#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 4.17 0.64 1.61 0.01 -1.26 -5.12 113.70 113.75 2dan s SER 2 Ca 0.00 -1.02 -0.17 0.00 1.31 0.00 0.00 55.95 56.06 2dan s SER 2 Cb 0.00 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 2dan s SER 2 CO 0.00 -0.27 1.20 -0.94 0.41 0.00 0.00 173.24 173.64 2dan s SER 3 N -3.73 4.87 0.25 2.44 1.04 -1.26 -5.03 113.70 112.28 2dan s SER 3 Ca 0.35 2.35 0.07 0.00 0.48 0.00 0.00 55.95 59.19 2dan s SER 3 Cb 0.01 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2dan s SER 3 CO 0.19 -1.81 0.23 -0.83 0.98 0.00 0.00 173.24 172.01 2dan s GLY 4 N -1.82 1.39 -0.40 7.32 0.00 -1.26 -5.09 107.32 107.45 2dan s GLY 4 Ca 0.76 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 44.11 2dan s GLY 4 CO 0.38 -1.43 0.14 -0.56 0.00 0.00 0.00 173.10 171.63 2dan s SER 5 N -3.88 4.37 -0.27 1.64 0.01 -1.26 -5.07 113.70 109.24 2dan s SER 5 Ca 0.34 -2.39 -0.22 0.00 1.31 0.00 0.00 55.95 54.99 2dan s SER 5 Cb -0.08 -1.43 0.07 0.00 0.21 0.00 0.00 66.02 64.79 2dan s SER 5 CO 0.26 -0.33 0.70 -0.55 0.41 0.00 0.00 173.24 173.73 2dan s SER 6 N 0.59 -0.79 -0.50 2.44 0.15 -1.26 -5.12 113.70 109.21 2dan s SER 6 Ca 0.13 1.44 0.03 0.00 0.70 0.00 0.00 55.95 58.26 2dan s SER 6 Cb -0.21 1.42 0.14 0.00 -1.71 0.00 0.00 66.02 65.65 2dan s SER 6 CO -0.07 -0.24 0.28 -0.83 1.20 0.00 0.00 173.24 173.57 2dan s GLY 7 N 0.75 2.07 -0.81 9.45 0.00 -1.26 -5.05 107.32 112.47 2dan s GLY 7 Ca -0.03 -2.97 -0.25 0.00 0.00 0.00 0.00 44.72 41.47 2dan s GLY 7 CO -0.05 1.33 1.85 1.08 0.00 0.00 0.00 173.10 177.30 2dan s LEU 8 N -0.09 3.23 -0.70 0.66 1.43 -1.26 -4.88 118.68 117.07 2dan s LEU 8 Ca 0.19 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2dan s LEU 8 Cb -0.21 -2.55 0.18 0.00 0.03 0.00 0.00 46.19 43.63 2dan s LEU 8 CO -0.03 -2.49 0.52 -1.84 0.23 0.00 0.00 176.35 172.74 2dan n GLU 9 N 8.99 1.89 -2.40 1.70 0.28 -1.26 -5.04 120.64 124.82 2dan n GLU 9 Ca 0.31 -4.51 -0.38 0.00 -0.16 0.00 0.00 57.16 52.43 2dan n GLU 9 Cb 0.49 -2.29 -0.03 0.00 1.43 0.00 0.00 31.44 31.04 2dan n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dan s ALA 10 N -1.56 2.44 -0.47 -1.84 0.00 -1.26 -4.95 121.76 114.12 2dan s ALA 10 Ca 0.26 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 2dan s ALA 10 Cb -0.03 -4.46 0.03 0.00 0.00 0.00 0.00 23.12 18.67 2dan s ALA 10 CO -0.16 -3.84 0.71 0.54 0.00 0.00 0.00 175.76 173.01 2dan s VAL 11 N 6.65 4.74 0.12 0.00 0.11 -1.26 -5.04 120.40 125.71 2dan s VAL 11 Ca 0.51 0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.78 2dan s VAL 11 Cb -0.04 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 2dan s VAL 11 CO 0.00 -0.73 -0.25 0.00 -3.33 0.00 0.00 175.10 170.80 2dan s ALA 12 N 3.05 2.45 1.00 1.54 0.00 -1.26 -5.15 121.76 123.39 2dan s ALA 12 Ca 0.24 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2dan s ALA 12 Cb -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2dan s ALA 12 CO 0.19 0.55 0.00 -0.35 0.00 0.00 0.00 175.76 176.15 2dan n PRO 13 N 0.94 0.04 -3.64 0.00 -0.04 -1.26 -5.11 135.00 125.94 2dan n PRO 13 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 2dan n PRO 13 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.42 1.18 -0.06 0.54 -1.05 -1.26 -5.18 118.70 111.45 2dan s GLU 14 Ca 0.00 -0.57 -0.18 0.00 -0.15 