#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 -0.81 -3.64 1.61 2.88 -1.26 -5.05 113.62 107.35 2dan n SER 2 Ca 0.00 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.65 2dan n SER 2 Cb 0.00 -1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 62.11 2dan n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dan s SER 3 N -2.42 -0.13 0.19 -3.46 0.01 -1.26 -5.19 113.70 101.44 2dan s SER 3 Ca 0.65 -0.82 -0.13 0.00 1.31 0.00 0.00 55.95 56.97 2dan s SER 3 Cb -0.23 0.73 0.01 0.00 0.21 0.00 0.00 66.02 66.74 2dan s SER 3 CO 0.62 -1.40 0.42 -0.83 0.41 0.00 0.00 173.24 172.46 2dan s GLY 4 N -2.98 0.27 -1.23 3.44 0.00 -1.26 -5.08 107.32 100.47 2dan s GLY 4 Ca 0.14 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 44.07 2dan s GLY 4 CO 0.09 -0.57 1.60 -0.45 0.00 0.00 0.00 173.10 173.77 2dan s SER 5 N -2.94 6.87 0.69 1.64 0.15 -1.26 -4.99 113.70 113.85 2dan s SER 5 Ca 0.15 -2.50 -0.17 0.00 0.70 0.00 0.00 55.95 54.13 2dan s SER 5 Cb 0.01 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2dan s SER 5 CO 0.01 -1.07 1.02 -0.24 1.20 0.00 0.00 173.24 174.15 2dan n SER 6 N 7.58 0.78 0.00 5.45 2.88 -1.26 -4.47 113.62 124.57 2dan n SER 6 Ca 0.43 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2dan n SER 6 Cb 0.46 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2dan n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dan n GLY 7 N 1.11 3.46 2.82 0.46 0.00 -1.26 -5.08 105.19 106.70 2dan n GLY 7 Ca 0.14 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.02 -4.58 0.99 4.32 -1.26 -4.81 117.00 111.64 2dan n LEU 8 Ca 0.00 0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.61 2dan n LEU 8 Cb 0.00 -0.69 -0.05 0.00 -1.62 0.00 0.00 43.42 41.06 2dan n LEU 8 CO 0.00 -0.68 0.55 -1.83 -1.22 0.00 0.00 177.39 174.21 2dan s GLU 9 N 6.98 3.68 -0.42 3.23 -1.05 -1.26 -4.99 118.70 124.87 2dan s GLU 9 Ca 1.09 0.21 -0.27 0.00 -0.15 0.00 0.00 54.97 55.85 2dan s GLU 9 Cb -0.96 -3.83 -0.05 0.00 -0.44 0.00 0.00 34.13 28.85 2dan s GLU 9 CO 0.41 -0.88 2.20 0.00 0.95 0.00 0.00 175.26 177.93 2dan s ALA 10 N 3.09 2.13 -0.22 -0.84 0.00 -1.26 -4.94 121.76 119.72 2dan s ALA 10 Ca 0.30 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 2dan s ALA 10 Cb -0.13 -4.23 0.02 0.00 0.00 0.00 0.00 23.12 18.77 2dan s ALA 10 CO 0.18 -3.75 -0.10 0.54 0.00 0.00 0.00 175.76 172.63 2dan s VAL 11 N 10.11 2.73 0.10 0.00 0.11 -1.26 -5.11 120.40 127.08 2dan s VAL 11 Ca 0.91 -0.88 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 2dan s VAL 11 Cb -0.21 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 2dan s VAL 11 CO 0.28 0.36 -0.04 0.00 -3.33 0.00 0.00 175.10 172.37 2dan s ALA 12 N 1.35 3.16 1.00 1.54 0.00 -1.26 -5.13 121.76 122.41 2dan s ALA 12 Ca 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2dan s ALA 12 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2dan s ALA 12 CO -0.07 0.67 0.00 -0.35 0.00 0.00 0.00 175.76 176.01 2dan n PRO 13 N 0.58 0.14 -4.08 0.00 -0.04 -1.26 -5.10 135.00 125.25 2dan n PRO 13 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.27 2dan n PRO 13 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.27 0.65 -0.06 0.54 -1.05 -1.26 -5.17 118.70 111.08 2dan s GLU 14 Ca 