#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 -0.34 -0.04 0.00 2.01 -1.26 -2.74 115.64 113.27 1n4n s THR 2 Ca 0.00 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 1n4n s THR 2 Cb 0.00 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1n4n s THR 2 CO 0.00 -0.06 0.33 0.00 -0.69 0.00 0.00 174.62 174.20 1n4n s LYS 4 N -0.97 1.03 -0.21 0.00 2.20 -1.26 -1.09 119.74 119.44 1n4n s LYS 4 Ca 0.21 -0.24 -0.28 0.00 -0.36 0.00 0.00 55.97 55.31 1n4n s LYS 4 Cb -0.15 -0.95 0.12 0.00 -1.51 0.00 0.00 37.83 35.33 1n4n s LYS 4 CO 0.10 0.01 0.96 0.00 -0.36 0.00 0.00 175.35 176.07 1n4n s ALA 5 N 0.58 -1.92 0.51 3.13 0.00 0.08 -4.95 121.76 119.19 1n4n s ALA 5 Ca -0.09 1.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.36 1n4n s ALA 5 Cb -0.12 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 1n4n s ALA 5 CO 0.01 -0.29 1.29 -1.21 0.00 0.00 0.00 175.76 175.56 1n4n s GLU 6 N -0.47 3.37 0.15 0.00 8.01 -1.26 0.04 118.70 128.54 1n4n s GLU 6 Ca -0.00 2.06 -0.32 0.00 0.01 0.00 0.00 54.97 56.72 1n4n s GLU 6 Cb -0.03 -2.31 -0.11 0.00 -4.31 0.00 0.00 34.13 27.37 1n4n s GLU 6 CO -0.01 -0.95 1.80 0.00 0.01 0.00 0.00 175.26 176.11 1n4n h PRO 8 N 8.02 0.81 -1.49 0.00 0.13 -1.92 -1.59 132.00 135.96 1n4n h PRO 8 Ca -0.45 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 63.99 1n4n h PRO 8 Cb 1.22 -0.18 -0.25 0.00 0.13 0.00 0.00 31.00 31.92 1n4n h PRO 8 CO 0.95 0.54 0.81 0.25 -0.23 0.00 0.00 178.00 180.32 1n4n n THR 9 N -4.60 3.46 -3.59 1.56 -2.24 -1.26 -4.85 114.28 102.76 1n4n n THR 9 Ca 0.18 -3.15 -0.15 0.00 -2.27 0.00 0.00 64.05 58.66 1n4n n THR 9 Cb 0.42 -1.26 -0.13 0.00 -2.10 0.00 0.00 70.33 67.26 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 -3.36 -0.39 -0.44 4.78 -0.11 -0.60 -5.04 118.94 113.78 1n4n s TRP 10 Ca 0.55 0.71 0.07 0.00 1.22 0.00 0.00 56.10 58.66 1n4n s TRP 10 Cb 0.44 -0.15 0.26 0.00 -1.50 0.00 0.00 33.47 32.52 1n4n s TRP 10 CO -0.15 -0.45 0.78 -3.47 -4.62 0.00 0.00 176.95 169.03 1n4n n ASP 11 N 5.34 -1.41 -3.88 5.86 -0.08 -1.26 -4.73 116.55 116.40 1n4n n ASP 11 Ca -0.06 -3.12 -0.08 0.00 -1.51 0.00 0.00 54.79 50.03 1n4n n ASP 11 Cb 0.50 0.75 -0.03 0.00 2.34 0.00 0.00 41.12 44.68 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 -1.54 -0.22 -0.07 1.67 0.01 -1.26 -5.14 113.70 107.16 1n4n s SER 12 Ca 0.33 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1n4n s SER 12 Cb 0.23 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 67.09 1n4n s SER 12 CO -0.16 -1.23 1.09 -0.69 0.41 0.00 0.00 173.24 172.66 1n4n s VAL 13 N -3.94 4.55 0.13 3.43 1.01 -1.26 -4.37 120.40 119.94 1n4n s VAL 13 Ca 0.14 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 1n4n s VAL 13 Cb -0.03 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1n4n s VAL 13 CO 0.06 0.02 1.16 0.00 0.00 0.00 0.00 175.10 176.34 1n4n n ILE 15 N 3.00 1.42 -3.95 0.00 2.08 -1.26 -5.01 119.36 115.65 1n4n n ILE 15 Ca 0.05 -0.60 -0.08 0.00 0.56 0.00 0.00 62.75 62.68 1n4n n ILE 15 Cb 0.46 -1.23 -0.08 0.00 -0.75 0.00 0.00 39.64 38.04 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 -6.25 0.23 0.26 4.38 3.84 -1.26 -5.06 114.94 111.07 1n4n s ASN 16 Ca -0.30 -0.80 0.10 0.00 0.21 0.00 0.00 52.86 52.07 1n4n s ASN 16 Cb 0.08 0.31 0.32 0.00 -0.55 0.00 0.00 41.25 41.41 1n4n s ASN 16 CO 0.62 -0.71 1.59 0.50 -2.79 0.00 0.00 177.10 176.31 