0.00 0.00 54.97 54.07 2dan s GLU 14 Cb 0.00 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2dan s GLU 14 CO 0.00 -0.53 0.42 -0.98 0.95 0.00 0.00 175.26 175.12 2dan s ARG 15 N -3.40 0.71 0.00 -4.83 1.70 -1.26 -5.17 118.95 106.70 2dan s ARG 15 Ca 0.08 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 2dan s ARG 15 Cb -0.02 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.69 2dan s ARG 15 CO -0.03 -0.19 0.00 -0.35 -1.08 0.00 0.00 175.30 173.65 2dan n PRO 16 N 1.57 0.31 -3.80 3.89 -0.04 -1.26 -4.89 135.00 130.78 2dan n PRO 16 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2dan n PRO 16 Cb 0.56 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 -1.02 0.29 1.08 0.54 6.06 -1.26 -3.12 118.95 121.52 2dan s ARG 17 Ca 0.00 0.21 -0.13 0.00 -2.50 0.00 0.00 55.73 53.31 2dan s ARG 17 Cb 0.00 0.14 0.19 0.00 0.06 0.00 0.00 34.95 35.34 2dan s ARG 17 CO 0.00 -0.05 0.80 0.00 -2.50 0.00 0.00 175.30 173.56 2dan n ALA 19 N -4.54 2.33 0.00 0.00 0.00 -0.94 -3.47 120.51 113.88 2dan n ALA 19 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2dan n ALA 19 Cb 0.55 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.58 0.00 0.22 0.00 4.19 -1.26 -4.83 117.16 116.07 2dan n TYR 20 Ca 0.09 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.33 2dan n TYR 20 Cb 0.36 0.01 -0.03 0.00 0.49 0.00 0.00 39.34 40.17 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 -1.10 -6.00 -4.79 0.00 3.41 -1.23 -4.93 113.62 98.98 2dan n SER 22 Ca 0.01 -0.50 -0.23 0.00 -0.26 0.00 0.00 58.87 57.89 2dan n SER 22 Cb 0.07 -4.70 -0.05 0.00 -0.26 0.00 0.00 64.21 59.28 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 -3.30 3.52 -0.45 7.33 0.00 -1.26 -4.52 121.76 123.08 2dan s ALA 23 Ca 0.53 -1.42 -0.40 0.00 0.00 0.00 0.00 51.96 50.68 2dan s ALA 23 Cb -0.24 -1.24 -0.16 0.00 0.00 0.00 0.00 23.12 21.49 2dan s ALA 23 CO 0.67 0.30 2.18 0.39 0.00 0.00 0.00 175.76 179.30 2dan n GLU 24 N -0.99 0.45 -3.56 0.00 1.02 -1.26 0.40 120.64 116.69 2dan n GLU 24 Ca -0.08 0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 2dan n GLU 24 Cb 0.57 -1.91 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 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 6.68 3.74 0.00 0.62 0.00 -1.18 -4.46 121.76 127.15 2dan s ALA 25 Ca 1.16 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2dan s ALA 25 Cb -1.22 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2dan s ALA 25 CO 0.58 0.45 0.00 0.45 0.00 0.00 0.00 175.76 177.25 2dan n SER 26 N -0.48 3.21 -4.54 0.00 2.88 -1.26 -3.99 113.62 109.44 2dan n SER 26 Ca -0.03 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.21 2dan n SER 26 Cb 0.53 0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 64.22 2dan n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dan s LYS 27 N -1.62 2.22 0.34 -1.46 -0.14 -1.25 -5.04 119.74 112.79 2dan s LYS 27 Ca 0.00 -0.92 0.07 0.00 -1.36 0.00 0.00 55.97 53.76 2dan s LYS 27 Cb 0.00 -2.32 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 2dan s LYS 27 CO 0.00 0.55 0.38 1.03 -0.76 0.00 0.00 175.35 176.54 2dan s ARG 28 N -1.69 2.89 -0.14 1.68 0.52 -1.26 -2.02 118.95 118.92 2dan s ARG 28 Ca 0.18 -1.18 -0.33 0.00 -0.52 0.00 0.00 55.73 53.87 2dan s ARG 28 Cb -0.11 -2.63 -0.10 0.00 0.52 0.00 0.00 34.95 32.63 