#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivo n PRO 7 N 2.65 0.00 0.27 0.00 -0.02 -1.26 -4.70 135.00 131.94 1ivo n PRO 7 Ca -0.11 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.55 1ivo n PRO 7 Cb 0.52 -0.92 0.93 0.00 -0.02 0.00 0.00 33.50 34.00 1ivo n PRO 7 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ivo h LEU 8 N -0.89 0.00 0.00 2.45 3.38 -1.98 -2.74 115.31 115.53 1ivo h LEU 8 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ivo h LEU 8 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ivo h LEU 8 CO 0.22 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.51 1ivo n SER 9 N -3.54 0.00 -0.33 -0.43 2.88 -1.26 -2.89 113.62 108.05 1ivo n SER 9 Ca -0.01 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ivo n SER 9 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1ivo n SER 9 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ivo n HIS 10 N -0.54 0.00 -2.60 0.66 8.25 -1.04 -4.64 115.22 115.31 1ivo n HIS 10 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1ivo n HIS 10 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1ivo n HIS 10 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ivo s ASP 11 N -0.98 7.19 0.00 0.41 1.01 -1.14 -2.59 116.67 120.58 1ivo s ASP 11 Ca 0.00 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.95 1ivo s ASP 11 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1ivo s ASP 11 CO 0.00 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.54 1ivo n GLY 12 N 3.15 2.97 0.08 0.21 0.00 -1.26 -4.95 105.19 105.38 1ivo n GLY 12 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1ivo n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivo n TYR 13 N 0.00 -0.08 -2.37 1.61 4.19 -1.07 -3.66 117.16 115.77 1ivo n TYR 13 Ca 0.00 0.23 -0.41 0.00 3.31 0.00 0.00 57.90 61.03 1ivo n TYR 13 Cb 0.00 -0.37 -0.03 0.00 0.49 0.00 0.00 39.34 39.43 1ivo n TYR 13 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ivo n LEU 15 N 10.07 0.00 -4.04 0.00 4.77 -1.04 -4.09 117.00 122.67 1ivo n LEU 15 Ca 0.11 -0.85 -0.44 0.00 -0.03 0.00 0.00 56.01 54.80 1ivo n LEU 15 Cb 0.50 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1ivo n LEU 15 CO 0.71 -1.35 -0.17 1.41 -1.33 0.00 0.00 177.39 176.66 1ivo n HIS 16 N -3.49 -1.46 -0.44 -1.77 8.25 -1.26 -1.48 115.22 113.58 1ivo n HIS 16 Ca 0.10 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1ivo n HIS 16 Cb 0.37 -2.89 0.00 0.00 1.12 0.00 0.00 29.99 28.59 1ivo n HIS 16 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ivo n ASP 17 N -2.28 -2.27 -4.73 0.41 8.00 -1.26 -4.38 116.55 110.04 1ivo n ASP 17 Ca -0.12 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.03 1ivo n ASP 17 Cb 0.58 -1.82 0.08 0.00 -0.02 0.00 0.00 41.12 39.93 1ivo n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ivo s GLY 18 N -1.01 2.41 -0.16 0.44 0.00 -0.55 -4.67 107.32 103.79 1ivo s GLY 18 Ca 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 44.72 45.54 1ivo s GLY 18 CO 0.00 1.28 0.06 -1.34 0.00 0.00 0.00 173.10 173.10 1ivo s VAL 19 N -1.93 4.76 0.73 1.40 -7.23 -1.11 -4.74 120.40 112.28 1ivo s VAL 19 Ca 0.74 -0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.75 1ivo s VAL 19 Cb -0.29 -3.12 0.03 0.00 0.56 0.00 0.00 36.38 33.57 1ivo s VAL 19 CO 0.43 0.50 1.07 0.00 -0.31 0.00 0.00 175.10 176.79 1ivo s MET 21 N -5.04 0.51 -0.15 0.00 0.23 -0.65 -4.82 119.30 109.38 1ivo s MET 21 Ca 0.59 0.71 -0.23 0.00 -1.03 0.00 0.00 55.69 55.73 1ivo s MET 21 Cb -0.15 0.20 -0.03 0.00 -1.53 0.00 0.00 34.83 33.33 1ivo s MET 21 CO 0.55 -0.08 0.71 -0.47 -2.03 0.00 0.00 175.02 173.70 1ivo s TYR 22 N 0.70 3.45 -1.16 3.16 