#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s GLY 2 N 0.00 2.72 0.19 3.41 0.00 -1.26 -4.95 107.32 107.43 3g6e s GLY 2 Ca 0.00 0.68 0.24 0.00 0.00 0.00 0.00 44.72 45.65 3g6e s GLY 2 CO 0.00 1.11 1.73 0.00 0.00 0.00 0.00 173.10 175.94 3g6e n ALA 3 N -0.08 1.96 -1.21 3.20 0.00 -1.26 -3.32 120.51 119.81 3g6e n ALA 3 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3g6e n ALA 3 Cb 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3g6e n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 4 N 0.64 0.79 0.29 0.00 0.00 -1.26 -4.51 105.19 101.14 3g6e n GLY 4 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3g6e n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g6e h THR 5 N 0.00 0.49 0.00 2.61 2.02 -2.01 -1.35 112.91 114.66 3g6e h THR 5 Ca 0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3g6e h THR 5 Cb 0.00 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3g6e h THR 5 CO 0.00 0.06 -0.04 1.55 0.37 0.00 0.00 175.52 177.46 3g6e h PRO 6 N 0.33 0.00 -0.00 6.66 0.13 -1.90 -2.75 132.00 134.47 3g6e h PRO 6 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 3g6e h PRO 6 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3g6e h PRO 6 CO -0.53 0.04 -0.26 0.43 -0.23 0.00 0.00 178.00 177.46 3g6e n SER 7 N -3.16 0.30 0.14 1.44 7.64 -0.52 -3.64 113.62 115.82 3g6e n SER 7 Ca 0.00 0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.02 3g6e n SER 7 Cb 0.33 -0.09 0.33 0.00 -1.01 0.00 0.00 64.21 63.77 3g6e n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3g6e h GLN 8 N 0.07 0.00 0.00 1.43 1.08 -1.36 -3.31 115.11 113.03 3g6e h GLN 8 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3g6e h GLN 8 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3g6e h GLN 8 CO 0.00 0.00 -0.19 0.78 -0.95 0.00 0.00 178.83 178.47 3g6e h GLY 9 N 4.33 0.00 0.86 3.46 0.00 -1.69 -2.95 103.07 107.09 3g6e h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g6e h GLY 9 CO 0.00 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.80 3g6e n LYS 10 N -3.51 0.94 -2.52 4.80 5.02 -1.25 -4.70 118.16 116.93 3g6e n LYS 10 Ca -0.01 -0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.67 3g6e n LYS 10 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3g6e n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g6e n LYS 11 N -0.87 3.18 -0.38 1.97 5.02 -1.11 -4.57 118.16 121.40 3g6e n LYS 11 Ca 0.20 -3.27 0.05 0.00 -2.02 0.00 0.00 58.31 53.27 3g6e n LYS 11 Cb 0.20 -3.43 0.08 0.00 -0.02 0.00 0.00 35.03 31.86 3g6e n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3g6e n ASN 12 N 7.84 1.22 -4.84 4.39 6.94 -1.26 -5.06 115.26 124.49 3g6e n ASN 12 Ca 0.48 -2.61 -0.37 0.00 -0.02 0.00 0.00 54.58 52.05 3g6e n ASN 12 Cb 0.45 -0.33 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 3g6e n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3g6e s THR 13 N -1.50 5.02 -0.26 5.53 2.01 -1.26 -5.07 115.64 120.12 3g6e s THR 13 Ca 0.19 0.80 -0.10 0.00 0.31 0.00 0.00 61.69 62.89 3g6e s THR 13 Cb 0.18 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3g6e s THR 13 CO -0.00 0.53 0.14 -0.89 -0.69 0.00 0.00 174.62 173.71 3g6e s THR 14 N -1.14 5.02 0.00 -0.82 2.01 -1.26 -4.95 115.64 114.50 3g6e s THR 14 Ca 0.26 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.32 3g6e s THR 14 Cb -0.16 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3g6e s THR 14 CO 