2dan s ARG 28 CO 0.09 0.06 1.99 0.00 0.02 0.00 0.00 175.30 177.46 2dan n SER 30 N 8.05 0.00 -0.06 0.00 2.88 -1.26 0.26 113.62 123.49 2dan n SER 30 Ca 0.26 -0.16 -0.21 0.00 -1.33 0.00 0.00 58.87 57.42 2dan n SER 30 Cb 0.32 -0.17 -0.13 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.11 0.00 -1.46 2.47 -2.01 -3.43 114.38 110.05 2dan h ARG 31 Ca 0.00 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2dan h ARG 31 Cb 0.09 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2dan h ARG 31 CO 0.00 1.09 -0.68 0.00 0.56 0.00 0.00 179.97 180.94 2dan n GLN 33 N -1.30 -0.93 -0.04 0.00 3.00 0.71 -4.78 117.38 114.05 2dan n GLN 33 Ca 0.00 0.68 0.05 0.00 -0.01 0.00 0.00 57.00 57.72 2dan n GLN 33 Cb 0.20 -4.81 0.06 0.00 0.00 0.00 0.00 30.24 25.69 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 -0.20 2.07 -4.41 1.08 5.03 -1.26 -4.75 115.26 112.82 2dan n ASN 34 Ca -0.14 -1.56 -0.24 0.00 0.87 0.00 0.00 54.58 53.52 2dan n ASN 34 Cb 0.55 -0.05 -0.10 0.00 -1.02 0.00 0.00 39.78 39.16 2dan n ASN 34 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2dan s GLU 35 N -0.86 1.78 0.08 3.52 2.56 -1.26 -4.99 118.70 119.53 2dan s GLU 35 Ca 0.14 -2.03 0.06 0.00 0.00 0.00 0.00 54.97 53.14 2dan s GLU 35 Cb 0.09 -0.91 -0.03 0.00 2.00 0.00 0.00 34.13 35.28 2dan s GLU 35 CO 0.13 -0.26 -0.17 -1.58 -0.56 0.00 0.00 175.26 172.81 2dan s TRP 36 N -3.20 1.45 -0.25 5.30 0.52 -1.26 -2.14 118.94 119.36 2dan s TRP 36 Ca 0.31 -0.44 -0.09 0.00 0.02 0.00 0.00 56.10 55.89 2dan s TRP 36 Cb 0.07 -0.81 0.10 0.00 -1.15 0.00 0.00 33.47 31.68 2dan s TRP 36 CO 0.14 0.12 0.54 0.71 0.02 0.00 0.00 176.95 178.49 2dan s TYR 37 N -1.24 -1.03 0.36 -1.98 2.02 -0.86 -2.21 117.35 112.42 2dan s TYR 37 Ca 0.02 1.90 0.05 0.00 -0.37 0.00 0.00 57.07 58.66 2dan s TYR 37 Cb -0.10 0.54 0.72 0.00 -0.40 0.00 0.00 41.96 42.72 2dan s TYR 37 CO 0.03 -0.55 1.98 0.00 -1.57 0.00 0.00 175.55 175.44 2dan h ARG 40 N 2.57 0.42 -0.44 0.00 9.65 -2.00 -3.08 114.38 121.50 2dan h ARG 40 Ca -0.37 -0.18 0.09 0.00 -1.10 0.00 0.00 59.98 58.42 2dan h ARG 40 Cb 1.24 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.71 2dan h ARG 40 CO 0.57 0.69 -0.30 1.49 2.80 0.00 0.00 179.97 185.23 2dan h GLU 41 N 0.12 -0.20 -0.39 0.20 4.81 -1.99 -1.03 114.58 116.11 2dan h GLU 41 Ca 0.05 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2dan h GLU 41 Cb 0.56 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 2dan h GLU 41 CO 0.03 -0.13 -0.08 0.00 -0.73 0.00 0.00 179.01 178.09 2dan h GLN 43 N 0.01 0.00 0.03 0.00 4.15 -1.12 -0.68 115.11 117.51 2dan h GLN 43 Ca 0.19 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.23 2dan h GLN 43 Cb 0.29 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 2dan h GLN 43 CO -0.39 0.00 -2.32 0.28 -1.93 0.00 0.00 178.83 174.47 2dan n VAL 44 N -2.52 1.56 -0.05 2.39 0.31 0.12 -3.62 118.33 116.52 2dan n VAL 44 Ca -0.02 -0.62 -0.11 0.00 -0.01 0.00 0.00 64.34 63.57 2dan n VAL 44 Cb 0.13 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 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 0.02 0.28 0.00 5.55 1.57 0.56 -2.58 116.57 121.97 2dan h LYS 45 Ca -0.53 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2dan h LYS 45 Cb 1.97 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2dan h LYS 45 CO -0.03 0.45 0.00 1.58 -0.57 0.00 0.00 179.45 180.88 2dan n HIS 46 N -4.78 0.72 -0.38 -1.35 -0.00 -0.36 -3.84 115.22 105.23 2dan n HIS 46 Ca -0.05 0.25 -0.09 0.00 0.46 0.00 0.00 57.72 58.30 2dan n HIS 46 Cb 0.18 -0.91 -0.07 0.00 -0.12 0.00 0.00 29.99 29.07 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 -1.69 -1.24 1.57 2.91 -1.52 0.84 115.95 116.82 2dan h TRP 47 Ca 0.00 0.12 0.41 0.00 1.13 0.00 0.00 58.89 60.55 2dan h TRP 47 Cb 0.48 0.86 -0.11 0.00 -0.51 0.00 0.00 29.16 29.88 2dan h TRP 47 CO 0.00 -0.39 0.82 -1.91 -1.03 0.00 0.00 178.44 175.93 2dan n GLU 48 N -5.31 -0.03 -0.07 2.65 2.13 -1.25 0.13 120.64 118.90 2dan n GLU 48 Ca 0.03 1.02 -0.16 0.00 0.66 0.00 0.00 57.16 58.71 2dan n GLU 48 Cb 0.30 -2.07 -0.14 0.00 0.27 0.00 0.00 31.44 29.80 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 -4.24 0.69 0.24 5.31 5.02 0.25 -4.45 118.16 120.98 2dan n LYS 49 Ca 0.34 0.18 -0.11 0.00 -2.02 0.00 0.00 58.31 56.70 2dan n LYS 49 Cb 1.38 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 34.71 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 0.02 -0.63 -1.08 2.13 2.76 0.53 -3.18 115.15 115.70 2dan h HIS 50 Ca -0.48 -0.01 0.35 0.00 -2.20 0.00 0.00 60.37 58.02 2dan h HIS 50 Cb 2.02 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 31.11 2dan h HIS 50 CO 0.04 -0.36 0.73 0.41 -1.30 0.00 0.00 177.93 177.45 2dan n GLY 51 N -0.03 -0.61 0.14 5.26 0.00 0.30 0.14 105.19 110.39 2dan n GLY 51 Ca -0.09 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.73 -2.85 116.57 115.17 2dan h LYS 52 Ca 0.61 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2dan h LYS 52 Cb 2.16 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.47 2dan h LYS 52 CO -0.21 0.01 -0.57 0.25 -0.57 0.00 0.00 179.45 178.36 2dan n THR 53 N -5.25 0.00 -0.79 -0.16 -2.24 0.36 -5.01 114.28 101.19 2dan n THR 53 Ca 0.00 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 2dan n THR 53 Cb 0.17 1.11 0.12 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.18 -3.95 -4.65 0.00 3.41 -1.26 -4.93 113.62 102.06 2dan n SER 55 Ca 0.01 0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 2dan n SER 55 Cb 0.62 -2.95 -0.03 0.00 -0.26 0.00 0.00 64.21 61.59 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 -2.60 1.26 0.22 5.00 0.00 -1.22 -4.95 107.32 105.03 2dan s GLY 56 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.90 2dan s GLY 56 CO 0.00 3.54 0.19 -1.55 0.00 0.00 0.00 173.10 175.28 2dan n PRO 57 N 7.80 -1.40 -0.29 2.90 -0.04 -1.26 -4.86 135.00 137.85 2dan n PRO 57 Ca 0.22 -0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2dan n PRO 57 Cb 0.42 -0.29 0.02 0.00 -0.04 0.00 0.00 33.50 33.61 2dan n PRO 57 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dan n SER 58 N -3.33 -0.51 -4.53 3.54 7.64 -1.26 -3.95 113.62 111.22 2dan n SER 58 Ca 0.03 1.30 -0.30 0.00 1.01 0.00 0.00 58.87 60.91 2dan n SER 58 Cb 0.10 -0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 2dan n SER 58 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dan n SER 59 N -5.08 1.05 -0.14 6.43 2.88 -1.26 -5.20 113.62 112.29 2dan n SER 59 Ca 0.07 -0.58 0.02 0.00 -1.33 0.00 0.00 58.87 57.05 2dan n SER 59 Cb 0.29 -1.26 0.02 0.00 -0.75 0.00 0.00 64.21 62.50 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42