0.00 -1.22 -0.24 0.00 -0.15 0.00 0.00 54.97 53.36 2dan s GLU 14 Cb 0.00 0.22 0.05 0.00 -0.44 0.00 0.00 34.13 33.96 2dan s GLU 14 CO 0.00 -0.13 0.54 -0.98 0.95 0.00 0.00 175.26 175.64 2dan s ARG 15 N -3.92 0.88 0.00 -4.83 1.70 -1.26 -5.18 118.95 106.34 2dan s ARG 15 Ca 0.08 0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.53 2dan s ARG 15 Cb 0.08 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2dan s ARG 15 CO -0.09 -0.25 0.00 -0.35 -1.08 0.00 0.00 175.30 173.53 2dan n PRO 16 N 1.29 0.17 -3.83 3.89 -0.04 -1.26 -4.89 135.00 130.32 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 -0.11 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 -1.24 0.39 1.15 0.54 6.06 -1.26 -3.00 118.95 121.60 2dan s ARG 17 Ca 0.00 -0.11 -0.13 0.00 -2.50 0.00 0.00 55.73 53.00 2dan s ARG 17 Cb 0.00 0.17 0.28 0.00 0.06 0.00 0.00 34.95 35.46 2dan s ARG 17 CO 0.00 -0.08 1.04 0.00 -2.50 0.00 0.00 175.30 173.75 2dan n ALA 19 N -4.88 2.29 0.00 0.00 0.00 -0.93 -3.65 120.51 113.33 2dan n ALA 19 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2dan n ALA 19 Cb 0.54 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.31 0.00 0.18 0.00 4.19 -1.26 -4.83 117.16 115.76 2dan n TYR 20 Ca 0.07 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.30 2dan n TYR 20 Cb 0.29 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.10 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 -1.19 -5.53 -4.78 0.00 7.64 -1.24 -4.94 113.62 103.58 2dan n SER 22 Ca 0.01 -0.38 -0.24 0.00 1.01 0.00 0.00 58.87 59.27 2dan n SER 22 Cb 0.08 -4.22 -0.05 0.00 -1.01 0.00 0.00 64.21 59.01 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 -3.20 3.49 -0.46 -0.43 0.00 -1.26 -4.53 121.76 115.37 2dan s ALA 23 Ca 0.41 -1.36 -0.42 0.00 0.00 0.00 0.00 51.96 50.59 2dan s ALA 23 Cb -0.18 -1.23 -0.17 0.00 0.00 0.00 0.00 23.12 21.54 2dan s ALA 23 CO 0.50 0.38 2.15 0.39 0.00 0.00 0.00 175.76 179.18 2dan n GLU 24 N -0.70 0.28 -2.54 0.00 1.02 -1.26 0.66 120.64 118.10 2dan n GLU 24 Ca -0.08 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 2dan n GLU 24 Cb 0.56 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 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 6.32 3.18 -0.03 0.62 0.00 -1.16 -4.44 121.76 126.24 2dan s ALA 25 Ca 1.17 0.00 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2dan s ALA 25 Cb -1.33 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 2dan s ALA 25 CO 0.62 -0.19 -0.02 0.43 0.00 0.00 0.00 175.76 176.60 2dan n SER 26 N -1.57 3.92 -4.28 0.00 7.64 -1.22 -4.38 113.62 113.73 2dan n SER 26 Ca 0.05 -0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.68 2dan n SER 26 Cb 0.54 0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.83 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 -2.07 1.78 0.38 1.43 1.02 -1.25 -5.05 119.74 115.98 2dan s LYS 27 Ca -0.04 -2.04 0.08 0.00 0.02 0.00 0.00 55.97 54.00 2dan s LYS 27 Cb 0.01 -0.69 -0.07 0.00 -0.52 0.00 0.00 37.83 36.56 2dan s LYS 27 CO 0.10 -0.35 -0.03 1.03 -0.92 0.00 0.00 175.35 175.18 2dan s ARG 28 N -3.82 1.91 -0.26 1.68 0.52 -1.26 -2.37 118.95 115.36 2dan s ARG 28 Ca 0.30 -2.01 -0.31 0.00 -0.52 0.00 0.00 55.73 53.18 2dan s ARG 28 Cb 0.05 -1.69 -0.08 0.00 