0.14 0.31 0.00 0.35 -0.69 0.00 0.00 174.62 174.73 3g6e n THR 15 N 4.74 0.00 -2.30 -0.82 -2.24 -1.26 -4.79 114.28 107.60 3g6e n THR 15 Ca -0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 3g6e n THR 15 Cb 0.52 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 3g6e n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g6e s HIS 16 N -0.32 2.55 0.32 4.78 3.76 -1.26 -0.51 115.29 124.61 3g6e s HIS 16 Ca 0.00 0.77 0.04 0.00 -0.15 0.00 0.00 55.06 55.72 3g6e s HIS 16 Cb 0.00 -3.74 -0.06 0.00 1.11 0.00 0.00 32.58 29.89 3g6e s HIS 16 CO 0.00 -2.26 0.03 0.95 -0.85 0.00 0.00 174.74 172.62 3g6e s THR 17 N 4.06 1.32 0.12 1.30 -4.23 0.20 -4.78 115.64 113.63 3g6e s THR 17 Ca 0.61 -2.02 -0.32 0.00 -1.18 0.00 0.00 61.69 58.78 3g6e s THR 17 Cb -0.23 -2.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.76 3g6e s THR 17 CO 0.21 -0.06 1.78 1.17 -0.54 0.00 0.00 174.62 177.18 3g6e n LYS 18 N -0.68 2.64 -2.96 3.99 3.00 -1.26 -0.24 118.16 122.65 3g6e n LYS 18 Ca -0.03 0.96 -0.40 0.00 -0.00 0.00 0.00 58.31 58.84 3g6e n LYS 18 Cb 0.66 -2.82 -0.06 0.00 0.00 0.00 0.00 35.03 32.81 3g6e n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3g6e h ARG 20 N 4.82 0.83 0.05 0.00 2.43 -1.92 -2.10 114.38 118.49 3g6e h ARG 20 Ca -0.46 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.36 3g6e h ARG 20 Cb 1.21 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3g6e h ARG 20 CO 0.68 0.80 -0.77 -0.09 -1.51 0.00 0.00 179.97 179.07 3g6e h ARG 21 N 0.78 0.11 0.00 0.20 2.43 -1.98 -3.42 114.38 112.51 3g6e h ARG 21 Ca 0.16 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3g6e h ARG 21 Cb 0.40 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3g6e h ARG 21 CO 0.01 1.09 -1.30 0.00 -1.51 0.00 0.00 179.97 178.27 3g6e n GLY 23 N 1.69 0.80 3.88 0.00 0.00 -0.79 -4.99 105.19 105.78 3g6e n GLY 23 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3g6e n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 24 N -0.33 3.76 -1.19 1.61 0.41 -1.26 -4.58 118.70 117.11 3g6e s GLU 24 Ca 0.00 0.23 -0.08 0.00 -0.41 0.00 0.00 54.97 54.71 3g6e s GLU 24 Cb 0.00 -2.61 -0.09 0.00 -1.78 0.00 0.00 34.13 29.65 3g6e s GLU 24 CO 0.00 0.24 3.03 1.17 -0.49 0.00 0.00 175.26 179.21 3g6e n LYS 25 N -0.51 3.41 0.00 1.61 4.81 -1.26 -0.73 118.16 125.48 3g6e n LYS 25 Ca 0.00 -2.11 0.00 0.00 -0.87 0.00 0.00 58.31 55.33 3g6e n LYS 25 Cb 0.53 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3g6e n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3g6e n SER 26 N 2.99 0.98 -4.58 3.14 7.64 -0.89 -4.19 113.62 118.70 3g6e n SER 26 Ca 0.68 -1.35 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 3g6e n SER 26 Cb 0.39 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 3g6e n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3g6e s TYR 27 N -0.35 2.67 -0.51 1.43 5.04 0.67 -1.13 117.35 125.16 3g6e s TYR 27 Ca 0.00 0.48 -0.28 0.00 -2.44 0.00 0.00 57.07 54.83 3g6e s TYR 27 Cb 0.00 -4.48 0.00 0.00 0.35 0.00 0.00 41.96 37.83 3g6e s TYR 27 CO 0.00 -1.49 1.56 -1.58 -1.34 0.00 0.00 175.55 172.70 3g6e s HIS 28 N 4.78 2.10 -1.83 4.97 5.65 -0.56 0.60 115.29 130.99 3g6e s HIS 28 Ca 0.44 0.58 0.09 0.00 0.25 0.00 0.00 55.06 56.42 3g6e s HIS 28 Cb -0.07 -4.28 0.53 0.00 -1.18 0.00 0.00 32.58 27.57 3g6e s HIS 28 CO 0.27 -2.21 1.05 -2.37 -0.65 0.00 0.00 174.74 170.84 3g6e n THR 29 N 7.05 0.24 -0.06 0.89 5.66 