#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmq n LYS 2 N 0.00 0.64 -3.61 1.64 2.85 -1.26 -5.00 118.16 113.42 2kmq n LYS 2 Ca 0.00 -0.03 -0.14 0.00 -1.05 0.00 0.00 58.31 57.09 2kmq n LYS 2 Cb 0.00 -1.66 -0.06 0.00 -0.65 0.00 0.00 35.03 32.66 2kmq n LYS 2 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2kmq s VAL 3 N -3.34 0.04 -0.03 0.58 0.11 -1.26 -5.08 120.40 111.42 2kmq s VAL 3 Ca -0.05 -0.29 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 2kmq s VAL 3 Cb 0.11 -0.94 0.06 0.00 -1.53 0.00 0.00 36.38 34.08 2kmq s VAL 3 CO 0.85 -0.16 0.88 0.00 -3.33 0.00 0.00 175.10 173.34 2kmq n ALA 5 N -0.38 -3.33 -1.55 0.00 0.00 -1.26 -5.04 120.51 108.94 2kmq n ALA 5 Ca 0.03 0.83 -0.31 0.00 0.00 0.00 0.00 53.44 53.99 2kmq n ALA 5 Cb 0.55 -1.69 0.06 0.00 0.00 0.00 0.00 19.45 18.37 2kmq n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmq n PRO 7 N -3.23 0.17 -3.95 0.00 -0.04 -1.26 -4.97 135.00 121.73 2kmq n PRO 7 Ca 0.07 0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 63.41 2kmq n PRO 7 Cb 0.54 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2kmq n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kmq n LYS 8 N -2.02 -1.94 -0.27 0.54 3.00 -1.26 -4.90 118.16 111.31 2kmq n LYS 8 Ca 0.05 0.32 0.06 0.00 -0.00 0.00 0.00 58.31 58.75 2kmq n LYS 8 Cb 0.36 -3.97 0.19 0.00 0.00 0.00 0.00 35.03 31.61 2kmq n LYS 8 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2kmq n ILE 9 N -4.47 0.76 -1.38 3.15 3.06 -1.26 -4.92 119.36 114.30 2kmq n ILE 9 Ca -0.22 -0.60 -0.13 0.00 -2.50 0.00 0.00 62.75 59.30 2kmq n ILE 9 Cb 0.64 0.14 -0.06 0.00 0.54 0.00 0.00 39.64 40.91 2kmq n ILE 9 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2kmq n LEU 10 N 0.63 -0.75 -3.20 9.51 7.94 -1.26 -4.94 117.00 124.94 2kmq n LEU 10 Ca 0.14 0.32 -0.23 0.00 -1.11 0.00 0.00 56.01 55.13 2kmq n LEU 10 Cb 0.44 -2.38 -0.06 0.00 0.53 0.00 0.00 43.42 41.95 2kmq n LEU 10 CO 0.11 -0.88 -0.13 1.17 -1.11 0.00 0.00 177.39 176.54 2kmq n LYS 11 N -1.81 1.55 -0.88 1.96 3.00 -1.26 -5.12 118.16 115.60 2kmq n LYS 11 Ca -0.13 -3.82 -0.28 0.00 -0.00 0.00 0.00 58.31 54.08 2kmq n LYS 11 Cb 0.53 -1.72 0.22 0.00 0.00 0.00 0.00 35.03 34.05 2kmq n LYS 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kmq s PRO 12 N -2.16 -0.35 0.29 1.64 0.04 -1.25 -4.72 135.00 128.49 2kmq s PRO 12 Ca 0.40 0.60 0.04 0.00 0.04 0.00 0.00 61.00 62.08 2kmq s PRO 12 Cb 0.23 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 33.10 2kmq s PRO 12 CO -0.09 -3.28 0.24 0.14 0.04 0.00 0.00 177.00 174.06 2kmq s VAL 13 N -2.74 0.00 -0.18 -0.36 -7.23 0.06 -2.22 120.40 107.73 2kmq s VAL 13 Ca 0.67 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2kmq s VAL 13 Cb -0.21 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.24 2kmq s VAL 13 CO 0.61 0.00 -0.19 0.00 -0.31 0.00 0.00 175.10 175.21 2kmq s GLY 15 N 1.29 1.58 0.06 0.00 0.00 -0.19 -2.21 107.32 107.85 2kmq s GLY 15 Ca 0.05 -0.27 0.22 0.00 0.00 0.00 0.00 44.72 44.71 2kmq s GLY 15 CO -0.12 0.30 1.69 -1.14 0.00 0.00 0.00 173.10 173.83 2kmq n SER 16 N -4.10 0.19 0.06 1.64 3.41 0.11 -1.42 113.62 113.52 2kmq n SER 16 Ca 0.06 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 2kmq n SER 16 Cb 0.57 -0.58 0.49 0.00 -0.26 0.00 0.00 64.21 64.43 2kmq n SER 16 