#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 5.32 -0.05 0.00 2.01 -1.26 -2.73 115.64 118.93 1n4n s THR 2 Ca 0.00 -2.33 -0.19 0.00 0.31 0.00 0.00 61.69 59.48 1n4n s THR 2 Cb 0.00 -4.64 -0.05 0.00 0.01 0.00 0.00 72.50 67.83 1n4n s THR 2 CO 0.00 -1.27 0.55 0.00 -0.69 0.00 0.00 174.62 173.21 1n4n s LYS 4 N 0.06 0.72 -0.20 0.00 2.36 -1.26 -0.71 119.74 120.72 1n4n s LYS 4 Ca 0.29 -0.10 -0.22 0.00 -2.55 0.00 0.00 55.97 53.40 1n4n s LYS 4 Cb -0.17 -0.74 0.06 0.00 -1.05 0.00 0.00 37.83 35.92 1n4n s LYS 4 CO 0.15 -0.06 0.60 0.00 1.55 0.00 0.00 175.35 177.59 1n4n s ALA 5 N 0.79 -1.50 0.34 3.13 0.00 0.37 -4.95 121.76 119.94 1n4n s ALA 5 Ca -0.10 1.60 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 1n4n s ALA 5 Cb -0.13 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 1n4n s ALA 5 CO 0.00 -0.30 1.38 -1.21 0.00 0.00 0.00 175.76 175.63 1n4n s GLU 6 N 0.07 4.27 0.03 0.00 0.41 -1.26 -0.22 118.70 122.00 1n4n s GLU 6 Ca -0.02 2.34 -0.33 0.00 -0.41 0.00 0.00 54.97 56.55 1n4n s GLU 6 Cb -0.04 -3.04 -0.11 0.00 -1.78 0.00 0.00 34.13 29.16 1n4n s GLU 6 CO 0.02 -0.32 1.83 0.00 -0.49 0.00 0.00 175.26 176.31 1n4n h PRO 8 N 8.70 1.01 -1.87 0.00 0.11 -1.92 -2.47 132.00 135.55 1n4n h PRO 8 Ca -0.48 -0.06 -0.34 0.00 0.11 0.00 0.00 66.00 65.23 1n4n h PRO 8 Cb 1.25 -0.23 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 1n4n h PRO 8 CO 0.94 0.67 0.20 0.25 -0.21 0.00 0.00 178.00 179.84 1n4n n THR 9 N -4.57 2.98 -3.70 -1.15 -2.24 -1.26 -4.80 114.28 99.54 1n4n n THR 9 Ca 0.11 -2.08 -0.15 0.00 -2.27 0.00 0.00 64.05 59.66 1n4n n THR 9 Cb 0.11 -1.60 -0.14 0.00 -2.10 0.00 0.00 70.33 66.59 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 -1.03 -0.23 -0.42 4.78 -0.11 -0.93 -5.01 118.94 115.99 1n4n s TRP 10 Ca 0.47 0.65 0.09 0.00 1.22 0.00 0.00 56.10 58.54 1n4n s TRP 10 Cb 0.30 -0.13 0.33 0.00 -1.50 0.00 0.00 33.47 32.47 1n4n s TRP 10 CO -0.10 -0.25 0.93 -3.47 -4.62 0.00 0.00 176.95 169.45 1n4n n ASP 11 N 4.83 -0.81 -3.53 5.86 -0.08 -1.26 -4.89 116.55 116.66 1n4n n ASP 11 Ca -0.15 -3.37 -0.11 0.00 -1.51 0.00 0.00 54.79 49.66 1n4n n ASP 11 Cb 0.51 0.70 -0.02 0.00 2.34 0.00 0.00 41.12 44.65 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1n4n s SER 12 N -1.83 -0.48 -0.05 1.67 0.01 -1.26 -5.14 113.70 106.62 1n4n s SER 12 Ca 0.31 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1n4n s SER 12 Cb 0.32 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 67.14 1n4n s SER 12 CO -0.07 -1.04 1.04 -0.69 0.41 0.00 0.00 173.24 172.89 1n4n s VAL 13 N -3.75 4.68 0.22 3.43 1.01 -1.26 -4.63 120.40 120.11 1n4n s VAL 13 Ca 0.04 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 1n4n s VAL 13 Cb -0.02 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1n4n s VAL 13 CO -0.08 0.07 1.33 0.00 0.00 0.00 0.00 175.10 176.42 1n4n n ILE 15 N 2.36 1.12 -4.03 0.00 2.08 -1.26 -4.99 119.36 114.63 1n4n n ILE 15 Ca 0.05 -0.43 -0.08 0.00 0.56 0.00 0.00 62.75 62.86 1n4n n ILE 15 Cb 0.42 -1.19 -0.10 0.00 -0.75 0.00 0.00 39.64 38.02 1n4n n ILE 15 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1n4n s ASN 16 N -5.90 0.36 0.34 4.38 3.84 -1.26 -5.06 114.94 111.64 1n4n s ASN 16 Ca -0.26 -0.76 0.04 0.00 0.21 0.00 0.00 52.86 52.09 1n4n s ASN 16 Cb 0.07 0.17 0.61 0.00 -0.55 0.00 0.00 41.25 41.55 1n4n s ASN 16 CO 0.45 -0.49 1.88 0.50 -2.79 0.00 0.00 177.10 176.65 1n4n h LYS 17 N 3.70 0.54 -0.07 0.43 3.64 -1.96 -3.25 116.57 119.61 1n4n h LYS 17 Ca -0.33 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1n4n h LYS 17 Cb 1.17 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1n4n h LYS 17 CO 0.55 0.55 -0.45 0.87 -2.27 0.00 0.00 179.45 178.70 1n4n h LYS 18 N 0.52 -0.54 -0.94 1.90 1.57 -1.97 0.27 116.57 117.38 1n4n h LYS 18 Ca 0.11 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.12 1n4n h LYS 18 Cb 0.30 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.63 1n4n h LYS 18 CO 0.01 -0.36 0.53 -1.35 -0.57 0.00 0.00 179.45 177.70 1n4n h PRO 19 N -0.56 0.62 0.01 3.15 0.11 -2.00 0.28 132.00 133.62 1n4n h PRO 19 Ca 0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1n4n h PRO 19 Cb 0.66 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1n4n h PRO 19 CO -0.37 0.41 -0.00 0.00 -0.21 0.00 0.00 178.00 177.83 1n4n h VAL 21 N -0.23 1.11 -0.67 0.00 2.07 0.10 0.13 116.25 118.76 1n4n h VAL 21 Ca -0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1n4n h VAL 21 Cb 0.23 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1n4n h VAL 21 CO 0.00 0.20 0.40 0.00 0.02 0.00 0.00 177.57 178.19 1n4n h ALA 22 N 1.39 0.85 0.13 1.67 0.00 -0.83 0.55 119.26 123.03 1n4n h ALA 22 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1n4n h ALA 22 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1n4n h ALA 22 CO -0.14 0.34 -0.06 0.00 0.00 0.00 0.00 179.25 179.39 1n4n h LYS 25 N 1.33 1.13 0.00 0.00 1.63 0.24 0.27 116.57 121.18 1n4n h LYS 25 Ca 0.35 -0.24 -0.08 0.00 -0.85 0.00 0.00 60.65 59.83 1n4n h LYS 25 Cb -0.10 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.35 1n4n h LYS 25 CO -0.07 0.96 -0.39 1.57 -3.45 0.00 0.00 179.45 178.07 1n4n h LYS 26 N 1.08 0.00 -0.08 1.90 2.10 -0.89 -1.64 116.57 119.04 1n4n h LYS 26 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1n4n h LYS 26 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1n4n h LYS 26 CO -0.01 0.39 0.00 0.00 -2.00 0.00 0.00 179.45 177.83 1n4n n ALA 27 N -2.44 2.52 -2.82 0.07 0.00 -0.69 -4.88 120.51 112.28 1n4n n ALA 27 Ca -0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1n4n n ALA 27 Cb 0.43 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.30 -3.42 -4.07 0.00 4.81 -0.62 -5.03 118.16 109.53 1n4n n LYS 28 Ca 0.08 0.56 -0.32 0.00 -0.87 0.00 0.00 58.31 57.75 1n4n n LYS 28 Cb 0.11 -4.69 -0.07 0.00 0.02 0.00 0.00 35.03 30.40 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 -2.98 3.29 0.12 5.64 0.40 0.89 -5.00 117.98 120.34 1n4n s PHE 29 Ca 0.22 0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.54 1n4n s PHE 29 Cb -0.10 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1n4n s PHE 29 CO 0.27 0.55 1.73 0.77 0.70 0.00 0.00 175.22 179.25 1n4n h SER 30 N 3.88 -0.01 -5.00 1.36 0.02 -1.67 -3.35 113.55 108.78 1n4n h SER 30 Ca -0.48 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 1n4n h SER 30 Cb 1.18 0.04 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 1n4n h SER 30 CO 0.64 0.02 0.10 -0.62 -1.14 0.00 0.00 176.83 175.83 1n4n s ASP 31 N -5.25 -0.56 -0.03 3.07 2.15 -0.51 -4.92 116.67 110.61 1n4n s ASP 31 Ca -0.13 0.57 0.03 0.00 0.43 0.00 0.00 52.55 53.45 1n4n s ASP 31 Cb 0.09 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1n4n s ASP 31 CO 0.68 -0.59 -0.12 -0.83 -0.17 0.00 0.00 175.17 174.14 1n4n s GLY 32 N -1.28 1.61 -0.05 2.66 0.00 -1.26 -0.27 107.32 108.73 1n4n s GLY 32 Ca -0.11 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1n4n s GLY 32 CO 0.08 -0.81 -0.05 -2.38 0.00 0.00 0.00 173.10 169.94 1n4n s HIS 33 N -0.82 0.84 0.32 1.90 -3.43 0.16 -4.29 115.29 109.98 1n4n s HIS 33 Ca 0.13 -0.25 -0.27 0.00 -0.80 0.00 0.00 55.06 53.86 1n4n s HIS 33 Cb -0.11 -0.73 -0.09 0.00 -1.43 0.00 0.00 32.58 30.22 1n4n s HIS 33 CO 0.03 -0.21 1.07 0.00 -2.00 0.00 0.00 174.74 173.62 1n4n n SER 35 N 0.73 0.00 0.00 0.00 3.41 0.27 -4.87 113.62 113.16 1n4n n SER 35 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1n4n n SER 35 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1n4n n SER 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1n4n n LYS 36 N 0.00 0.00 0.16 4.33 4.81 -1.26 -4.46 118.16 121.74 1n4n n LYS 36 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1n4n n LYS 36 Cb 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 35.03 34.58 1n4n n LYS 36 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1n4n h ILE 37 N 0.00 0.00 0.00 3.15 2.04 -1.98 -3.29 117.51 117.43 1n4n h ILE 37 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1n4n h ILE 37 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1n4n h ILE 37 CO 0.00 0.00 -0.74 -0.11 0.00 0.00 0.00 178.15 177.30 1n4n n LEU 38 N -3.14 0.62 -2.59 1.44 7.94 -1.26 -4.95 117.00 115.06 1n4n n LEU 38 Ca -0.05 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.64 1n4n n LEU 38 Cb 0.16 -0.17 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1n4n n LEU 38 CO 0.12 0.07 -0.12 -1.14 -1.11 0.00 0.00 177.39 175.21 1n4n n ARG 39 N -1.78 -3.24 -2.15 1.96 3.00 -1.24 -4.71 116.66 108.50 1n4n n ARG 39 Ca 0.04 0.92 -0.29 0.00 -0.00 0.00 0.00 57.85 58.52 1n4n n ARG 39 Cb 0.39 -5.61 0.03 0.00 0.00 0.00 0.00 32.46 27.27 1n4n n ARG 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1n4n s ARG 40 N -5.34 3.10 -0.52 -0.14 1.70 -1.26 -0.18 118.95 116.30 1n4n s ARG 40 Ca 0.15 0.32 -0.25 0.00 -0.47 0.00 0.00 55.73 55.48 1n4n s ARG 40 Cb -0.07 -2.16 0.04 0.00 -0.57 0.00 0.00 34.95 32.18 1n4n s ARG 40 CO 0.19 -0.73 0.96 0.00 -1.08 0.00 0.00 175.30 174.64 1n4n s LEU 42 N 4.00 4.06 -0.09 0.00 1.02 0.63 -1.37 118.68 126.93 1n4n s LEU 42 Ca 0.34 0.67 -0.12 0.00 0.02 0.00 0.00 54.13 55.05 1n4n s LEU 42 Cb -0.11 -2.83 -0.05 0.00 0.02 0.00 0.00 46.19 43.22 1n4n s LEU 42 CO 0.22 -0.37 0.28 0.00 0.02 0.00 0.00 176.35 176.50 1n4n s THR 44 N -0.56 1.74 0.16 0.00 -4.23 0.63 -0.48 115.64 112.90 1n4n s THR 44 Ca 0.18 -0.92 -0.24 0.00 -1.18 0.00 0.00 61.69 59.54 1n4n s THR 44 Cb -0.14 -1.46 0.06 0.00 1.34 0.00 0.00 72.50 72.30 1n4n s THR 44 CO 0.07 0.49 0.74 -1.59 -0.54 0.00 0.00 174.62 173.79 1n4n s LYS 45 N -0.30 1.31 0.14 3.99 -2.85 0.11 -1.43 119.74 120.72 1n4n s LYS 45 Ca 0.03 -0.60 -0.29 0.00 -1.00 0.00 0.00 55.97 54.10 1n4n s LYS 45 Cb -0.10 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 1n4n s LYS 45 CO 0.01 -0.59 0.93 -1.83 0.10 0.00 0.00 175.35 173.97 1n4n s GLU 46 N -3.60 4.72 0.00 1.78 -1.05 -1.26 -1.03 118.70 118.25 1n4n s GLU 46 Ca 0.06 1.41 0.00 0.00 -0.15 0.00 0.00 54.97 56.29 1n4n s GLU 46 Cb -0.02 -3.34 0.00 0.00 -0.44 0.00 0.00 34.13 30.32 1n4n s GLU 46 CO -0.05 0.32 0.00 0.00 0.95 0.00 0.00 175.26 176.49