#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 -0.33 -0.09 0.00 2.01 -1.26 -3.90 115.64 112.06 1n4n s THR 2 Ca 0.00 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1n4n s THR 2 Cb 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1n4n s THR 2 CO 0.00 0.05 -0.19 0.00 -0.69 0.00 0.00 174.62 173.80 1n4n s LYS 4 N 0.04 3.41 -0.27 0.00 2.36 -1.26 -0.94 119.74 123.08 1n4n s LYS 4 Ca -0.07 -0.66 -0.13 0.00 -2.55 0.00 0.00 55.97 52.56 1n4n s LYS 4 Cb -0.15 -2.72 0.09 0.00 -1.05 0.00 0.00 37.83 34.01 1n4n s LYS 4 CO 0.05 0.15 0.63 0.00 1.55 0.00 0.00 175.35 177.73 1n4n s ALA 5 N 0.53 -1.79 0.45 3.13 0.00 0.11 -4.96 121.76 119.22 1n4n s ALA 5 Ca -0.07 2.24 -0.25 0.00 0.00 0.00 0.00 51.96 53.87 1n4n s ALA 5 Cb -0.15 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.40 1n4n s ALA 5 CO 0.04 -0.58 1.35 -1.21 0.00 0.00 0.00 175.76 175.36 1n4n s GLU 6 N 2.10 3.73 0.07 0.00 8.01 -1.26 -1.10 118.70 130.24 1n4n s GLU 6 Ca -0.08 2.25 -0.36 0.00 0.01 0.00 0.00 54.97 56.79 1n4n s GLU 6 Cb -0.08 -2.63 -0.15 0.00 -4.31 0.00 0.00 34.13 26.96 1n4n s GLU 6 CO -0.18 -0.72 1.53 0.00 0.01 0.00 0.00 175.26 175.90 1n4n h PRO 8 N 5.85 0.62 -1.98 0.00 0.11 -1.92 -1.54 132.00 133.14 1n4n h PRO 8 Ca -0.46 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 1n4n h PRO 8 Cb 1.29 -0.14 -0.19 0.00 0.11 0.00 0.00 31.00 32.07 1n4n h PRO 8 CO 0.86 0.41 0.49 0.25 -0.21 0.00 0.00 178.00 179.80 1n4n n THR 9 N -4.86 3.35 -3.69 -1.15 -2.24 -1.26 -4.84 114.28 99.59 1n4n n THR 9 Ca 0.17 -3.16 -0.12 0.00 -2.27 0.00 0.00 64.05 58.67 1n4n n THR 9 Cb 0.42 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 67.02 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 -0.64 0.00 4.78 -0.11 -0.58 -5.02 118.94 115.30 1n4n s TRP 10 Ca 0.57 1.45 0.00 0.00 1.22 0.00 0.00 56.10 59.35 1n4n s TRP 10 Cb 0.39 0.27 0.00 0.00 -1.50 0.00 0.00 33.47 32.63 1n4n s TRP 10 CO -0.25 -0.32 0.00 -0.40 -4.62 0.00 0.00 176.95 171.36 1n4n n ASP 11 N 3.40 0.00 -4.26 5.86 5.68 -1.26 -4.76 116.55 121.20 1n4n n ASP 11 Ca -0.17 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.83 1n4n n ASP 11 Cb 0.56 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.74 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1n4n s SER 12 N -0.98 2.09 0.03 -1.12 0.01 -1.26 -4.86 113.70 107.60 1n4n s SER 12 Ca 0.00 0.79 -0.30 0.00 1.31 0.00 0.00 55.95 57.75 1n4n s SER 12 Cb 0.00 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1n4n s SER 12 CO 0.00 -3.42 1.05 -0.69 0.41 0.00 0.00 173.24 170.59 1n4n s VAL 13 N -3.15 4.58 0.06 3.43 1.01 -1.26 -4.32 120.40 120.75 1n4n s VAL 13 Ca 0.68 1.86 -0.25 0.00 0.00 0.00 0.00 61.98 64.28 1n4n s VAL 13 Cb -0.12 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1n4n s VAL 13 CO 0.56 0.15 0.76 0.00 0.00 0.00 0.00 175.10 176.57 1n4n n ILE 15 N 2.58 1.53 -4.35 0.00 -0.00 -1.26 -4.94 119.36 112.92 1n4n n ILE 15 Ca -0.03 -0.33 -0.26 0.00 -0.00 0.00 0.00 62.75 62.12 1n4n n ILE 15 Cb 0.50 -1.93 -0.12 0.00 -0.00 0.00 0.00 39.64 38.09 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 -7.35 2.98 0.36 4.38 2.47 -1.26 -5.05 114.94 111.47 1n4n s ASN 16 Ca -0.38 -0.76 0.06 0.00 0.42 0.00 0.00 52.86 52.20 1n4n s ASN 16 Cb 0.14 -0.19 0.69 0.00 -1.45 0.00 