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kmq n ASP 17 N -1.70 0.42 -0.03 4.04 2.03 -1.26 -4.95 116.55 115.11 2kmq n ASP 17 Ca 0.05 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2kmq n ASP 17 Cb 0.26 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2kmq n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmq n GLY 18 N 1.23 0.99 3.22 0.27 0.00 -0.50 -5.09 105.19 105.30 2kmq n GLY 18 Ca 0.06 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 2kmq n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kmq s ARG 19 N -2.87 0.95 0.24 1.61 6.06 -1.25 -4.97 118.95 118.72 2kmq s ARG 19 Ca 0.00 -1.11 -0.29 0.00 -2.50 0.00 0.00 55.73 51.83 2kmq s ARG 19 Cb 0.00 -0.95 -0.09 0.00 0.06 0.00 0.00 34.95 33.97 2kmq s ARG 19 CO 0.00 0.20 0.93 0.99 -2.50 0.00 0.00 175.30 174.92 2kmq s THR 20 N -1.62 4.11 0.03 4.11 2.01 -1.26 -1.02 115.64 121.99 2kmq s THR 20 Ca 0.04 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.09 2kmq s THR 20 Cb -0.08 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 2kmq s THR 20 CO 0.03 0.47 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.03 2kmq s TYR 21 N -1.22 0.73 0.44 4.92 2.02 -0.21 -4.92 117.35 119.11 2kmq s TYR 21 Ca 0.41 -0.37 0.33 0.00 -0.37 0.00 0.00 57.07 57.08 2kmq s TYR 21 Cb -0.25 -0.44 1.73 0.00 -0.40 0.00 0.00 41.96 42.60 2kmq s TYR 21 CO 0.31 -0.04 2.16 0.00 -1.57 0.00 0.00 175.55 176.40 2kmq h ALA 22 N 4.95 1.18 -2.97 3.71 0.00 -1.93 0.21 119.26 124.40 2kmq h ALA 22 Ca -0.34 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kmq h ALA 22 Cb 1.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2kmq h ALA 22 CO 0.44 0.07 0.18 1.21 0.00 0.00 0.00 179.25 181.14 2kmq s ASN 23 N -5.81 -0.19 0.38 0.00 2.47 -1.26 -3.91 114.94 106.62 2kmq s ASN 23 Ca -0.03 -0.73 0.09 0.00 0.42 0.00 0.00 52.86 52.61 2kmq s ASN 23 Cb 0.13 0.72 0.85 0.00 -1.45 0.00 0.00 41.25 41.49 2kmq s ASN 23 CO 0.53 -1.35 1.95 0.77 -3.72 0.00 0.00 177.10 175.27 2kmq h SER 24 N 2.04 0.57 0.07 -4.21 4.64 -1.93 -2.73 113.55 112.00 2kmq h SER 24 Ca -0.22 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 2kmq h SER 24 Cb 1.25 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2kmq h SER 24 CO 0.27 0.35 -0.05 0.00 -0.87 0.00 0.00 176.83 176.53 2kmq h ILE 26 N 0.00 1.30 -0.84 0.00 1.08 -1.90 -2.92 117.51 114.24 2kmq h ILE 26 Ca -0.00 -2.33 0.16 0.00 -0.39 0.00 0.00 64.86 62.30 2kmq h ILE 26 Cb 0.10 2.84 -0.10 0.00 -3.07 0.00 0.00 36.82 36.59 2kmq h ILE 26 CO 0.01 0.56 0.40 0.00 -0.69 0.00 0.00 178.15 178.42 2kmq h ALA 27 N -0.15 1.26 -0.70 1.87 0.00 -1.53 -1.92 119.26 118.09 2kmq h ALA 27 Ca -0.20 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kmq h ALA 27 Cb 1.37 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2kmq h ALA 27 CO -0.03 -0.16 0.29 0.00 0.00 0.00 0.00 179.25 179.35 2kmq h ARG 28 N 0.54 1.04 0.00 0.00 2.47 -1.46 -0.76 114.38 116.21 2kmq h ARG 28 Ca 0.47 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2kmq h ARG 28 Cb 0.73 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2kmq h ARG 28 CO -0.40 0.85 0.00 0.00 0.56 0.00 0.00 179.97 180.98 2kmq n ASN 30 N -2.81 2.49 0.00 0.00 3.02 -0.88 -4.98 115.26 112.10 2kmq n ASN 30 Ca 0.00 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 2kmq n ASN 30 Cb 0.23 