#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dan n SER 2 N 0.00 -0.19 -4.48 1.61 7.64 -1.26 -4.93 113.62 112.01 2dan n SER 2 Ca 0.00 0.49 -0.43 0.00 1.01 0.00 0.00 58.87 59.93 2dan n SER 2 Cb 0.00 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 61.75 2dan n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dan s SER 3 N -2.12 6.26 -1.01 6.43 1.04 -1.26 -4.98 113.70 118.06 2dan s SER 3 Ca 0.67 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 2dan s SER 3 Cb -0.27 -2.31 0.29 0.00 0.10 0.00 0.00 66.02 63.83 2dan s SER 3 CO 0.57 -0.89 1.29 0.61 0.98 0.00 0.00 173.24 175.81 2dan n GLY 4 N 5.12 4.94 3.82 7.32 0.00 -1.26 -5.04 105.19 120.10 2dan n GLY 4 Ca -0.04 -2.67 -0.35 0.00 0.00 0.00 0.00 46.02 42.96 2dan n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dan s SER 5 N -1.38 6.99 0.03 1.61 0.15 -1.26 -5.06 113.70 114.78 2dan s SER 5 Ca 0.32 1.47 -0.28 0.00 0.70 0.00 0.00 55.95 58.16 2dan s SER 5 Cb 0.04 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 62.00 2dan s SER 5 CO 0.05 -0.11 1.03 -0.44 1.20 0.00 0.00 173.24 174.97 2dan s SER 6 N -1.92 -0.20 0.00 5.45 0.01 -1.26 -5.10 113.70 110.67 2dan s SER 6 Ca 0.50 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dan s SER 6 Cb -0.14 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2dan s SER 6 CO 0.19 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dan n GLY 7 N -0.36 1.21 3.88 3.44 0.00 -1.26 -4.98 105.19 107.12 2dan n GLY 7 Ca -0.06 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2dan n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dan n LEU 8 N 0.00 -0.64 -4.54 0.99 4.77 -1.26 -4.64 117.00 111.67 2dan n LEU 8 Ca 0.00 -0.96 -0.21 0.00 -0.03 0.00 0.00 56.01 54.81 2dan n LEU 8 Cb 0.00 -1.26 -0.09 0.00 -2.33 0.00 0.00 43.42 39.74 2dan n LEU 8 CO 0.00 0.08 1.58 1.21 -1.33 0.00 0.00 177.39 178.93 2dan n GLU 9 N -3.30 0.53 -3.11 3.23 0.00 -1.26 -4.87 120.64 111.87 2dan n GLU 9 Ca 0.09 -0.49 -0.43 0.00 0.00 0.00 0.00 57.16 56.33 2dan n GLU 9 Cb 0.36 -3.08 -0.06 0.00 0.00 0.00 0.00 31.44 28.65 2dan n GLU 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dan s ALA 10 N 11.60 3.34 -0.36 4.31 0.00 -1.26 -5.02 121.76 134.37 2dan s ALA 10 Ca 1.03 -1.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 2dan s ALA 10 Cb -0.32 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.45 2dan s ALA 10 CO 0.22 -1.99 0.16 0.54 0.00 0.00 0.00 175.76 174.69 2dan s VAL 11 N 2.85 4.19 0.06 0.00 0.11 -1.26 -5.09 120.40 121.26 2dan s VAL 11 Ca 0.19 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 2dan s VAL 11 Cb -0.17 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 2dan s VAL 11 CO 0.15 -0.23 0.03 0.00 -3.33 0.00 0.00 175.10 171.72 2dan s ALA 12 N 1.48 3.40 1.00 1.54 0.00 -1.26 -5.13 121.76 122.79 2dan s ALA 12 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2dan s ALA 12 Cb -0.20 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2dan s ALA 12 CO 0.05 0.71 0.00 -0.35 0.00 0.00 0.00 175.76 176.16 2dan n PRO 13 N 0.73 0.25 -3.90 0.00 -0.04 -1.26 -5.11 135.00 125.67 2dan n PRO 13 Ca -0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.26 2dan n PRO 13 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2dan n PRO 13 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dan s GLU 14 N -1.11 1.36 -0.07 0.54 -1.05 -1.26 -5.18 118.70 111.93 2dan s GLU 14 Ca 0.00 -1.10 -0.28 0.00 -0.15 0.00 0.00 54.97 53.44 2dan s GLU 14 Cb 0.00 