#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 -0.06 0.00 2.01 -1.26 -2.40 115.64 113.50 1n4n s THR 2 Ca 0.00 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1n4n s THR 2 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1n4n s THR 2 CO 0.00 0.08 0.33 0.00 -0.69 0.00 0.00 174.62 174.33 1n4n s LYS 4 N -0.71 0.72 -0.20 0.00 2.20 -1.26 -1.26 119.74 119.23 1n4n s LYS 4 Ca 0.20 -0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 1n4n s LYS 4 Cb -0.15 -0.74 0.13 0.00 -1.51 0.00 0.00 37.83 35.55 1n4n s LYS 4 CO 0.09 -0.06 1.01 0.00 -0.36 0.00 0.00 175.35 176.03 1n4n s ALA 5 N 0.80 -1.95 0.44 3.13 0.00 -0.27 -4.96 121.76 118.96 1n4n s ALA 5 Ca -0.10 1.69 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 1n4n s ALA 5 Cb -0.13 -0.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 1n4n s ALA 5 CO -0.00 -0.28 1.34 -1.21 0.00 0.00 0.00 175.76 175.61 1n4n s GLU 6 N -0.60 3.77 0.10 0.00 8.01 -1.26 -0.49 118.70 128.23 1n4n s GLU 6 Ca -0.00 2.22 -0.33 0.00 0.01 0.00 0.00 54.97 56.87 1n4n s GLU 6 Cb -0.02 -2.64 -0.12 0.00 -4.31 0.00 0.00 34.13 27.03 1n4n s GLU 6 CO -0.01 -0.68 1.72 0.00 0.01 0.00 0.00 175.26 176.30 1n4n h PRO 8 N 7.39 0.92 -1.80 0.00 0.11 -1.91 -2.58 132.00 134.13 1n4n h PRO 8 Ca -0.46 -0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.22 1n4n h PRO 8 Cb 1.24 -0.21 -0.14 0.00 0.11 0.00 0.00 31.00 32.00 1n4n h PRO 8 CO 0.92 0.61 0.30 0.25 -0.21 0.00 0.00 178.00 179.87 1n4n n THR 9 N -4.63 3.00 -4.13 -1.15 -2.24 -1.26 -4.83 114.28 99.04 1n4n n THR 9 Ca 0.11 -2.17 -0.21 0.00 -2.27 0.00 0.00 64.05 59.50 1n4n n THR 9 Cb 0.14 -1.53 -0.17 0.00 -2.10 0.00 0.00 70.33 66.67 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 -1.39 0.87 -0.44 4.78 -0.11 -0.97 -5.02 118.94 116.65 1n4n s TRP 10 Ca 0.46 -0.28 0.07 0.00 1.22 0.00 0.00 56.10 57.57 1n4n s TRP 10 Cb 0.30 -0.77 0.26 0.00 -1.50 0.00 0.00 33.47 31.76 1n4n s TRP 10 CO -0.10 -0.24 0.75 -3.47 -4.62 0.00 0.00 176.95 169.26 1n4n n ASP 11 N 4.25 -1.36 -3.66 5.86 2.03 -1.26 -4.95 116.55 117.46 1n4n n ASP 11 Ca -0.21 -3.07 -0.01 0.00 0.52 0.00 0.00 54.79 52.02 1n4n n ASP 11 Cb 0.51 0.67 -0.01 0.00 -0.72 0.00 0.00 41.12 41.57 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1n4n s SER 12 N -1.51 -0.10 -0.25 1.67 0.15 -1.26 -5.13 113.70 107.27 1n4n s SER 12 Ca 0.33 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.35 1n4n s SER 12 Cb 0.22 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 1n4n s SER 12 CO -0.17 -0.69 1.09 -0.69 1.20 0.00 0.00 173.24 173.99 1n4n s VAL 13 N -2.79 4.55 -0.56 4.45 1.01 -1.26 -4.69 120.40 121.10 1n4n s VAL 13 Ca 0.15 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.69 1n4n s VAL 13 Cb 0.01 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1n4n s VAL 13 CO 0.01 -0.29 1.34 0.00 0.00 0.00 0.00 175.10 176.16 1n4n n ILE 15 N 6.81 1.53 -4.36 0.00 5.41 -1.26 -4.82 119.36 122.66 1n4n n ILE 15 Ca 0.11 -0.42 -0.30 0.00 1.00 0.00 0.00 62.75 63.15 1n4n n ILE 15 Cb 0.49 -1.77 -0.11 0.00 -0.71 0.00 0.00 39.64 37.54 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 -7.19 4.18 0.28 4.38 2.47 -1.26 -5.02 114.94 112.78 1n4n s ASN 16 Ca -0.37 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 52.52 1n4n s ASN 16 Cb 0.12 -0.75 0.42 0.00 -1.45 0.00 0.00 41.25 