#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s LYS 2 N 0.00 4.30 0.00 0.03 1.02 -1.26 -4.62 119.74 119.21 3kcr s LYS 2 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.11 3kcr s LYS 2 Cb 0.00 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3kcr s LYS 2 CO 0.00 -0.47 0.00 0.28 -0.92 0.00 0.00 175.35 174.24 3kcr n VAL 3 N 3.95 0.00 0.00 3.17 0.31 -1.26 -0.76 118.33 123.74 3kcr n VAL 3 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3kcr n VAL 3 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3kcr n VAL 3 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kcr n ARG 4 N 0.00 0.00 -0.03 5.55 1.74 -1.26 -3.19 116.66 119.48 3kcr n ARG 4 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3kcr n ARG 4 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.49 3kcr n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kcr n ALA 5 N -1.13 2.09 -2.48 7.54 0.00 -1.26 -3.75 120.51 121.51 3kcr n ALA 5 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 53.44 51.76 3kcr n ALA 5 Cb 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 3kcr n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kcr s SER 6 N -1.68 0.17 0.00 0.00 1.04 -1.23 -4.75 113.70 107.24 3kcr s SER 6 Ca 0.12 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3kcr s SER 6 Cb 0.10 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3kcr s SER 6 CO 0.01 -0.78 0.00 0.52 0.98 0.00 0.00 173.24 173.97 3kcr n VAL 7 N -0.11 0.00 -1.03 5.02 0.31 -1.26 -4.27 118.33 116.99 3kcr n VAL 7 Ca -0.10 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.37 3kcr n VAL 7 Cb 0.63 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.52 3kcr n VAL 7 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kcr n LYS 8 N 0.00 -2.14 -1.54 5.55 5.02 -1.26 -4.97 118.16 118.82 3kcr n LYS 8 Ca 0.00 1.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.79 3kcr n LYS 8 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 3kcr n LYS 8 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3kcr n LYS 9 N -3.52 1.87 0.01 1.97 2.85 -1.26 -4.77 118.16 115.31 3kcr n LYS 9 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3kcr n LYS 9 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 3kcr n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3kcr n LEU 10 N 0.00 0.15 0.00 -5.58 4.77 -1.26 -5.12 117.00 109.96 3kcr n LEU 10 Ca 0.00 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3kcr n LEU 10 Cb 0.00 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3kcr n LEU 10 CO 0.00 -0.24 0.66 0.00 -1.33 0.00 0.00 177.39 176.48 3kcr h ARG 12 N 0.00 0.72 -0.26 0.00 0.11 -2.02 -1.90 114.38 111.04 3kcr h ARG 12 Ca -0.30 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 59.57 3kcr h ARG 12 Cb 1.20 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 3kcr h ARG 12 CO 0.39 0.48 -0.52 -0.91 0.10 0.00 0.00 179.97 179.51 3kcr h ASN 13 N 0.75 0.81 -3.70 0.08 2.35 -2.01 -3.44 115.58 110.42 3kcr h ASN 13 Ca 0.45 -0.42 -0.53 0.00 -0.55 0.00 0.00 56.30 55.25 3kcr h ASN 13 Cb 0.52 -0.23 0.08 0.00 0.05 0.00 0.00 38.32 38.74 3kcr h ASN 13 CO -0.30 1.18 0.73 