#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n ILE 4 N 0.00 0.00 -3.79 -0.61 5.41 -1.26 -5.18 119.36 113.92 3kcr n ILE 4 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3kcr n ILE 4 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 3kcr n ILE 4 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3kcr s ARG 5 N 0.00 1.68 0.08 0.38 1.81 -1.26 -4.89 118.95 116.75 3kcr s ARG 5 Ca 0.00 -0.92 -0.15 0.00 -1.72 0.00 0.00 55.73 52.95 3kcr s ARG 5 Cb 0.00 0.59 -0.06 0.00 -0.45 0.00 0.00 34.95 35.03 3kcr s ARG 5 CO 0.00 -0.76 0.49 -1.21 -0.68 0.00 0.00 175.30 173.14 3kcr s GLU 6 N -3.90 3.97 0.55 3.54 0.41 -0.69 -4.80 118.70 117.78 3kcr s GLU 6 Ca 0.10 0.47 -0.15 0.00 -0.41 0.00 0.00 54.97 54.98 3kcr s GLU 6 Cb -0.05 -3.08 -0.07 0.00 -1.78 0.00 0.00 34.13 29.16 3kcr s GLU 6 CO 0.04 0.58 1.00 0.15 -0.49 0.00 0.00 175.26 176.54 3kcr s LYS 7 N -1.56 3.82 0.03 1.61 1.02 -1.26 -0.11 119.74 123.30 3kcr s LYS 7 Ca 0.32 0.92 -0.16 0.00 0.02 0.00 0.00 55.97 57.07 3kcr s LYS 7 Cb -0.16 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 3kcr s LYS 7 CO 0.17 -0.38 0.36 0.96 -0.92 0.00 0.00 175.35 175.54 3kcr s ILE 8 N -2.75 0.07 -0.13 2.17 -4.36 0.48 -4.78 121.20 111.90 3kcr s ILE 8 Ca 0.58 -0.55 -0.05 0.00 -0.26 0.00 0.00 60.65 60.37 3kcr s ILE 8 Cb -0.11 -0.91 0.06 0.00 1.25 0.00 0.00 42.46 42.76 3kcr s ILE 8 CO 0.37 -0.30 0.28 -0.54 0.24 0.00 0.00 174.94 174.99 3kcr s LYS 9 N -2.34 0.20 -0.31 0.37 1.02 -1.26 -1.90 119.74 115.52 3kcr s LYS 9 Ca -0.06 0.70 -0.11 0.00 0.02 0.00 0.00 55.97 56.51 3kcr s LYS 9 Cb -0.01 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 3kcr s LYS 9 CO -0.02 -0.23 0.20 -0.51 -0.92 0.00 0.00 175.35 173.86 3kcr s LEU 10 N 1.98 4.18 0.42 3.17 1.43 -1.26 -1.62 118.68 126.98 3kcr s LEU 10 Ca -0.03 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 3kcr s LEU 10 Cb -0.11 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 3kcr s LEU 10 CO -0.09 -0.14 0.85 0.68 0.23 0.00 0.00 176.35 177.88 3kcr s VAL 11 N 1.71 4.61 0.39 -1.59 -7.23 -1.08 -4.65 120.40 112.57 3kcr s VAL 11 Ca 0.06 1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 61.01 3kcr s VAL 11 Cb -0.17 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.02 3kcr s VAL 11 CO 0.10 -0.44 1.16 -0.44 -0.31 0.00 0.00 175.10 175.16 3kcr s SER 12 N -2.72 6.62 0.06 4.85 0.01 -1.26 -1.12 113.70 120.15 3kcr s SER 12 Ca 0.56 2.33 0.00 0.00 1.31 0.00 0.00 55.95 60.15 3kcr s SER 12 Cb -0.10 -2.61 0.13 0.00 0.21 0.00 0.00 66.02 63.65 3kcr s SER 12 CO 0.24 -0.60 0.29 -1.54 0.41 0.00 0.00 173.24 172.04 3kcr n SER 13 N 0.20 -0.03 -0.04 2.44 3.41 0.25 -1.87 113.62 117.98 3kcr n SER 13 Ca 0.04 0.31 -0.02 0.00 -0.26 0.00 0.00 58.87 58.94 3kcr n SER 13 Cb 0.46 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3kcr n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcr h ALA 14 N 0.37 0.00 0.00 7.33 0.00 -1.92 -3.50 119.26 121.54 3kcr h ALA 14 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kcr h ALA 14 Cb 0.21 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kcr h ALA 14 CO -0.18 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3kcr n GLY 15 N 1.69 -1.42 3.74 0.00 0.00 -0.78 -5.12 105.19 103.30 3kcr n GLY 15 Ca -0.03 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 3kcr n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kcr s THR 16 N -3.42 0.00 -1.73 2.61 -1.32 -1.26 -5.01 115.64 105.50 3kcr s THR 16 Ca 0.00 -1.16 0.20 0.00 -1.21 0.00 0.00 61.69 59.52 3kcr s THR 16 Cb 0.00 -2.45 0.64 0.00 -1.51 0.00 0.00 72.50 69.17 3kcr s THR 16 CO 0.00 0.00 1.53 0.61 -2.21 0.00 0.00 174.62 174.55 3kcr n GLY 17 N -0.49 2.34 3.73 6.08 0.00 -1.26 -4.63 105.19 110.97 3kcr n GLY 17 Ca -0.04 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 3kcr n GLY 17 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kcr s HIS 18 N -1.32 2.12 -0.00 1.61 4.02 -1.26 -5.01 115.29 115.44 3kcr s HIS 18 Ca 0.47 1.47 0.05 0.00 1.02 0.00 0.00 55.06 58.07 3kcr s HIS 18 Cb 0.26 -3.71 -0.01 0.00 -1.02 0.00 0.00 32.58 28.10 3kcr s HIS 18 CO 0.29 -2.90 -0.17 -0.06 1.02 0.00 0.00 174.74 172.92 3kcr s PHE 19 N -1.38 1.49 -0.36 1.40 0.08 -1.26 -5.08 117.98 112.86 3kcr s PHE 19 Ca 0.81 -0.29 -0.19 0.00 0.12 0.00 0.00 56.93 57.38 3kcr s PHE 19 Cb -0.38 -0.95 -0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3kcr s PHE 19 CO 0.41 -0.01 0.55 0.71 -0.10 0.00 0.00 175.22 176.78 3kcr s TYR 20 N -0.46 3.17 -0.14 0.36 4.12 -1.26 -5.05 117.35 118.09 3kcr s TYR 20 Ca 0.06 0.21 0.01 0.00 0.02 0.00 0.00 57.07 57.37 3kcr s TYR 20 Cb -0.07 -3.01 -0.00 0.00 -1.52 0.00 0.00 41.96 37.36 3kcr s TYR 20 CO -0.00 -0.58 -0.17 0.99 0.02 0.00 0.00 175.55 175.80 3kcr s THR 21 N 2.50 2.57 0.34 -0.71 2.01 -1.26 -4.11 115.64 116.97 3kcr s THR 21 Ca 0.20 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 3kcr s THR 21 Cb -0.15 -2.06 0.06 0.00 0.01 0.00 0.00 72.50 70.37 3kcr s THR 21 CO 0.14 0.53 0.87 0.28 -0.69 0.00 0.00 174.62 175.74 3kcr s THR 22 N 0.60 0.00 0.49 -0.82 -1.32 -0.80 -5.04 115.64 108.75 3kcr s THR 22 Ca -0.10 -0.88 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 3kcr s THR 22 Cb -0.16 -2.96 -0.01 0.00 -1.51 0.00 0.00 72.50 67.86 3kcr s THR 22 CO 0.03 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 172.91 3kcr s THR 23 N -2.14 0.87 0.00 5.08 -4.23 -1.26 -0.39 115.64 113.57 3kcr s THR 23 