39.59 1n4n s ASN 16 CO 0.54 0.21 1.77 0.11 -3.72 0.00 0.00 177.10 176.00 1n4n h LYS 17 N 3.94 0.62 -0.40 0.43 1.57 -1.93 -3.29 116.57 117.51 1n4n h LYS 17 Ca -0.49 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.18 1n4n h LYS 17 Cb 1.16 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.32 1n4n h LYS 17 CO 0.50 0.71 -0.43 -0.22 -0.57 0.00 0.00 179.45 179.44 1n4n h LYS 18 N 0.57 -0.32 -0.79 3.15 3.11 -1.96 0.41 116.57 120.74 1n4n h LYS 18 Ca 0.10 0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.04 1n4n h LYS 18 Cb 0.51 0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.75 1n4n h LYS 18 CO 0.03 -0.21 0.46 -1.35 -2.81 0.00 0.00 179.45 175.56 1n4n h PRO 19 N -0.33 0.78 -0.03 1.90 0.11 -2.00 -1.33 132.00 131.10 1n4n h PRO 19 Ca 0.13 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1n4n h PRO 19 Cb 0.58 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1n4n h PRO 19 CO -0.57 0.52 0.01 0.00 -0.21 0.00 0.00 178.00 177.75 1n4n h VAL 21 N -0.12 0.94 -0.61 0.00 2.07 0.18 0.35 116.25 119.05 1n4n h VAL 21 Ca 0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1n4n h VAL 21 Cb 0.16 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1n4n h VAL 21 CO -0.00 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.09 1n4n h ALA 22 N 1.42 0.78 -0.17 1.67 0.00 -1.08 0.22 119.26 122.11 1n4n h ALA 22 Ca 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1n4n h ALA 22 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n4n h ALA 22 CO -0.22 0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.32 1n4n h LYS 25 N 0.32 0.40 -0.20 0.00 1.57 -0.54 0.12 116.57 118.25 1n4n h LYS 25 Ca 0.09 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1n4n h LYS 25 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1n4n h LYS 25 CO -0.03 0.54 -0.23 1.57 -0.57 0.00 0.00 179.45 180.74 1n4n h LYS 26 N 0.38 0.36 -0.50 3.15 2.10 -1.00 -1.40 116.57 119.66 1n4n h LYS 26 Ca 0.07 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1n4n h LYS 26 Cb 0.47 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1n4n h LYS 26 CO 0.03 0.57 0.00 0.00 -2.00 0.00 0.00 179.45 178.05 1n4n n ALA 27 N -2.48 2.67 -2.72 0.07 0.00 -0.69 -4.90 120.51 112.47 1n4n n ALA 27 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1n4n n ALA 27 Cb 0.37 -1.01 0.05 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 0.26 -2.18 -4.40 0.00 4.81 -0.53 -5.04 118.16 111.10 1n4n n LYS 28 Ca 0.09 0.57 -0.21 0.00 -0.87 0.00 0.00 58.31 57.89 1n4n n LYS 28 Cb 0.37 -4.44 -0.13 0.00 0.02 0.00 0.00 35.03 30.85 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 -3.25 1.37 0.09 5.64 0.40 0.34 -4.95 117.98 117.62 1n4n s PHE 29 Ca 0.23 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 56.01 1n4n s PHE 29 Cb -0.03 -0.81 -0.08 0.00 0.51 0.00 0.00 43.02 42.61 1n4n s PHE 29 CO 0.48 0.06 1.50 0.77 0.70 0.00 0.00 175.22 178.73 1n4n h SER 30 N 4.83 0.49 -5.05 1.36 0.02 -1.73 -3.28 113.55 110.19 1n4n h SER 30 Ca -0.40 -0.34 -0.06 0.00 -0.84 0.00 0.00 61.79 60.15 1n4n h SER 30 Cb 1.18 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.44 1n4n h SER 30 CO 0.43 0.71 -0.04 -0.62 -1.14 0.00 0.00 176.83 176.17 1n4n s ASP 31 N -6.04 -0.31 0.26 3.07 2.15 -0.92 -4.90 116.67 109.98 1n4n s ASP 31 Ca -0.13 -0.09 0.09 0.00 0.43 