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.21 2dan s GLU 14 CO 0.00 -0.55 0.63 -0.98 0.95 0.00 0.00 175.26 175.31 2dan s ARG 15 N -3.96 0.97 0.00 -4.83 1.70 -1.26 -5.17 118.95 106.41 2dan s ARG 15 Ca 0.16 0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 2dan s ARG 15 Cb 0.01 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 2dan s ARG 15 CO 0.02 -0.28 0.00 -0.35 -1.08 0.00 0.00 175.30 173.61 2dan n PRO 16 N 1.20 0.19 -3.82 3.89 -0.04 -1.26 -4.87 135.00 130.29 2dan n PRO 16 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 2dan n PRO 16 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 2dan n PRO 16 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dan s ARG 17 N -1.20 0.42 1.10 0.54 6.06 -1.26 -2.84 118.95 121.77 2dan s ARG 17 Ca 0.00 -0.06 -0.12 0.00 -2.50 0.00 0.00 55.73 53.05 2dan s ARG 17 Cb 0.00 0.19 0.25 0.00 0.06 0.00 0.00 34.95 35.45 2dan s ARG 17 CO 0.00 -0.09 1.05 0.00 -2.50 0.00 0.00 175.30 173.76 2dan n ALA 19 N -4.72 2.41 0.00 0.00 0.00 -1.00 -3.57 120.51 113.63 2dan n ALA 19 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2dan n ALA 19 Cb 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2dan n ALA 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2dan n TYR 20 N 0.46 0.00 0.20 0.00 4.19 -1.26 -4.81 117.16 115.95 2dan n TYR 20 Ca 0.06 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.29 2dan n TYR 20 Cb 0.26 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.07 2dan n TYR 20 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2dan n SER 22 N -1.07 -5.37 -4.72 0.00 7.64 -1.23 -4.93 113.62 103.92 2dan n SER 22 Ca 0.01 -0.53 -0.25 0.00 1.01 0.00 0.00 58.87 59.11 2dan n SER 22 Cb 0.07 -4.85 -0.06 0.00 -1.01 0.00 0.00 64.21 58.36 2dan n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dan s ALA 23 N -3.31 3.36 -0.45 -0.43 0.00 -1.26 -4.54 121.76 115.12 2dan s ALA 23 Ca 0.45 -1.40 -0.41 0.00 0.00 0.00 0.00 51.96 50.59 2dan s ALA 23 Cb -0.20 -1.10 -0.17 0.00 0.00 0.00 0.00 23.12 21.66 2dan s ALA 23 CO 0.70 0.39 2.15 0.39 0.00 0.00 0.00 175.76 179.39 2dan n GLU 24 N -0.56 0.33 -3.02 0.00 1.02 -1.26 0.55 120.64 117.70 2dan n GLU 24 Ca -0.08 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 2dan n GLU 24 Cb 0.56 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 2dan n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dan s ALA 25 N 6.37 3.52 0.00 0.62 0.00 -1.13 -4.47 121.76 126.67 2dan s ALA 25 Ca 1.17 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2dan s ALA 25 Cb -1.30 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2dan s ALA 25 CO 0.61 -0.08 0.00 0.43 0.00 0.00 0.00 175.76 176.72 2dan n SER 26 N -1.69 2.46 -4.43 0.00 7.64 -1.26 -4.09 113.62 112.26 2dan n SER 26 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2dan n SER 26 Cb 0.55 0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 2dan n SER 26 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dan s LYS 27 N -1.57 2.15 0.44 1.43 -0.14 -1.25 -5.04 119.74 115.76 2dan s LYS 27 Ca 0.00 -0.92 0.05 0.00 -1.36 0.00 0.00 55.97 53.74 2dan s LYS 27 Cb 0.00 -2.19 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 2dan s LYS 27 CO 0.00 0.56 0.62 1.03 -0.76 0.00 0.00 175.35 176.80 2dan s ARG 28 N -1.13 2.83 -0.06 1.68 0.52 -1.26 -2.45 118.95 119.08 2dan s ARG 28 Ca 0.13 -0.98 -0.34 0.00 -0.52 0.00 0.00 55.73 54.02 2dan s ARG 28 Cb -0.10 -2.67 -0.12 0.00 0.52 0.00 0.00 34.95 32.58 2dan s ARG 28 CO 0.03 -0.33 1.88 0.00 0.02 0.00 0.00 175.30 