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3kcr s THR 23 Cb -0.04 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3kcr s THR 23 CO 0.10 0.00 0.00 1.17 -0.54 0.00 0.00 174.62 175.35 3kcr n LYS 24 N -1.19 0.00 -1.92 3.99 3.00 0.85 -4.73 118.16 118.15 3kcr n LYS 24 Ca -0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.73 3kcr n LYS 24 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.66 3kcr n LYS 24 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3kcr s ASN 25 N 0.00 5.57 -0.03 3.14 3.84 -1.26 -1.71 114.94 124.48 3kcr s ASN 25 Ca 0.00 1.14 0.05 0.00 0.21 0.00 0.00 52.86 54.26 3kcr s ASN 25 Cb 0.00 -2.52 0.08 0.00 -0.55 0.00 0.00 41.25 38.25 3kcr s ASN 25 CO 0.00 -2.00 0.96 2.29 -2.79 0.00 0.00 177.10 175.56 3kcr n LYS 26 N 8.68 1.77 -0.15 0.43 2.85 -1.26 -3.76 118.16 126.73 3kcr n LYS 26 Ca 0.24 -1.57 -0.09 0.00 -1.05 0.00 0.00 58.31 55.84 3kcr n LYS 26 Cb 0.48 -1.00 -0.00 0.00 -0.65 0.00 0.00 35.03 33.86 3kcr n LYS 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kcr h ARG 27 N 0.00 0.65 -0.10 -1.58 3.08 -1.98 -2.71 114.38 111.74 3kcr h ARG 27 Ca 0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3kcr h ARG 27 Cb 0.80 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3kcr h ARG 27 CO 0.00 0.62 -0.04 1.79 -1.07 0.00 0.00 179.97 181.28 3kcr h THR 28 N 0.54 1.31 -2.72 2.04 1.35 -1.96 -3.40 112.91 110.07 3kcr h THR 28 Ca 0.14 -1.02 -0.58 0.00 -0.55 0.00 0.00 66.41 64.40 3kcr h THR 28 Cb 0.23 1.77 -0.39 0.00 -1.73 0.00 0.00 68.15 68.03 3kcr h THR 28 CO -0.01 0.29 -0.81 -0.54 -0.25 0.00 0.00 175.52 174.20 3kcr s LYS 29 N -4.64 0.63 -0.09 4.72 1.02 -1.24 -5.09 119.74 115.05 3kcr s LYS 29 Ca -0.15 -1.30 -0.34 0.00 0.02 0.00 0.00 55.97 54.21 3kcr s LYS 29 Cb 0.04 -1.50 -0.11 0.00 -0.52 0.00 0.00 37.83 35.74 3kcr s LYS 29 CO 0.71 -1.16 1.92 -2.30 -0.92 0.00 0.00 175.35 173.61 3kcr n PRO 30 N 4.20 2.20 -3.47 -1.68 -0.02 -1.02 -4.38 135.00 130.83 3kcr n PRO 30 Ca 0.08 0.80 -0.11 0.00 -2.02 0.00 0.00 63.50 62.25 3kcr n PRO 30 Cb 0.38 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.13 3kcr n PRO 30 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kcr s GLU 31 N 4.33 1.21 -0.14 -0.52 2.02 -1.26 -5.11 118.70 119.22 3kcr s GLU 31 Ca 0.93 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 55.45 3kcr s GLU 31 Cb -0.66 0.54 0.04 0.00 0.10 0.00 0.00 34.13 34.15 3kcr s GLU 31 CO 0.50 -0.53 -0.05 0.15 0.02 0.00 0.00 175.26 175.35 3kcr s LYS 32 N -3.62 1.32 -0.21 1.61 -0.14 -1.26 -4.87 119.74 112.57 3kcr s LYS 32 Ca 0.03 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 53.98 3kcr s LYS 32 Cb -0.01 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.34 3kcr s