.00 176.35 174.16 1i50 n SER 41 N -0.71 0.00 -4.81 2.29 3.41 -1.26 -5.04 113.62 107.50 1i50 n SER 41 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 1i50 n SER 41 Cb 0.65 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.62 1i50 n SER 41 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1i50 s ARG 42 N 3.83 3.22 -0.04 4.33 3.00 -1.26 -3.54 118.95 128.49 1i50 s ARG 42 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 55.73 56.83 1i50 s ARG 42 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1i50 s ARG 42 CO 0.00 -0.88 0.00 2.41 0.00 0.00 0.00 175.30 176.83 1i50 n THR 43 N -2.40 0.00 0.07 0.02 -1.04 -1.26 -4.86 114.28 104.81 1i50 n THR 43 Ca 0.08 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.20 1i50 n THR 43 Cb 0.53 -0.37 0.23 0.00 -1.82 0.00 0.00 70.33 68.91 1i50 n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1i50 n ASP 44 N -0.27 3.50 0.00 8.00 8.00 -1.23 -5.06 116.55 129.49 1i50 n ASP 44 Ca -0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1i50 n ASP 44 Cb 0.17 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1i50 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i50 n ALA 45 N 1.41 0.00 -3.35 2.24 0.00 -1.26 -4.36 120.51 115.19 1i50 n ALA 45 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1i50 n ALA 45 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1i50 n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i50 s VAL 46 N 0.00 -0.07 0.07 0.00 1.01 -1.26 -5.06 120.40 115.08 1i50 s VAL 46 Ca 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.27 1i50 s VAL 46 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1i50 s VAL 46 CO 0.00 -0.83 0.16 -0.13 0.00 0.00 0.00 175.10 174.30 1i50 s ARG 47 N 0.92 0.76 0.36 2.72 0.52 -1.26 -3.88 118.95 119.09 1i50 s ARG 47 Ca 0.22 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1i50 s ARG 47 Cb -0.11 0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.71 1i50 s ARG 47 CO -0.06 -0.22 0.37 0.00 0.02 0.00 0.00 175.30 175.41 1i50 s LYS 49 N -3.55 3.14 0.00 0.00 -0.14 -1.26 -4.14 119.74 113.79 1i50 s LYS 49 Ca 0.28 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 1i50 s LYS 49 Cb -0.02 -4.19 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1i50 s LYS 49 CO 0.18 -1.65 0.00 -0.25 -0.76 0.00 0.00 175.35 172.87 1i50 n ASP 50 N 7.28 0.00 -4.36 2.83 9.92 -1.26 -4.90 116.55 126.06 1i50 n ASP 50 Ca -0.04 0.00 -0.45 0.00 -0.53 0.00 0.00 54.79 53.77 1i50 n ASP 50 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1i50 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i50 n GLY 52 N 3.01 0.00 3.56 0.00 0.00 -1.26 -2.92 105.19 107.58 1i50 n GLY 52 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1i50 n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i50 s HIS 53 N -0.63 1.13 -0.21 1.61 3.76 -1.26 -4.72 115.29 114.97 1i50 s HIS 53 Ca 0.00 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1i50 s HIS 53 Cb 0.00 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 30.03 1i50 s HIS 53 CO 0.00 -2.67 0.39 0.54 -0.85 0.00 0.00 174.74 172.15 1i50 n ARG 54 N 9.00 0.44 0.00 1.40 1.74 -1.25 -4.13 116.66 123.85 1i50 n ARG 54 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1i50 n ARG 54 Cb 0.54 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1i50 n ARG 54 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1i50 n ILE 55 N 0.68 0.00 -0.52 0.55 5.41 -1.26 -4.92 119.36 119.30 1i50 n ILE 55 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1i50 n ILE 55 Cb 0.20 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 1i50 n ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i50 n LEU 56 N -0.65 -2.93 -4.59 1.39 4.77 -1.26 -4.89 117.00 108.84 1i50 n LEU 56 Ca 0.00 0.70 -0.34 0.00 -0.03 0.00 0.00 56.01 56.34 1i50 n LEU 56 