5.04 -1.26 -2.12 117.35 125.16 1ivo s TYR 22 Ca -0.02 1.12 -0.06 0.00 -2.44 0.00 0.00 57.07 55.67 1ivo s TYR 22 Cb -0.05 -2.87 0.25 0.00 0.35 0.00 0.00 41.96 39.65 1ivo s TYR 22 CO -0.10 -0.12 1.62 -0.89 -1.34 0.00 0.00 175.55 174.73 1ivo n ILE 23 N 4.44 4.94 -0.52 3.14 5.41 0.17 -4.82 119.36 132.12 1ivo n ILE 23 Ca 0.00 -5.33 0.44 0.00 1.00 0.00 0.00 62.75 58.86 1ivo n ILE 23 Cb 0.50 -2.20 0.76 0.00 -0.71 0.00 0.00 39.64 37.99 1ivo n ILE 23 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1ivo h GLU 24 N 5.60 0.03 -0.10 0.38 4.11 -1.94 0.47 114.58 123.13 1ivo h GLU 24 Ca 0.27 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.73 1ivo h GLU 24 Cb 0.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ivo h GLU 24 CO 1.44 0.02 0.08 0.00 0.07 0.00 0.00 179.01 180.62 1ivo h ALA 25 N 1.26 1.95 0.00 1.06 0.00 -1.94 -2.84 119.26 118.74 1ivo h ALA 25 Ca 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.68 1ivo h ALA 25 Cb 2.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.79 1ivo h ALA 25 CO -0.08 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1ivo n LEU 26 N -4.28 0.84 -3.12 0.00 4.77 0.14 -5.04 117.00 110.31 1ivo n LEU 26 Ca -0.01 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 55.01 1ivo n LEU 26 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1ivo n LEU 26 CO 0.32 0.21 0.05 -0.67 -1.33 0.00 0.00 177.39 175.97 1ivo n ASP 27 N -0.10 -7.18 -3.55 -1.43 4.64 0.20 -5.02 116.55 104.10 1ivo n ASP 27 Ca 0.00 0.09 -0.07 0.00 -1.38 0.00 0.00 54.79 53.42 1ivo n ASP 27 Cb 0.17 -4.37 -0.02 0.00 -1.04 0.00 0.00 41.12 35.86 1ivo n ASP 27 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1ivo s LYS 28 N -2.95 0.86 0.29 -0.67 3.01 -1.20 -5.01 119.74 114.07 1ivo s LYS 28 Ca 0.17 -0.36 0.09 0.00 -1.01 0.00 0.00 55.97 54.87 1ivo s LYS 28 Cb -0.04 0.37 -0.04 0.00 -1.01 0.00 0.00 37.83 37.11 1ivo s LYS 28 CO 0.80 -0.38 0.03 0.71 0.51 0.00 0.00 175.35 177.01 1ivo s TYR 29 N -3.12 2.69 0.11 3.18 1.51 -1.26 0.46 117.35 120.92 1ivo s TYR 29 Ca 0.07 -0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 55.60 1ivo s TYR 29 Cb -0.01 -1.31 0.08 0.00 -0.11 0.00 0.00 41.96 40.61 1ivo s TYR 29 CO -0.07 0.55 1.07 0.00 -1.11 0.00 0.00 175.55 176.00 1ivo s ALA 30 N -2.36 -1.83 0.09 3.71 0.00 -0.90 -4.90 121.76 115.58 1ivo s ALA 30 Ca 0.33 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1ivo s ALA 30 Cb -0.05 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1ivo s ALA 30 CO 0.20 -1.06 -0.06 0.00 0.00 0.00 0.00 175.76 174.85 1ivo n ASN 32 N 0.70 4.80 -4.61 0.00 4.05 0.09 -4.96 115.26 115.33 1ivo n ASN 32 Ca -0.13 -3.33 -0.38 0.00 0.45 0.00 0.00 54.58 51.20 1ivo n ASN 32 Cb 0.52 -1.00 0.05 0.00 1.23 0.00 0.00 39.78 40.58 1ivo n ASN 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ivo s VAL 34 N -1.50 2.39 0.26 0.00 1.01 -1.26 -4.90 120.40 116.40 1ivo s VAL 34 Ca 0.74 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.56 1ivo s VAL 34 Cb -0.43 -2.48 -0.11 0.00 0.00 0.00 0.00 36.38 33.35 1ivo s VAL 34 CO 0.49 -0.14 1.63 -0.69 0.00 0.00 0.00 175.10 176.39 1ivo s VAL 35 N -2.41 2.08 0.00 2.92 1.01 -1.26 -2.60 120.40 120.14 1ivo s VAL 35 Ca 0.69 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1ivo s VAL 35 Cb -0.24 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1ivo s VAL 35 CO 0.52 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1ivo n GLY 36 N 2.74 0.24 3.21 4.51 0.00 -1.26 -5.07 105.19 109.56 1ivo n GLY 36 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ivo n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ivo s TYR 37 N -2.00 2.04 0.32 