0.34 0.75 114.28 129.14 3g6e n THR 29 Ca 0.16 0.06 -0.07 0.00 -3.05 0.00 0.00 64.05 61.15 3g6e n THR 29 Cb 0.49 -0.91 -0.08 0.00 -1.55 0.00 0.00 70.33 68.28 3g6e n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3g6e n LYS 30 N -1.08 1.51 0.07 1.09 5.02 -1.26 -4.58 118.16 118.93 3g6e n LYS 30 Ca 0.06 0.03 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 3g6e n LYS 30 Cb 0.04 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3g6e n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g6e n LYS 31 N -2.60 0.62 -2.47 1.97 5.02 -0.96 -4.97 118.16 114.76 3g6e n LYS 31 Ca -0.21 0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 55.98 3g6e n LYS 31 Cb 0.84 -1.78 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3g6e n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g6e n LYS 32 N -2.66 -2.07 -4.59 1.97 4.76 0.23 -5.00 118.16 110.80 3g6e n LYS 32 Ca -0.03 0.87 -0.23 0.00 -2.87 0.00 0.00 58.31 56.06 3g6e n LYS 32 Cb 0.61 -5.42 -0.16 0.00 -1.84 0.00 0.00 35.03 28.23 3g6e n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3g6e s VAL 33 N -2.96 1.07 -0.11 -0.18 1.01 -1.21 -4.34 120.40 113.67 3g6e s VAL 33 Ca 0.06 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 3g6e s VAL 33 Cb -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3g6e s VAL 33 CO 0.07 0.32 0.64 0.00 0.00 0.00 0.00 175.10 176.13 3g6e h SER 35 N 6.96 0.00 0.00 0.00 4.64 -1.48 -2.01 113.55 121.67 3g6e h SER 35 Ca -0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 3g6e h SER 35 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3g6e h SER 35 CO 0.76 0.00 -0.92 -0.24 -0.87 0.00 0.00 176.83 175.57 3g6e n SER 36 N -2.66 1.85 -0.14 4.97 2.88 -1.26 -4.71 113.62 114.55 3g6e n SER 36 Ca 0.03 0.52 0.10 0.00 -1.33 0.00 0.00 58.87 58.19 3g6e n SER 36 Cb 0.38 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 62.89 3g6e n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g6e n GLY 38 N 1.46 0.51 3.70 0.00 0.00 -0.75 -0.62 105.19 109.48 3g6e n GLY 38 Ca 0.05 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3g6e n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g6e n PHE 39 N -2.94 2.61 0.00 1.61 7.35 -1.26 -0.74 117.46 124.09 3g6e n PHE 39 Ca 0.00 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3g6e n PHE 39 Cb 0.00 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.14 3g6e n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3g6e n GLY 40 N 4.07 3.03 0.50 7.13 0.00 -1.26 -0.46 105.19 118.19 3g6e n GLY 40 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 3g6e n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g6e n LYS 41 N -1.95 0.34 -4.14 1.61 4.81 0.08 -4.85 118.16 114.07 3g6e n LYS 41 Ca 0.00 0.15 -0.15 0.00 -0.87 0.00 0.00 58.31 57.44 3g6e n LYS 41 Cb 0.00 -1.08 -0.11 0.00 0.02 0.00 0.00 35.03 33.86 3g6e n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3g6e s SER 42 N -6.43 1.34 0.19 3.14 1.04 -0.02 -5.02 113.70 107.94 3g6e s SER 42 Ca -0.22 -0.68 -0.00 0.00 0.48 0.00 0.00 55.95 55.53 3g6e s SER 42 Cb 0.08 0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.30 3g6e s SER 42 CO 0.28 -0.19 1.46 0.00 0.98 0.00 0.00 173.24 175.77 3g6e h ALA 43 N 4.06 0.64 -2.10 5.32 0.00 -1.97 -3.41 119.26 121.81 3g6e h ALA 43 Ca -0.38 -0.59 -0.45 0.00 0.00 0.00 0.00 54.91 53.49 3g6e h ALA 43 Cb 1.