0.00 -1.65 0.00 0.00 177.43 177.39 3kcr n LYS 15 N 1.28 0.43 -0.89 0.00 4.81 -0.68 -4.63 118.16 118.48 3kcr n LYS 15 Ca 0.03 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3kcr n LYS 15 Cb 0.40 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.20 3kcr n LYS 15 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3kcr n ILE 16 N -4.21 -4.15 -3.85 3.15 5.41 0.11 -4.90 119.36 110.93 3kcr n ILE 16 Ca -0.11 0.63 -0.12 0.00 1.00 0.00 0.00 62.75 64.15 3kcr n ILE 16 Cb 0.42 -2.87 -0.12 0.00 -0.71 0.00 0.00 39.64 36.37 3kcr n ILE 16 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3kcr s VAL 17 N -0.10 0.03 0.18 1.39 1.01 -1.23 -4.68 120.40 117.00 3kcr s VAL 17 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 3kcr s VAL 17 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3kcr s VAL 17 CO 0.00 -0.14 0.08 -1.59 0.00 0.00 0.00 175.10 173.45 3kcr s LYS 18 N -0.43 1.13 0.03 2.72 -2.85 -1.25 -3.77 119.74 115.32 3kcr s LYS 18 Ca -0.05 -1.57 -0.03 0.00 -1.00 0.00 0.00 55.97 53.32 3kcr s LYS 18 Cb -0.03 0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.79 3kcr s LYS 18 CO 0.00 -0.28 0.03 1.03 0.10 0.00 0.00 175.35 176.23 3kcr s ARG 19 N -4.06 0.48 1.43 1.78 0.52 -1.26 -5.02 118.95 112.83 3kcr s ARG 19 Ca 0.31 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 3kcr s ARG 19 Cb 0.07 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.72 3kcr s ARG 19 CO 0.07 -0.10 0.00 -0.25 0.02 0.00 0.00 175.30 175.04 3kcr n ASP 20 N 0.99 -4.27 0.00 0.23 8.00 -1.26 -4.39 116.55 115.86 3kcr n ASP 20 Ca -0.20 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.45 3kcr n ASP 20 Cb 0.57 0.00 0.87 0.00 -0.02 0.00 0.00 41.12 42.55 3kcr n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kcr n GLY 21 N 0.00 -1.05 3.90 0.44 0.00 -1.26 -4.71 105.19 102.52 3kcr n GLY 21 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3kcr n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcr s VAL 22 N -2.15 4.95 -0.11 1.61 -7.23 -1.26 -5.11 120.40 111.10 3kcr s VAL 22 Ca 0.42 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3kcr s VAL 22 Cb 0.21 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 3kcr s VAL 22 CO 0.38 -0.26 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.22 3kcr s ILE 23 N -1.95 3.70 -0.02 -0.62 1.09 -1.26 -4.55 121.20 117.59 3kcr s ILE 23 Ca 0.33 -0.45 -0.08 0.00 -1.10 0.00 0.00 60.65 59.35 3kcr s ILE 23 Cb -0.09 -2.56 0.01 0.00 -1.06 0.00 0.00 42.46 38.76 3kcr s ILE 23 CO 0.27 0.55 0.17 -0.13 -0.10 0.00 0.00 174.94 175.71 3kcr s ARG 24 N -0.27 0.42 0.01 2.79 0.52 -1.26 -2.12 118.95 119.04 3kcr s ARG 24 Ca 0.04 -0.17 0.06 0.00 -0.52 0.00 0.00 55.73 55.14 3kcr s ARG 24 Cb -0.13 0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.49 3kcr s ARG 24 CO 0.02 -0.09 -0.17 0.54 0.02 0.00 0.00 175.30 175.62 3kcr s VAL 25 N -0.90 2.82 0.06 3.52 0.11 -1.25 -3.53 120.40 121.23 3kcr s VAL 25 Ca -0.10 -1.04 0.08 0.00 -2.93 0.00 0.00 61.98 57.99 3kcr s VAL 25 Cb -0.05 -2.15 -0.03 0.00 -1.53 0.00 0.00 36.38 32.62 3kcr s VAL 25 CO 0.01 0.43 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.36 