176.90 2dan n SER 30 N 6.56 0.00 -0.12 0.00 7.64 -1.26 0.15 113.62 126.58 2dan n SER 30 Ca 0.22 -1.32 -0.21 0.00 1.01 0.00 0.00 58.87 58.57 2dan n SER 30 Cb 0.31 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 2dan n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dan n ARG 31 N -0.64 0.56 0.00 1.43 1.74 -1.26 -4.80 116.66 113.68 2dan n ARG 31 Ca 0.05 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2dan n ARG 31 Cb 0.02 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2dan n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dan n GLN 33 N -0.92 -2.01 0.00 0.00 3.00 0.40 -4.84 117.38 113.00 2dan n GLN 33 Ca 0.00 0.99 0.04 0.00 -0.01 0.00 0.00 57.00 58.02 2dan n GLN 33 Cb 0.00 -5.67 0.02 0.00 0.00 0.00 0.00 30.24 24.59 2dan n GLN 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dan n ASN 34 N -2.06 1.40 -4.47 1.08 3.02 -1.26 -4.79 115.26 108.18 2dan n ASN 34 Ca -0.23 -1.20 -0.23 0.00 -0.03 0.00 0.00 54.58 52.89 2dan n ASN 34 Cb 0.68 0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.96 2dan n ASN 34 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2dan s GLU 35 N -0.91 1.66 0.12 3.52 2.56 -1.26 -5.00 118.70 119.40 2dan s GLU 35 Ca 0.08 -1.90 0.09 0.00 0.00 0.00 0.00 54.97 53.24 2dan s GLU 35 Cb 0.07 -1.12 -0.04 0.00 2.00 0.00 0.00 34.13 35.04 2dan s GLU 35 CO 0.15 -0.07 -0.21 -1.58 -0.56 0.00 0.00 175.26 172.98 2dan s TRP 36 N -3.08 1.90 -0.25 5.30 0.52 -1.26 -1.84 118.94 120.23 2dan s TRP 36 Ca 0.33 -0.42 -0.10 0.00 0.02 0.00 0.00 56.10 55.93 2dan s TRP 36 Cb 0.07 -1.01 0.10 0.00 -1.15 0.00 0.00 33.47 31.47 2dan s TRP 36 CO 0.14 0.26 0.56 0.71 0.02 0.00 0.00 176.95 178.65 2dan s TYR 37 N -1.35 -1.02 0.30 -1.98 2.02 -1.03 -2.38 117.35 111.93 2dan s TYR 37 Ca 0.10 1.91 -0.01 0.00 -0.37 0.00 0.00 57.07 58.70 2dan s TYR 37 Cb -0.09 0.55 0.47 0.00 -0.40 0.00 0.00 41.96 42.48 2dan s TYR 37 CO 0.05 -0.53 1.95 0.00 -1.57 0.00 0.00 175.55 175.45 2dan h ARG 40 N 3.04 0.18 -0.70 0.00 9.65 -1.99 -2.91 114.38 121.64 2dan h ARG 40 Ca -0.35 -0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.65 2dan h ARG 40 Cb 1.16 -0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.57 2dan h ARG 40 CO 0.65 0.15 -0.27 1.49 2.80 0.00 0.00 179.97 184.78 2dan h GLU 41 N 0.15 -0.07 -0.11 0.20 4.81 -1.99 -0.32 114.58 117.26 2dan h GLU 41 Ca 0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2dan h GLU 41 Cb 0.01 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2dan h GLU 41 CO -0.01 -0.05 -0.19 0.00 -0.73 0.00 0.00 179.01 178.03 2dan n GLN 43 N -5.33 0.09 -0.10 0.00 7.27 -0.19 -0.71 117.38 118.41 2dan n GLN 43 Ca -0.03 0.55 -0.16 0.00 0.07 0.00 0.00 57.00 57.43 2dan n GLN 43 Cb 0.25 -1.97 -0.13 0.00 2.41 0.00 0.00 30.24 30.80 2dan n GLN 43 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2dan n VAL 44 N -1.98 1.50 -0.01 1.69 0.31 0.57 -3.68 118.33 116.73 2dan n VAL 44 Ca -0.01 -0.67 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 2dan n VAL 44 Cb 0.20 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 31.86 2dan n VAL 44 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2dan h LYS 45 N 0.01 0.03 0.00 5.55 1.57 0.12 -2.84 116.57 121.02 2dan h LYS 45 Ca -0.54 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2dan h LYS 45 Cb 2.01 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2dan h LYS 45 CO -0.03 0.38 0.00 1.58 -0.57 0.00 0.00 179.45 180.81 2dan n HIS 46 N -4.89 0.48 -0.40 -1.35 -0.00 -0.50 -3.85 115.22 104.70 