#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kji s GLU 2 N 0.00 1.53 0.00 1.61 -1.05 -1.26 -5.02 118.70 114.51 2kji s GLU 2 Ca 0.00 1.70 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 2kji s GLU 2 Cb 0.00 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 2kji s GLU 2 CO 0.00 -2.29 0.00 -2.37 0.95 0.00 0.00 175.26 171.55 2kji n THR 3 N -3.49 0.00 -3.20 1.83 5.66 -1.26 -5.18 114.28 108.64 2kji n THR 3 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2kji n THR 3 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2kji n THR 3 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2kji n ARG 4 N 0.00 2.82 0.00 1.09 0.63 -1.26 -5.15 116.66 114.79 2kji n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kji n ARG 4 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2kji n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kji n ALA 5 N -3.00 0.00 0.02 5.13 0.00 -1.26 -5.02 120.51 116.38 2kji n ALA 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kji n ALA 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kji n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kji h GLY 7 N 0.00 1.35 0.76 0.00 0.00 -2.00 0.31 103.07 103.49 2kji h GLY 7 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2kji h GLY 7 CO 0.00 0.15 -0.29 3.21 0.00 0.00 0.00 176.54 179.61 2kji h ARG 8 N 0.85 0.41 -0.96 4.80 2.47 -1.98 -2.59 114.38 117.38 2kji h ARG 8 Ca 0.41 -0.28 0.24 0.00 -1.26 0.00 0.00 59.98 59.10 2kji h ARG 8 Cb 0.36 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.66 2kji h ARG 8 CO -0.24 0.89 0.65 0.87 0.56 0.00 0.00 179.97 182.70 2kji h LYS 9 N -0.01 0.26 -0.00 0.04 1.79 -1.18 2.72 116.57 120.18 2kji h LYS 9 Ca -0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2kji h LYS 9 Cb 0.90 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2kji h LYS 9 CO 0.06 0.17 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.44 2kji h LEU 10 N 0.27 0.09 -0.05 2.94 -0.00 -0.28 -1.48 115.31 116.80 2kji h LEU 10 Ca 0.50 -0.77 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2kji h LEU 10 Cb 1.48 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 2kji h LEU 10 CO -0.15 0.84 0.00 0.00 -0.00 0.00 0.00 178.44 179.14 2kji n ILE 11 N -4.64 0.61 -0.06 1.22 0.13 -0.44 -2.49 119.36 113.69 2kji n ILE 11 Ca -0.09 -0.25 -0.06 0.00 -1.10 0.00 0.00 62.75 61.24 2kji n ILE 11 Cb 0.42 -0.62 -0.05 0.00 -0.84 0.00 0.00 39.64 38.55 2kji n ILE 11 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 2kji h SER 12 N 0.00 0.00 -0.65 9.51 0.02 0.47 -1.92 113.55 120.99 2kji h SER 12 Ca 0.00 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2kji h SER 12 Cb 0.71 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2kji h SER 12 CO 0.00 0.75 0.36 0.17 -1.14 0.00 0.00 176.83 176.96 2kji h LEU 13 N -1.00 0.82 -0.32 5.07 -0.00 -1.37 -2.41 115.31 116.10 2kji h LEU 13 Ca -0.03 -0.07 -0.19 0.00 -0.00 0.00 0.00 57.88 57.60 2kji h LEU 13 Cb 0.44 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2kji h LEU 13 CO -0.02 0.67 -0.61 -0.37 -0.00 0.00 0.00 178.44 178.11 2kji h VAL 14 N 0.93 1.29 -0.91 0.15 -1.51 -1.62 -2.21 116.25 112.37 2kji h VAL 14 Ca 0.24 -1.82 0.26 0.00 -1.23 0.00 0.00 66.70 64.15 2kji h VAL 14 Cb 0.04 1.76 -0.04 0.00 -2.13 0.00 0.00 31.29 30.92 2kji h VAL 14 CO -0.04 0.58 0.86 0.00 -1.23 0.00 0.00 177.57 177.74 2kji h MET 15 N 0.57 0.00 0.00 5.19 -0.00 -0.82 3.15 114.93 123.02 2kji h MET 15 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.57 2kji h MET 15 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.79 2kji h MET 15 CO 0.13 0.00 -1.68 0.00 -0.00 0.00 0.00 176.91 175.35 2kji n ALA 16 N -2.46 2.21 -0.02 -3.00 0.00 -1.00 -2.49 120.51 113.75 2kji n ALA 16 Ca 0.19 -0.62 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 2kji n ALA 16 Cb 1.16 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 2kji n ALA 16 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kji n VAL 17 N -2.65 1.71 -0.04 0.00 0.24 0.60 -4.53 118.33 113.67 2kji n VAL 17 Ca -0.10 -0.68 -0.01 0.00 -2.04 0.00 0.00 64.34 61.51 2kji n VAL 17 Cb 0.77 -1.54 -0.00 0.00 -1.47 0.00 0.00 33.84 31.60 2kji n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kji n GLY 19 N 1.80 3.16 0.78 0.00 0.00 -1.04 -4.72 105.19 105.17 2kji n GLY 19 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2kji n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kji n ASP 20 N 0.01 3.07 -4.18 1.61 5.68 -1.26 -4.95 116.55 116.53 2kji n ASP 20 Ca 0.00 -1.97 -0.32 0.00 -0.50 0.00 0.00 54.79 52.00 2kji n ASP 20 Cb 0.00 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 39.67 2kji n ASP 20 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2kji n LEU 21 N 0.76 -1.65 0.00 -2.12 -0.00 -1.26 -4.79 117.00 107.94 2kji n LEU 21 Ca 0.14 -1.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.06 2kji n LEU 21 Cb 0.46 -1.98 0.00 0.00 -0.00 0.00 0.00 43.42 41.90 2kji n LEU 21 CO 0.10 0.36 0.22 0.00 -0.00 0.00 0.00 177.39 178.07 2kji s ASN 23 N -2.47 -0.19 -0.96 0.00 2.47 0.74 -4.89 114.94 109.63 2kji s ASN 23 Ca 0.00 0.02 -0.24 0.00 0.42 0.00 0.00 52.86 53.06 2kji s ASN 23 Cb 0.00 1.12 0.04 0.00 -1.45 0.00 0.00 41.25 40.96 2kji s ASN 23 CO 0.00 -0.04 1.42 -2.16 -3.72 0.00 0.00 177.10 172.61 2kji s PRO 24 N 2.97 3.49 0.29 0.43 0.04 -1.26 -4.10 135.00 136.87 2kji s PRO 24 Ca 0.31 -0.92 -0.30 0.00 0.04 0.00 0.00 61.00 60.13 2kji s PRO 24 Cb -0.00 -5.11 -0.11 0.00 0.04 0.00 0.00 34.50 29.31 2kji s PRO 24 CO -0.22 -2.22 1.62 -0.65 0.04 0.00 0.00 177.00 175.56 2kji s GLN 25 N 5.17 4.11 -0.84 4.56 -1.52 -1.26 -4.89 119.66 124.99 2kji s GLN 25 Ca 0.44 2.59 -0.01 0.00 -1.95 0.00 0.00 55.36 56.43 2kji s GLN 25 Cb -0.02 -3.02 0.35 0.00 -0.22 0.00 0.00 33.01 30.10 2kji s GLN 25 CO -0.05 -0.66 1.93 -0.85 -0.25 0.00 0.00 175.29 175.42 2kji n GLU 26 N 2.37 3.16 -0.30 2.91 0.28 -1.26 -4.52 120.64 123.28 2kji n GLU 26 Ca 0.09 -3.75 0.10 0.00 -0.16 0.00 0.00 57.16 53.44 2kji n GLU 26 Cb 0.37 -2.29 0.26 0.00 1.43 0.00 0.00 31.44 31.21 2kji n GLU 26 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kji n GLY 27 N -0.47 2.56 3.75 -1.84 0.00 -1.26 -4.97 105.19 102.96 2kji n GLY 27 Ca 0.52 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2kji n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kji n LYS 28 N 1.26 -1.80 0.00 1.61 0.00 -1.26 -4.89 118.16 113.08 2kji n LYS 28 Ca 0.20 0.44 0.00 0.00 0.00 0.00 0.00 58.31 58.95 2kji n LYS 28 Cb 0.55 -4.20 0.00 0.00 0.00 0.00 0.00 35.03 31.39 2kji n LYS 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kji n ASP 29 N -2.74 0.00 -0.31 3.14 9.92 -1.26 -4.58 116.55 120.72 2kji n ASP 29 Ca -0.15 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.24 2kji n ASP 29 Cb 0.61 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 41.45 2kji n ASP 29 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2kji h ILE 30 N 0.00 0.78 0.00 0.53 3.07 -1.90 0.95 117.51 120.94 2kji h ILE 30 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2kji h ILE 30 Cb 0.00 -0.02 0.00 0.00 -0.27 0.00 0.00 36.82 36.53 2kji h ILE 30 CO 0.00 0.13 0.00 0.00 -1.05 0.00 0.00 178.15 177.23 2kji n ALA 31 N -2.39 2.22 0.24 0.16 0.00 -1.26 -2.86 120.51 116.61 2kji n ALA 31 Ca 0.20 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2kji n ALA 31 Cb 0.53 