1n4n h LYS 17 N 2.85 0.02 -0.62 0.43 3.64 -1.95 -3.32 116.57 117.61 1n4n h LYS 17 Ca -0.34 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1n4n h LYS 17 Cb 1.18 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1n4n h LYS 17 CO 0.58 0.65 0.22 1.57 -2.27 0.00 0.00 179.45 180.20 1n4n h LYS 18 N 0.01 0.37 -0.95 1.90 2.10 -1.97 -0.17 116.57 117.86 1n4n h LYS 18 Ca -0.01 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1n4n h LYS 18 Cb 1.13 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 32.32 1n4n h LYS 18 CO 0.08 0.25 0.62 -1.35 -2.00 0.00 0.00 179.45 177.05 1n4n h PRO 19 N 0.39 1.18 -0.12 0.07 0.11 -1.99 -1.10 132.00 130.53 1n4n h PRO 19 Ca 0.32 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1n4n h PRO 19 Cb 0.42 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1n4n h PRO 19 CO -0.34 0.78 0.06 0.00 -0.21 0.00 0.00 178.00 178.29 1n4n h VAL 21 N 0.07 1.06 -0.12 0.00 2.07 -0.56 0.13 116.25 118.91 1n4n h VAL 21 Ca 0.04 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1n4n h VAL 21 Cb 0.11 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1n4n h VAL 21 CO -0.01 0.18 0.05 0.00 0.02 0.00 0.00 177.57 177.81 1n4n h ALA 22 N 1.53 0.15 -0.44 1.67 0.00 -0.82 0.52 119.26 121.88 1n4n h ALA 22 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1n4n h ALA 22 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1n4n h ALA 22 CO -0.13 -0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.13 1n4n h LYS 25 N 0.90 0.41 0.00 0.00 1.63 0.51 0.21 116.57 120.23 1n4n h LYS 25 Ca 0.18 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1n4n h LYS 25 Cb 0.41 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1n4n h LYS 25 CO 0.01 0.47 -0.27 1.57 -3.45 0.00 0.00 179.45 177.78 1n4n h LYS 26 N 0.27 0.00 -0.20 1.90 2.10 -1.26 -1.19 116.57 118.19 1n4n h LYS 26 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1n4n h LYS 26 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1n4n h LYS 26 CO -0.00 0.27 0.00 0.00 -2.00 0.00 0.00 179.45 177.72 1n4n n ALA 27 N -2.39 2.49 -2.85 0.07 0.00 -0.66 -4.90 120.51 112.27 1n4n n ALA 27 Ca -0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1n4n n ALA 27 Cb 0.35 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 0.01 -1.62 -4.21 0.00 3.00 -0.45 -5.02 118.16 109.87 1n4n n LYS 28 Ca 0.06 0.80 -0.17 0.00 -0.00 0.00 0.00 58.31 59.00 1n4n n LYS 28 Cb 0.16 -4.90 -0.12 0.00 0.00 0.00 0.00 35.03 30.16 1n4n n LYS 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1n4n s PHE 29 N -3.25 1.00 0.06 5.64 0.40 0.69 -4.90 117.98 117.63 1n4n s PHE 29 Ca 0.29 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 56.00 1n4n s PHE 29 Cb -0.04 -0.59 -0.14 0.00 0.51 0.00 0.00 43.02 42.77 1n4n s PHE 29 CO 0.58 0.01 1.55 0.77 0.70 0.00 0.00 175.22 178.83 1n4n h SER 30 N 4.73 0.14 -3.91 1.36 0.02 -1.27 -3.35 113.55 111.27 1n4n h SER 30 Ca -0.37 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 1n4n h SER 30 Cb 1.19 -0.04 -0.21 0.00 0.14 0.00 0.00 62.40 63.48 1n4n h SER 30 CO 0.42 0.32 0.14 -0.62 -1.14 0.00 0.00 176.83 175.96 1n4n s ASP 31 N -5.55 -0.74 -0.06 3.07 -1.08 -0.84 -4.93 116.67 106.54 1n4n s ASP 31 Ca -0.14 1.42 -0.02 0.00 -0.52 0.00 0.00 52.55 53.29 1n4n s ASP 31 Cb 0.05 1.43 -0.04 0.00 -1.46 0.00 0.00 42.92 42.91 1n4n s ASP 31 CO 0.69 -0.24 0.04 -0.83 