#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 0.03 0.00 3.17 2.47 -1.26 -5.17 119.74 118.99 3kcr s LYS 2 Ca 0.00 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.76 3kcr s LYS 2 Cb 0.00 -0.24 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 3kcr s LYS 2 CO 0.00 -0.20 0.00 0.54 0.16 0.00 0.00 175.35 175.85 3kcr n ARG 3 N 4.48 2.87 -0.03 4.03 5.12 -1.26 -5.07 116.66 126.80 3kcr n ARG 3 Ca -0.21 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.72 3kcr n ARG 3 Cb 0.51 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.70 3kcr n ARG 3 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3kcr n THR 4 N -0.12 0.38 -5.18 0.55 5.66 -1.26 -4.85 114.28 109.46 3kcr n THR 4 Ca 0.00 -0.43 -0.30 0.00 -3.05 0.00 0.00 64.05 60.26 3kcr n THR 4 Cb 0.00 -0.16 -0.16 0.00 -1.55 0.00 0.00 70.33 68.46 3kcr n THR 4 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3kcr s PHE 5 N -2.74 2.26 0.05 1.09 2.19 -1.26 -5.12 117.98 114.45 3kcr s PHE 5 Ca -0.06 -0.42 -0.04 0.00 0.33 0.00 0.00 56.93 56.74 3kcr s PHE 5 Cb 0.07 -1.43 -0.02 0.00 -1.31 0.00 0.00 43.02 40.33 3kcr s PHE 5 CO 0.59 -0.00 0.05 -0.65 1.83 0.00 0.00 175.22 177.04 3kcr s GLN 6 N -0.74 0.60 0.25 10.12 1.11 -1.26 -5.13 119.66 124.61 3kcr s GLN 6 Ca 0.10 -0.92 -0.30 0.00 0.01 0.00 0.00 55.36 54.26 3kcr s GLN 6 Cb -0.10 0.22 -0.14 0.00 -1.01 0.00 0.00 33.01 31.98 3kcr s GLN 6 CO -0.00 -0.14 1.10 -2.30 0.01 0.00 0.00 175.29 173.96 3kcr n PRO 7 N 0.54 1.39 -3.70 2.91 -0.02 -1.26 -5.02 135.00 129.84 3kcr n PRO 7 Ca -0.17 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 3kcr n PRO 7 Cb 0.59 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 3kcr n PRO 7 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kcr s SER 8 N -0.32 -0.44 0.00 2.55 0.15 -1.26 -5.00 113.70 109.38 3kcr s SER 8 Ca 0.63 0.82 0.00 0.00 0.70 0.00 0.00 55.95 58.10 3kcr s SER 8 Cb -0.73 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 3kcr s SER 8 CO 0.57 -0.19 0.47 1.33 1.20 0.00 0.00 173.24 176.62 3kcr n VAL 9 N 4.31 0.00 -0.16 4.45 0.24 -1.26 -2.92 118.33 122.99 3kcr n VAL 9 Ca -0.23 -0.50 0.09 0.00 -2.04 0.00 0.00 64.34 61.66 3kcr n VAL 9 Cb 0.54 1.00 0.30 0.00 -1.47 0.00 0.00 33.84 34.21 3kcr n VAL 9 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kcr n LEU 10 N -0.06 3.80 0.00 1.34 4.77 -1.26 -3.77 117.00 121.82 3kcr n LEU 10 Ca 0.00 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 3kcr n LEU 10 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3kcr n LEU 10 CO 0.00 0.78 0.00 2.29 -1.33 0.00 0.00 177.39 179.13 3kcr n LYS 11 N 1.14 0.00 0.05 3.23 2.85 -1.26 -5.05 118.16 119.12 3kcr n LYS 11 Ca 0.22 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.33 3kcr n LYS 11 Cb 0.67 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.95 3kcr n LYS 11 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3kcr h ARG 12 N 0.00 -0.61 -0.21 -1.58 1.12 -1.62 0.46 114.38 111.94 3kcr h ARG 12 Ca 0.00 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 58.97 3kcr h ARG 12 Cb 0.00 