#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4n s THR 2 N 0.00 -0.43 -0.03 0.00 2.01 -1.26 -4.08 115.64 111.84 1n4n s THR 2 Ca 0.00 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.19 1n4n s THR 2 Cb 0.00 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1n4n s THR 2 CO 0.00 0.05 -0.23 0.00 -0.69 0.00 0.00 174.62 173.75 1n4n s LYS 4 N -0.37 0.96 -0.26 0.00 2.20 -1.26 -0.66 119.74 120.34 1n4n s LYS 4 Ca 0.04 -0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.10 1n4n s LYS 4 Cb -0.11 -0.92 0.08 0.00 -1.51 0.00 0.00 37.83 35.37 1n4n s LYS 4 CO 0.01 0.23 0.64 0.00 -0.36 0.00 0.00 175.35 175.87 1n4n s ALA 5 N -0.22 -1.74 0.36 3.13 0.00 0.41 -4.96 121.76 118.74 1n4n s ALA 5 Ca 0.03 2.27 -0.27 0.00 0.00 0.00 0.00 51.96 53.99 1n4n s ALA 5 Cb -0.05 -1.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 1n4n s ALA 5 CO -0.00 -0.38 1.22 -1.21 0.00 0.00 0.00 175.76 175.39 1n4n s GLU 6 N 1.64 4.25 -0.23 0.00 8.01 -1.26 -0.68 118.70 130.43 1n4n s GLU 6 Ca -0.10 2.01 -0.41 0.00 0.01 0.00 0.00 54.97 56.49 1n4n s GLU 6 Cb -0.06 -2.92 -0.17 0.00 -4.31 0.00 0.00 34.13 26.68 1n4n s GLU 6 CO -0.19 -0.20 1.61 0.00 0.01 0.00 0.00 175.26 176.49 1n4n h PRO 8 N 6.15 0.47 -1.74 0.00 0.11 -1.91 -1.68 132.00 133.41 1n4n h PRO 8 Ca -0.47 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.23 1n4n h PRO 8 Cb 1.34 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1n4n h PRO 8 CO 0.91 0.31 0.37 0.25 -0.21 0.00 0.00 178.00 179.63 1n4n n THR 9 N -4.94 3.01 -3.71 -1.15 -2.24 -1.26 -4.80 114.28 99.19 1n4n n THR 9 Ca 0.09 -2.19 -0.24 0.00 -2.27 0.00 0.00 64.05 59.44 1n4n n THR 9 Cb 0.26 -1.47 -0.17 0.00 -2.10 0.00 0.00 70.33 66.85 1n4n n THR 9 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1n4n s TRP 10 N -1.64 0.55 -0.37 4.78 -0.11 -0.63 -4.99 118.94 116.53 1n4n s TRP 10 Ca 0.44 -0.29 0.13 0.00 1.22 0.00 0.00 56.10 57.60 1n4n s TRP 10 Cb 0.30 -0.78 0.41 0.00 -1.50 0.00 0.00 33.47 31.91 1n4n s TRP 10 CO -0.09 -0.41 1.13 -3.47 -4.62 0.00 0.00 176.95 169.49 1n4n n ASP 11 N 5.18 -0.37 -3.66 5.86 2.03 -1.26 -4.85 116.55 119.48 1n4n n ASP 11 Ca -0.07 -2.69 -0.10 0.00 0.52 0.00 0.00 54.79 52.45 1n4n n ASP 11 Cb 0.49 0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 41.19 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1n4n s SER 12 N -2.08 0.07 -0.15 1.67 0.01 -1.26 -5.13 113.70 106.83 1n4n s SER 12 Ca 0.25 -1.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.21 1n4n s SER 12 Cb 0.41 0.67 -0.01 0.00 0.21 0.00 0.00 66.02 67.31 1n4n s SER 12 CO -0.03 -1.30 1.09 -0.69 0.41 0.00 0.00 173.24 172.71 1n4n s VAL 13 N -3.54 4.59 0.02 3.43 1.01 -1.26 -4.49 120.40 120.15 1n4n s VAL 13 Ca 0.21 1.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1n4n s VAL 13 Cb -0.02 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1n4n s VAL 13 CO 0.11 -0.08 1.22 0.00 0.00 0.00 0.00 175.10 176.35 1n4n n ILE 15 N 4.21 1.49 -4.02 0.00 5.41 -1.26 -5.00 119.36 120.19 1n4n n ILE 15 Ca 0.10 -0.70 -0.09 0.00 1.00 0.00 0.00 62.75 63.06 1n4n n ILE 15 Cb 0.46 -1.07 -0.11 0.00 -0.71 0.00 0.00 39.64 38.22 1n4n n ILE 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1n4n s ASN 16 N -6.16 0.37 0.29 4.38 3.84 -1.26 -5.05 114.94 111.35 1n4n s ASN 16 Ca -0.22 -0.63 0.00 0.00 0.21 0.00 0.00 52.86 52.22 1n4n s ASN 16 Cb 0.08 0.12 0.44 0.00 -0.55 0.00 0.00 41.25 41.33 1n4n s ASN 16 CO 0.72 -0.36 1.82 0.50 -2.79 0.00 0.00 177.10 176.98 1n4n h LYS 17 N 4.27 0.72 -0.26 0.43 3.64 -1.95 -3.27 116.57 120.14 1n4n h LYS 17 Ca -0.33 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1n4n h LYS 17 Cb 1.19 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.84 1n4n h LYS 17 CO 0.47 0.70 -0.42 0.87 -2.27 0.00 0.00 179.45 178.81 1n4n h LYS 18 N 0.68 -0.39 -0.75 1.90 1.57 -1.97 0.67 116.57 118.29 1n4n h LYS 18 Ca 0.14 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.12 1n4n h LYS 18 Cb 0.36 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.65 1n4n h LYS 18 CO 0.01 -0.26 0.20 -1.35 -0.57 0.00 0.00 179.45 177.48 1n4n h PRO 19 N -0.41 0.27 0.15 3.15 0.11 -2.00 0.28 132.00 133.56 1n4n h PRO 19 Ca 0.11 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1n4n h PRO 19 Cb 0.60 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1n4n h PRO 19 CO -0.48 0.18 -0.07 0.00 -0.21 0.00 0.00 178.00 177.42 1n4n h VAL 21 N -0.38 1.03 -0.23 0.00 2.07 0.08 0.35 116.25 119.17 1n4n h VAL 21 Ca -0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1n4n h VAL 21 Cb 0.30 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1n4n h VAL 21 CO 0.03 0.16 0.11 0.00 0.02 0.00 0.00 177.57 177.90 1n4n h ALA 22 N 1.55 0.27 -0.04 1.67 0.00 -0.21 0.23 119.26 122.74 1n4n h ALA 22 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1n4n h ALA 22 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n4n h ALA 22 CO -0.14 -0.29 0.02 0.00 0.00 0.00 0.00 179.25 178.84 1n4n h LYS 25 N 0.99 0.34 0.00 0.00 1.57 -0.35 0.20 116.57 119.32 1n4n h LYS 25 Ca 0.40 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1n4n h LYS 25 Cb 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1n4n h LYS 25 CO -0.19 0.42 0.00 0.36 -0.57 0.00 0.00 179.45 179.47 1n4n n LYS 26 N -4.78 0.10 0.00 3.15 -0.00 -0.78 -1.60 118.16 114.24 1n4n n LYS 26 Ca -0.03 0.30 0.13 0.00 -0.00 0.00 0.00 58.31 58.70 1n4n n LYS 26 Cb 0.15 -1.68 0.25 0.00 -0.00 0.00 0.00 35.03 33.74 1n4n n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n4n n ALA 27 N -1.64 2.72 -2.56 0.58 0.00 0.16 -4.96 120.51 114.82 1n4n n ALA 27 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 1n4n n ALA 27 Cb 0.23 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1n4n n ALA 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n4n n LYS 28 N 0.57 -2.51 -4.54 0.00 4.81 -0.63 -5.03 118.16 110.83 1n4n n LYS 28 Ca 0.15 0.32 -0.28 0.00 -0.87 0.00 0.00 58.31 57.62 1n4n n LYS 28 Cb 0.48 -3.76 -0.14 0.00 0.02 0.00 0.00 35.03 31.63 1n4n n LYS 28 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1n4n s PHE 29 N -3.13 2.16 0.14 5.64 0.40 0.62 -5.00 117.98 118.80 1n4n s PHE 29 Ca 0.01 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 1n4n s PHE 29 Cb -0.01 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 1n4n s PHE 29 CO 0.27 0.23 1.77 0.77 0.70 0.00 0.00 175.22 178.96 1n4n h SER 30 N 4.29 0.22 -4.61 1.36 0.02 -1.62 -3.37 113.55 109.84 1n4n h SER 30 Ca -0.48 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1n4n h SER 30 Cb 1.16 -0.03 -0.20 0.00 0.14 0.00 0.00 62.40 63.47 1n4n h SER 30 CO 0.41 0.16 0.36 -0.62 -1.14 0.00 0.00 176.83 176.00 1n4n s ASP 31 N -5.39 -0.51 -0.02 3.07 2.15 -0.63 -4.94 116.67 110.40 1n4n s ASP 31 Ca -0.13 0.49 0.05 0.00 0.43 0.00 0.00 52.55 53.39 1n4n s ASP 31 Cb 0.10 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 