LYS 32 CO -0.11 -0.38 1.41 -0.51 -0.76 0.00 0.00 175.35 175.00 3kcr s LEU 33 N 1.71 4.02 -0.11 3.17 1.43 -0.74 -4.78 118.68 123.37 3kcr s LEU 33 Ca 0.02 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 3kcr s LEU 33 Cb -0.14 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3kcr s LEU 33 CO -0.08 -1.01 -0.10 -0.70 0.23 0.00 0.00 176.35 174.69 3kcr s GLU 34 N 4.08 1.78 0.00 1.70 -6.30 -1.25 -4.06 118.70 114.66 3kcr s GLU 34 Ca 0.62 -0.37 0.00 0.00 -2.50 0.00 0.00 54.97 52.71 3kcr s GLU 34 Cb -0.22 -1.70 0.00 0.00 0.00 0.00 0.00 34.13 32.21 3kcr s GLU 34 CO 0.23 -0.20 0.00 1.47 0.02 0.00 0.00 175.26 176.78 3kcr n LEU 35 N 4.68 0.00 -0.86 2.70 -0.00 -1.25 -5.02 117.00 117.25 3kcr n LEU 35 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 3kcr n LEU 35 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 3kcr n LEU 35 CO 0.20 0.00 -0.25 0.29 -0.00 0.00 0.00 177.39 177.63 3kcr n LYS 36 N 0.00 -2.41 -4.00 1.47 5.02 -1.26 -4.96 118.16 112.02 3kcr n LYS 36 Ca 0.00 1.81 -0.10 0.00 -2.02 0.00 0.00 58.31 58.01 3kcr n LYS 36 Cb 0.00 -2.09 -0.07 0.00 -0.02 0.00 0.00 35.03 32.84 3kcr n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kcr s LYS 37 N -4.77 1.17 -0.00 1.97 1.02 -0.28 -4.83 119.74 114.01 3kcr s LYS 37 Ca 0.00 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.45 3kcr s LYS 37 Cb 0.00 0.36 -0.07 0.00 -0.52 0.00 0.00 37.83 37.60 3kcr s LYS 37 CO 0.00 -0.42 1.70 0.12 -0.92 0.00 0.00 175.35 175.82 3kcr s PHE 38 N -3.99 2.01 -0.27 3.18 5.36 -1.26 -1.68 117.98 121.32 3kcr s PHE 38 Ca 0.20 0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 56.18 3kcr s PHE 38 Cb 0.04 -3.98 -0.04 0.00 -0.34 0.00 0.00 43.02 38.70 3kcr s PHE 38 CO 0.02 -4.10 0.26 0.34 -1.46 0.00 0.00 175.22 170.28 3kcr s ASP 39 N 3.21 6.11 0.00 6.13 -1.08 -0.17 -4.95 116.67 125.93 3kcr s ASP 39 Ca 0.76 0.11 0.29 0.00 -0.52 0.00 0.00 52.55 53.18 3kcr s ASP 39 Cb -0.37 -2.16 1.19 0.00 -1.46 0.00 0.00 42.92 40.13 3kcr s ASP 39 CO 0.32 -0.10 1.88 -0.81 0.52 0.00 0.00 175.17 176.98 3kcr n PRO 40 N 5.15 0.16 -0.06 4.34 -0.04 -1.26 -1.81 135.00 141.48 3kcr n PRO 40 Ca -0.12 -0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 3kcr n PRO 40 Cb 0.51 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 3kcr n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kcr h VAL 41 N 0.06 1.42 0.00 0.52 2.07 -1.95 -3.22 116.25 115.16 3kcr h VAL 41 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3kcr h VAL 41 Cb 0.44 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3kcr h VAL 41 CO 0.00 0.54 -0.17 -0.37 0.02 0.00 0.00 177.57 177.59 3kcr h VAL 42 N -0.87 0.00 -6.01 2.57 -1.51 -2.02 -3.47 116.25 104.95 3kcr h