1.61 1.51 -1.07 -2.31 117.35 117.45 1ivo s TYR 37 Ca 0.00 -0.56 0.11 0.00 -1.01 0.00 0.00 57.07 55.61 1ivo s TYR 37 Cb 0.00 -1.35 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 1ivo s TYR 37 CO 0.00 -0.16 -0.14 -1.50 -1.11 0.00 0.00 175.55 172.64 1ivo s ILE 38 N -0.15 2.36 0.00 2.71 2.07 -0.90 -4.71 121.20 122.58 1ivo s ILE 38 Ca -0.01 -2.29 0.00 0.00 -1.41 0.00 0.00 60.65 56.94 1ivo s ILE 38 Cb -0.12 -2.50 0.00 0.00 0.13 0.00 0.00 42.46 39.97 1ivo s ILE 38 CO 0.02 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.37 1ivo n GLY 39 N -0.72 3.15 0.47 1.50 0.00 -1.26 -2.75 105.19 105.58 1ivo n GLY 39 Ca -0.05 -1.70 0.28 0.00 0.00 0.00 0.00 46.02 44.55 1ivo n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ivo h GLU 40 N 0.00 0.00 0.00 1.61 4.81 -2.00 0.74 114.58 119.74 1ivo h GLU 40 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1ivo h GLU 40 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 1ivo h GLU 40 CO 0.00 0.00 -0.57 0.54 -0.73 0.00 0.00 179.01 178.25 1ivo n ARG 41 N -3.93 0.86 -1.43 1.92 1.74 -1.26 -4.37 116.66 110.19 1ivo n ARG 41 Ca 0.18 -2.50 -0.14 0.00 -0.77 0.00 0.00 57.85 54.62 1ivo n ARG 41 Cb 1.01 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 31.41 1ivo n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ivo h GLN 43 N 0.00 0.00 -6.38 0.00 -0.00 -1.79 -3.43 115.11 103.51 1ivo h GLN 43 Ca -0.28 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.75 1ivo h GLN 43 Cb 0.91 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 28.26 1ivo h GLN 43 CO 0.41 0.00 -0.70 0.71 -0.00 0.00 0.00 178.83 179.25 1ivo s TYR 44 N -4.87 2.66 -0.32 0.06 4.12 -1.11 -5.04 117.35 112.85 1ivo s TYR 44 Ca -0.05 -0.21 -0.11 0.00 0.02 0.00 0.00 57.07 56.71 1ivo s TYR 44 Cb 0.17 -1.28 -0.02 0.00 -1.52 0.00 0.00 41.96 39.32 1ivo s TYR 44 CO 0.63 0.54 0.20 0.50 0.02 0.00 0.00 175.55 177.44 1ivo s ARG 45 N -3.00 3.51 -0.55 -0.62 6.06 -1.26 -2.11 118.95 120.97 1ivo s ARG 45 Ca 0.26 -0.62 -0.15 0.00 -2.50 0.00 0.00 55.73 52.72 1ivo s ARG 45 Cb -0.08 -3.70 -0.14 0.00 0.06 0.00 0.00 34.95 31.09 1ivo s ARG 45 CO 0.16 -0.39 1.58 -3.47 -2.50 0.00 0.00 175.30 170.68 1ivo n ASP 46 N 5.06 -0.10 0.00 -2.12 -0.08 -0.98 -4.76 116.55 113.57 1ivo n ASP 46 Ca -0.13 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1ivo n ASP 46 Cb 0.50 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1ivo n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ivo n LEU 47 N 12.64 0.00 -4.53 -2.67 4.77 -1.26 -4.04 117.00 121.91 1ivo n LEU 47 Ca 0.23 0.75 -0.20 0.00 -0.03 0.00 0.00 56.01 56.76 1ivo n LEU 47 Cb 0.47 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1ivo n LEU 47 CO 0.57 -0.25 1.65 2.29 -1.33 0.00 0.00 177.39 180.33 1ivo n LYS 48 N -1.83 0.37 0.00 3.23 2.85 -1.26 -3.53 118.16 117.99 1ivo n LYS 48 Ca 0.00 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 1ivo n LYS 48 Cb 0.00 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 31.77 1ivo n LYS 48 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1ivo n TRP 49 N 13.45 0.00 -3.72 5.58 5.03 -1.26 -5.16 117.44 131.36 1ivo n TRP 49 Ca 0.55 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.98 1ivo n TRP 49 Cb 0.32 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.54 1ivo n TRP 49 CO 0.00 0.00 0.00 1.67 -0.03 0.00 0.00 177.69 179.33 1ivo s TRP 50 N 0.00 -0.06 0.00 -5.99 -2.14 -1.23 -5.25 118.94 104.27 1ivo s TRP 50 Ca 0.00 -0.30 0.00 0.00 2.66 0.00 0.00 56.10 58.46 1ivo s TRP 50 Cb 0.00 0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 1ivo s TRP 50 CO 0.00 -0.64 0.00 0.39 -2.66 0.00 0.00 176.95 174.04