1n4n s ASP 31 CO 0.70 -0.52 -0.16 -0.83 -0.17 0.00 0.00 175.17 174.19 1n4n s GLY 32 N -1.35 1.54 -0.05 2.66 0.00 -1.26 0.01 107.32 108.87 1n4n s GLY 32 Ca -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.62 1n4n s GLY 32 CO 0.04 -0.89 -0.06 -2.38 0.00 0.00 0.00 173.10 169.81 1n4n s HIS 33 N -0.80 0.87 0.16 1.90 -3.43 0.17 -4.35 115.29 109.81 1n4n s HIS 33 Ca 0.13 -0.26 -0.30 0.00 -0.80 0.00 0.00 55.06 53.82 1n4n s HIS 33 Cb -0.11 -0.73 -0.08 0.00 -1.43 0.00 0.00 32.58 30.24 1n4n s HIS 33 CO 0.02 -0.20 1.22 0.00 -2.00 0.00 0.00 174.74 173.78 1n4n s SER 35 N 0.36 4.07 -0.03 0.00 0.15 0.16 -4.89 113.70 113.53 1n4n s SER 35 Ca 0.55 1.59 0.12 0.00 0.70 0.00 0.00 55.95 58.91 1n4n s SER 35 Cb -0.33 -2.29 -0.23 0.00 -1.71 0.00 0.00 66.02 61.46 1n4n s SER 35 CO 0.35 -2.27 0.72 0.50 1.20 0.00 0.00 173.24 173.74 1n4n h LYS 36 N -1.30 0.00 0.00 5.44 3.64 -1.94 -3.28 116.57 119.13 1n4n h LYS 36 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1n4n h LYS 36 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1n4n h LYS 36 CO 0.54 0.52 0.00 -0.89 -2.27 0.00 0.00 179.45 177.36 1n4n n ILE 37 N -3.06 0.00 1.58 2.00 5.41 -1.26 -4.38 119.36 119.64 1n4n n ILE 37 Ca -0.15 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.69 1n4n n ILE 37 Cb 1.04 -0.51 0.57 0.00 -0.71 0.00 0.00 39.64 40.02 1n4n n ILE 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1n4n n LEU 38 N 0.00 0.00 -1.96 1.39 7.94 -1.26 -4.85 117.00 118.26 1n4n n LEU 38 Ca 0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 1n4n n LEU 38 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1n4n n LEU 38 CO 0.00 0.00 -0.22 -1.14 -1.11 0.00 0.00 177.39 174.92 1n4n n ARG 39 N -0.88 -1.38 -1.77 1.96 3.00 -1.24 -4.54 116.66 111.80 1n4n n ARG 39 Ca 0.14 0.85 -0.33 0.00 -0.00 0.00 0.00 57.85 58.52 1n4n n ARG 39 Cb 0.07 -5.31 0.04 0.00 0.00 0.00 0.00 32.46 27.26 1n4n n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1n4n s ARG 40 N -4.83 2.90 -0.63 -0.14 0.52 -1.26 -2.00 118.95 113.51 1n4n s ARG 40 Ca 0.00 1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 56.24 1n4n s ARG 40 Cb 0.00 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.55 1n4n s ARG 40 CO 0.00 -1.15 1.04 0.00 0.02 0.00 0.00 175.30 175.21 1n4n s LEU 42 N 4.43 4.17 -0.09 0.00 1.02 0.39 -0.26 118.68 128.34 1n4n s LEU 42 Ca 0.30 0.29 -0.17 0.00 0.02 0.00 0.00 54.13 54.57 1n4n s LEU 42 Cb -0.13 -2.95 -0.05 0.00 0.02 0.00 0.00 46.19 43.08 1n4n s LEU 42 CO 0.16 -0.69 0.43 0.00 0.02 0.00 0.00 176.35 176.27 1n4n s THR 44 N 0.13 2.01 0.28 0.00 -4.23 0.10 -0.44 115.64 113.49 1n4n s THR 44 Ca 0.24 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 1n4n s THR 44 Cb -0.15 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 71.98 1n4n s THR 44 CO 0.10 0.37 0.60 -1.59 -0.54 0.00 0.00 174.62 173.56 1n4n s LYS 45 N -1.10 1.72 0.42 3.99 -2.85 0.17 -1.61 119.74 120.48 1n4n s LYS 45 Ca 0.11 -1.20 -0.22 0.00 -1.00 0.00 0.00 55.97 53.65 1n4n s LYS 45 Cb -0.10 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 36.11 1n4n s LYS 45 CO 0.01 -0.76 0.99 -1.83 0.10 0.00 0.00 175.35 173.86 1n4n s GLU 46 N -3.77 4.19 0.00 1.78 1.03 -1.26 -1.07 118.70 119.59 1n4n s GLU 46 Ca 0.18 1.28 0.00 0.00 0.03 0.00 0.00 54.97 56.46 1n4n s GLU 46 Cb -0.03 -2.34 0.00 0.00 -0.80 0.00 0.00 34.13 30.96 1n4n s GLU 46 CO 0.09 -0.08 0.00 0.00 -1.33 0.00 0.00 175.26 173.94