#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dan s SER 2 N 0.00 7.17 -0.12 1.61 0.15 -1.26 -5.01 113.70 116.24 2dan s SER 2 Ca 0.00 1.40 -0.04 0.00 0.70 0.00 0.00 55.95 58.00 2dan s SER 2 Cb 0.00 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2dan s SER 2 CO 0.00 0.24 -0.08 0.28 1.20 0.00 0.00 173.24 174.87 2dan h SER 3 N 4.37 0.00 0.00 5.45 0.02 -2.12 -3.50 113.55 117.77 2dan h SER 3 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2dan h SER 3 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2dan h SER 3 CO 0.64 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.56 2dan n GLY 4 N 1.70 0.33 3.23 -3.77 0.00 -1.26 -5.09 105.19 100.33 2dan n GLY 4 Ca -0.03 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2dan n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dan s SER 5 N 0.00 6.66 -0.30 1.61 0.01 -1.26 -4.93 113.70 115.50 2dan s SER 5 Ca 0.00 -3.60 -0.05 0.00 1.31 0.00 0.00 55.95 53.61 2dan s SER 5 Cb 0.00 -2.07 0.19 0.00 0.21 0.00 0.00 66.02 64.35 2dan s SER 5 CO 0.00 -0.25 0.81 -0.94 0.41 0.00 0.00 173.24 173.27 2dan s SER 6 N 0.68 -0.99 0.00 2.44 1.04 -1.26 -5.06 113.70 110.55 2dan s SER 6 Ca 0.28 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2dan s SER 6 Cb -0.09 1.76 0.00 0.00 0.10 0.00 0.00 66.02 67.79 2dan s SER 6 CO -0.10 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2dan n GLY 7 N 5.40 0.69 3.45 7.32 0.00 -1.26 -5.06 105.19 115.73 2dan n GLY 7 Ca -0.01 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 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 5.18 -0.39 0.99 1.02 -1.26 -4.91 118.68 119.30 2dan s LEU 8 Ca 0.00 -2.73 0.01 0.00 0.02 0.00 0.00 54.13 51.43 2dan s LEU 8 Cb 0.00 -2.38 0.12 0.00 0.02 0.00 0.00 46.19 43.95 2dan s LEU 8 CO 0.00 -0.81 0.19 -1.61 0.02 0.00 0.00 176.35 174.13 2dan s GLU 9 N 1.71 1.10 -0.36 1.70 8.01 -1.26 -5.06 118.70 124.53 2dan s GLU 9 Ca 0.38 -1.70 0.03 0.00 0.01 0.00 0.00 54.97 53.69 2dan s GLU 9 Cb -0.04 -2.25 0.11 0.00 -4.31 0.00 0.00 34.13 27.64 2dan s GLU 9 CO -0.04 -1.10 0.10 0.00 0.01 0.00 0.00 175.26 174.24 2dan s ALA 10 N 0.78 2.62 -0.23 5.21 0.00 -1.26 -5.07 121.76 123.81 2dan s ALA 10 Ca 0.15 -2.46 0.02 0.00 0.00 0.00 0.00 51.96 49.66 2dan s ALA 10 Cb -0.22 -1.92 0.05 0.00 0.00 0.00 0.00 23.12 21.03 2dan s ALA 10 CO -0.07 -1.75 -0.11 0.54 0.00 0.00 0.00 175.76 174.36 2dan s VAL 11 N 0.85 1.88 0.08 0.00 0.11 -1.26 -5.12 120.40 116.94 2dan s VAL 11 Ca 0.12 -1.30 0.02 0.00 -2.93 0.00 0.00 61.98 57.89 2dan s VAL 11 Cb -0.20 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 2dan s VAL 11 CO -0.10 0.07 0.11 0.00 -3.33 0.00 0.00 175.10 171.85 2dan s ALA 12 N 1.26 3.66 1.12 1.54 0.00 -1.26 -5.12 121.76 122.97 2dan s ALA 12 Ca -0.05 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 2dan s ALA 12 Cb -0.18 -1.51 0.25 0.00 0.00 0.00 0.00 23.12 21.68 2dan s ALA 12 CO -0.07 0.77 1.10 -1.25 0.00 0.00 0.00 175.76 176.31 2dan s PRO 13 N -2.41 -0.60 0.15 0.00 0.04 -1.26 -5.08 135.00 125.84 2dan s PRO 13 Ca 0.30 0.16 0.10 0.00 0.04 0.00 0.00 61.00 61.61 2dan s PRO 13 Cb -0.12 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2dan s PRO 13 CO 0.23 -3.34 -0.21 -2.00 0.04 0.00 0.00 177.00 171.72 2dan s GLU 14 N -5.22 1.63 -0.08 4.56 2.12 -1.26 -5.14 118.70 115.31 2dan s GLU 14 Ca 0.69 -1.34 -0.22 0.00 0.36 0.00 0.00 54.97 54.45 2dan s GLU 14 Cb -0.13 -1.98 0.05 0.00 0.26 0.00 0.00 34.13 32.33 2dan s GLU 14 CO 0.57 0.44 0.51 -0.98 -0.54 0.00 0.00 175.26 175.26 2dan s ARG 15 N -2.36 0.81 0.00 4.30 1.70 -1.26 -5.18 118.95 116.96 2dan s ARG 15 Ca 0.18 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 2dan s ARG 15 Cb -0.09 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2dan s ARG 15 CO 0.09 -0.21 0.00 -0.35 -1.08 0.00 0.00 175.30 173.75 2dan n PRO 16 N 1.53 0.18 -3.75 3.89 -0.04 -1.26 -4.91 135.00 130.65 2dan n PRO 16 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 2dan n PRO 16 Cb 0.56 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 -1.21 0.45 0.97 0.54 6.06 -1.26 -3.35 118.95 121.14 2dan s ARG 17 Ca 0.00 0.46 -0.11 0.00 -2.50 0.00 0.00 55.73 53.58 2dan s ARG 17 Cb 0.00 0.22 0.16 0.00 0.06 0.00 0.00 34.95 35.39 2dan s ARG 17 CO 0.00 -0.06 1.04 0.00 -2.50 0.00 0.00 175.30 173.77 2dan n ALA 19 N -4.33 2.38 0.00 0.00 0.00 -1.01 -3.18 120.51 114.36 2dan n ALA 19 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2dan n ALA 19 Cb 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 0.89 0.00 0.23 0.00 4.19 -1.26 -4.82 117.16 116.40 2dan n TYR 20 Ca 0.12 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.35 2dan n TYR 20 Cb 0.44 0.01 -0.03 0.00 0.49 0.00 0.00 39.34 40.25 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 -1.08 -5.96 -4.86 0.00 7.64 -1.19 -4.93 113.62 103.24 2dan n SER 22 Ca 0.01 -0.41 -0.23 0.00 1.01 0.00 0.00 58.87 59.25 2dan n SER 22 Cb 0.08 -4.65 -0.04 0.00 -1.01 0.00 0.00 64.21 58.59 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 -3.24 3.69 -0.44 -0.43 0.00 -1.26 -4.51 121.76 115.58 2dan s ALA 23 Ca 0.45 -1.31 -0.38 0.00 0.00 0.00 0.00 51.96 50.72 2dan s ALA 23 Cb -0.20 -1.45 -0.14 0.00 0.00 0.00 0.00 23.12 21.33 2dan s ALA 23 CO 0.55 0.32 2.21 0.39 0.00 0.00 0.00 175.76 179.23 2dan n GLU 24 N -1.04 0.66 -2.94 0.00 1.02 -1.26 0.35 120.64 117.42 2dan n GLU 24 Ca -0.08 0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 56.95 2dan n GLU 24 Cb 0.57 -2.12 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 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 7.14 3.49 0.00 0.62 0.00 -1.21 -4.52 121.76 127.28 2dan s ALA 25 Ca 1.14 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2dan s ALA 25 Cb -1.07 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2dan s ALA 25 CO 0.54 -0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.60 2dan n SER 26 N -1.79 2.59 -4.45 0.00 7.64 -1.26 -4.23 113.62 112.12 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 0.55 0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.58 2.02 0.39 1.43 -0.14 -1.26 -5.05 119.74 115.55 2dan s LYS 27 Ca 0.00 -1.01 0.08 0.00 -1.36 0.00 0.00 55.97 53.67 2dan s LYS 27 Cb 0.00 -2.16 -0.00 0.00 -1.68 0.00 0.00 37.83 33.98 2dan s LYS 27 CO 0.00 0.53 0.50 1.03 -0.76 0.00 0.00 175.35 176.65 2dan s ARG 28 N -1.50 2.87 -0.11 1.68 0.52 -1.26 -2.48 118.95 118.68 2dan s ARG 28 Ca 0.15 -1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 53.83 2dan s ARG 28 Cb -0.10 -2.71 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 2dan s ARG 28 CO 0.05 -0.14 