#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yit s GLY 2 N 0.00 3.00 0.00 3.41 0.00 -1.26 -4.88 107.32 107.59 1yit s GLY 2 Ca 0.00 1.22 0.30 0.00 0.00 0.00 0.00 44.72 46.24 1yit s GLY 2 CO 0.00 1.85 2.05 0.00 0.00 0.00 0.00 173.10 177.00 1yit n ALA 3 N 0.76 2.48 -1.18 3.20 0.00 -1.26 -3.21 120.51 121.30 1yit n ALA 3 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1yit n ALA 3 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1yit n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yit n GLY 4 N 1.23 0.81 0.29 0.00 0.00 -1.26 -4.49 105.19 101.76 1yit n GLY 4 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1yit n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yit h THR 5 N 0.00 0.25 0.00 2.61 2.02 -2.01 -0.84 112.91 114.93 1yit h THR 5 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1yit h THR 5 Cb 0.00 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1yit h THR 5 CO 0.00 0.00 -0.04 1.55 0.37 0.00 0.00 175.52 177.41 1yit h PRO 6 N 0.03 0.00 -0.01 6.66 0.13 -1.90 -0.89 132.00 136.02 1yit h PRO 6 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1yit h PRO 6 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1yit h PRO 6 CO -0.77 0.04 -0.06 0.43 -0.23 0.00 0.00 178.00 177.42 1yit n SER 7 N -4.12 1.02 0.09 1.44 7.64 -0.34 -3.60 113.62 115.74 1yit n SER 7 Ca -0.03 -1.18 -0.04 0.00 1.01 0.00 0.00 58.87 58.64 1yit n SER 7 Cb 0.12 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1yit n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1yit h GLN 8 N 1.50 0.00 -0.12 1.43 1.08 -1.00 -3.35 115.11 114.65 1yit h GLN 8 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1yit h GLN 8 Cb 0.40 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1yit h GLN 8 CO 0.00 0.84 0.12 0.78 -0.95 0.00 0.00 178.83 179.62 1yit h GLY 9 N 3.11 0.00 0.77 3.46 0.00 -1.63 -2.45 103.07 106.33 1yit h GLY 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1yit h GLY 9 CO 0.11 0.00 -0.10 0.28 0.00 0.00 0.00 176.54 176.82 1yit n LYS 10 N -3.98 0.79 -2.36 4.80 5.02 -1.26 -4.69 118.16 116.48 1yit n LYS 10 Ca 0.00 -0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 55.62 1yit n LYS 10 Cb 0.23 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1yit n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yit n LYS 11 N -0.86 2.62 -0.57 1.97 5.02 -0.92 -4.48 118.16 120.95 1yit n LYS 11 Ca 0.15 -2.97 0.05 0.00 -2.02 0.00 0.00 58.31 53.52 1yit n LYS 11 Cb 0.28 -3.56 0.08 0.00 -0.02 0.00 0.00 35.03 31.80 1yit n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1yit n ASN 12 N 10.35 1.17 -4.90 4.39 6.94 -1.26 -5.06 115.26 126.89 1yit n ASN 12 Ca 0.48 -2.63 -0.32 0.00 -0.02 0.00 0.00 54.58 52.08 1yit n ASN 12 Cb 0.46 -0.34 -0.05 0.00 -2.36 0.00 0.00 39.78 37.49 1yit n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1yit s THR 13 N -1.39 5.20 -0.17 5.53 2.01 -1.26 -5.08 115.64 120.47 1yit s THR 13 Ca 0.22 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 1yit s THR 13 Cb 0.21 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1yit s THR 13 CO -0.03 0.08 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.06 1yit s THR 14 N -1.60 3.90 0.00 -0.82 2.01 -1.26 -4.99 115.64 112.88 1yit s THR 14 Ca 0.39 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1yit s THR 14 Cb -0.12 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1yit