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3g6e h ALA 43 CO 0.45 0.76 0.32 0.15 0.00 0.00 0.00 179.25 180.93 3g6e s LYS 44 N -3.65 4.24 0.22 0.00 1.02 -1.26 -5.03 119.74 115.28 3g6e s LYS 44 Ca -0.05 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 3g6e s LYS 44 Cb 0.11 -2.24 -0.08 0.00 -0.52 0.00 0.00 37.83 35.09 3g6e s LYS 44 CO 0.83 0.00 1.15 1.03 -0.92 0.00 0.00 175.35 177.44 3g6e s ARG 45 N -3.09 4.56 -0.11 1.68 1.81 -1.26 -4.87 118.95 117.67 3g6e s ARG 45 Ca 0.61 1.83 -0.29 0.00 -1.72 0.00 0.00 55.73 56.15 3g6e s ARG 45 Cb -0.10 -3.23 -0.04 0.00 -0.45 0.00 0.00 34.95 31.13 3g6e s ARG 45 CO 0.14 0.04 1.57 0.50 -0.68 0.00 0.00 175.30 176.87 3g6e s ARG 46 N -0.69 4.12 -0.08 3.54 3.52 0.21 -4.98 118.95 124.60 3g6e s ARG 46 Ca 0.49 1.99 -0.13 0.00 -0.13 0.00 0.00 55.73 57.96 3g6e s ARG 46 Cb -0.32 -3.95 0.03 0.00 -1.56 0.00 0.00 34.95 29.15 3g6e s ARG 46 CO 0.38 -0.89 0.32 0.34 -0.81 0.00 0.00 175.30 174.64 3g6e s ASP 47 N 3.22 -0.29 0.01 -2.12 -1.08 -1.26 -4.74 116.67 110.42 3g6e s ASP 47 Ca 0.69 0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 53.17 3g6e s ASP 47 Cb -0.29 0.55 -0.01 0.00 -1.46 0.00 0.00 42.92 41.70 3g6e s ASP 47 CO 0.26 -0.24 0.00 -0.31 0.52 0.00 0.00 175.17 175.41 3g6e s TYR 48 N -0.37 0.20 -0.09 -5.34 1.51 -1.26 -5.04 117.35 106.96 3g6e s TYR 48 Ca -0.05 -0.41 0.31 0.00 -1.01 0.00 0.00 57.07 55.90 3g6e s TYR 48 Cb -0.03 -0.15 1.25 0.00 -0.11 0.00 0.00 41.96 42.92 3g6e s TYR 48 CO 0.02 -0.19 1.90 0.93 -1.11 0.00 0.00 175.55 177.10 3g6e h GLU 49 N 4.72 0.00 -0.00 -0.62 4.39 -2.01 -2.80 114.58 118.26 3g6e h GLU 49 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3g6e h GLU 49 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3g6e h GLU 49 CO 0.42 0.00 -0.02 -2.67 -1.16 0.00 0.00 179.01 175.58 3g6e n TRP 50 N -2.82 0.00 1.54 4.33 4.27 -1.26 -3.40 117.44 120.10 3g6e n TRP 50 Ca 0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.76 3g6e n TRP 50 Cb 0.28 -0.08 0.76 0.00 -1.36 0.00 0.00 31.31 30.92 3g6e n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3g6e n GLN 51 N -0.90 0.66 -4.01 -2.67 6.02 -1.06 -4.74 117.38 110.69 3g6e n GLN 51 Ca 0.20 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 57.12 3g6e n GLN 51 Cb 0.19 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 3g6e n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3g6e s SER 52 N -2.24 0.18 0.46 1.08 1.04 -1.22 -5.12 113.70 107.88 3g6e s SER 52 Ca 0.35 -0.93 -0.23 0.00 0.48 0.00 0.00 55.95 55.61 3g6e s SER 52 Cb 0.19 0.35 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 3g6e s SER 52 CO 0.36 -0.78 1.21 -0.54 0.98 0.00 0.00 173.24 174.47 3g6e s LYS 53 N -3.96 3.71 0.28 4.02 -0.14 -1.26 -4.93 119.74 117.45 3g6e s LYS 53 Ca 0.16 1.90 -0.02 0.00 -1.36 0.00 0.00 55.97 56.64 3g6e s LYS 53 Cb 0.05 -2.45 0.60 0.00 -1.68 0.00 0.00 37.83 34.35 3g6e s LYS 53 CO -0.03 -0.63 1.60 0.00 -0.76 0.00 0.00 175.35 175.54 3g6e h ALA 54 N 2.08 0.99 -0.72 5.17 0.00 -1.96 -0.88 119.26 123.95 3g6e h ALA 54 Ca -0.50 0.30 -0.42 0.00 0.00 0.00 0.00 54.91 54.29 3g6e h ALA 54 Cb 1.25 0.52 -0.22 0.00 0.00 0.00 0.00 17.79 19.34 3g6e h ALA 54 CO 0.60 -0.49 0.54 0.41 0.00 0.00 0.00 179.25 180.32 3g6e n GLY 55 N -1.47 4.30 0.00 0.00 0.00 -1.26 -5.14 105.19 101.62 3g6e n GLY 55 Ca 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3g6e n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11