0.52 0.00 0.00 34.95 33.75 2dan s ARG 28 CO 0.15 0.04 2.19 0.00 0.02 0.00 0.00 175.30 177.70 2dan n SER 30 N 10.72 0.00 -0.06 0.00 2.88 -1.26 0.28 113.62 126.17 2dan n SER 30 Ca 0.34 0.14 -0.18 0.00 -1.33 0.00 0.00 58.87 57.84 2dan n SER 30 Cb 0.36 -0.26 -0.13 0.00 -0.75 0.00 0.00 64.21 63.43 2dan n SER 30 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dan h ARG 31 N 0.00 0.05 0.00 -1.46 3.08 -2.01 -3.43 114.38 110.61 2dan h ARG 31 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2dan h ARG 31 Cb 0.06 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2dan h ARG 31 CO 0.00 1.04 -0.75 0.00 -1.07 0.00 0.00 179.97 179.20 2dan n GLN 33 N -1.47 -1.18 -0.09 0.00 3.00 0.80 -4.80 117.38 113.65 2dan n GLN 33 Ca 0.00 0.54 0.04 0.00 -0.01 0.00 0.00 57.00 57.56 2dan n GLN 33 Cb 0.26 -4.64 0.08 0.00 0.00 0.00 0.00 30.24 25.94 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 -0.21 2.36 -4.21 1.08 3.02 -1.26 -4.80 115.26 111.24 2dan n ASN 34 Ca -0.12 -1.83 -0.12 0.00 -0.03 0.00 0.00 54.58 52.47 2dan n ASN 34 Cb 0.60 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.06 0.14 3.52 2.56 -1.26 -5.01 118.70 118.80 2dan s GLU 35 Ca 0.13 -1.51 0.10 0.00 0.00 0.00 0.00 54.97 53.69 2dan s GLU 35 Cb 0.07 -0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.08 2dan s GLU 35 CO 0.10 -0.18 -0.24 -1.58 -0.56 0.00 0.00 175.26 172.79 2dan s TRP 36 N -3.80 2.14 -0.23 5.30 0.52 -1.26 -1.98 118.94 119.63 2dan s TRP 36 Ca 0.25 -0.39 -0.13 0.00 0.02 0.00 0.00 56.10 55.85 2dan s TRP 36 Cb 0.07 -1.14 0.07 0.00 -1.15 0.00 0.00 33.47 31.32 2dan s TRP 36 CO 0.04 0.33 0.56 0.71 0.02 0.00 0.00 176.95 178.60 2dan s TYR 37 N -1.25 -0.86 0.27 -1.98 2.02 -1.00 -2.20 117.35 112.35 2dan s TYR 37 Ca 0.13 1.75 -0.00 0.00 -0.37 0.00 0.00 57.07 58.58 2dan s TYR 37 Cb -0.09 0.47 0.38 0.00 -0.40 0.00 0.00 41.96 42.31 2dan s TYR 37 CO 0.06 -0.45 1.75 0.00 -1.57 0.00 0.00 175.55 175.34 2dan h ARG 40 N 2.72 0.34 -0.56 0.00 9.65 -1.99 -3.01 114.38 121.53 2dan h ARG 40 Ca -0.36 -0.10 0.10 0.00 -1.10 0.00 0.00 59.98 58.53 2dan h ARG 40 Cb 1.22 -0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 29.65 2dan h ARG 40 CO 0.58 0.51 -0.30 1.49 2.80 0.00 0.00 179.97 185.05 2dan h GLU 41 N 0.12 -0.15 -0.11 0.20 4.81 -1.99 -1.09 114.58 116.37 2dan h GLU 41 Ca 0.06 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2dan h GLU 41 Cb 0.35 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 2dan h GLU 41 CO 0.01 -0.10 -0.22 0.00 -0.73 0.00 0.00 179.01 177.97 2dan n GLN 43 N -5.35 0.08 -0.11 0.00 7.27 -0.48 -0.75 117.38 118.03 2dan n GLN 43 Ca -0.03 0.54 -0.15 0.00 0.07 0.00 0.00 57.00 57.42 2dan n GLN 43 Cb 0.27 -1.92 -0.14 0.00 2.41 0.00 0.00 30.24 30.86 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 -1.93 1.48 -0.02 1.69 0.31 0.72 -3.81 118.33 116.77 2dan n VAL 44 Ca -0.01 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.52 2dan n VAL 44 Cb 0.18 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.00 0.11 0.00 5.55 1.57 0.13 -2.89 116.57 121.06 2dan h LYS 45 Ca -0.55 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2dan h LYS 45 Cb 2.