s THR 14 CO 0.24 0.48 0.00 0.35 -0.69 0.00 0.00 174.62 175.00 1yit n THR 15 N 3.73 0.00 -2.27 -0.82 -2.24 -1.26 -4.75 114.28 106.67 1yit n THR 15 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1yit n THR 15 Cb 0.52 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1yit n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1yit s HIS 16 N 0.00 2.99 0.23 4.78 3.76 -1.26 -0.44 115.29 125.35 1yit s HIS 16 Ca 0.00 0.93 0.02 0.00 -0.15 0.00 0.00 55.06 55.86 1yit s HIS 16 Cb 0.00 -3.61 -0.05 0.00 1.11 0.00 0.00 32.58 30.03 1yit s HIS 16 CO 0.00 -2.18 0.04 0.95 -0.85 0.00 0.00 174.74 172.70 1yit s THR 17 N 2.13 0.73 0.18 1.30 -4.23 0.19 -4.80 115.64 111.13 1yit s THR 17 Ca 0.62 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.80 1yit s THR 17 Cb -0.31 -2.42 -0.15 0.00 1.34 0.00 0.00 72.50 70.96 1yit s THR 17 CO 0.26 -0.22 1.21 1.17 -0.54 0.00 0.00 174.62 176.50 1yit n LYS 18 N -0.39 1.30 -3.31 3.99 3.00 -1.26 -0.03 118.16 121.46 1yit n LYS 18 Ca -0.03 0.46 -0.39 0.00 -0.00 0.00 0.00 58.31 58.35 1yit n LYS 18 Cb 0.65 -1.99 -0.08 0.00 0.00 0.00 0.00 35.03 33.61 1yit n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yit h ARG 20 N 7.69 0.06 0.00 0.00 2.43 -1.90 -0.17 114.38 122.49 1yit h ARG 20 Ca -0.33 -0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.58 1yit h ARG 20 Cb 1.15 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1yit h ARG 20 CO 0.71 0.04 -1.44 -2.13 -1.51 0.00 0.00 179.97 175.64 1yit n ARG 21 N -4.28 0.56 0.00 0.20 0.63 -1.26 -4.68 116.66 107.84 1yit n ARG 21 Ca 0.22 0.52 0.08 0.00 -0.92 0.00 0.00 57.85 57.75 1yit n ARG 21 Cb 1.05 -1.70 -0.07 0.00 0.45 0.00 0.00 32.46 32.18 1yit n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yit n GLY 23 N 1.35 2.26 3.82 0.00 0.00 -0.08 -4.97 105.19 107.57 1yit n GLY 23 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1yit n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yit s GLU 24 N -0.06 4.21 -1.52 1.61 0.41 -1.26 -4.42 118.70 117.67 1yit s GLU 24 Ca 0.00 1.04 -0.10 0.00 -0.41 0.00 0.00 54.97 55.50 1yit s GLU 24 Cb 0.00 -2.29 -0.01 0.00 -1.78 0.00 0.00 34.13 30.05 1yit s GLU 24 CO 0.00 0.04 2.63 1.17 -0.49 0.00 0.00 175.26 178.61 1yit n LYS 25 N -0.46 3.61 -0.16 1.61 4.81 -1.26 -0.02 118.16 126.27 1yit n LYS 25 Ca 0.06 -2.57 0.03 0.00 -0.87 0.00 0.00 58.31 54.96 1yit n LYS 25 Cb 0.53 -2.91 0.04 0.00 0.02 0.00 0.00 35.03 32.72 1yit n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1yit n SER 26 N 3.99 1.17 -4.51 3.14 7.64 -0.96 -4.29 113.62 119.80 1yit n SER 26 Ca 0.67 -2.16 -0.43 0.00 1.01 0.00 0.00 58.87 57.96 1yit n SER 26 Cb 0.28 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 1yit n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1yit s TYR 27 N -1.13 2.87 -0.58 1.43 5.04 0.96 -0.70 117.35 125.23 1yit s TYR 27 Ca 0.10 -0.07 -0.27 0.00 -2.44 0.00 0.00 57.07 54.39 1yit s TYR 27 Cb 0.09 -3.92 -0.01 0.00 0.35 0.00 0.00 41.96 38.47 1yit s TYR 27 CO 0.01 -1.24 1.70 -1.58 -1.34 0.00 0.00 175.55 173.10 1yit s HIS 28 N 3.62 1.88 -1.02 4.97 5.65 -0.68 0.53 115.29 130.23 1yit s HIS 28 Ca 0.28 0.61 0.05 0.00 0.25 0.00 0.00 55.06 56.25 1yit s HIS 28 Cb -0.14 -4.22 0.22 0.00 -1.18 0.00 0.00 32.58 27.27 1yit s HIS 28 CO 0.19 -2.29 1.15 -2.37 -0.65 0.00 0.00 174.74 170.77 1yit n THR 29 N 7.07 1.62 -0.09 0.89 5.66 0.41 0.21 114.28 