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 3kcr h ARG 12 CO 0.00 -0.41 0.17 -0.91 -3.11 0.00 0.00 179.97 175.71 3kcr h ASN 13 N -0.63 0.00 -0.86 -3.80 2.35 -1.90 0.72 115.58 111.46 3kcr h ASN 13 Ca 0.01 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.17 3kcr h ASN 13 Cb 0.68 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.66 3kcr h ASN 13 CO -0.34 0.00 -0.30 0.54 -1.65 0.00 0.00 177.43 175.68 3kcr n ARG 14 N -4.20 3.33 0.00 0.81 1.74 -0.78 -0.01 116.66 117.55 3kcr n ARG 14 Ca 0.02 -3.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.19 3kcr n ARG 14 Cb 0.31 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 3kcr n ARG 14 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kcr n SER 15 N -0.76 3.01 0.00 0.55 7.64 0.15 -4.90 113.62 119.31 3kcr n SER 15 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 3kcr n SER 15 Cb 0.86 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 3kcr n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kcr n HIS 16 N -1.15 0.00 -0.56 1.43 1.44 -0.63 -4.87 115.22 110.88 3kcr n HIS 16 Ca 0.00 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 3kcr n HIS 16 Cb 0.15 0.11 0.25 0.00 0.12 0.00 0.00 29.99 30.61 3kcr n HIS 16 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kcr n GLY 17 N 0.00 -3.41 0.08 -1.39 0.00 0.98 -4.21 105.19 97.24 3kcr n GLY 17 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3kcr n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kcr h PHE 18 N -3.09 -0.06 -2.36 1.61 3.04 -1.95 0.11 116.94 114.24 3kcr h PHE 18 Ca -0.36 0.01 -0.80 0.00 3.98 0.00 0.00 57.97 60.80 3kcr h PHE 18 Cb 1.16 0.05 -0.25 0.00 2.56 0.00 0.00 35.95 39.47 3kcr h PHE 18 CO 0.00 -0.05 1.17 0.54 -2.02 0.00 0.00 178.31 177.95 3kcr n ARG 19 N -5.15 4.66 0.00 1.11 1.74 -1.26 -0.84 116.66 116.92 3kcr n ARG 19 Ca -0.04 -4.35 0.00 0.00 -0.77 0.00 0.00 57.85 52.68 3kcr n ARG 19 Cb 0.08 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 3kcr n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kcr n ALA 20 N 1.30 0.14 0.00 7.54 0.00 0.31 -4.73 120.51 125.07 3kcr n ALA 20 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3kcr n ALA 20 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3kcr n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kcr n ARG 21 N 0.00 3.77 -0.27 0.00 5.12 -0.69 -4.19 116.66 120.40 3kcr n ARG 21 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 3kcr n ARG 21 Cb 0.15 -0.41 0.06 0.00 -1.16 0.00 0.00 32.46 31.09 3kcr n ARG 21 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3kcr h MET 22 N 0.00 1.15 -0.99 5.56 2.86 -1.20 -1.42 114.93 120.88 3kcr h MET 22 Ca 0.00 -0.23 0.18 0.00 -2.06 0.00 0.00 59.70 57.59 3kcr h MET 22 Cb 0.00 -0.18 -0.10 0.00 0.06 0.00 0.00 31.60 31.39 3kcr h MET 22 CO 0.00 0.96 0.62 0.00 1.06 0.00 0.00 176.91 179.54 3kcr h ALA 23 N 1.14 1.71 -3.03 6.32 0.00 -1.81 -3.36 119.26 120.23 3kcr h ALA 23 Ca 0.25 0.06 -0.65 0.00 0.00 0.00 0.00 54.91 54.56 3kcr h ALA 23 Cb 0.26 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 3kcr h