0.52 0.00 0.00 175.17 175.34 1n4n s GLY 32 N 0.43 1.93 -0.07 2.66 0.00 -1.26 -1.45 107.32 109.56 1n4n s GLY 32 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1n4n s GLY 32 CO -0.00 -0.62 -0.17 -2.38 0.00 0.00 0.00 173.10 169.93 1n4n s HIS 33 N -0.99 1.83 0.32 1.90 -3.43 0.15 -4.24 115.29 110.82 1n4n s HIS 33 Ca 0.16 -0.67 -0.29 0.00 -0.80 0.00 0.00 55.06 53.47 1n4n s HIS 33 Cb -0.12 -1.27 -0.10 0.00 -1.43 0.00 0.00 32.58 29.66 1n4n s HIS 33 CO 0.06 -0.29 1.31 0.00 -2.00 0.00 0.00 174.74 173.82 1n4n s SER 35 N -0.40 6.21 -0.10 0.00 0.15 -0.49 -4.84 113.70 114.23 1n4n s SER 35 Ca 0.50 2.08 -0.04 0.00 0.70 0.00 0.00 55.95 59.18 1n4n s SER 35 Cb -0.40 -2.58 -0.26 0.00 -1.71 0.00 0.00 66.02 61.07 1n4n s SER 35 CO 0.51 -0.88 0.46 0.50 1.20 0.00 0.00 173.24 175.04 1n4n h LYS 36 N 1.70 0.24 0.00 5.44 3.64 -1.93 -2.95 116.57 122.71 1n4n h LYS 36 Ca -0.49 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.47 1n4n h LYS 36 Cb 1.24 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1n4n h LYS 36 CO 0.59 1.12 0.00 -0.89 -2.27 0.00 0.00 179.45 178.01 1n4n n ILE 37 N -3.43 0.00 1.01 2.00 5.41 -1.26 -4.09 119.36 119.00 1n4n n ILE 37 Ca -0.28 1.01 0.13 0.00 1.00 0.00 0.00 62.75 64.60 1n4n n ILE 37 Cb 1.05 -1.93 0.37 0.00 -0.71 0.00 0.00 39.64 38.42 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 -1.67 0.36 -2.17 1.39 7.94 -1.26 -4.94 117.00 116.65 1n4n n LEU 38 Ca 0.00 0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.88 1n4n n LEU 38 Cb 0.00 -0.32 0.02 0.00 0.53 0.00 0.00 43.42 43.64 1n4n n LEU 38 CO 0.00 0.09 -0.07 -1.14 -1.11 0.00 0.00 177.39 175.16 1n4n n ARG 39 N -1.48 -2.88 0.00 1.96 3.00 -1.11 -4.81 116.66 111.34 1n4n n ARG 39 Ca 0.06 0.73 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 1n4n n ARG 39 Cb 0.34 -5.13 0.00 0.00 0.00 0.00 0.00 32.46 27.66 1n4n n ARG 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1n4n n ARG 40 N -3.00 3.47 -3.69 -0.14 1.74 -1.25 -0.09 116.66 113.70 1n4n n ARG 40 Ca -0.12 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.71 1n4n n ARG 40 Cb 0.61 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.88 1n4n n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4n s LEU 42 N 2.04 3.98 -0.14 0.00 1.02 0.54 -1.84 118.68 124.28 1n4n s LEU 42 Ca 0.03 0.06 -0.08 0.00 0.02 0.00 0.00 54.13 54.16 1n4n s LEU 42 Cb -0.15 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 1n4n s LEU 42 CO -0.07 0.07 0.15 0.00 0.02 0.00 0.00 176.35 176.52 1n4n s THR 44 N -0.68 1.78 0.37 0.00 -4.23 -0.53 -0.74 115.64 111.60 1n4n s THR 44 Ca 0.14 -1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1n4n s THR 44 Cb -0.12 -1.52 0.05 0.00 1.34 0.00 0.00 72.50 72.25 1n4n s THR 44 CO 0.03 0.31 0.80 -1.59 -0.54 0.00 0.00 174.62 173.63 1n4n s LYS 45 N -1.03 2.15 0.26 3.99 -2.85 -0.25 -0.83 119.74 121.17 1n4n s LYS 45 Ca 0.09 -1.37 -0.29 0.00 -1.00 0.00 0.00 55.97 53.39 1n4n s LYS 45 Cb -0.09 0.61 -0.09 0.00 -2.06 0.00 0.00 37.83 36.20 1n4n s LYS 45 CO 0.01 -1.00 0.96 -1.83 0.10 0.00 0.00 175.35 173.59 1n4n s GLU 46 N -2.39 4.79 0.00 1.78 1.03 -1.26 -0.87 118.70 121.79 1n4n s GLU 46 Ca 0.16 1.51 0.00 0.00 0.03 0.00 0.00 54.97 56.66 1n4n s GLU 46 Cb -0.05 -3.20 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 1n4n s GLU 46 CO 0.11 0.44 0.00 0.00 -1.33 0.00 0.00 175.26 174.48