#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgg s VAL 2 N 0.00 0.88 0.16 -3.33 1.01 -1.26 -4.95 120.40 112.91 2kgg s VAL 2 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2kgg s VAL 2 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.63 2kgg s VAL 2 CO 0.00 0.27 0.22 0.00 0.00 0.00 0.00 175.10 175.59 2kgg s ALA 4 N -2.73 3.58 -0.28 0.00 0.00 -0.51 -4.94 121.76 116.87 2kgg s ALA 4 Ca 0.15 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 2kgg s ALA 4 Cb -0.01 -3.01 0.18 0.00 0.00 0.00 0.00 23.12 20.28 2kgg s ALA 4 CO 0.10 -0.88 1.34 0.00 0.00 0.00 0.00 175.76 176.32 2kgg s ALA 5 N 2.47 -2.15 0.26 0.00 0.00 -1.26 -4.11 121.76 116.98 2kgg s ALA 5 Ca 0.24 1.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.93 2kgg s ALA 5 Cb -0.15 -1.62 0.56 0.00 0.00 0.00 0.00 23.12 21.91 2kgg s ALA 5 CO 0.10 -0.16 1.69 1.96 0.00 0.00 0.00 175.76 179.35 2kgg h GLN 6 N 3.00 0.31 -3.70 0.00 4.20 -1.95 -3.31 115.11 113.66 2kgg h GLN 6 Ca -0.22 -0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.86 2kgg h GLN 6 Cb 1.19 -0.07 -0.40 0.00 0.30 0.00 0.00 27.48 28.50 2kgg h GLN 6 CO 0.19 0.20 -0.74 -0.80 -0.67 0.00 0.00 178.83 177.01 2kgg s ASN 7 N -5.22 4.13 -0.38 1.46 0.01 -1.26 -5.08 114.94 108.59 2kgg s ASN 7 Ca -0.12 -1.94 -0.15 0.00 -0.71 0.00 0.00 52.86 49.94 2kgg s ASN 7 Cb 0.23 -1.07 0.01 0.00 0.41 0.00 0.00 41.25 40.83 2kgg s ASN 7 CO 0.76 -0.38 0.31 0.00 -1.51 0.00 0.00 177.10 176.28 2kgg n GLN 9 N 5.23 0.10 -3.88 0.00 6.02 -1.26 -4.92 117.38 118.67 2kgg n GLN 9 Ca -0.11 0.20 -0.28 0.00 -0.01 0.00 0.00 57.00 56.80 2kgg n GLN 9 Cb 0.48 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.27 2kgg n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kgg n ARG 10 N -1.39 -5.29 -2.33 -1.09 1.74 -1.26 -4.95 116.66 102.08 2kgg n ARG 10 Ca 0.05 0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 2kgg n ARG 10 Cb 0.14 -5.39 -0.03 0.00 -1.02 0.00 0.00 32.46 26.16 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2kgg s PRO 11 N -6.50 4.49 -0.17 5.56 0.02 -1.26 -5.02 135.00 132.11 2kgg s PRO 11 Ca 0.51 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2kgg s PRO 11 Cb -0.26 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.10 2kgg s PRO 11 CO 0.83 -0.07 -0.09 0.00 -0.33 0.00 0.00 177.00 177.34 2kgg s LYS 13 N 1.53 1.13 0.00 0.00 1.02 -1.26 -5.02 119.74 117.14 2kgg s LYS 13 Ca 0.01 -1.08 0.27 0.00 0.02 0.00 0.00 55.97 55.20 2kgg s LYS 13 Cb -0.15 0.39 0.97 0.00 -0.52 0.00 0.00 37.83 38.52 2kgg s LYS 13 CO -0.09 -0.42 1.71 -0.25 -0.92 0.00 0.00 175.35 175.39 2kgg n ASP 14 N -0.21 0.41 -3.73 2.83 8.00 -1.26 -4.43 116.55 118.18 2kgg n ASP 14 Ca -0.09 -0.24 -0.29 0.00 0.71 0.00 0.00 54.79 54.87 2kgg n ASP 14 Cb 0.63 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.54 2kgg n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgg s LYS 15 N -2.77 1.42 -0.30 -1.24 1.02 -1.26 -4.98 119.74 111.63 2kgg s LYS 