#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmr s LYS 2 N 0.00 3.31 -0.04 -1.58 3.01 -1.26 -5.13 119.74 118.05 2kmr s LYS 2 Ca 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 55.97 54.27 2kmr s LYS 2 Cb 0.00 -2.60 0.03 0.00 -1.01 0.00 0.00 37.83 34.25 2kmr s LYS 2 CO 0.00 0.24 -0.01 0.08 0.51 0.00 0.00 175.35 176.17 2kmr s VAL 3 N 0.27 0.32 0.00 3.17 1.01 -1.26 -5.04 120.40 118.87 2kmr s VAL 3 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2kmr s VAL 3 Cb -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2kmr s VAL 3 CO 0.06 0.19 0.19 0.00 0.00 0.00 0.00 175.10 175.53 2kmr n ALA 5 N -0.37 -0.85 -1.61 0.00 0.00 -1.26 -4.96 120.51 111.45 2kmr n ALA 5 Ca 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 2kmr n ALA 5 Cb 0.03 -1.49 0.07 0.00 0.00 0.00 0.00 19.45 18.06 2kmr n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmr n PRO 7 N -2.10 0.44 -0.80 0.00 -0.04 -1.26 -4.89 135.00 126.35 2kmr n PRO 7 Ca 0.15 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2kmr n PRO 7 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2kmr n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kmr n LYS 8 N -1.21 -1.39 -1.60 0.54 4.76 -1.26 -4.96 118.16 113.05 2kmr n LYS 8 Ca 0.13 0.33 -0.42 0.00 -2.87 0.00 0.00 58.31 55.47 2kmr n LYS 8 Cb 0.15 -4.69 0.00 0.00 -1.84 0.00 0.00 35.03 28.66 2kmr n LYS 8 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2kmr n ILE 9 N -1.87 2.23 -2.48 -0.18 0.13 -1.26 -4.90 119.36 111.02 2kmr n ILE 9 Ca 0.00 -0.50 -0.39 0.00 -1.10 0.00 0.00 62.75 60.76 2kmr n ILE 9 Cb 0.33 -1.10 -0.03 0.00 -0.84 0.00 0.00 39.64 37.99 2kmr n ILE 9 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2kmr s LEU 10 N -0.13 3.45 -0.42 9.51 0.20 -1.26 -4.31 118.68 125.72 2kmr s LEU 10 Ca 0.61 -1.33 0.06 0.00 0.69 0.00 0.00 54.13 54.16 2kmr s LEU 10 Cb -0.60 -2.57 0.21 0.00 -0.43 0.00 0.00 46.19 42.80 2kmr s LEU 10 CO 0.58 -1.70 0.51 1.17 -0.29 0.00 0.00 176.35 176.62 2kmr n LYS 11 N 8.88 0.49 -1.95 1.98 4.81 -0.36 -5.06 118.16 126.96 2kmr n LYS 11 Ca 0.34 -2.94 -0.25 0.00 -0.87 0.00 0.00 58.31 54.58 2kmr n LYS 11 Cb 0.50 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 34.06 2kmr n LYS 11 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kmr s PRO 12 N -0.32 2.38 0.17 1.64 0.04 -1.22 -3.65 135.00 134.03 2kmr s PRO 12 Ca 0.33 -0.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.15 2kmr s PRO 12 Cb 0.11 -4.94 -0.08 0.00 0.04 0.00 0.00 34.50 29.63 2kmr s PRO 12 CO -0.15 -3.52 0.66 0.14 0.04 0.00 0.00 177.00 174.17 2kmr s VAL 13 N 10.91 4.64 -0.01 -0.36 -7.23 -1.09 -4.88 120.40 122.37 2kmr s VAL 13 Ca 0.75 1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 61.84 2kmr s VAL 13 Cb -0.09 -3.87 -0.07 0.00 0.56 0.00 0.00 36.38 32.91 2kmr s VAL 13 CO 0.03 0.33 1.81 0.00 -0.31 0.00 0.00 175.10 176.96 2kmr s GLY 15 N 3.93 1.84 0.53 0.00 0.00 -0.13 -4.94 107.32 108.56 2kmr s GLY 15 Ca 0.81 -0.56 0.23 0.00 0.00 0.00 0.00 44.72 45.19 2kmr s GLY 15 CO 0.35 -0.46 2.14 0.23 0.00 0.00 0.00 173.10 175.37 2kmr h SER 16 N 1.65 0.00 0.85 1.64 0.87 -1.86 -1.34 113.55 115.36 2kmr h SER 16 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kmr h SER 16 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kmr h SER 16 CO 