ALA 23 CO -0.01 -0.04 -0.56 -0.08 0.00 0.00 0.00 179.25 178.56 3kcr s THR 24 N -5.82 4.89 -0.09 0.00 -1.32 -1.23 -4.96 115.64 107.10 3kcr s THR 24 Ca -0.11 -0.30 0.16 0.00 -1.21 0.00 0.00 61.69 60.23 3kcr s THR 24 Cb 0.24 -3.22 0.09 0.00 -1.51 0.00 0.00 72.50 68.10 3kcr s THR 24 CO 0.80 0.38 1.52 0.07 -2.21 0.00 0.00 174.62 175.18 3kcr h LYS 25 N 4.19 0.00 -0.02 7.08 2.10 -1.81 0.71 116.57 128.82 3kcr h LYS 25 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3kcr h LYS 25 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3kcr h LYS 25 CO 0.63 0.46 -0.22 0.09 -2.00 0.00 0.00 179.45 178.40 3kcr n ASN 26 N -3.28 1.93 -0.26 7.07 3.02 -1.26 -0.81 115.26 121.66 3kcr n ASN 26 Ca 0.02 -1.48 0.04 0.00 -0.03 0.00 0.00 54.58 53.13 3kcr n ASN 26 Cb 0.68 0.19 0.01 0.00 -0.61 0.00 0.00 39.78 40.05 3kcr n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcr n GLY 27 N 1.34 -0.30 0.96 7.41 0.00 -1.10 -3.57 105.19 109.93 3kcr n GLY 27 Ca 0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3kcr n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr n ARG 28 N 0.01 2.28 -0.13 1.61 1.74 0.22 -2.78 116.66 119.62 3kcr n ARG 28 Ca 0.04 -1.90 -0.12 0.00 -0.77 0.00 0.00 57.85 55.10 3kcr n ARG 28 Cb 0.20 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3kcr n ARG 28 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3kcr h GLN 29 N 4.15 0.90 -0.56 5.56 4.20 -1.02 0.12 115.11 128.46 3kcr h GLN 29 Ca 0.00 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.32 3kcr h GLN 29 Cb 0.90 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.63 3kcr h GLN 29 CO 0.00 1.08 0.30 0.28 -0.67 0.00 0.00 178.83 179.82 3kcr h VAL 30 N 0.72 0.98 -0.00 -0.54 2.07 -1.67 0.30 116.25 118.11 3kcr h VAL 30 Ca 0.08 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kcr h VAL 30 Cb 0.86 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3kcr h VAL 30 CO 0.08 0.11 -0.21 0.18 0.02 0.00 0.00 177.57 177.75 3kcr n LEU 31 N -4.84 0.27 0.03 2.57 4.77 -1.19 -1.08 117.00 117.53 3kcr n LEU 31 Ca 0.06 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.23 3kcr n LEU 31 Cb 0.13 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 3kcr n LEU 31 CO 0.30 0.06 -0.28 0.00 -1.33 0.00 0.00 177.39 176.14 3kcr h ALA 32 N 3.12 0.67 -0.01 -1.18 0.00 0.71 -1.38 119.26 121.19 3kcr h ALA 32 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3kcr h ALA 32 Cb 0.47 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kcr h ALA 32 CO 0.00 1.11 -0.36 0.54 0.00 0.00 0.00 179.25 180.53 3kcr n ARG 33 N -2.98 0.91 -0.08 0.00 1.74 0.92 -2.60 116.66 114.56 3kcr n ARG 33 Ca -0.10 -0.63 0.03 0.00 -0.77 0.00 0.00 57.85 56.38 3kcr n ARG 33 Cb 0.90 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.93 3kcr n ARG 33 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kcr n ARG 34 N -0.49 2.20 -2.89 5.56 1.74 -0.24 -2.60 116.66 119.94 3kcr n ARG 34 Ca 0.11 -1.60 -0.29 0.00 -0.77 0.00 0.00 57.85 55.29 3kcr n ARG 34 Cb 0.39 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 3kcr n ARG 34 