#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 6.60 -3.47 1.61 7.64 -1.26 -4.95 113.62 119.79 2dan n SER 2 Ca 0.00 -3.50 -0.11 0.00 1.01 0.00 0.00 58.87 56.28 2dan n SER 2 Cb 0.00 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 61.96 2dan n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dan s SER 3 N -1.73 -0.51 0.00 6.43 0.01 -1.26 -5.08 113.70 111.57 2dan s SER 3 Ca 0.34 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2dan s SER 3 Cb 0.09 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2dan s SER 3 CO 0.04 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2dan n GLY 4 N -0.37 0.05 3.87 3.44 0.00 -1.26 -5.08 105.19 105.84 2dan n GLY 4 Ca -0.15 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.70 6.61 0.20 1.61 0.15 -1.26 -5.09 113.70 115.22 2dan s SER 5 Ca 0.00 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.26 2dan s SER 5 Cb 0.00 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2dan s SER 5 CO 0.00 0.20 0.41 -0.44 1.20 0.00 0.00 173.24 174.62 2dan s SER 6 N -1.70 -0.09 0.00 5.45 0.01 -1.26 -5.06 113.70 111.05 2dan s SER 6 Ca 0.31 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2dan s SER 6 Cb -0.14 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2dan s SER 6 CO 0.17 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2dan n GLY 7 N -0.30 0.42 3.31 3.44 0.00 -1.26 -5.10 105.19 105.70 2dan n GLY 7 Ca -0.06 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 2dan n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dan s LEU 8 N 0.00 5.99 -0.29 0.99 1.43 -1.26 -5.02 118.68 120.52 2dan s LEU 8 Ca 0.00 -1.70 0.03 0.00 -1.03 0.00 0.00 54.13 51.43 2dan s LEU 8 Cb 0.00 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2dan s LEU 8 CO 0.00 -0.79 -0.02 -1.83 0.23 0.00 0.00 176.35 173.94 2dan s GLU 9 N 1.58 1.71 -0.46 1.70 -1.05 -1.26 -5.08 118.70 115.84 2dan s GLU 9 Ca 0.03 -1.49 -0.12 0.00 -0.15 0.00 0.00 54.97 53.24 2dan s GLU 9 Cb -0.28 -2.91 0.09 0.00 -0.44 0.00 0.00 34.13 30.59 2dan s GLU 9 CO 0.03 -0.76 0.35 0.00 0.95 0.00 0.00 175.26 175.83 2dan s ALA 10 N 1.10 3.44 -0.46 -0.84 0.00 -1.26 -5.04 121.76 118.71 2dan s ALA 10 Ca 0.01 -2.24 -0.09 0.00 0.00 0.00 0.00 51.96 49.64 2dan s ALA 10 Cb -0.19 -2.89 0.11 0.00 0.00 0.00 0.00 23.12 20.15 2dan s ALA 10 CO -0.08 -1.76 0.32 0.08 0.00 0.00 0.00 175.76 174.33 2dan s VAL 11 N 1.51 4.16 0.11 0.00 1.01 -1.26 -5.08 120.40 120.84 2dan s VAL 11 Ca 0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 2dan s VAL 11 Cb -0.25 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2dan s VAL 11 CO 0.03 -0.73 0.32 0.00 0.00 0.00 0.00 175.10 174.73 2dan s ALA 12 N 1.36 3.85 1.00 5.51 0.00 -1.26 -5.11 121.76 127.11 2dan s ALA 12 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2dan s ALA 12 Cb -0.26 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2dan s ALA 12 CO -0.01 0.71 0.00 -0.35 0.00 0.00 0.00 175.76 176.11 2dan n PRO 13 N 0.27 -0.07 -4.02 0.00 -0.04 -1.26 -5.10 135.00 124.78 2dan n PRO 13 Ca -0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 2dan n PRO 13 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.59 0.84 -0.07 0.54 -1.05 -1.26 -5.18 118.70 110.94 2dan s GLU 14 Ca 0.00 -1.19 -0.27 0.00 -0.15 0.00 0.00 54.97 53.36 2dan s GLU 14 Cb 0.00 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 34.03 2dan s GLU 14 CO 0.00 -0.24 0.60 -0.98 0.95 0.00 0.00 175.26 175.59 2dan s ARG 15 N -3.94 0.94 0.00 -4.83 1.70 -1.26 -5.17 118.95 106.39 2dan s ARG 15 Ca 0.12 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 2dan s ARG 15 Cb 0.06 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 2dan s ARG 15 CO -0.06 -0.27 0.00 -0.35 -1.08 0.00 0.00 175.30 173.54 2dan n PRO 16 N 1.21 0.14 -3.76 3.89 -0.04 -1.26 -4.89 135.00 130.29 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 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.27 0.29 0.95 0.54 6.06 -1.26 -3.13 118.95 121.12 2dan s ARG 17 Ca 0.00 0.45 -0.12 0.00 -2.50 0.00 0.00 55.73 53.56 2dan s ARG 17 Cb 0.00 0.06 0.09 0.00 0.06 0.00 0.00 34.95 35.17 2dan s ARG 17 CO 0.00 -0.08 0.73 0.00 -2.50 0.00 0.00 175.30 173.45 2dan n ALA 19 N -3.95 2.40 0.00 0.00 0.00 -0.91 -3.06 120.51 115.00 2dan n ALA 19 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2dan n ALA 19 Cb 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 1.06 0.00 0.29 0.00 4.19 -1.26 -4.81 117.16 116.62 2dan n TYR 20 Ca 0.13 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.37 2dan n TYR 20 Cb 0.48 0.01 -0.03 0.00 0.49 0.00 0.00 39.34 40.29 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 -0.94 -6.28 -4.77 0.00 3.41 -1.17 -4.92 113.62 98.94 2dan n SER 22 Ca 0.02 -0.48 -0.25 0.00 -0.26 0.00 0.00 58.87 57.90 2dan n SER 22 Cb 0.11 -4.98 -0.06 0.00 -0.26 0.00 0.00 64.21 59.02 2dan n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dan s ALA 23 N -3.28 3.49 -0.50 7.33 0.00 -1.26 -4.49 121.76 123.05 2dan s ALA 23 Ca 0.51 -1.29 -0.40 0.00 0.00 0.00 0.00 51.96 50.78 2dan s ALA 23 Cb -0.23 -1.26 -0.18 0.00 0.00 0.00 0.00 23.12 21.45 2dan s ALA 23 CO 0.63 0.45 2.03 0.39 0.00 0.00 0.00 175.76 179.27 2dan n GLU 24 N -0.46 0.00 -3.07 0.00 1.02 -1.26 -0.02 120.64 116.85 2dan n GLU 24 Ca -0.08 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 2dan n GLU 24 Cb 0.55 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 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 5.81 3.47 0.00 0.62 0.00 -1.19 -4.42 121.76 126.05 2dan s ALA 25 Ca 1.13 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2dan s ALA 25 Cb -1.38 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2dan s ALA 25 CO 0.60 0.10 0.00 0.43 0.00 0.00 0.00 175.76 176.90 2dan n SER 26 N -1.13 2.83 -4.37 0.00 7.64 -1.21 -4.18 113.62 113.21 2dan n SER 26 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2dan n SER 26 Cb 0.54 0.15 -0.15 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.64 2.15 0.41 1.43 -0.14 -1.22 -5.02 119.74 115.71 2dan s LYS 27 Ca 0.00 -0.91 0.05 0.00 -1.36 0.00 0.00 55.97 53.75 2dan s LYS 27 Cb 0.00 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 2dan s LYS 27 CO 0.00 0.57 0.58 1.03 -0.76 0.00 0.00 175.35 176.76 2dan s ARG 28 N -0.80 2.94 -0.15 1.68 0.52 -1.26 -1.88 118.95 119.99 2dan s ARG 28 Ca 0.11 -0.95 -0.33 0.00 -0.52 0.00 0.00 55.73 54.04 2dan s ARG 28 Cb -0.10 -2.71 -0.10 0.00 0.52 0.00 0.00 34.95 32.56 2dan s ARG 28 CO 0.00 -0.21 2.01 0.00 0.02 