15 Ca 0.19 -2.17 -0.14 0.00 0.02 0.00 0.00 55.97 53.87 2kgg s LYS 15 Cb 0.19 -2.45 0.18 0.00 -0.52 0.00 0.00 37.83 35.23 2kgg s LYS 15 CO 0.56 -1.18 1.13 0.54 -0.92 0.00 0.00 175.35 175.48 2kgg s VAL 16 N 0.13 -0.09 0.46 3.17 0.11 -1.26 -5.13 120.40 117.79 2kgg s VAL 16 Ca 0.19 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 2kgg s VAL 16 Cb -0.21 -0.06 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 2kgg s VAL 16 CO -0.02 0.00 1.33 -1.81 -3.33 0.00 0.00 175.10 171.27 2kgg s ASP 17 N 2.60 5.94 0.25 3.54 1.11 -1.26 -4.97 116.67 123.88 2kgg s ASP 17 Ca 0.25 2.70 0.08 0.00 0.18 0.00 0.00 52.55 55.76 2kgg s ASP 17 Cb 0.02 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2kgg s ASP 17 CO -0.20 -1.11 0.10 0.26 1.18 0.00 0.00 175.17 175.40 2kgg s TRP 18 N -1.29 2.92 -0.03 4.23 0.52 -1.26 -3.80 118.94 120.22 2kgg s TRP 18 Ca 0.62 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.62 2kgg s TRP 18 Cb -0.39 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 2kgg s TRP 18 CO 0.49 0.56 -0.12 0.14 0.02 0.00 0.00 176.95 178.04 2kgg s VAL 19 N -2.18 1.06 -0.12 4.03 -7.23 -0.26 -4.96 120.40 110.74 2kgg s VAL 19 Ca 0.32 -0.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.91 2kgg s VAL 19 Cb -0.07 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2kgg s VAL 19 CO 0.22 0.32 0.13 -1.58 -0.31 0.00 0.00 175.10 173.88 2kgg s GLN 20 N 0.15 3.48 -0.59 4.82 0.74 -1.26 0.04 119.66 127.04 2kgg s GLN 20 Ca -0.04 -0.15 -0.22 0.00 0.05 0.00 0.00 55.36 55.01 2kgg s GLN 20 Cb -0.10 -3.19 0.06 0.00 1.10 0.00 0.00 33.01 30.88 2kgg s GLN 20 CO 0.01 0.74 0.86 0.00 -0.55 0.00 0.00 175.29 176.35 2kgg n ASP 22 N 7.15 0.82 0.00 0.00 9.92 -1.17 -2.22 116.55 131.06 2kgg n ASP 22 Ca -0.04 -1.86 0.11 0.00 -0.53 0.00 0.00 54.79 52.47 2kgg n ASP 22 Cb 0.46 -0.41 0.14 0.00 -0.64 0.00 0.00 41.12 40.67 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgg n GLY 23 N 0.08 -1.19 0.00 0.44 0.00 -1.26 -4.93 105.19 98.34 2kgg n GLY 23 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2kgg n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgg n GLY 24 N 1.49 0.52 0.09 -0.02 0.00 -1.20 -4.93 105.19 101.14 2kgg n GLY 24 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2kgg n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgg n ASP 26 N -2.94 -5.23 -4.90 0.00 8.00 -0.94 -4.98 116.55 105.56 2kgg n ASP 26 Ca -0.18 0.41 -0.28 0.00 0.71 0.00 0.00 54.79 55.45 2kgg n ASP 26 Cb 1.02 -4.40 0.02 0.00 -0.02 0.00 0.00 41.12 37.74 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgg s GLU 27 N -3.39 3.24 -0.18 -1.24 2.02 -1.26 -4.74 118.70 113.15 2kgg s GLU 27 Ca 0.00 0.30 -0.04 0.00 0.02 0.00 0.00 54.97 55.24 2kgg s GLU 27 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 2kgg s GLU 27 CO 0.00 -0.58 -0.02 -1.58 0.02 0.00 0.00 175.26 173.10 2kgg s TRP 28 N -3.02 3.03 0.29 1.61 0.52 -1.26 -1.81 118.94 118.30 2kgg s TRP 28 Ca 0.53 -0.41 