#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 1.14 -0.01 1.64 -2.85 -1.26 -5.19 119.74 113.22 2kmr s LYS 2 Ca 0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 2kmr s LYS 2 Cb 0.00 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2kmr s LYS 2 CO 0.00 -0.52 0.02 0.08 0.10 0.00 0.00 175.35 175.03 2kmr s VAL 3 N -3.30 -0.02 -0.49 1.79 1.01 -1.26 -5.12 120.40 113.02 2kmr s VAL 3 Ca 0.10 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 2kmr s VAL 3 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 2kmr s VAL 3 CO -0.01 0.07 1.84 0.00 0.00 0.00 0.00 175.10 177.00 2kmr n ALA 5 N 11.81 4.99 -1.53 0.00 0.00 -1.26 -4.95 120.51 129.57 2kmr n ALA 5 Ca 0.22 -1.47 -0.32 0.00 0.00 0.00 0.00 53.44 51.87 2kmr n ALA 5 Cb 0.50 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.59 2kmr n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmr s PRO 7 N -4.29 2.27 0.22 0.00 0.04 -1.26 -4.96 135.00 127.03 2kmr s PRO 7 Ca 0.64 1.26 0.22 0.00 0.04 0.00 0.00 61.00 63.16 2kmr s PRO 7 Cb -0.18 -1.89 0.93 0.00 0.04 0.00 0.00 34.50 33.40 2kmr s PRO 7 CO 0.43 -1.64 1.68 1.63 0.04 0.00 0.00 177.00 179.14 2kmr n LYS 8 N -3.33 0.17 -1.87 4.56 5.02 -1.26 -4.89 118.16 116.56 2kmr n LYS 8 Ca 0.10 0.40 -0.38 0.00 -2.02 0.00 0.00 58.31 56.40 2kmr n LYS 8 Cb 0.53 -1.82 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2kmr n LYS 8 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2kmr s ILE 9 N -3.27 2.27 -0.60 -0.18 1.10 -1.26 -5.01 121.20 114.24 2kmr s ILE 9 Ca 0.05 0.20 0.01 0.00 -0.51 0.00 0.00 60.65 60.40 2kmr s ILE 9 Cb 0.09 -3.10 0.15 0.00 0.15 0.00 0.00 42.46 39.75 2kmr s ILE 9 CO 0.38 -0.00 0.38 -0.22 -2.11 0.00 0.00 174.94 173.36 2kmr s LEU 10 N -3.45 4.77 -0.47 8.50 2.96 -1.26 -4.80 118.68 124.91 2kmr s LEU 10 Ca 0.70 -3.11 0.06 0.00 -0.22 0.00 0.00 54.13 51.56 2kmr s LEU 10 Cb -0.38 -1.73 0.22 0.00 0.50 0.00 0.00 46.19 44.80 2kmr s LEU 10 CO 0.45 -0.26 0.50 0.29 -1.32 0.00 0.00 176.35 176.02 2kmr n LYS 11 N 3.04 0.99 -2.02 1.98 4.76 -1.21 -5.12 118.16 120.58 2kmr n LYS 11 Ca 0.09 -3.59 -0.42 0.00 -2.87 0.00 0.00 58.31 51.51 2kmr n LYS 11 Cb 0.35 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 2kmr n LYS 11 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kmr s PRO 12 N -1.06 4.18 0.18 1.97 0.04 -1.13 -4.27 135.00 134.91 2kmr s PRO 12 Ca 0.34 2.17 0.06 0.00 0.04 0.00 0.00 61.00 63.61 2kmr s PRO 12 Cb 0.10 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2kmr s PRO 12 CO -0.13 -0.84 0.10 0.08 0.04 0.00 0.00 177.00 176.25 2kmr s VAL 13 N 4.01 4.22 -0.56 -0.36 1.01 -0.37 -4.91 120.40 123.44 2kmr s VAL 13 Ca 0.73 -1.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 2kmr s VAL 13 Cb -0.33 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 32.92 2kmr s VAL 13 CO 0.29 -0.15 1.11 0.00 0.00 0.00 0.00 175.10 176.35 2kmr s GLY 15 N 2.88 2.25 0.57 0.00 0.00 0.11 -4.82 107.32 108.32 2kmr s GLY 15 Ca 0.39 0.62 0.38 0.00 0.00 0.00 0.00 44.72 46.12 2kmr s GLY 15 CO 0.24 0.98 2.16 1.76 0.00 0.00 0.00 173.10 178.24 2kmr h SER 16 N 0.21 0.00 1.01 1.64 0.02 -1.73 -1.14 113.55 113.55 2kmr h SER 16 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kmr h SER 16 