130.06 1yit n THR 29 Ca 0.17 0.40 -0.10 0.00 -3.05 0.00 0.00 64.05 61.48 1yit n THR 29 Cb 0.50 -1.32 -0.15 0.00 -1.55 0.00 0.00 70.33 67.81 1yit n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1yit n LYS 30 N -1.49 0.68 0.02 1.09 5.02 -1.26 -4.37 118.16 117.85 1yit n LYS 30 Ca 0.01 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1yit n LYS 30 Cb 0.06 -1.57 -0.11 0.00 -0.02 0.00 0.00 35.03 33.39 1yit n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yit n LYS 31 N -2.83 0.56 -3.65 1.97 5.02 -0.62 -4.99 118.16 113.62 1yit n LYS 31 Ca -0.30 -0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 55.66 1yit n LYS 31 Cb 1.13 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 34.61 1yit n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yit n LYS 32 N -2.27 -6.51 -3.75 1.97 4.76 0.56 -4.99 118.16 107.93 1yit n LYS 32 Ca -0.02 0.74 -0.13 0.00 -2.87 0.00 0.00 58.31 56.03 1yit n LYS 32 Cb 0.53 -5.66 -0.14 0.00 -1.84 0.00 0.00 35.03 27.93 1yit n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1yit s VAL 33 N -3.39 -0.04 -0.19 -0.18 1.01 -1.20 -4.52 120.40 111.89 1yit s VAL 33 Ca 0.35 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 1yit s VAL 33 Cb -0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1yit s VAL 33 CO 0.77 0.06 0.80 0.00 0.00 0.00 0.00 175.10 176.73 1yit h SER 35 N 7.45 0.00 0.00 0.00 4.64 -1.26 -0.79 113.55 123.58 1yit h SER 35 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1yit h SER 35 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1yit h SER 35 CO 0.84 0.00 -0.56 -0.24 -0.87 0.00 0.00 176.83 175.99 1yit n SER 36 N -2.69 1.81 -0.49 4.97 2.88 -1.26 -4.65 113.62 114.19 1yit n SER 36 Ca 0.02 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.29 1yit n SER 36 Cb 0.31 -0.87 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 1yit n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yit n GLY 38 N 1.42 0.61 3.66 0.00 0.00 -0.30 -0.93 105.19 109.64 1yit n GLY 38 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1yit n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yit n PHE 39 N -2.65 2.03 0.00 1.61 7.35 -1.26 -0.58 117.46 123.96 1yit n PHE 39 Ca 0.00 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1yit n PHE 39 Cb 0.02 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.43 1yit n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yit n GLY 40 N 1.96 2.35 0.10 7.13 0.00 -1.26 -0.88 105.19 114.59 1yit n GLY 40 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1yit n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yit n LYS 41 N -2.00 0.06 -4.41 1.61 4.81 0.26 -4.84 118.16 113.65 1yit n LYS 41 Ca 0.00 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.26 1yit n LYS 41 Cb 0.00 -1.00 -0.15 0.00 0.02 0.00 0.00 35.03 33.90 1yit n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1yit s SER 42 N -4.33 1.19 0.14 3.14 0.15 0.24 -5.01 113.70 109.22 1yit s SER 42 Ca -0.03 -0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.32 1yit s SER 42 Cb 0.01 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.14 1yit s SER 42 CO 0.05 0.11 1.39 0.00 1.20 0.00 0.00 173.24 176.00 1yit h ALA 43 N 5.80 0.47 -2.31 5.45 0.00 -1.96 -3.40 119.26 123.30 1yit h ALA 43 Ca -0.32 -0.56 -0.47 0.00 0.00 0.00 0.00 54.91 53.56 1yit h ALA 43 Cb 1.18 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.94 1yit h ALA 43 CO 0.49 0.69 0.38 0.15 0.00 0.00 0.00 179.25 180.97 1yit s LYS 44 N -3.91 3.78 0.19 0.00 1.02 -1.26 -5.00 119.74 114.56 1yit s LYS 44 Ca -0.09 1.