0.11 0.00 0.02 0.00 0.00 56.10 56.34 2kgg s TRP 28 Cb -0.11 -2.03 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 2kgg s TRP 28 CO 0.48 -0.17 -0.14 -0.06 0.02 0.00 0.00 176.95 177.08 2kgg s PHE 29 N 0.76 2.38 0.01 -1.98 0.40 0.11 -1.43 117.98 118.23 2kgg s PHE 29 Ca -0.01 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 55.88 2kgg s PHE 29 Cb -0.14 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.23 2kgg s PHE 29 CO 0.02 0.67 0.33 -1.01 0.70 0.00 0.00 175.22 175.93 2kgg s HIS 30 N -2.50 3.63 0.13 0.36 3.76 0.11 -1.10 115.29 119.69 2kgg s HIS 30 Ca 0.31 0.76 -0.19 0.00 -0.15 0.00 0.00 55.06 55.79 2kgg s HIS 30 Cb -0.04 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.51 2kgg s HIS 30 CO 0.16 0.62 1.75 1.96 -0.85 0.00 0.00 174.74 178.38 2kgg h GLN 31 N 4.29 0.19 -0.31 1.40 4.20 -1.62 -1.47 115.11 121.78 2kgg h GLN 31 Ca -0.51 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.03 2kgg h GLN 31 Cb 1.21 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2kgg h GLN 31 CO 0.63 0.12 -0.44 -0.24 -0.67 0.00 0.00 178.83 178.24 2kgg h VAL 32 N 0.19 1.28 -0.03 -0.54 3.04 -1.90 0.83 116.25 119.12 2kgg h VAL 32 Ca 0.10 -1.62 -0.15 0.00 -1.01 0.00 0.00 66.70 64.03 2kgg h VAL 32 Cb 0.07 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 2kgg h VAL 32 CO -0.11 0.53 -0.65 0.00 -1.01 0.00 0.00 177.57 176.33 2kgg n VAL 34 N -3.81 0.54 -2.94 0.00 3.14 -0.57 -4.34 118.33 110.34 2kgg n VAL 34 Ca -0.02 -0.77 -0.01 0.00 -2.96 0.00 0.00 64.34 60.59 2kgg n VAL 34 Cb 0.64 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.34 2kgg n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kgg n GLY 35 N 1.16 -1.19 3.39 7.55 0.00 -0.41 -5.05 105.19 110.64 2kgg n GLY 35 Ca 0.16 0.49 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 2kgg n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kgg s VAL 36 N -2.95 2.31 0.13 1.61 1.01 0.28 -5.00 120.40 117.79 2kgg s VAL 36 Ca 0.02 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 2kgg s VAL 36 Cb -0.01 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2kgg s VAL 36 CO 0.70 0.21 0.31 -0.94 0.00 0.00 0.00 175.10 175.38 2kgg s SER 37 N -1.73 6.39 0.38 3.32 1.04 -1.26 -4.41 113.70 117.42 2kgg s SER 37 Ca 0.14 0.36 0.14 0.00 0.48 0.00 0.00 55.95 57.07 2kgg s SER 37 Cb -0.10 -2.00 0.98 0.00 0.10 0.00 0.00 66.02 65.00 2kgg s SER 37 CO 0.05 0.07 1.81 1.55 0.98 0.00 0.00 173.24 177.70 2kgg h PRO 38 N 2.58 0.50 0.00 4.02 0.13 -2.00 0.14 132.00 137.38 2kgg h PRO 38 Ca -0.47 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2kgg h PRO 38 Cb 1.17 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2kgg h PRO 38 CO 0.72 0.33 -0.45 0.93 -0.23 0.00 0.00 178.00 179.30 2kgg h GLU 39 N 0.52 0.00 -0.06 0.86 5.08 -2.00 -3.12 114.58 115.86 2kgg h GLU 39 Ca 0.53 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.71 2kgg h GLU 39 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kgg