VAL 42 Ca -0.15 -0.59 -0.41 0.00 -1.23 0.00 0.00 66.70 64.33 3kcr h VAL 42 Cb 1.23 1.48 0.07 0.00 -2.13 0.00 0.00 31.29 31.95 3kcr h VAL 42 CO -0.04 0.00 -0.79 0.54 -1.23 0.00 0.00 177.57 176.05 3kcr n ARG 43 N -2.39 -5.70 -4.11 5.19 1.74 -0.82 -4.99 116.66 105.58 3kcr n ARG 43 Ca 0.05 0.69 -0.12 0.00 -0.77 0.00 0.00 57.85 57.69 3kcr n ARG 43 Cb 0.45 -5.45 -0.11 0.00 -1.02 0.00 0.00 32.46 26.33 3kcr n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3kcr s GLN 44 N -5.99 0.66 -0.18 5.56 0.74 -0.75 -5.00 119.66 114.70 3kcr s GLN 44 Ca 0.18 -0.99 -0.22 0.00 0.05 0.00 0.00 55.36 54.37 3kcr s GLN 44 Cb -0.09 -0.28 -0.02 0.00 1.10 0.00 0.00 33.01 33.72 3kcr s GLN 44 CO 0.79 0.03 0.70 -1.58 -0.55 0.00 0.00 175.29 174.68 3kcr s HIS 45 N -2.25 3.41 0.27 1.67 5.65 -1.26 -1.00 115.29 121.78 3kcr s HIS 45 Ca -0.01 1.06 -0.16 0.00 0.25 0.00 0.00 55.06 56.19 3kcr s HIS 45 Cb -0.04 -2.86 0.01 0.00 -1.18 0.00 0.00 32.58 28.51 3kcr s HIS 45 CO -0.01 -0.17 0.60 0.54 -0.65 0.00 0.00 174.74 175.05 3kcr s VAL 46 N 1.87 0.00 0.48 0.89 0.11 -0.68 -4.91 120.40 118.16 3kcr s VAL 46 Ca 0.32 -1.21 -0.24 0.00 -2.93 0.00 0.00 61.98 57.92 3kcr s VAL 46 Cb -0.16 -2.18 -0.07 0.00 -1.53 0.00 0.00 36.38 32.44 3kcr s VAL 46 CO 0.12 0.00 1.37 0.27 -3.33 0.00 0.00 175.10 173.53 3kcr s ILE 47 N -3.83 2.20 -0.15 7.04 -4.36 -1.26 -1.13 121.20 119.72 3kcr s ILE 47 Ca 0.17 0.17 -0.01 0.00 -0.26 0.00 0.00 60.65 60.72 3kcr s ILE 47 Cb -0.03 -3.09 0.04 0.00 1.25 0.00 0.00 42.46 40.62 3kcr s ILE 47 CO 0.09 0.01 -0.02 -0.31 0.24 0.00 0.00 174.94 174.95 3kcr s TYR 48 N -1.27 1.27 0.01 1.37 2.02 -1.26 -0.58 117.35 118.91 3kcr s TYR 48 Ca 0.64 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3kcr s TYR 48 Cb -0.41 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 3kcr s TYR 48 CO 0.51 -0.54 0.01 1.63 -1.57 0.00 0.00 175.55 175.59 3kcr n LYS 49 N 4.99 1.22 0.00 -0.62 5.02 -0.27 -3.84 118.16 124.65 3kcr n LYS 49 Ca -0.10 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3kcr n LYS 49 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3kcr n LYS 49 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kcr n GLU 50 N -0.79 0.00 0.00 1.97 1.02 -1.26 -2.62 120.64 118.96 3kcr n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kcr n GLU 50 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 3kcr n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kcr n ALA 51 N 2.62 0.00 1.90 0.62 0.00 -1.09 -1.79 120.51 122.78 3kcr n ALA 51 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3kcr n ALA 51 Cb 0.00 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.31 3kcr n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86