#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 -0.16 0.00 2.01 -1.22 -3.47 115.64 112.46 1n4n s THR 2 Ca 0.00 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 1n4n s THR 2 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1n4n s THR 2 CO 0.00 0.05 0.06 0.00 -0.69 0.00 0.00 174.62 174.04 1n4n s LYS 4 N -0.01 0.93 -0.28 0.00 2.36 -1.26 -1.17 119.74 120.31 1n4n s LYS 4 Ca 0.06 -0.20 -0.21 0.00 -2.55 0.00 0.00 55.97 53.07 1n4n s LYS 4 Cb -0.12 -0.88 0.08 0.00 -1.05 0.00 0.00 37.83 35.86 1n4n s LYS 4 CO 0.01 0.00 0.76 0.00 1.55 0.00 0.00 175.35 177.68 1n4n s ALA 5 N 0.59 -1.87 0.44 3.13 0.00 -0.31 -4.97 121.76 118.77 1n4n s ALA 5 Ca -0.09 2.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.80 1n4n s ALA 5 Cb -0.12 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1n4n s ALA 5 CO 0.01 -0.34 1.19 -1.21 0.00 0.00 0.00 175.76 175.40 1n4n s GLU 6 N 0.88 3.82 -0.12 0.00 8.01 -1.26 -0.41 118.70 129.62 1n4n s GLU 6 Ca -0.04 1.85 -0.38 0.00 0.01 0.00 0.00 54.97 56.41 1n4n s GLU 6 Cb -0.05 -2.50 -0.16 0.00 -4.31 0.00 0.00 34.13 27.11 1n4n s GLU 6 CO -0.08 -0.52 1.59 0.00 0.01 0.00 0.00 175.26 176.26 1n4n h PRO 8 N 6.24 0.62 -1.91 0.00 0.13 -1.92 -1.99 132.00 133.18 1n4n h PRO 8 Ca -0.47 -0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.10 1n4n h PRO 8 Cb 1.32 -0.14 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1n4n h PRO 8 CO 0.89 0.41 0.49 0.25 -0.23 0.00 0.00 178.00 179.81 1n4n n THR 9 N -4.83 3.30 -3.70 1.56 -2.24 -1.26 -4.84 114.28 102.27 1n4n n THR 9 Ca 0.10 -3.00 -0.23 0.00 -2.27 0.00 0.00 64.05 58.65 1n4n n THR 9 Cb 0.24 -1.51 -0.17 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.08 0.43 0.00 4.78 -0.11 -0.75 -4.95 118.94 116.27 1n4n s TRP 10 Ca 0.55 -0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.72 1n4n s TRP 10 Cb 0.38 -0.71 0.00 0.00 -1.50 0.00 0.00 33.47 31.64 1n4n s TRP 10 CO -0.22 -0.36 0.12 -0.40 -4.62 0.00 0.00 176.95 171.47 1n4n n ASP 11 N 5.21 0.23 -1.84 5.86 5.75 -1.26 -4.87 116.55 125.62 1n4n n ASP 11 Ca -0.06 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1n4n n ASP 11 Cb 0.49 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n4n n SER 12 N -0.17 0.06 -4.70 -1.12 2.88 -1.26 -5.09 113.62 104.22 1n4n n SER 12 Ca 0.00 -0.92 -0.39 0.00 -1.33 0.00 0.00 58.87 56.23 1n4n n SER 12 Cb 0.09 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 1n4n n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1n4n s VAL 13 N 1.02 5.07 -0.64 2.46 1.01 -1.26 -4.67 120.40 123.39 1n4n s VAL 13 Ca 0.00 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 1n4n s VAL 13 Cb 0.00 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1n4n s VAL 13 CO 0.00 0.23 1.17 0.00 0.00 0.00 0.00 175.10 176.50 1n4n n ILE 15 N 6.43 1.51 -3.98 0.00 5.41 -1.26 -4.85 119.36 122.61 1n4n n ILE 15 Ca 0.04 -0.15 -0.34 0.00 1.00 0.00 0.00 62.75 63.31 1n4n n ILE 15 Cb 0.48 -2.08 -0.06 0.00 -0.71 0.00 0.00 39.64 37.28 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 -6.82 6.10 0.30 4.38 3.84 -1.26 -5.01 114.94 116.47 1n4n s ASN 16 Ca -0.33 0.29 0.05 0.00 0.21 0.00 0.00 52.86 53.08 1n4n s ASN 16 Cb 0.10 -1.87 0.49 0.00 -0.55 0.00 0.00 41.25 39.42 1n4n s ASN 16 CO 0.46 0.29 1.75 0.50 -2.79 0.00 0.00 177.10 177.32 1n4n h LYS 17 N 4.13 0.38 0.09 0.43 3.64 -1.93 -3.29 116.57 120.03 1n4n h LYS 17 Ca -0.50 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 58.76 1n4n h LYS 17 Cb 1.19 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1n4n h LYS 17 CO 0.65 0.62 -0.41 0.87 -2.27 0.00 0.00 179.45 178.90 1n4n h LYS 18 N 0.34 -0.61 -0.77 1.90 1.79 -1.95 0.73 116.57 118.01 1n4n h LYS 18 Ca 0.05 0.04 0.15 0.00 -2.18 0.00 0.00 60.65 58.71 1n4n h LYS 18 Cb 0.65 0.14 -0.10 0.00 -1.58 0.00 0.00 32.23 31.34 1n4n h LYS 18 CO 0.05 -0.40 0.31 -1.35 -1.08 0.00 0.00 179.45 176.98 1n4n h PRO 19 N -0.63 0.44 0.20 3.15 0.11 -2.00 0.14 132.00 133.41 1n4n h PRO 19 Ca 0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1n4n h PRO 19 Cb 0.67 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1n4n h PRO 19 CO -0.25 0.29 -0.09 0.00 -0.21 0.00 0.00 178.00 177.73 1n4n h VAL 21 N -0.46 1.04 -0.50 0.00 2.07 -0.24 0.14 116.25 118.30 1n4n h VAL 21 Ca -0.03 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1n4n h VAL 21 Cb 0.35 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1n4n h VAL 21 CO 0.04 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.08 1n4n h ALA 22 N 1.58 0.64 -0.31 1.67 0.00 -0.52 0.16 119.26 122.48 1n4n h ALA 22 Ca 0.34 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1n4n h ALA 22 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n4n h ALA 22 CO -0.12 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.15 1n4n h LYS 25 N 0.77 0.90 0.00 0.00 2.10 -0.64 0.47 116.57 120.17 1n4n h LYS 25 Ca 0.22 -0.30 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 1n4n h LYS 25 Cb -0.06 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.19 1n4n h LYS 25 CO -0.06 0.95 -0.10 1.57 -2.00 0.00 0.00 179.45 179.81 1n4n h LYS 26 N 0.82 0.00 -0.61 0.07 5.09 -1.00 -1.55 116.57 119.38 1n4n h LYS 26 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.88 1n4n h LYS 26 Cb 0.60 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.93 1n4n h LYS 26 CO 0.04 0.10 0.00 0.00 -2.09 0.00 0.00 179.45 177.50 1n4n n ALA 27 N -2.17 2.40 -2.99 0.07 0.00 -0.35 -4.95 120.51 112.53 1n4n n ALA 27 Ca -0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 53.44 52.23 1n4n n ALA 27 Cb 0.33 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 1.33 -3.65 -4.61 0.00 4.81 -0.58 -5.03 118.16 110.43 1n4n n LYS 28 Ca 0.21 0.66 -0.27 0.00 -0.87 0.00 0.00 58.31 58.03 1n4n n LYS 28 Cb 0.53 -4.97 -0.14 0.00 0.02 0.00 0.00 35.03 30.47 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 -3.29 2.08 0.11 5.64 0.40 0.16 -4.99 117.98 118.10 1n4n s PHE 29 Ca 0.15 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.91 1n4n s PHE 29 Cb -0.02 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1n4n s PHE 29 CO 0.56 0.18 1.63 0.77 0.70 0.00 0.00 175.22 179.06 1n4n h SER 30 N 4.49 0.47 -5.02 1.36 0.02 -1.79 -3.33 113.55 109.75 1n4n h SER 30 Ca -0.46 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.21 1n4n h SER 30 Cb 1.16 -0.12 -0.17 0.00 0.14 0.00 0.00 62.40 63.40 1n4n h SER 30 CO 0.42 0.55 -0.03 -0.62 -1.14 0.00 0.00 176.83 176.00 1n4n s ASP 31 N -5.83 -0.38 0.01 3.07 2.15 -0.57 -4.94 116.67 110.18 1n4n s ASP 31 Ca -0.13 0.18 0.08 0.00 0.43 0.00 0.00 52.55 53.11 1n4n s ASP 31 Cb 0.09 0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 43.14 1n4n s ASP 31 CO 0.74 -0.65 -0.25 -0.83 -0.17 0.00 0.00 175.17 174.01 1n4n s GLY 32 N -1.78 1.35 -0.07 2.66 0.00 -1.26 -0.01 107.32 108.20 1n4n s GLY 32 Ca -0.07 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 43.41 1n4n s GLY 32 CO 0.01 -1.03 0.18 -2.38 0.00 0.00 0.00 173.10 169.88 1n4n s HIS 33 N -0.71 -0.20 0.25 1.90 -3.43 0.10 -4.41 115.29 108.79 1n4n s HIS 33 Ca 0.11 0.51 -0.30 0.00 -0.80 0.00 0.00 55.06 54.58 1n4n s HIS 33 Cb -0.10 0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 31.00 1n4n s HIS 33 CO 0.01 -0.12 1.26 0.00 -2.00 0.00 0.00 174.74 173.89 1n4n s SER 35 N -0.13 4.44 -0.04 0.00 1.04 0.32 -4.86 113.70 114.46 1n4n s SER 35 Ca 0.52 0.56 0.10 0.00 0.48 0.00 0.00 55.95 57.60 1n4n s SER 35 Cb -0.36 -1.05 -0.23 0.00 0.10 0.00 0.00 66.02 64.47 1n4n s SER 35 CO 0.43 -1.90 0.68 0.50 0.98 0.00 0.00 173.24 173.93 1n4n h LYS 36 N -0.95 0.04 0.00 4.02 3.64 -1.94 -3.33 116.57 118.04 1n4n h LYS 36 Ca -0.45 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1n4n h LYS 36 Cb 1.31 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1n4n h LYS 36 CO 0.60 0.63 0.00 -0.89 -2.27 0.00 0.00 179.45 177.51 1n4n n ILE 37 N -3.13 0.00 1.30 2.00 5.41 -1.26 -4.38 119.36 119.30 1n4n n ILE 37 Ca -0.17 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.64 1n4n n ILE 37 Cb 1.04 -0.43 0.37 0.00 -0.71 0.00 0.00 39.64 39.91 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 -2.41 1.39 7.94 -1.26 -4.82 117.00 117.84 1n4n n LEU 38 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 1n4n n LEU 38 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1n4n n LEU 38 CO 0.00 0.00 -0.12 -1.14 -1.11 0.00 0.00 177.39 175.02 1n4n n ARG 39 N -0.80 -2.95 -2.23 1.96 3.00 -1.25 -4.77 116.66 109.62 1n4n n ARG 39 Ca 0.09 0.86 -0.33 0.00 -0.00 0.00 0.00 57.85 58.47 1n4n n ARG 39 Cb 0.04 -5.45 -0.01 0.00 0.00 0.00 0.00 32.46 27.05 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 -5.25 3.55 -0.52 -0.14 0.52 -1.26 0.04 118.95 115.89 1n4n s ARG 40 Ca 0.14 1.19 -0.28 0.00 -0.52 0.00 0.00 55.73 56.25 1n4n s ARG 40 Cb -0.06 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.36 1n4n s ARG 40 CO 0.17 -0.62 1.27 0.00 0.02 0.00 0.00 175.30 176.14 1n4n s LEU 42 N 5.18 4.07 -0.11 0.00 1.02 0.77 -0.49 118.68 129.11 1n4n s LEU 42 Ca 0.50 0.41 -0.13 0.00 0.02 0.00 0.00 54.13 54.93 1n4n s LEU 42 Cb -0.09 -2.51 -0.05 0.00 0.02 0.00 0.00 46.19 43.56 1n4n s LEU 42 CO 0.28 -0.19 0.29 0.00 0.02 0.00 0.00 176.35 176.76 1n4n s THR 44 N -0.20 1.15 0.09 0.00 -4.23 0.98 -1.16 115.64 112.27 1n4n s THR 44 Ca 0.18 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 59.69 1n4n s THR 44 Cb -0.14 -0.99 0.07 0.00 1.34 0.00 0.00 72.50 72.79 1n4n s THR 44 CO 0.06 0.23 0.65 -1.59 -0.54 0.00 0.00 174.62 173.44 1n4n s LYS 45 N -0.59 1.18 0.39 3.99 -2.85 -0.32 -1.51 119.74 120.03 1n4n s LYS 45 Ca 0.05 -0.26 -0.24 0.00 -1.00 0.00 0.00 55.97 54.52 1n4n s LYS 45 Cb -0.06 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 36.16 1n4n s LYS 45 CO 0.00 -0.48 1.00 -1.83 0.10 0.00 0.00 175.35 174.14 1n4n s GLU 46 N -3.00 4.29 0.00 1.78 1.03 -1.26 0.67 118.70 122.21 1n4n s GLU 46 Ca -0.02 1.37 0.00 0.00 0.03 0.00 0.00 54.97 56.35 1n4n s GLU 46 Cb -0.01 -2.53 0.00 0.00 -0.80 0.00 0.00 34.13 30.80 1n4n s GLU 46 CO -0.07 -0.01 0.00 0.00 -1.33 0.00 0.00 175.26 173.86