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kcr n ARG 35 N 0.17 3.54 0.00 5.56 1.74 -0.52 -3.57 116.66 123.57 3kcr n ARG 35 Ca 0.06 -4.83 0.00 0.00 -0.77 0.00 0.00 57.85 52.31 3kcr n ARG 35 Cb 0.31 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 3kcr n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kcr n ALA 36 N -0.23 0.00 0.00 7.54 0.00 -1.20 -4.82 120.51 121.80 3kcr n ALA 36 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3kcr n ALA 36 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3kcr n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kcr n LYS 37 N 0.00 0.19 -2.43 0.00 5.02 -1.07 -4.98 118.16 114.89 3kcr n LYS 37 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3kcr n LYS 37 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 3kcr n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcr n GLY 38 N 0.62 -0.28 3.76 0.72 0.00 -1.23 -4.96 105.19 103.81 3kcr n GLY 38 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3kcr n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcr s ARG 39 N -4.95 3.46 0.10 1.61 0.52 -1.26 -4.96 118.95 113.48 3kcr s ARG 39 Ca 0.06 2.02 -0.16 0.00 -0.52 0.00 0.00 55.73 57.13 3kcr s ARG 39 Cb -0.02 -2.35 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 3kcr s ARG 39 CO 0.07 -0.87 1.50 0.00 0.02 0.00 0.00 175.30 176.02 3kcr h ALA 40 N 1.79 0.45 -2.64 2.13 0.00 -1.98 -3.41 119.26 115.60 3kcr h ALA 40 Ca -0.50 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 3kcr h ALA 40 Cb 1.27 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.98 3kcr h ALA 40 CO 0.59 0.30 0.69 -0.98 0.00 0.00 0.00 179.25 179.85 3kcr s ARG 41 N -4.76 4.35 0.00 0.00 1.70 -1.26 -4.69 118.95 114.28 3kcr s ARG 41 Ca -0.13 2.09 0.00 0.00 -0.47 0.00 0.00 55.73 57.22 3kcr s ARG 41 Cb 0.09 -3.21 0.00 0.00 -0.57 0.00 0.00 34.95 31.26 3kcr s ARG 41 CO 0.79 -0.34 0.00 1.28 -1.08 0.00 0.00 175.30 175.95 3kcr n LEU 42 N 3.10 0.00 -0.93 -1.89 4.77 -1.26 -4.78 117.00 116.00 3kcr n LEU 42 Ca 0.08 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.14 3kcr n LEU 42 Cb 0.42 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.74 3kcr n LEU 42 CO 0.58 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.68 3kcr n THR 43 N -0.82 1.06 -2.82 -5.08 -2.24 -1.26 -4.89 114.28 98.23 3kcr n THR 43 Ca 0.00 -1.03 -0.11 0.00 -2.27 0.00 0.00 64.05 60.64 3kcr n THR 43 Cb 0.00 0.47 0.05 0.00 -2.10 0.00 0.00 70.33 68.75 3kcr n THR 43 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kcr n VAL 44 N 0.91 -6.04 -3.98 2.28 0.31 -1.26 -4.75 118.33 105.79 3kcr n VAL 44 Ca 0.17 -0.78 -0.13 0.00 -0.01 0.00 0.00 64.34 63.59 3kcr n VAL 44 Cb 0.52 -5.14 -0.02 0.00 -0.91 0.00 0.00 33.84 28.30 3kcr n VAL 44 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kcr n SER 45 N -2.66 -1.54 0.00 4.52 7.64 -1.26 -5.10 113.62 115.23 3kcr n SER 45 Ca -0.10 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.01 3kcr n SER 45 Cb 0.60 2.77 0.02 0.00 -1.01 0.00 0.00 64.21 66.59 3kcr n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32