0.00 41.25 40.44 1n4n s ASN 16 CO 0.49 0.10 1.92 0.50 -3.72 0.00 0.00 177.10 176.39 1n4n h LYS 17 N 3.78 0.47 -0.06 0.43 3.64 -1.95 -3.26 116.57 119.62 1n4n h LYS 17 Ca -0.48 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1n4n h LYS 17 Cb 1.18 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1n4n h LYS 17 CO 0.42 0.48 -0.44 0.87 -2.27 0.00 0.00 179.45 178.50 1n4n h LYS 18 N 0.46 -0.54 -0.88 1.90 1.79 -1.96 0.27 116.57 117.61 1n4n h LYS 18 Ca 0.10 0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.78 1n4n h LYS 18 Cb 0.26 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.93 1n4n h LYS 18 CO 0.00 -0.36 0.45 -1.35 -1.08 0.00 0.00 179.45 177.11 1n4n h PRO 19 N -0.56 0.57 0.20 3.15 0.11 -2.00 -0.39 132.00 133.08 1n4n h PRO 19 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1n4n h PRO 19 Cb 0.66 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1n4n h PRO 19 CO -0.36 0.38 -0.09 0.00 -0.21 0.00 0.00 178.00 177.71 1n4n h VAL 21 N -0.40 1.01 -0.50 0.00 2.07 -0.18 0.11 116.25 118.35 1n4n h VAL 21 Ca -0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1n4n h VAL 21 Cb 0.31 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1n4n h VAL 21 CO 0.04 0.18 0.32 0.00 0.02 0.00 0.00 177.57 178.13 1n4n h ALA 22 N 1.44 0.64 -0.41 1.67 0.00 -0.93 0.46 119.26 122.13 1n4n h ALA 22 Ca 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1n4n h ALA 22 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1n4n h ALA 22 CO -0.20 0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.31 1n4n h LYS 25 N 1.01 0.67 -0.09 0.00 1.79 0.12 0.19 116.57 120.26 1n4n h LYS 25 Ca 0.19 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1n4n h LYS 25 Cb 0.48 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1n4n h LYS 25 CO 0.02 0.70 -0.28 1.57 -1.08 0.00 0.00 179.45 180.38 1n4n h LYS 26 N 0.52 0.15 -0.09 3.15 2.10 -1.28 -1.47 116.57 119.66 1n4n h LYS 26 Ca 0.13 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1n4n h LYS 26 Cb 0.35 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1n4n h LYS 26 CO 0.01 0.42 0.00 0.00 -2.00 0.00 0.00 179.45 177.88 1n4n n ALA 27 N -2.48 2.56 -2.54 0.07 0.00 -0.76 -4.93 120.51 112.42 1n4n n ALA 27 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1n4n n ALA 27 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.20 -0.95 -4.17 0.00 0.00 -0.55 -5.04 118.16 107.26 1n4n n LYS 28 Ca 0.14 1.21 -0.16 0.00 0.00 0.00 0.00 58.31 59.50 1n4n n LYS 28 Cb 0.19 -4.37 -0.13 0.00 0.00 0.00 0.00 35.03 30.73 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 -2.92 0.77 0.15 5.64 0.40 0.58 -4.94 117.98 117.65 1n4n s PHE 29 Ca 0.01 -0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 1n4n s PHE 29 Cb -0.00 -0.47 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1n4n s PHE 29 CO 0.51 -0.03 1.80 0.77 0.70 0.00 0.00 175.22 178.97 1n4n h SER 30 N 5.03 0.39 -4.91 1.36 0.02 -1.36 -3.38 113.55 110.69 1n4n h SER 30 Ca -0.34 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.54 1n4n h SER 30 Cb 1.19 -0.09 -0.19 0.00 0.14 0.00 0.00 62.40 63.45 1n4n h SER 30 CO 0.44 0.28 0.17 -0.62 -1.14 0.00 0.00 176.83 175.96 1n4n s ASP 31 N -5.50 -0.66 -0.12 3.07 2.15 -0.63 -4.99 116.67 109.98 1n4n s ASP 31 Ca -0.13 