2dan n HIS 46 Ca -0.08 0.17 -0.10 0.00 0.46 0.00 0.00 57.72 58.18 2dan n HIS 46 Cb 0.20 -0.78 -0.08 0.00 -0.12 0.00 0.00 29.99 29.20 2dan n HIS 46 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 2dan n TRP 47 N -1.92 -0.38 -0.36 1.57 -0.00 -1.07 0.10 117.44 115.37 2dan n TRP 47 Ca 0.04 1.20 0.31 0.00 -0.00 0.00 0.00 57.50 59.05 2dan n TRP 47 Cb 0.25 -0.60 0.54 0.00 -0.00 0.00 0.00 31.31 31.50 2dan n TRP 47 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2dan n GLU 48 N -5.22 -0.03 -0.03 5.87 2.13 -1.25 0.13 120.64 122.24 2dan n GLU 48 Ca 0.03 1.04 -0.21 0.00 0.66 0.00 0.00 57.16 58.68 2dan n GLU 48 Cb 0.26 -2.01 -0.13 0.00 0.27 0.00 0.00 31.44 29.82 2dan n GLU 48 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2dan n LYS 49 N -4.44 0.74 0.32 5.31 5.02 0.28 -4.35 118.16 121.03 2dan n LYS 49 Ca 0.32 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.72 2dan n LYS 49 Cb 1.23 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 34.51 2dan n LYS 49 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2dan h HIS 50 N 0.05 -0.79 -0.86 2.13 2.76 0.46 -3.16 115.15 115.75 2dan h HIS 50 Ca -0.46 -0.02 0.31 0.00 -2.20 0.00 0.00 60.37 58.01 2dan h HIS 50 Cb 2.00 0.26 -0.10 0.00 1.55 0.00 0.00 27.41 31.12 2dan h HIS 50 CO 0.07 -0.49 0.53 0.41 -1.30 0.00 0.00 177.93 177.15 2dan n GLY 51 N -0.39 -0.55 0.29 5.26 0.00 0.35 0.84 105.19 110.99 2dan n GLY 51 Ca -0.11 0.53 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 2dan n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dan h LYS 52 N 0.00 -0.16 -0.32 1.61 1.57 -1.72 -1.82 116.57 115.73 2dan h LYS 52 Ca 0.60 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.36 2dan h LYS 52 Cb 1.81 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.14 2dan h LYS 52 CO -0.39 -0.10 0.01 0.25 -0.57 0.00 0.00 179.45 178.65 2dan n THR 53 N -5.41 2.40 -1.71 -0.16 -2.24 0.25 -5.02 114.28 102.39 2dan n THR 53 Ca 0.03 -1.90 -0.30 0.00 -2.27 0.00 0.00 64.05 59.61 2dan n THR 53 Cb 0.32 -0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.35 2dan n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dan n SER 55 N -3.26 -5.62 -4.46 0.00 2.88 -1.26 -4.79 113.62 97.11 2dan n SER 55 Ca 0.07 0.21 -0.44 0.00 -1.33 0.00 0.00 58.87 57.38 2dan n SER 55 Cb 0.57 -4.76 -0.13 0.00 -0.75 0.00 0.00 64.21 59.14 2dan n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dan n GLY 56 N -0.78 -0.34 0.10 0.46 0.00 -1.25 -4.80 105.19 98.58 2dan n GLY 56 Ca -0.22 1.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 2dan n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dan h PRO 57 N 12.03 -0.11 -1.22 1.61 0.13 -1.93 -3.49 132.00 139.02 2dan h PRO 57 Ca -0.08 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.24 2dan h PRO 57 Cb 1.33 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 32.21 2dan h PRO 57 CO 1.30 0.33 0.81 -1.54 -0.23 0.00 0.00 178.00 178.67 2dan s SER 58 N -5.53 -0.15 -0.15 1.44 1.04 -1.26 -5.18 113.70 103.91 2dan s SER 58 Ca -0.15 0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 2dan s SER 58 Cb 0.02 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.34 2dan s SER 58 CO 0.61 -0.12 0.38 -0.55 0.98 0.00 0.00 173.24 174.54 2dan s SER 59 N -0.83 -0.41 0.00 7.02 0.15 -1.26 -5.27 113.70 113.09 2dan s SER 59 Ca 0.05 0.78 0.32 0.00 0.70 0.00 0.00 55.95 57.80 2dan s SER 59 Cb -0.02 0.75 1.88 0.00 -1.71 0.00 0.00 66.02 66.92 2dan s SER 59 CO -0.06 -0.15 2.21 0.61 1.20 0.00 0.00 173.24 177.05