h GLU 39 CO -0.26 0.45 -0.75 1.98 -1.00 0.00 0.00 179.01 179.43 2kgg h MET 40 N 0.00 0.33 -0.59 2.33 4.05 -1.07 -0.03 114.93 119.95 2kgg h MET 40 Ca -0.00 -0.28 0.06 0.00 -0.28 0.00 0.00 59.70 59.19 2kgg h MET 40 Cb 1.00 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.81 2kgg h MET 40 CO 0.06 0.94 0.30 0.00 0.23 0.00 0.00 176.91 178.44 2kgg h ALA 41 N 0.98 0.77 0.02 0.39 0.00 -1.45 -2.01 119.26 117.96 2kgg h ALA 41 Ca -0.03 0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2kgg h ALA 41 Cb 1.32 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2kgg h ALA 41 CO 0.12 -0.04 -2.07 0.39 0.00 0.00 0.00 179.25 177.65 2kgg n GLU 42 N -4.86 0.67 -0.02 0.00 1.02 -1.19 -4.61 120.64 111.66 2kgg n GLU 42 Ca 0.07 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.42 2kgg n GLU 42 Cb 0.17 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 2kgg n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kgg n ASN 43 N -3.01 0.17 -4.42 1.62 3.02 -0.03 -4.98 115.26 107.63 2kgg n ASN 43 Ca -0.28 0.07 -0.20 0.00 -0.03 0.00 0.00 54.58 54.14 2kgg n ASN 43 Cb 1.08 1.44 -0.10 0.00 -0.61 0.00 0.00 39.78 41.59 2kgg n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgg s GLU 44 N -3.21 1.56 -0.25 3.52 2.02 -0.76 -5.03 118.70 116.56 2kgg s GLU 44 Ca -0.07 -1.84 -0.20 0.00 0.02 0.00 0.00 54.97 52.88 2kgg s GLU 44 Cb 0.11 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.46 2kgg s GLU 44 CO 0.87 -0.13 0.62 0.34 0.02 0.00 0.00 175.26 176.99 2kgg s ASP 45 N -3.44 6.58 -0.52 -0.19 2.15 -1.26 -4.59 116.67 115.40 2kgg s ASP 45 Ca 0.34 0.71 -0.27 0.00 0.43 0.00 0.00 52.55 53.75 2kgg s ASP 45 Cb 0.07 -2.34 0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2kgg s ASP 45 CO 0.13 -0.36 1.08 -0.47 -0.17 0.00 0.00 175.17 175.39 2kgg s TYR 46 N 2.44 2.77 0.01 -5.34 5.04 -1.26 -5.02 117.35 115.97 2kgg s TYR 46 Ca 0.26 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 2kgg s TYR 46 Cb -0.16 -4.32 -0.04 0.00 0.35 0.00 0.00 41.96 37.80 2kgg s TYR 46 CO 0.09 -1.35 0.16 0.42 -1.34 0.00 0.00 175.55 173.53 2kgg s ILE 47 N 4.40 5.26 0.54 3.14 -1.09 -1.26 -3.04 121.20 129.15 2kgg s ILE 47 Ca 0.42 -0.26 0.05 0.00 -2.23 0.00 0.00 60.65 58.62 2kgg s ILE 47 Cb -0.09 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.36 2kgg s ILE 47 CO 0.27 0.29 0.34 0.00 -1.23 0.00 0.00 174.94 174.62 2kgg h ILE 49 N 0.84 0.84 0.03 0.00 2.10 -1.99 0.60 117.51 119.92 2kgg h ILE 49 Ca -0.38 -0.25 -0.23 0.00 1.08 0.00 0.00 64.86 65.08 2kgg h ILE 49 Cb 1.31 0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2kgg h ILE 49 CO 0.60 0.13 -0.98 0.78 -1.08 0.00 0.00 178.15 177.60 2kgg h ASN 50 N 0.74 0.43 0.88 2.19 4.21 -2.04 -3.13 115.58 118.86 2kgg h ASN 50 Ca 0.42 -0.37 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 2kgg h ASN 50 Cb 0.47 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 2kgg h ASN 50 CO -0.29 1.19 -0.38 0.00 -1.29 0.00 0.00 177.43 176.66