Cb 0.00 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1i50 n LEU 56 CO 0.00 -0.20 -0.37 -0.76 -1.33 0.00 0.00 177.39 174.72 1i50 s LEU 57 N -0.91 3.20 0.00 2.23 1.43 0.17 -4.80 118.68 119.99 1i50 s LEU 57 Ca 0.00 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1i50 s LEU 57 Cb 0.00 -1.70 0.18 0.00 0.03 0.00 0.00 46.19 44.70 1i50 s LEU 57 CO 0.00 0.36 0.53 1.17 0.23 0.00 0.00 176.35 178.64 1i50 n LYS 58 N 2.25 0.14 -1.84 1.70 0.00 -1.26 0.13 118.16 119.28 1i50 n LYS 58 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.13 1i50 n LYS 58 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.24 1i50 n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i50 n ALA 59 N -0.82 -1.98 -0.52 3.14 0.00 -1.26 -4.64 120.51 114.43 1i50 n ALA 59 Ca 0.02 0.49 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 1i50 n ALA 59 Cb 0.01 -1.48 0.28 0.00 0.00 0.00 0.00 19.45 18.26 1i50 n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1i50 s ARG 60 N -2.78 -2.65 0.24 0.00 3.52 -1.26 -5.01 118.95 111.02 1i50 s ARG 60 Ca 0.00 0.07 0.06 0.00 -0.13 0.00 0.00 55.73 55.73 1i50 s ARG 60 Cb 0.00 -1.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.94 1i50 s ARG 60 CO 0.00 -4.68 0.27 0.99 -0.81 0.00 0.00 175.30 171.07 1i50 s THR 61 N -2.43 4.81 -0.31 4.11 2.01 -1.26 -5.01 115.64 117.56 1i50 s THR 61 Ca 0.69 -1.21 0.22 0.00 0.31 0.00 0.00 61.69 61.71 1i50 s THR 61 Cb -0.12 -3.60 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 1i50 s THR 61 CO 0.57 -0.33 0.88 0.29 -0.69 0.00 0.00 174.62 175.34 1i50 n LYS 62 N -1.25 0.51 -0.63 4.92 4.01 -1.26 -4.59 118.16 119.87 1i50 n LYS 62 Ca -0.08 -0.01 -0.18 0.00 -0.51 0.00 0.00 58.31 57.53 1i50 n LYS 62 Cb 0.57 -1.66 -0.02 0.00 -0.51 0.00 0.00 35.03 33.41 1i50 n LYS 62 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1i50 n ARG 63 N -2.32 1.74 0.00 1.97 1.85 -1.26 -4.91 116.66 113.73 1i50 n ARG 63 Ca -0.00 -1.24 0.00 0.00 -1.00 0.00 0.00 57.85 55.60 1i50 n ARG 63 Cb 0.52 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.61 1i50 n ARG 63 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1i50 n LEU 64 N 4.11 0.00 -4.80 2.89 4.77 -1.26 -4.91 117.00 117.79 1i50 n LEU 64 Ca 0.37 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.97 1i50 n LEU 64 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1i50 n LEU 64 CO 0.62 0.00 0.16 -0.69 -1.33 0.00 0.00 177.39 176.15 1i50 s VAL 65 N 0.00 5.00 0.05 4.08 1.01 -1.26 -5.09 120.40 124.20 1i50 s VAL 65 Ca 0.00 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1i50 s VAL 65 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1i50 s VAL 65 CO 0.00 0.51 0.27 -1.58 0.00 0.00 0.00 175.10 174.31 1i50 s GLN 66 N -0.68 3.54 -0.01 2.72 0.74 -1.26 -5.11 119.66 119.60 1i50 s GLN 66 Ca 0.25 -0.20 0.02 0.00 0.05 0.00 0.00 55.36 55.49 1i50 s GLN 66 Cb -0.17 -3.01 -0.00 0.00 1.10 0.00 0.00 33.01 30.93 1i50 s GLN 66 CO 0.14 0.60 -0.07 -0.06 -0.55 0.00 0.00 175.29 175.34 1i50 s PHE 67 N -1.45 0.71 0.33 1.67 0.40 -1.26 -5.12 117.98 113.26 1i50 s PHE 67 Ca 0.33 -0.15 -0.29 0.00 -0.60 0.00 0.00 56.93 56.22 1i50 s PHE 67 Cb -0.13 -0.49 -0.10 0.00 0.51 0.00 0.00 43.02 42.81 1i50 s PHE 67 CO 0.22 -0.05 1.30 -1.21 0.70 0.00 0.00 175.22 176.17 1i50 s GLU 68 N 0.04 4.36 -0.45 0.44 8.01 -1.26 -4.88 118.70 124.95 1i50 s GLU 68 Ca -0.00 2.19 -0.01 0.00 0.01 0.00 0.00 54.97 57.16 1i50 s GLU 68 Cb -0.05 -3.06 0.33 0.00 -4.31 0.00 0.00 34.13 27.03 1i50 s GLU 68 CO -0.00 -0.18 1.99 0.00 0.01 0.00 0.00 175.26 177.08 1i50 n ALA 69 N 0.79 5.54 0.09 5.21 0.00 -1.26 -5.34 120.51 125.53 1i50 n ALA 69 Ca 0.00 -2.39 0.01 0.00 0.00 0.00 0.00 53.44 51.06 1i50 n ALA 69 Cb 0.42 -1.52 0.01 0.00 0.00 0.00 0.00 19.45 18.36 1i50 n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04