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.87 2kji n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kji h THR 32 N 0.00 0.00 0.00 0.00 1.03 0.70 -3.18 112.91 111.46 2kji h THR 32 Ca 0.00 -0.88 -0.08 0.00 -0.01 0.00 0.00 66.41 65.45 2kji h THR 32 Cb 0.25 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.19 2kji h THR 32 CO 0.00 0.00 -1.75 -1.84 -0.01 0.00 0.00 175.52 171.92 2kji n GLU 33 N -3.07 0.85 0.00 0.00 0.28 -1.13 -4.41 120.64 113.15 2kji n GLU 33 Ca 0.03 -0.10 0.15 0.00 -0.16 0.00 0.00 57.16 57.08 2kji n GLU 33 Cb 0.48 -1.35 0.67 0.00 1.43 0.00 0.00 31.44 32.67 2kji n GLU 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kji n GLY 36 N -1.40 0.00 2.00 0.00 0.00 -1.25 -4.99 105.19 99.55 2kji n GLY 36 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kji n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kji n ASN 37 N 0.00 -0.05 -4.53 1.61 5.15 -1.12 -5.10 115.26 111.22 2kji n ASN 37 Ca 0.00 0.06 -0.33 0.00 -0.60 0.00 0.00 54.58 53.71 2kji n ASN 37 Cb 0.00 0.09 -0.12 0.00 -0.53 0.00 0.00 39.78 39.22 2kji n ASN 37 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kji s GLN 38 N -1.12 2.68 0.00 1.20 -1.52 0.46 -5.00 119.66 116.36 2kji s GLN 38 Ca 0.00 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 2kji s GLN 38 Cb 0.00 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2kji s GLN 38 CO 0.00 0.63 0.00 0.00 -0.25 0.00 0.00 175.29 175.67 2kji s SER 40 N 0.00 -0.20 0.38 0.00 1.04 -1.26 -4.95 113.70 108.70 2kji s SER 40 Ca 0.00 -0.11 0.17 0.00 0.48 0.00 0.00 55.95 56.49 2kji s SER 40 Cb 0.00 0.30 1.07 0.00 0.10 0.00 0.00 66.02 67.48 2kji s SER 40 CO 0.00 -0.51 1.76 0.44 0.98 0.00 0.00 173.24 175.91 2kji h ASP 41 N 2.00 0.49 0.18 7.02 3.32 -2.03 0.13 116.42 127.54 2kji h ASP 41 Ca -0.20 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2kji h ASP 41 Cb 1.21 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2kji h ASP 41 CO 0.27 0.08 -0.09 -0.78 -1.72 0.00 0.00 179.24 177.01 2kji h ASP 42 N 0.43 -0.21 -1.01 6.45 1.82 -2.02 -2.97 116.42 118.91 2kji h ASP 42 Ca 0.61 -0.31 0.23 0.00 -0.39 0.00 0.00 57.03 57.17 2kji h ASP 42 Cb 1.47 0.05 -0.11 0.00 0.68 0.00 0.00 39.33 41.43 2kji h ASP 42 CO -0.34 0.25 0.62 0.22 -1.61 0.00 0.00 179.24 178.38 2kji h TYR 43 N -0.72 0.93 -0.92 0.28 5.03 -1.49 0.27 116.97 120.35 2kji h TYR 43 Ca -0.02 0.03 0.22 0.00 2.58 0.00 0.00 58.73 61.54 2kji h TYR 43 Cb 0.50 -0.27 -0.12 0.00 1.55 0.00 0.00 36.73 38.38 2kji h TYR 43 CO 0.06 0.12 0.45 0.82 -1.32 0.00 0.00 178.16 178.30 2kji h ILE 44 N 0.59 0.51 -0.75 1.81 5.03 -0.87 -0.68 117.51 123.15 2kji h ILE 44 Ca 0.60 -0.16 0.12 0.00 -0.12 0.00 0.00 64.86 65.30 2kji h ILE 44 Cb 1.18 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.84 2kji h ILE 44 CO -0.39 0.09 -0.38 0.03 -0.68 0.00 0.00 178.15 176.82 2kji h ARG 45 N 0.47 -0.10 0.00 2.37 2.47 -0.48 2.31 114.38 121.41 2kji h ARG 45 Ca 0.58 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.30 2kji h ARG 45 Cb 1.08 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2kji h ARG 45 CO -0.50 -0.07 0.00 0.43 0.56 0.00 0.00 179.97 180.39 2kji n SER 46 N -5.44 0.00 -0.05 7.04 7.64 -0.28 0.98 113.62 123.51 2kji n SER 46 Ca 0.06 -1.00 -0.04 0.00 1.01 0.00 0.00 58.87 58.90 2kji n SER 46 Cb 0.37 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.48 2kji n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kji n ALA 47 N -0.85 1.81 -0.13 -0.43 0.00 0.69 -4.13 120.51 117.47 2kji n ALA 47 Ca 0.13 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 2kji n ALA 47 Cb 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 2kji n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50