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2kmr h SER 16 CO 0.54 0.00 -0.12 -0.67 -1.14 0.00 0.00 176.83 175.44 2kmr n ASP 17 N -2.88 0.29 0.00 3.07 2.03 -1.26 -4.12 116.55 113.68 2kmr n ASP 17 Ca -0.02 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2kmr n ASP 17 Cb 0.10 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 1.45 0.99 3.74 0.27 0.00 -0.43 -5.12 105.19 106.09 2kmr n GLY 18 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2kmr n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmr s ARG 19 N -0.63 3.26 0.29 1.61 0.52 -1.23 -4.90 118.95 117.87 2kmr s ARG 19 Ca 0.00 -0.31 -0.28 0.00 -0.52 0.00 0.00 55.73 54.62 2kmr s ARG 19 Cb 0.00 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.40 2kmr s ARG 19 CO 0.00 0.67 1.00 0.95 0.02 0.00 0.00 175.30 177.93 2kmr s THR 20 N -0.75 3.91 0.02 0.02 -4.23 -1.26 -0.71 115.64 112.63 2kmr s THR 20 Ca 0.12 1.77 0.02 0.00 -1.18 0.00 0.00 61.69 62.42 2kmr s THR 20 Cb -0.12 -4.07 -0.01 0.00 1.34 0.00 0.00 72.50 69.64 2kmr s THR 20 CO 0.03 0.31 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.03 2kmr s TYR 21 N -1.35 0.61 0.23 3.99 2.02 -0.40 -4.91 117.35 117.54 2kmr s TYR 21 Ca 0.46 -0.26 -0.08 0.00 -0.37 0.00 0.00 57.07 56.83 2kmr s TYR 21 Cb -0.25 -0.38 0.21 0.00 -0.40 0.00 0.00 41.96 41.14 2kmr s TYR 21 CO 0.32 -0.03 1.90 0.00 -1.57 0.00 0.00 175.55 176.16 2kmr h ALA 22 N 5.38 1.13 -2.94 3.71 0.00 -1.88 -0.96 119.26 123.70 2kmr h ALA 22 Ca -0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2kmr h ALA 22 Cb 1.19 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2kmr h ALA 22 CO 0.46 0.56 0.06 0.54 0.00 0.00 0.00 179.25 180.87 2kmr s ASN 23 N -6.05 0.10 0.57 0.00 2.20 -1.26 -2.83 114.94 107.67 2kmr s ASN 23 Ca -0.13 -1.03 0.27 0.00 -0.94 0.00 0.00 52.86 51.03 2kmr s ASN 23 Cb 0.17 0.71 1.67 0.00 -2.00 0.00 0.00 41.25 41.80 2kmr s ASN 23 CO 0.81 -1.38 2.21 0.77 -2.94 0.00 0.00 177.10 176.56 2kmr h SER 24 N 2.09 0.00 0.63 3.54 4.64 -1.86 -2.82 113.55 119.77 2kmr h SER 24 Ca -0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 2kmr h SER 24 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2kmr h SER 24 CO 0.35 0.02 -0.39 0.00 -0.87 0.00 0.00 176.83 175.94 2kmr h ILE 26 N -0.95 1.15 0.68 0.00 2.10 -1.91 -0.09 117.51 118.50 2kmr h ILE 26 Ca -0.08 -0.28 -0.03 0.00 1.08 0.00 0.00 64.86 65.54 2kmr h ILE 26 Cb 0.76 0.25 -0.00 0.00 -1.09 0.00 0.00 36.82 36.74 2kmr h ILE 26 CO 0.08 0.15 -0.41 0.00 -1.08 0.00 0.00 178.15 176.89 2kmr h ALA 27 N 1.62 -1.05 -0.45 0.18 0.00 -1.53 -0.99 119.26 117.03 2kmr h ALA 27 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2kmr h ALA 27 Cb -0.08 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kmr h ALA 27 CO -0.05 -1.11 0.05 0.00 0.00 0.00 0.00 179.25 178.14 2kmr h ARG 28 N -1.02 0.71 -0.62 0.00 3.08 -0.83 0.14 114.38 115.83 2kmr h ARG 28 Ca -0.09 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2kmr h ARG 28 Cb 0.83 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 2kmr h ARG 28 CO 0.09 0.69 0.32 0.00 -1.07 0.00 0.00 179.97 180.00 2kmr h ASN 30 N 0.85 0.09 0.00 0.00 -0.73 -0.82 -3.48 115.58 111.49 2kmr h ASN 30 Ca 0.22 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2kmr