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2kmq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kmq n GLY 31 N 1.28 0.81 3.97 7.41 0.00 -0.92 -5.08 105.19 112.66 2kmq n GLY 31 Ca 0.11 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2kmq n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmq s VAL 32 N -2.00 3.09 0.17 1.61 1.01 -0.35 -5.00 120.40 118.92 2kmq s VAL 32 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 60.97 2kmq s VAL 32 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2kmq s VAL 32 CO 0.00 -0.03 -0.17 -0.94 0.00 0.00 0.00 175.10 173.97 2kmq s SER 33 N -4.27 2.53 0.24 3.32 1.04 -1.26 -3.42 113.70 111.88 2kmq s SER 33 Ca 0.52 -0.89 -0.30 0.00 0.48 0.00 0.00 55.95 55.76 2kmq s SER 33 Cb -0.08 -0.14 -0.09 0.00 0.10 0.00 0.00 66.02 65.81 2kmq s SER 33 CO 0.31 -0.09 1.25 -0.51 0.98 0.00 0.00 173.24 175.19 2kmq s ILE 34 N -2.28 3.21 0.04 -1.02 -1.16 -1.26 0.09 121.20 118.82 2kmq s ILE 34 Ca 0.16 1.08 -0.03 0.00 -0.51 0.00 0.00 60.65 61.35 2kmq s ILE 34 Cb -0.04 -3.69 -0.01 0.00 0.61 0.00 0.00 42.46 39.32 2kmq s ILE 34 CO 0.06 0.20 -0.06 1.17 -2.81 0.00 0.00 174.94 173.50 2kmq n LYS 35 N 1.95 0.09 -4.16 3.50 0.00 -0.94 -4.76 118.16 113.84 2kmq n LYS 35 Ca 0.03 0.04 -0.15 0.00 0.00 0.00 0.00 58.31 58.23 2kmq n LYS 35 Cb 0.43 -0.66 -0.13 0.00 0.00 0.00 0.00 35.03 34.66 2kmq n LYS 35 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2kmq s SER 36 N -5.91 0.77 0.83 3.14 1.04 -1.09 -5.06 113.70 107.43 2kmq s SER 36 Ca -0.05 -0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 2kmq s SER 36 Cb 0.01 -0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.18 2kmq s SER 36 CO 0.08 -0.01 1.11 -1.83 0.98 0.00 0.00 173.24 173.56 2kmq s GLU 37 N -0.60 1.77 0.19 4.02 -1.05 -1.26 -0.47 118.70 121.30 2kmq s GLU 37 Ca -0.01 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 2kmq s GLU 37 Cb -0.05 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 2kmq s GLU 37 CO 0.00 -1.82 0.00 0.41 0.95 0.00 0.00 175.26 174.80 2kmq n GLY 38 N -2.05 -2.87 3.73 -3.83 0.00 -0.94 -4.64 105.19 94.59 2kmq n GLY 38 Ca 0.07 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2kmq n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kmq s SER 39 N -4.92 6.38 0.13 1.61 0.15 -1.22 -2.79 113.70 113.03 2kmq s SER 39 Ca 0.00 2.88 -0.30 0.00 0.70 0.00 0.00 55.95 59.23 2kmq s SER 39 Cb 0.00 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 2kmq s SER 39 CO 0.00 -0.95 1.17 0.00 1.20 0.00 0.00 173.24 174.66 2kmq s PRO 41 N 0.30 0.78 -0.17 0.00 0.04 -1.26 -4.79 135.00 129.89 2kmq s PRO 41 Ca 0.54 0.57 0.11 0.00 0.04 0.00 0.00 61.00 62.26 2kmq s PRO 41 Cb -0.30 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 2kmq s PRO 41 CO 0.33 -2.51 -0.01 2.41 0.04 0.00 0.00 177.00 177.26 2kmq n THR 42 N -4.03 1.10 -0.63 1.26 -1.04 -1.26 -4.72 114.28 104.97 2kmq n THR 42 Ca 0.06 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 2kmq n THR 42 Cb 0.57 -0.75 0.01 0.00 -1.82 0.00 0.00 70.33 68.33 2kmq n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kmq n GLY 43 N 2.16 0.04 0.15 3.41 0.00 -1.26 -5.25 105.19 104.44 2kmq n GLY 43 Ca -0.28 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2kmq n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71