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.93 1yit s LYS 44 Cb 0.10 -2.09 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1yit s LYS 44 CO 0.88 -0.45 1.17 1.03 -0.92 0.00 0.00 175.35 177.06 1yit s ARG 45 N -3.33 4.52 0.08 1.68 1.81 -1.26 -4.86 118.95 117.60 1yit s ARG 45 Ca 0.67 1.84 -0.31 0.00 -1.72 0.00 0.00 55.73 56.21 1yit s ARG 45 Cb -0.16 -3.24 -0.09 0.00 -0.45 0.00 0.00 34.95 31.01 1yit s ARG 45 CO 0.21 -0.03 1.70 0.50 -0.68 0.00 0.00 175.30 177.00 1yit s ARG 46 N -0.39 4.18 -0.28 3.54 3.52 -0.11 -4.97 118.95 124.44 1yit s ARG 46 Ca 0.51 2.40 -0.18 0.00 -0.13 0.00 0.00 55.73 58.32 1yit s ARG 46 Cb -0.32 -3.60 0.08 0.00 -1.56 0.00 0.00 34.95 29.56 1yit s ARG 46 CO 0.37 -0.76 0.73 0.34 -0.81 0.00 0.00 175.30 175.17 1yit s ASP 47 N 2.49 -0.85 0.12 -2.12 3.68 -1.26 -4.80 116.67 113.93 1yit s ASP 47 Ca 0.76 1.42 0.07 0.00 2.13 0.00 0.00 52.55 56.93 1yit s ASP 47 Cb -0.41 1.38 -0.04 0.00 -1.45 0.00 0.00 42.92 42.40 1yit s ASP 47 CO 0.33 -0.23 -0.16 -0.31 0.13 0.00 0.00 175.17 174.93 1yit s TYR 48 N 1.27 1.54 0.20 -5.34 1.51 -1.26 -5.04 117.35 110.24 1yit s TYR 48 Ca -0.07 -0.49 0.20 0.00 -1.01 0.00 0.00 57.07 55.70 1yit s TYR 48 Cb -0.05 -0.82 0.82 0.00 -0.11 0.00 0.00 41.96 41.80 1yit s TYR 48 CO -0.14 0.18 1.80 0.93 -1.11 0.00 0.00 175.55 177.21 1yit h GLU 49 N 3.70 0.00 0.00 -0.62 4.39 -2.01 -2.98 114.58 117.05 1yit h GLU 49 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1yit h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1yit h GLU 49 CO 0.47 0.31 0.00 -2.67 -1.16 0.00 0.00 179.01 175.96 1yit n TRP 50 N -3.55 0.00 1.79 4.33 4.27 -1.26 -2.79 117.44 120.23 1yit n TRP 50 Ca -0.00 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.76 1yit n TRP 50 Cb 0.46 0.00 0.87 0.00 -1.36 0.00 0.00 31.31 31.27 1yit n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1yit n GLN 51 N -0.80 0.83 -3.82 -2.67 6.02 -1.13 -4.79 117.38 111.02 1yit n GLN 51 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.00 1yit n GLN 51 Cb 0.05 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 1yit n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1yit s SER 52 N -2.13 -0.09 0.30 1.08 1.04 -1.12 -5.13 113.70 107.64 1yit s SER 52 Ca 0.42 -0.62 -0.29 0.00 0.48 0.00 0.00 55.95 55.93 1yit s SER 52 Cb 0.21 0.47 -0.11 0.00 0.10 0.00 0.00 66.02 66.69 1yit s SER 52 CO 0.38 -0.92 1.50 -0.54 0.98 0.00 0.00 173.24 174.64 1yit s LYS 53 N -3.89 4.18 0.35 4.02 -0.14 -1.26 -4.88 119.74 118.12 1yit s LYS 53 Ca 0.10 2.46 0.16 0.00 -1.36 0.00 0.00 55.97 57.33 1yit s LYS 53 Cb 0.02 -3.04 1.17 0.00 -1.68 0.00 0.00 37.83 34.30 1yit s LYS 53 CO -0.04 -0.51 1.55 0.00 -0.76 0.00 0.00 175.35 175.59 1yit n ALA 54 N 1.77 0.87 -1.45 5.17 0.00 -1.26 -0.58 120.51 125.02 1yit n ALA 54 Ca 0.06 1.02 -0.31 0.00 0.00 0.00 0.00 53.44 54.20 1yit n ALA 54 Cb 0.39 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.93 1yit n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yit n GLY 55 N -1.32 5.15 0.00 0.00 0.00 -1.26 -5.15 105.19 102.60 1yit n GLY 55 Ca 0.33 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1yit n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11