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2dan h LYS 45 CO -0.03 0.50 0.00 1.58 -0.57 0.00 0.00 179.45 180.92 2dan n HIS 46 N -4.80 0.77 -0.39 -1.35 -0.00 -0.44 -3.73 115.22 105.28 2dan n HIS 46 Ca -0.07 0.30 -0.08 0.00 0.46 0.00 0.00 57.72 58.33 2dan n HIS 46 Cb 0.25 -0.98 -0.06 0.00 -0.12 0.00 0.00 29.99 29.08 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 -2.20 -0.29 -0.32 1.57 -0.00 -1.09 0.95 117.44 116.07 2dan n TRP 47 Ca 0.02 1.18 0.29 0.00 -0.00 0.00 0.00 57.50 59.00 2dan n TRP 47 Cb 0.24 -0.66 0.51 0.00 -0.00 0.00 0.00 31.31 31.40 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 -5.25 -0.04 -0.03 5.87 2.13 -1.24 0.12 120.64 122.20 2dan n GLU 48 Ca 0.04 1.08 -0.20 0.00 0.66 0.00 0.00 57.16 58.74 2dan n GLU 48 Cb 0.29 -2.02 -0.14 0.00 0.27 0.00 0.00 31.44 29.84 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 -4.61 0.73 0.34 5.31 5.02 0.27 -4.36 118.16 120.85 2dan n LYS 49 Ca 0.32 0.24 -0.14 0.00 -2.02 0.00 0.00 58.31 56.71 2dan n LYS 49 Cb 1.15 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.83 -1.56 2.13 2.76 0.46 -3.04 115.15 115.11 2dan h HIS 50 Ca -0.45 -0.02 0.45 0.00 -2.20 0.00 0.00 60.37 58.15 2dan h HIS 50 Cb 2.01 0.28 -0.06 0.00 1.55 0.00 0.00 27.41 31.18 2dan h HIS 50 CO 0.06 -0.52 1.12 0.41 -1.30 0.00 0.00 177.93 177.71 2dan n GLY 51 N -0.56 -0.78 0.15 5.26 0.00 0.33 0.79 105.19 110.38 2dan n GLY 51 Ca -0.11 0.55 -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 -0.01 -0.01 1.61 1.57 -1.70 -2.94 116.57 115.09 2dan h LYS 52 Ca 0.74 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.52 2dan h LYS 52 Cb 2.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.29 2dan h LYS 52 CO -0.01 -0.00 -0.26 0.25 -0.57 0.00 0.00 179.45 178.85 2dan n THR 53 N -5.27 0.00 -0.80 -0.16 -2.24 0.24 -5.03 114.28 101.02 2dan n THR 53 Ca 0.00 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 2dan n THR 53 Cb 0.19 1.16 0.12 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.08 -4.59 -4.53 0.00 2.88 -1.26 -4.88 113.62 101.16 2dan n SER 55 Ca 0.02 -0.02 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 2dan n SER 55 Cb 0.61 -3.73 -0.05 0.00 -0.75 0.00 0.00 64.21 60.29 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 -1.02 0.68 0.06 0.46 0.00 -1.20 -4.85 105.19 99.32 2dan n GLY 56 Ca -0.18 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 14.38 0.03 -3.44 1.61 0.13 -1.90 -3.43 132.00 139.38 2dan h PRO 57 Ca -0.33 -0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.24 2dan h PRO 57 Cb 1.28 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.01 2dan h PRO 57 CO 1.01 0.51 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.99 2dan s SER 58 N -5.73 3.43 -0.04 1.44 1.04 -1.26 -5.11 113.70 107.47 2dan s SER 58 Ca -0.16 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.06 2dan s SER 58 Cb 0.02 -0.66 0.03 0.00 0.10 0.00 0.00 66.02 65.51 2dan s SER 58 CO 0.68 -0.37 0.07 -0.55 0.98 0.00 0.00 173.24 174.06 2dan s SER 59 N 1.80 0.53 0.00 7.02 0.15 -1.26 -5.27 113.70 116.67 2dan s SER 59 Ca 0.04 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2dan s SER 59 Cb -0.17 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2dan s SER 59 CO -0.19 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.67