h ASN 30 Cb 0.07 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2kmr h ASN 30 CO -0.03 0.54 0.00 0.61 -0.37 0.00 0.00 177.43 178.18 2kmr n GLY 31 N 0.17 0.05 3.22 1.57 0.00 -0.12 -5.10 105.19 104.97 2kmr n GLY 31 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 1.27 0.27 1.61 1.01 -0.27 -4.99 120.40 119.25 2kmr s VAL 32 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.40 2kmr s VAL 32 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2kmr s VAL 32 CO 0.00 -0.36 0.10 -0.44 0.00 0.00 0.00 175.10 174.40 2kmr s SER 33 N -2.24 1.25 0.00 3.32 0.01 -1.26 -2.10 113.70 112.69 2kmr s SER 33 Ca 0.06 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 55.94 2kmr s SER 33 Cb -0.06 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.38 2kmr s SER 33 CO 0.03 -0.75 0.74 -0.38 0.41 0.00 0.00 173.24 173.29 2kmr n ILE 34 N -0.48 0.33 0.04 1.44 -0.00 -1.26 -2.18 119.36 117.25 2kmr n ILE 34 Ca 0.00 -0.67 -0.13 0.00 -0.00 0.00 0.00 62.75 61.95 2kmr n ILE 34 Cb 0.66 0.87 -0.08 0.00 -0.00 0.00 0.00 39.64 41.09 2kmr n ILE 34 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 2kmr h LYS 35 N 0.46 -0.52 -2.28 0.38 1.63 -1.97 -3.44 116.57 110.82 2kmr h LYS 35 Ca 0.00 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2kmr h LYS 35 Cb 0.25 0.12 -0.23 0.00 -0.60 0.00 0.00 32.23 31.76 2kmr h LYS 35 CO 0.00 -0.35 -0.12 0.45 -3.45 0.00 0.00 179.45 175.98 2kmr s SER 36 N -4.34 -0.76 1.02 4.20 0.15 -1.26 -5.18 113.70 107.52 2kmr s SER 36 Ca -0.13 1.25 -0.12 0.00 0.70 0.00 0.00 55.95 57.64 2kmr s SER 36 Cb 0.05 1.14 0.20 0.00 -1.71 0.00 0.00 66.02 65.70 2kmr s SER 36 CO 0.50 -0.22 1.08 -1.61 1.20 0.00 0.00 173.24 174.19 2kmr s GLU 37 N 1.57 0.27 0.13 5.44 2.02 -1.26 -4.95 118.70 121.91 2kmr s GLU 37 Ca -0.10 0.63 0.18 0.00 0.02 0.00 0.00 54.97 55.70 2kmr s GLU 37 Cb -0.07 -1.71 0.77 0.00 0.10 0.00 0.00 34.13 33.23 2kmr s GLU 37 CO -0.17 -2.87 1.56 0.41 0.02 0.00 0.00 175.26 174.21 2kmr n GLY 38 N -0.71 -1.09 3.35 -1.39 0.00 -1.26 -4.79 105.19 99.29 2kmr n GLY 38 Ca 0.05 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2kmr n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmr s SER 39 N -3.59 0.02 -0.44 1.61 1.04 -1.26 -5.13 113.70 105.96 2kmr s SER 39 Ca 0.05 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 55.69 2kmr s SER 39 Cb 0.09 0.44 0.23 0.00 0.10 0.00 0.00 66.02 66.88 2kmr s SER 39 CO 0.31 -0.90 0.62 0.00 0.98 0.00 0.00 173.24 174.24 2kmr s PRO 41 N -0.22 3.32 0.00 0.00 0.04 -1.26 -4.86 135.00 132.02 2kmr s PRO 41 Ca 0.33 -1.29 -0.01 0.00 0.04 0.00 0.00 61.00 60.07 2kmr s PRO 41 Cb 0.15 -5.35 -0.06 0.00 0.04 0.00 0.00 34.50 29.28 2kmr s PRO 41 CO -0.16 -2.80 1.83 2.41 0.04 0.00 0.00 177.00 178.32 2kmr n THR 42 N 7.08 1.65 0.00 1.26 -1.04 -1.26 -4.82 114.28 117.15 2kmr n THR 42 Ca 0.42 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2kmr n THR 42 Cb 0.48 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2kmr n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kmr n GLY 43 N 1.96 -2.18 0.00 3.41 0.00 -1.26 -5.39 105.19 101.72 2kmr n GLY 43 Ca 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2kmr n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61