3kcr s ILE 26 N -0.85 1.80 -0.08 7.04 -1.09 -1.25 -0.93 121.20 125.85 3kcr s ILE 26 Ca 0.13 -1.33 0.05 0.00 -2.23 0.00 0.00 60.65 57.27 3kcr s ILE 26 Cb -0.10 -1.57 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 3kcr s ILE 26 CO 0.03 0.18 -0.24 0.00 -1.23 0.00 0.00 174.94 173.68 3kcr h SER 28 N 6.32 0.62 -0.57 0.00 4.64 -1.89 -2.43 113.55 120.22 3kcr h SER 28 Ca -0.27 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3kcr h SER 28 Cb 1.20 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 3kcr h SER 28 CO 0.48 0.55 0.30 0.00 -0.87 0.00 0.00 176.83 177.28 3kcr h ALA 29 N 1.09 1.39 -3.06 5.18 0.00 -1.95 -3.39 119.26 118.52 3kcr h ALA 29 Ca 0.17 -0.12 -0.70 0.00 0.00 0.00 0.00 54.91 54.26 3kcr h ALA 29 Cb 0.08 -0.25 -0.28 0.00 0.00 0.00 0.00 17.79 17.34 3kcr h ALA 29 CO -0.02 0.48 -0.57 -1.21 0.00 0.00 0.00 179.25 177.93 3kcr s GLU 30 N -5.50 2.60 0.26 0.00 2.02 -0.92 -4.92 118.70 112.24 3kcr s GLU 30 Ca -0.10 -1.26 0.11 0.00 0.02 0.00 0.00 54.97 53.74 3kcr s GLU 30 Cb 0.17 -3.55 0.29 0.00 0.10 0.00 0.00 34.13 31.14 3kcr s GLU 30 CO 0.78 -0.74 1.57 -1.00 0.02 0.00 0.00 175.26 175.89 3kcr h PRO 31 N 8.26 0.00 0.00 0.39 0.13 -1.77 0.01 132.00 139.02 3kcr h PRO 31 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3kcr h PRO 31 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3kcr h PRO 31 CO 0.64 0.66 0.00 0.36 -0.23 0.00 0.00 178.00 179.43 3kcr n LYS 32 N -3.71 0.00 0.00 0.86 2.85 -1.26 -2.83 118.16 114.07 3kcr n LYS 32 Ca -0.01 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.81 3kcr n LYS 32 Cb 0.66 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.77 3kcr n LYS 32 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 3kcr n HIS 33 N -1.48 0.00 -2.35 5.58 -0.00 -0.01 -4.84 115.22 112.12 3kcr n HIS 33 Ca 0.01 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.76 3kcr n HIS 33 Cb 0.02 -0.12 -0.03 0.00 -0.12 0.00 0.00 29.99 29.75 3kcr n HIS 33 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3kcr s LYS 34 N -2.67 4.31 0.02 1.57 1.02 -1.13 -3.88 119.74 118.98 3kcr s LYS 34 Ca 0.19 1.81 0.08 0.00 0.02 0.00 0.00 55.97 58.06 3kcr s LYS 34 Cb 0.18 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3kcr s LYS 34 CO 0.61 -0.52 -0.24 -1.14 -0.92 0.00 0.00 175.35 173.13 3kcr s GLN 35 N 2.40 1.79 -0.02 1.68 0.74 -0.11 -4.51 119.66 121.63 3kcr s GLN 35 Ca 0.59 -0.98 -0.16 0.00 0.05 0.00 0.00 55.36 54.87 3kcr s GLN 35 Cb -0.28 -1.86 -0.33 0.00 1.10 0.00 0.00 33.01 31.65 3kcr s GLN 35 CO 0.24 0.49 0.83 -0.09 -0.55 0.00 0.00 175.29 176.21 3kcr h ARG 36 N 5.10 0.43 -2.88 1.67 2.43 -1.40 -3.39 114.38 116.34 3kcr h ARG 36 Ca -0.44 -0.73 0.07 0.00 -0.81 0.00 0.00 59.98 58.07 3kcr h ARG 36 Cb 1.14 0.27 -0.07 0.00 -0.42 0.00 0.00 29.97 30.89 3kcr h ARG 36 CO 0.45 1.35 0.27 1.14 -1.51 0.00 0.00 179.97 181.67 3kcr s GLN 37 N -2.55 1.56 0.00 0.20 -2.07 0.06 -4.64 119.66 112.22 3kcr s GLN 37 Ca -0.13 -0.81 0.00 0.00 -1.82 0.00 0.00 55.36 52.60 3kcr s GLN 37 Cb 0.04 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 3kcr s GLN 37 CO 0.88 -0.71 0.00 0.41 -1.32 0.00 0.00 175.29 174.55