0.66 0.06 0.00 -0.67 -0.53 0.00 0.00 176.83 176.35 2kmr n ASP 17 N -4.07 0.04 0.00 6.23 2.03 -1.26 -4.91 116.55 114.61 2kmr n ASP 17 Ca -0.03 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2kmr n ASP 17 Cb 0.15 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 2kmr n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmr n GLY 18 N 0.97 0.41 0.44 0.27 0.00 -0.51 -5.10 105.19 101.69 2kmr n GLY 18 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2kmr n GLY 18 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kmr n ARG 19 N -1.49 -0.02 -4.39 1.61 1.85 -1.26 -4.82 116.66 108.14 2kmr n ARG 19 Ca 0.00 -0.25 -0.22 0.00 -1.00 0.00 0.00 57.85 56.38 2kmr n ARG 19 Cb 0.00 -0.14 -0.11 0.00 -1.05 0.00 0.00 32.46 31.16 2kmr n ARG 19 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2kmr s THR 20 N -1.11 2.06 0.03 8.89 -1.32 -1.26 -0.95 115.64 121.96 2kmr s THR 20 Ca 0.08 -2.15 0.01 0.00 -1.21 0.00 0.00 61.69 58.43 2kmr s THR 20 Cb -0.00 -2.06 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 2kmr s THR 20 CO 0.06 -0.38 -0.06 -0.31 -2.21 0.00 0.00 174.62 171.72 2kmr s TYR 21 N -2.36 0.48 0.33 9.09 2.02 -1.11 -4.90 117.35 120.90 2kmr s TYR 21 Ca 0.22 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2kmr s TYR 21 Cb -0.05 -0.30 0.56 0.00 -0.40 0.00 0.00 41.96 41.78 2kmr s TYR 21 CO 0.09 -0.11 1.99 0.00 -1.57 0.00 0.00 175.55 175.95 2kmr h ALA 22 N 4.78 1.49 -2.98 3.71 0.00 -1.91 -2.90 119.26 121.45 2kmr h ALA 22 Ca -0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2kmr h ALA 22 Cb 1.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2kmr h ALA 22 CO 0.42 0.47 0.15 0.54 0.00 0.00 0.00 179.25 180.82 2kmr s ASN 23 N -6.43 0.19 0.29 0.00 2.20 -1.24 -1.23 114.94 108.71 2kmr s ASN 23 Ca -0.10 -1.17 -0.02 0.00 -0.94 0.00 0.00 52.86 50.63 2kmr s ASN 23 Cb 0.18 0.79 0.43 0.00 -2.00 0.00 0.00 41.25 40.64 2kmr s ASN 23 CO 0.77 -1.55 1.93 -1.28 -2.94 0.00 0.00 177.10 174.04 2kmr h SER 24 N 2.04 0.99 0.60 3.54 0.87 -1.87 -2.59 113.55 117.13 2kmr h SER 24 Ca -0.30 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 2kmr h SER 24 Cb 1.25 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2kmr h SER 24 CO 0.38 0.68 -0.29 0.00 -0.53 0.00 0.00 176.83 177.07 2kmr h ILE 26 N -0.82 1.19 0.34 0.00 2.10 -1.96 -1.05 117.51 117.31 2kmr h ILE 26 Ca -0.08 -0.40 -0.01 0.00 1.08 0.00 0.00 64.86 65.45 2kmr h ILE 26 Cb 0.62 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.28 2kmr h ILE 26 CO 0.14 0.21 -0.18 0.00 -1.08 0.00 0.00 178.15 177.24 2kmr h ALA 27 N 1.46 -0.48 -0.65 0.18 0.00 -1.28 -0.16 119.26 118.33 2kmr h ALA 27 Ca 0.34 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2kmr h ALA 27 Cb -0.06 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2kmr h ALA 27 CO -0.09 -0.77 0.37 0.00 0.00 0.00 0.00 179.25 178.76 2kmr h ARG 28 N -0.48 0.69 -0.11 0.00 3.08 -0.75 -0.26 114.38 116.55 2kmr h ARG 28 Ca -0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 2kmr h ARG 28 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2kmr h ARG 28 CO 0.06 0.45 -0.57 0.00 -1.07 0.00 0.00 179.97 178.84 2kmr h ASN 30 N 0.27 1.02 0.00 0.00 -0.73 -0.67 -3.48 115.58 111.98 2kmr h ASN 30 Ca -0.00 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.83 2kmr