0.77 -0.03 0.00 0.43 0.00 0.00 52.55 53.59 1n4n s ASP 31 Cb 0.11 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.31 1n4n s ASP 31 CO 0.72 -0.57 -0.03 -0.83 -0.17 0.00 0.00 175.17 174.29 1n4n s GLY 32 N -1.05 1.76 -0.06 2.66 0.00 -1.26 -0.89 107.32 108.48 1n4n s GLY 32 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1n4n s GLY 32 CO 0.09 -0.29 -0.03 -2.38 0.00 0.00 0.00 173.10 170.49 1n4n s HIS 33 N -0.15 0.77 0.24 1.90 -3.43 0.16 -4.34 115.29 110.45 1n4n s HIS 33 Ca 0.03 -0.23 -0.30 0.00 -0.80 0.00 0.00 55.06 53.77 1n4n s HIS 33 Cb -0.13 -0.75 -0.09 0.00 -1.43 0.00 0.00 32.58 30.18 1n4n s HIS 33 CO 0.02 -0.26 1.12 0.00 -2.00 0.00 0.00 174.74 173.62 1n4n n SER 35 N 1.67 0.00 0.00 0.00 3.41 -0.08 -4.87 113.62 113.76 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 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.01 4.33 4.81 -1.26 -4.41 118.16 121.64 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 -0.54 -0.00 0.00 0.02 0.00 0.00 35.03 34.51 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 5.03 -1.98 -3.32 117.51 120.39 1n4n h ILE 37 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1n4n h ILE 37 Cb 0.73 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1n4n h ILE 37 CO 0.00 0.00 -0.12 0.25 -0.68 0.00 0.00 178.15 177.60 1n4n h LEU 38 N -0.03 0.00 1.52 1.44 5.85 -2.01 -3.47 115.31 118.61 1n4n h LEU 38 Ca -0.00 -0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.34 1n4n h LEU 38 Cb 0.02 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1n4n h LEU 38 CO 0.00 0.00 -0.39 -1.14 -0.34 0.00 0.00 178.44 176.57 1n4n n ARG 39 N -3.00 -1.36 -2.09 1.25 3.00 -1.25 -4.61 116.66 108.60 1n4n n ARG 39 Ca 0.04 1.06 -0.29 0.00 -0.00 0.00 0.00 57.85 58.65 1n4n n ARG 39 Cb 0.53 -5.44 0.02 0.00 0.00 0.00 0.00 32.46 27.57 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 -4.06 3.29 -0.51 -0.14 1.70 -1.26 0.21 118.95 118.18 1n4n s ARG 40 Ca 0.00 0.46 -0.28 0.00 -0.47 0.00 0.00 55.73 55.44 1n4n s ARG 40 Cb 0.00 -2.15 0.02 0.00 -0.57 0.00 0.00 34.95 32.25 1n4n s ARG 40 CO 0.00 -0.64 1.37 0.00 -1.08 0.00 0.00 175.30 174.94 1n4n s LEU 42 N 5.63 4.14 -0.13 0.00 1.02 0.29 -1.81 118.68 127.81 1n4n s LEU 42 Ca 0.54 0.65 -0.06 0.00 0.02 0.00 0.00 54.13 55.27 1n4n s LEU 42 Cb -0.11 -2.69 -0.04 0.00 0.02 0.00 0.00 46.19 43.38 1n4n s LEU 42 CO 0.28 -0.18 0.09 0.00 0.02 0.00 0.00 176.35 176.56 1n4n s THR 44 N -0.52 1.83 0.34 0.00 -4.23 -0.07 0.04 115.64 113.04 1n4n s THR 44 Ca 0.11 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1n4n s THR 44 Cb -0.12 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.22 1n4n s THR 44 CO 0.02 0.46 0.59 2.29 -0.54 0.00 0.00 174.62 177.44 1n4n n LYS 45 N 2.36 0.84 -2.79 3.99 2.85 -0.12 -0.98 118.16 124.31 1n4n n LYS 45 Ca -0.16 -2.28 -0.34 0.00 -1.05 0.00 0.00 58.31 54.48 1n4n n LYS 45 Cb 0.52 2.49 -0.07 0.00 -0.65 0.00 0.00 35.03 37.33 1n4n n LYS 45 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1n4n s GLU 46 N -2.39 4.27 0.00 -1.58 1.03 -1.26 -0.49 118.70 118.27 1n4n s GLU 46 Ca 0.20 1.19 0.00 0.00 0.03 0.00 0.00 54.97 56.39 1n4n s GLU 46 Cb -0.03 -2.30 0.00 0.00 -0.80 0.00 0.00 34.13 31.00 1n4n s GLU 46 CO 0.15 -0.00 0.00 0.00 -1.33 0.00 0.00 175.26 174.08