2.04 0.00 0.02 0.00 0.00 175.30 177.27 2dan n SER 30 N 8.60 0.00 -0.10 0.00 2.88 -1.26 0.24 113.62 123.98 2dan n SER 30 Ca 0.26 -0.52 -0.23 0.00 -1.33 0.00 0.00 58.87 57.04 2dan n SER 30 Cb 0.37 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.71 2dan n SER 30 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dan n ARG 31 N -0.99 0.60 0.00 -1.46 1.74 -1.26 -4.74 116.66 110.55 2dan n ARG 31 Ca 0.12 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2dan n ARG 31 Cb 0.06 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 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 -1.20 -2.13 -0.02 0.00 3.00 0.67 -4.80 117.38 112.91 2dan n GLN 33 Ca 0.00 0.97 0.03 0.00 -0.01 0.00 0.00 57.00 57.99 2dan n GLN 33 Cb 0.02 -5.63 0.04 0.00 0.00 0.00 0.00 30.24 24.67 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 -1.96 1.70 -4.36 1.08 3.02 -1.26 -4.80 115.26 108.67 2dan n ASN 34 Ca -0.22 -1.40 -0.18 0.00 -0.03 0.00 0.00 54.58 52.75 2dan n ASN 34 Cb 0.67 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.60 1.41 0.12 3.52 2.56 -1.26 -5.00 118.70 119.44 2dan s GLU 35 Ca 0.08 -1.72 0.09 0.00 0.00 0.00 0.00 54.97 53.43 2dan s GLU 35 Cb 0.05 -0.76 -0.04 0.00 2.00 0.00 0.00 34.13 35.39 2dan s GLU 35 CO 0.08 -0.07 -0.23 -1.58 -0.56 0.00 0.00 175.26 172.89 2dan s TRP 36 N -3.32 2.01 -0.24 5.30 0.52 -1.26 -1.80 118.94 120.14 2dan s TRP 36 Ca 0.29 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 55.92 2dan s TRP 36 Cb 0.05 -1.09 0.10 0.00 -1.15 0.00 0.00 33.47 31.39 2dan s TRP 36 CO 0.10 0.27 0.53 0.71 0.02 0.00 0.00 176.95 178.58 2dan s TYR 37 N -1.15 -1.03 0.34 -1.98 2.02 -1.03 -2.41 117.35 112.11 2dan s TYR 37 Ca 0.10 1.89 0.03 0.00 -0.37 0.00 0.00 57.07 58.72 2dan s TYR 37 Cb -0.10 0.53 0.65 0.00 -0.40 0.00 0.00 41.96 42.65 2dan s TYR 37 CO 0.05 -0.55 1.96 0.00 -1.57 0.00 0.00 175.55 175.44 2dan h ARG 40 N 3.26 0.52 -0.54 0.00 9.65 -1.99 -2.79 114.38 122.49 2dan h ARG 40 Ca -0.34 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.61 2dan h ARG 40 Cb 1.15 -0.12 -0.11 0.00 -1.39 0.00 0.00 29.97 29.51 2dan h ARG 40 CO 0.63 0.35 -0.31 1.49 2.80 0.00 0.00 179.97 184.93 2dan h GLU 41 N 0.54 -0.16 -0.35 0.20 4.81 -1.98 -0.61 114.58 117.03 2dan h GLU 41 Ca 0.18 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2dan h GLU 41 Cb 0.02 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2dan h GLU 41 CO -0.08 -0.11 -0.07 0.00 -0.73 0.00 0.00 179.01 178.01 2dan n GLN 43 N -5.26 0.10 -0.10 0.00 7.27 -0.30 -1.22 117.38 117.86 2dan n GLN 43 Ca 0.01 0.59 -0.15 0.00 0.07 0.00 0.00 57.00 57.52 2dan n GLN 43 Cb 0.19 -1.91 -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 -2.06 1.49 -0.03 1.69 0.31 0.99 -3.73 118.33 116.99 2dan n VAL 44 Ca -0.01 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.51 2dan n VAL 44 Cb 0.09 -1.13 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 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 0.18 0.00 5.55 1.57 0.52 -2.90 116.57 121.49 2dan h LYS 45 Ca -0.54 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2dan h LYS 45 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 2dan h LYS 45 CO -0.03 0.59 0.00 1.58 -0.57 0.00 0.00 179.45 181.02 2dan n HIS 46 N -4.72 0.00 -0.33 -1.35 -0.00 -0.36 -3.96 115.22 104.50 2dan n HIS 46 Ca -0.07 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.01 2dan n HIS 46 Cb 0.29 -0.42 -0.09 0.00 -0.12 0.00 0.00 29.99 29.65 2dan n HIS 46 CO 0.00 0.00 0.00 2.35 0.46 0.00 0.00 176.34 179.15 2dan h TRP 47 N 0.00 -1.62 -0.79 1.57 2.91 -1.59 0.61 115.95 117.04 2dan h TRP 47 Ca 0.00 0.11 0.27 0.00 1.13 0.00 0.00 58.89 60.40 2dan h TRP 47 Cb 0.30 0.81 -0.15 0.00 -0.51 0.00 0.00 29.16 29.61 2dan h TRP 47 CO 0.00 -0.33 0.21 -1.91 -1.03 0.00 0.00 178.44 175.38 2dan n GLU 48 N -4.95 -0.06 0.03 2.65 2.13 -1.25 0.24 120.64 119.42 2dan n GLU 48 Ca 0.01 1.14 -0.10 0.00 0.66 0.00 0.00 57.16 58.88 2dan n GLU 48 Cb 0.23 -1.92 -0.13 0.00 0.27 0.00 0.00 31.44 29.89 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 0.05 0.10 5.31 6.56 -0.52 -3.37 116.57 124.70 2dan h LYS 49 Ca 0.57 -0.09 -0.00 0.00 -1.06 0.00 0.00 60.65 60.07 2dan h LYS 49 Cb 1.36 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.06 2dan h LYS 49 CO -0.68 0.82 -0.05 1.25 -2.06 0.00 0.00 179.45 178.74 2dan h HIS 50 N 0.01 -0.12 -0.83 -1.35 2.76 0.81 -3.32 115.15 113.11 2dan h HIS 50 Ca -0.17 -0.00 0.29 0.00 -2.20 0.00 0.00 60.37 58.29 2dan h HIS 50 Cb 1.92 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 30.83 2dan h HIS 50 CO 0.01 -0.08 0.53 0.41 -1.30 0.00 0.00 177.93 177.51 2dan n GLY 51 N 1.35 -0.51 0.34 5.26 0.00 0.47 0.71 105.19 112.81 2dan n GLY 51 Ca -0.02 0.46 -0.07 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 -0.22 -0.01 1.61 1.57 -1.72 -2.44 116.57 115.36 2dan h LYS 52 Ca 0.53 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2dan h LYS 52 Cb 1.71 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2dan h LYS 52 CO -0.28 -0.15 -0.51 0.25 -0.57 0.00 0.00 179.45 178.19 2dan n THR 53 N -5.42 0.00 -0.80 -0.16 -2.24 0.22 -5.01 114.28 100.87 2dan n THR 53 Ca 0.02 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2dan n THR 53 Cb 0.34 1.16 0.12 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.02 -6.14 -4.61 0.00 3.41 -1.26 -4.90 113.62 100.10 2dan n SER 55 Ca 0.01 -0.35 -0.43 0.00 -0.26 0.00 0.00 58.87 57.85 2dan n SER 55 Cb 0.62 -4.93 -0.02 0.00 -0.26 0.00 0.00 64.21 59.61 2dan n SER 55 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dan s GLY 56 N -2.83 1.08 0.50 5.00 0.00 -1.20 -4.87 107.32 105.00 2dan s GLY 56 Ca 0.37 0.16 0.32 0.00 0.00 0.00 0.00 44.72 45.57 2dan s GLY 56 CO 0.46 2.95 1.94 -0.56 0.00 0.00 0.00 173.10 177.89 2dan h PRO 57 N 11.13 0.00 -4.25 2.90 0.13 -1.91 -3.47 132.00 136.53 2dan h PRO 57 Ca -0.31 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.38 2dan h PRO 57 Cb 1.13 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.37 2dan h PRO 57 CO 1.04 0.00 -0.65 0.45 -0.23 0.00 0.00 178.00 178.61 2dan n SER 58 N -2.92 -1.95 -3.53 1.44 2.88 -1.26 -2.02 113.62 106.27 2dan n SER 58 Ca 0.01 0.59 -0.21 0.00 -1.33 0.00 0.00 58.87 57.93 2dan n SER 58 Cb 0.28 -0.63 0.08 0.00 -0.75 0.00 0.00 64.21 63.20 2dan n SER 58 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dan n SER 59 N 1.64 -4.80 0.00 -3.46 7.64 -1.26 -5.15 113.62 108.23 2dan n SER 59 Ca 0.08 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2dan n SER 59 Cb 0.27 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64