h ASN 30 Cb 1.09 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.40 2kmr h ASN 30 CO 0.10 1.11 0.00 0.61 -0.37 0.00 0.00 177.43 178.88 2kmr n GLY 31 N -0.31 0.47 3.22 1.57 0.00 -0.46 -5.10 105.19 104.58 2kmr n GLY 31 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2kmr n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmr s VAL 32 N -0.47 1.36 0.41 1.61 1.01 -0.23 -5.00 120.40 119.09 2kmr s VAL 32 Ca 0.00 -1.37 0.05 0.00 0.00 0.00 0.00 61.98 60.66 2kmr s VAL 32 Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2kmr s VAL 32 CO 0.00 -0.13 0.02 -0.44 0.00 0.00 0.00 175.10 174.55 2kmr s SER 33 N -1.75 3.60 -0.19 3.32 0.01 -1.26 -2.32 113.70 115.11 2kmr s SER 33 Ca 0.02 -1.43 -0.04 0.00 1.31 0.00 0.00 55.95 55.80 2kmr s SER 33 Cb -0.10 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.06 2kmr s SER 33 CO 0.03 -0.57 0.09 -0.63 0.41 0.00 0.00 173.24 172.57 2kmr s ILE 34 N -2.87 0.05 0.28 1.44 1.01 -1.26 -4.44 121.20 115.41 2kmr s ILE 34 Ca 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2kmr s ILE 34 Cb 0.08 -0.74 0.27 0.00 0.01 0.00 0.00 42.46 42.08 2kmr s ILE 34 CO 0.15 -0.34 1.92 0.11 0.00 0.00 0.00 174.94 176.78 2kmr h LYS 35 N 8.38 1.11 -2.12 2.79 1.79 -2.01 -3.47 116.57 123.03 2kmr h LYS 35 Ca -0.16 -0.07 -0.33 0.00 -2.18 0.00 0.00 60.65 57.92 2kmr h LYS 35 Cb 1.12 -0.25 -0.08 0.00 -1.58 0.00 0.00 32.23 31.44 2kmr h LYS 35 CO 0.32 0.73 -0.35 0.45 -1.08 0.00 0.00 179.45 179.53 2kmr n SER 36 N -4.46 -4.49 0.01 0.86 2.88 -1.26 -4.88 113.62 102.28 2kmr n SER 36 Ca 0.13 0.28 0.05 0.00 -1.33 0.00 0.00 58.87 58.00 2kmr n SER 36 Cb 0.13 -3.95 0.44 0.00 -0.75 0.00 0.00 64.21 60.08 2kmr n SER 36 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kmr h GLU 37 N 0.00 0.50 -0.01 -1.46 4.81 -2.05 -2.23 114.58 114.14 2kmr h GLU 37 Ca -0.35 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2kmr h GLU 37 Cb 1.15 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2kmr h GLU 37 CO 0.47 0.33 -0.12 0.41 -0.73 0.00 0.00 179.01 179.38 2kmr n GLY 38 N -1.48 -0.37 3.96 1.92 0.00 -1.26 -4.98 105.19 102.98 2kmr n GLY 38 Ca 0.03 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2kmr n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kmr s SER 39 N -2.25 4.58 -0.58 1.61 0.01 -0.84 -5.08 113.70 111.14 2kmr s SER 39 Ca 0.32 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.67 2kmr s SER 39 Cb 0.20 -0.58 0.24 0.00 0.21 0.00 0.00 66.02 66.10 2kmr s SER 39 CO 0.43 -1.70 0.67 0.00 0.41 0.00 0.00 173.24 173.04 2kmr s PRO 41 N -2.06 2.62 -0.00 0.00 0.04 -1.26 -5.01 135.00 129.34 2kmr s PRO 41 Ca 0.38 1.22 0.13 0.00 0.04 0.00 0.00 61.00 62.76 2kmr s PRO 41 Cb 0.14 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.59 2kmr s PRO 41 CO -0.05 -1.37 0.47 -2.37 0.04 0.00 0.00 177.00 173.72 2kmr n THR 42 N -2.96 0.00 -0.02 1.26 5.66 -1.26 -4.82 114.28 112.14 2kmr n THR 42 Ca 0.09 -0.23 -0.04 0.00 -3.05 0.00 0.00 64.05 60.82 2kmr n THR 42 Cb 0.53 0.79 -0.01 0.00 -1.55 0.00 0.00 70.33 70.09 2kmr n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kmr n GLY 43 N 1.42 -0.27 0.00 1.09 0.00 -1.26 -5.39 105.19 100.78 2kmr n GLY 43 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kmr n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83