0.00 0.00 175.30 177.12 2dan n SER 30 N 8.21 0.00 -0.08 0.00 3.41 -1.26 0.25 113.62 124.14 2dan n SER 30 Ca 0.27 -0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 58.12 2dan n SER 30 Cb 0.32 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.13 2dan n SER 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dan n ARG 31 N -1.02 0.64 0.00 4.33 1.74 -1.26 -4.75 116.66 116.33 2dan n ARG 31 Ca 0.13 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2dan n ARG 31 Cb 0.07 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.21 -1.30 0.00 0.00 3.00 0.68 -4.85 117.38 113.70 2dan n GLN 33 Ca 0.00 0.98 0.08 0.00 -0.01 0.00 0.00 57.00 58.05 2dan n GLN 33 Cb 0.11 -5.34 0.00 0.00 0.00 0.00 0.00 30.24 25.01 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 -1.08 1.65 -4.51 1.08 3.02 -1.26 -4.76 115.26 109.40 2dan n ASN 34 Ca -0.19 -1.33 -0.24 0.00 -0.03 0.00 0.00 54.58 52.79 2dan n ASN 34 Cb 0.62 0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 40.13 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 -1.88 1.75 0.15 3.52 2.56 -1.26 -5.00 118.70 118.54 2dan s GLU 35 Ca 0.14 -1.95 0.09 0.00 0.00 0.00 0.00 54.97 53.24 2dan s GLU 35 Cb 0.13 -1.29 -0.04 0.00 2.00 0.00 0.00 34.13 34.93 2dan s GLU 35 CO 0.40 -0.05 -0.20 -1.58 -0.56 0.00 0.00 175.26 173.26 2dan s TRP 36 N -2.96 1.93 -0.23 5.30 0.52 -1.26 -1.89 118.94 120.36 2dan s TRP 36 Ca 0.34 -0.43 -0.14 0.00 0.02 0.00 0.00 56.10 55.89 2dan s TRP 36 Cb 0.07 -0.99 0.07 0.00 -1.15 0.00 0.00 33.47 31.47 2dan s TRP 36 CO 0.16 0.33 0.57 0.71 0.02 0.00 0.00 176.95 178.74 2dan s TYR 37 N -1.71 -0.82 0.24 -1.98 2.02 -0.79 -2.14 117.35 112.17 2dan s TYR 37 Ca 0.14 1.72 -0.00 0.00 -0.37 0.00 0.00 57.07 58.56 2dan s TYR 37 Cb -0.07 0.43 0.26 0.00 -0.40 0.00 0.00 41.96 42.17 2dan s TYR 37 CO 0.07 -0.42 1.62 0.00 -1.57 0.00 0.00 175.55 175.24 2dan h ARG 40 N 3.02 0.91 -0.19 0.00 9.65 -1.98 -2.91 114.38 122.88 2dan h ARG 40 Ca -0.35 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 58.50 2dan h ARG 40 Cb 1.16 -0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.48 2dan h ARG 40 CO 0.64 0.65 -0.38 1.49 2.80 0.00 0.00 179.97 185.17 2dan h GLU 41 N 0.92 -0.40 -0.35 0.20 4.81 -1.99 -1.94 114.58 115.82 2dan h GLU 41 Ca 0.24 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 2dan h GLU 41 Cb -0.03 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 2dan h GLU 41 CO -0.05 -0.27 -0.19 0.00 -0.73 0.00 0.00 179.01 177.78 2dan n GLN 43 N -5.36 0.08 -0.11 0.00 7.27 -0.78 -1.07 117.38 117.41 2dan n GLN 43 Ca 0.01 0.53 -0.14 0.00 0.07 0.00 0.00 57.00 57.47 2dan n GLN 43 Cb 0.27 -1.92 -0.11 0.00 2.41 0.00 0.00 30.24 30.90 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 -1.90 1.25 0.02 1.69 0.31 0.16 -3.92 118.33 115.93 2dan n VAL 44 Ca -0.01 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.67 2dan n VAL 44 Cb 0.18 -1.15 -0.08 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.02 0.00 5.55 1.57 0.11 -2.53 116.57 121.26 2dan h LYS 45 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2dan h LYS 45 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 2dan h LYS 45 CO -0.06 0.20 0.00 1.58 -0.57 0.00 0.00 179.45 180.60 2dan n HIS 46 N -5.00 0.44 -0.33 -1.35 -0.00 -0.45 -3.91 115.22 104.63 2dan n HIS 46 Ca -0.08 0.16 -0.09 0.00 0.46 0.00 0.00 57.72 58.18 2dan n HIS 46 Cb 0.13 -0.76 -0.08 0.00 -0.12 0.00 0.00 29.99 29.16 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 -1.89 -0.34 -0.27 1.57 -0.00 -0.95 0.11 117.44 115.67 2dan n TRP 47 Ca 0.04 0.97 0.25 0.00 -0.00 0.00 0.00 57.50 58.76 2dan n TRP 47 Cb 0.25 -0.56 0.46 0.00 -0.00 0.00 0.00 31.31 31.46 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 -4.86 -0.05 0.01 5.87 2.13 -1.25 0.19 120.64 122.68 2dan n GLU 48 Ca 0.02 1.16 -0.13 0.00 0.66 0.00 0.00 57.16 58.86 2dan n GLU 48 Cb 0.20 -2.04 -0.14 0.00 0.27 0.00 0.00 31.44 29.73 2dan n GLU 48 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2dan h LYS 49 N 0.00 0.12 0.23 5.31 6.56 0.54 -3.38 116.57 125.95 2dan h LYS 49 Ca 0.68 -0.21 -0.01 0.00 -1.06 0.00 0.00 60.65 60.05 2dan h LYS 49 Cb 1.76 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.49 2dan h LYS 49 CO -0.66 0.85 -0.11 1.25 -2.06 0.00 0.00 179.45 178.72 2dan h HIS 50 N 0.03 -0.28 -1.03 -1.35 2.76 0.65 -3.27 115.15 112.66 2dan h HIS 50 Ca -0.28 -0.01 0.34 0.00 -2.20 0.00 0.00 60.37 58.22 2dan h HIS 50 Cb 2.00 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 30.97 2dan h HIS 50 CO 0.03 -0.17 0.69 0.41 -1.30 0.00 0.00 177.93 177.59 2dan n GLY 51 N 0.76 -0.59 0.21 5.26 0.00 0.38 0.11 105.19 111.32 2dan n GLY 51 Ca -0.04 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 0.03 0.00 1.61 1.57 -1.73 -2.54 116.57 115.51 2dan h LYS 52 Ca 0.60 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2dan h LYS 52 Cb 2.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.37 2dan h LYS 52 CO -0.22 0.02 -1.01 0.25 -0.57 0.00 0.00 179.45 177.91 2dan n THR 53 N -5.34 0.00 -0.82 -0.16 -2.24 0.30 -5.01 114.28 101.00 2dan n THR 53 Ca 0.06 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 2dan n THR 53 Cb 0.29 0.82 0.11 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.45 -5.98 0.00 0.00 3.41 -1.26 -4.96 113.62 105.28 2dan n SER 55 Ca 0.01 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 2dan n SER 55 Cb 0.64 -4.72 0.00 0.00 -0.26 0.00 0.00 64.21 59.87 2dan n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dan n GLY 56 N -1.67 -2.67 3.58 5.00 0.00 -1.22 -4.52 105.19 103.70 2dan n GLY 56 Ca -0.06 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2dan n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dan s PRO 57 N 0.00 2.49 -0.32 1.61 0.04 -1.26 -4.89 135.00 132.68 2dan s PRO 57 Ca 0.00 -1.17 -0.00 0.00 0.04 0.00 0.00 61.00 59.87 2dan s PRO 57 Cb 0.00 -5.24 0.07 0.00 0.04 0.00 0.00 34.50 29.37 2dan s PRO 57 CO 0.00 -3.99 0.02 -1.12 0.04 0.00 0.00 177.00 171.95 2dan s SER 58 N 6.50 4.85 -0.39 6.66 0.01 -1.26 -4.98 113.70 125.09 2dan s SER 58 Ca 0.68 -1.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 2dan s SER 58 Cb -0.01 -1.69 0.21 0.00 0.21 0.00 0.00 66.02 64.74 2dan s SER 58 CO 0.13 -0.31 2.18 -1.54 0.41 0.00 0.00 173.24 174.11 2dan n SER 59 N 4.52 6.61 0.00 2.44 3.41 -1.26 -5.19 113.62 124.15 2dan n SER 59 Ca -0.09 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 2dan n SER 59 Cb 0.43 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49