0.00 0.00 52.55 52.85 1n4n s ASP 31 Cb 0.08 0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 43.11 1n4n s ASP 31 CO 0.76 -0.77 -0.14 -0.83 -0.17 0.00 0.00 175.17 174.03 1n4n s GLY 32 N -2.36 1.76 -0.23 2.66 0.00 -1.26 -0.57 107.32 107.33 1n4n s GLY 32 Ca -0.02 -1.84 -0.16 0.00 0.00 0.00 0.00 44.72 42.70 1n4n s GLY 32 CO -0.07 -1.88 0.57 -2.38 0.00 0.00 0.00 173.10 169.35 1n4n s HIS 33 N -2.79 -0.78 0.22 1.90 -3.43 0.96 -4.64 115.29 106.74 1n4n s HIS 33 Ca 0.28 1.69 -0.30 0.00 -0.80 0.00 0.00 55.06 55.93 1n4n s HIS 33 Cb -0.01 0.38 -0.09 0.00 -1.43 0.00 0.00 32.58 31.43 1n4n s HIS 33 CO 0.12 -0.39 1.27 0.00 -2.00 0.00 0.00 174.74 173.74 1n4n n SER 35 N 2.21 0.00 0.00 0.00 3.41 -0.29 -4.89 113.62 114.06 1n4n n SER 35 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1n4n n SER 35 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.04 0.00 4.33 4.81 -1.26 -4.58 118.16 121.49 1n4n n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n4n n LYS 36 Cb 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1n4n n LYS 36 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1n4n n ILE 37 N -2.33 0.00 1.32 3.15 5.41 -1.26 -4.06 119.36 121.60 1n4n n ILE 37 Ca 0.00 0.50 0.09 0.00 1.00 0.00 0.00 62.75 64.34 1n4n n ILE 37 Cb 0.42 -1.48 0.34 0.00 -0.71 0.00 0.00 39.64 38.21 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 -0.02 1.35 -2.86 1.39 7.94 -1.26 -4.88 117.00 118.66 1n4n n LEU 38 Ca 0.00 -0.60 -0.22 0.00 -1.11 0.00 0.00 56.01 54.08 1n4n n LEU 38 Cb 0.00 -0.11 0.02 0.00 0.53 0.00 0.00 43.42 43.86 1n4n n LEU 38 CO 0.00 0.30 -0.08 -1.14 -1.11 0.00 0.00 177.39 175.36 1n4n n ARG 39 N 0.14 -3.94 -1.95 1.96 3.00 -1.26 -4.75 116.66 109.86 1n4n n ARG 39 Ca 0.14 0.91 -0.34 0.00 -0.00 0.00 0.00 57.85 58.56 1n4n n ARG 39 Cb 0.26 -5.71 0.03 0.00 0.00 0.00 0.00 32.46 27.04 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 -5.53 2.96 -0.85 -0.14 0.52 -1.26 -0.85 118.95 113.80 1n4n s ARG 40 Ca 0.22 1.58 -0.24 0.00 -0.52 0.00 0.00 55.73 56.78 1n4n s ARG 40 Cb -0.10 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.47 1n4n s ARG 40 CO 0.28 -1.16 1.28 0.00 0.02 0.00 0.00 175.30 175.71 1n4n s LEU 42 N 4.88 4.22 -0.05 0.00 1.02 -0.07 -0.85 118.68 127.83 1n4n s LEU 42 Ca 0.37 1.42 -0.03 0.00 0.02 0.00 0.00 54.13 55.91 1n4n s LEU 42 Cb -0.06 -3.47 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 1n4n s LEU 42 CO 0.03 -0.45 0.11 0.00 0.02 0.00 0.00 176.35 176.05 1n4n s THR 44 N -1.14 1.00 0.17 0.00 -4.23 0.27 -1.12 115.64 110.60 1n4n s THR 44 Ca 0.20 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.81 1n4n s THR 44 Cb -0.12 -0.86 0.06 0.00 1.34 0.00 0.00 72.50 72.92 1n4n s THR 44 CO 0.11 0.18 0.66 -1.59 -0.54 0.00 0.00 174.62 173.44 1n4n s LYS 45 N -0.56 1.34 0.37 3.99 -2.85 -0.39 -2.15 119.74 119.49 1n4n s LYS 45 Ca 0.03 -0.57 -0.25 0.00 -1.00 0.00 0.00 55.97 54.19 1n4n s LYS 45 Cb -0.06 0.57 -0.10 0.00 -2.06 0.00 0.00 37.83 36.19 1n4n s LYS 45 CO 0.00 -0.60 1.00 -1.83 0.10 0.00 0.00 175.35 174.02 1n4n s GLU 46 N -3.72 4.34 0.00 1.78 1.03 -1.26 0.46 118.70 121.33 1n4n s GLU 46 Ca 0.04 1.40 0.00 0.00 0.03 0.00 0.00 54.97 56.43 1n4n s GLU 46 Cb -0.02 -2.61 0.00 0.00 -0.80 0.00 0.00 34.13 30.70 1n4n s GLU 46 CO -0.08 0.04 0.00 0.00 -1.33 0.00 0.00 175.26 173.89