#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 0.17 -0.73 1.61 0.15 -1.26 -5.11 113.70 108.53 2dan s SER 2 Ca 0.00 0.57 -0.25 0.00 0.70 0.00 0.00 55.95 56.97 2dan s SER 2 Cb 0.00 0.61 0.05 0.00 -1.71 0.00 0.00 66.02 64.96 2dan s SER 2 CO 0.00 -0.22 1.16 -0.55 1.20 0.00 0.00 173.24 174.84 2dan s SER 3 N 2.06 6.19 0.00 5.45 0.15 -1.26 -4.79 113.70 121.50 2dan s SER 3 Ca -0.02 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2dan s SER 3 Cb -0.11 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dan s SER 3 CO -0.09 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.31 2dan n GLY 4 N 5.43 0.64 3.82 9.45 0.00 -1.26 -5.04 105.19 118.22 2dan n GLY 4 Ca 0.02 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.00 -0.22 -0.02 1.61 0.01 -1.26 -5.18 113.70 104.64 2dan s SER 5 Ca 0.00 -0.68 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 2dan s SER 5 Cb 0.00 0.71 0.01 0.00 0.21 0.00 0.00 66.02 66.95 2dan s SER 5 CO 0.00 -1.33 0.05 -0.55 0.41 0.00 0.00 173.24 171.82 2dan s SER 6 N -2.94 -0.05 -0.98 2.44 0.15 -1.26 -5.07 113.70 105.99 2dan s SER 6 Ca 0.13 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 2dan s SER 6 Cb -0.05 0.10 0.32 0.00 -1.71 0.00 0.00 66.02 64.67 2dan s SER 6 CO 0.07 -0.03 1.59 0.61 1.20 0.00 0.00 173.24 176.68 2dan n GLY 7 N 3.14 5.75 3.31 9.45 0.00 -1.26 -4.96 105.19 120.62 2dan n GLY 7 Ca -0.13 -2.64 -0.44 0.00 0.00 0.00 0.00 46.02 42.81 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 -3.72 5.78 -0.43 0.99 1.43 -1.26 -5.02 118.68 116.45 2dan s LEU 8 Ca 0.38 -1.63 0.01 0.00 -1.03 0.00 0.00 54.13 51.86 2dan s LEU 8 Cb 0.16 -2.14 0.12 0.00 0.03 0.00 0.00 46.19 44.36 2dan s LEU 8 CO -0.06 -0.72 0.18 -1.83 0.23 0.00 0.00 176.35 174.15 2dan s GLU 9 N 1.55 1.85 -0.62 1.70 1.03 -1.26 -5.06 118.70 117.88 2dan s GLU 9 Ca 0.04 -2.10 -0.27 0.00 0.03 0.00 0.00 54.97 52.67 2dan s GLU 9 Cb -0.27 -3.39 0.00 0.00 -0.80 0.00 0.00 34.13 29.68 2dan s GLU 9 CO 0.03 -1.04 1.55 0.00 -1.33 0.00 0.00 175.26 174.47 2dan s ALA 10 N 0.59 2.57 -0.24 -0.84 0.00 -1.26 -4.97 121.76 117.61 2dan s ALA 10 Ca 0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2dan s ALA 10 Cb -0.22 -4.22 0.02 0.00 0.00 0.00 0.00 23.12 18.71 2dan s ALA 10 CO -0.05 -3.37 -0.06 0.54 0.00 0.00 0.00 175.76 172.82 2dan s VAL 11 N 7.07 2.94 0.14 0.00 0.11 -1.26 -5.11 120.40 124.30 2dan s VAL 11 Ca 0.53 -0.91 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 2dan s VAL 11 Cb -0.11 -2.45 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2dan s VAL 11 CO 0.21 0.26 -0.07 0.00 -3.33 0.00 0.00 175.10 172.17 2dan s ALA 12 N 1.36 3.02 1.16 1.54 0.00 -1.26 -5.13 121.76 122.45 2dan s ALA 12 Ca 0.02 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 2dan s ALA 12 Cb -0.16 -0.88 0.27 0.00 0.00 0.00 0.00 23.12 22.35 2dan s ALA 12 CO -0.05 0.55 1.11 -1.25 0.00 0.00 0.00 175.76 176.12 2dan s PRO 13 N -2.59 -0.91 0.11 0.00 0.04 -1.26 -5.07 135.00 125.32 2dan s PRO 13 Ca 0.24 0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.42 2dan s PRO 13 Cb -0.10 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2dan s PRO 13 CO 0.16 -3.52 -0.19 -2.00 0.04 0.00 0.00 177.00 171.48 2dan s GLU 14 N -5.31 1.80 -0.11 4.56 2.12 -1.26 -5.14 118.70 115.36 2dan s GLU 14 Ca 0.70 -1.16 -0.23 0.00 0.36 0.00 0.00 54.97 54.64 2dan s GLU 14 Cb -0.12 -2.11 0.05 0.00 0.26 0.00 0.00 34.13 32.22 2dan s GLU 14 CO 0.56 0.49 0.55 -0.98 -0.54 0.00 0.00 175.26 175.34 2dan s ARG 15 N -2.03 0.81 0.00 4.30 1.04 -1.26 -5.18 118.95 116.63 2dan s ARG 15 Ca 0.17 0.40 0.00 0.00 -1.04 0.00 0.00 55.73 55.26 2dan s ARG 15 Cb -0.11 0.38 0.00 0.00 -2.04 0.00 0.00 34.95 33.19 2dan s ARG 15 CO 0.09 -0.19 0.00 -0.35 -0.04 0.00 0.00 175.30 174.81 2dan n PRO 16 N 1.80 0.32 -3.69 3.89 -0.04 -1.26 -4.94 135.00 131.08 2dan n PRO 16 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2dan n PRO 16 Cb 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.01 0.54 0.89 0.54 6.06 -1.26 -3.72 118.95 120.99 2dan s ARG 17 Ca 0.00 0.85 -0.13 0.00 -2.50 0.00 0.00 55.73 53.94 2dan s ARG 17 Cb 0.00 0.14 0.03 0.00 0.06 0.00 0.00 34.95 35.18 2dan s ARG 17 CO 0.00 -0.12 0.53 0.00 -2.50 0.00 0.00 175.30 173.21 2dan n ALA 19 N -3.35 2.37 0.00 0.00 0.00 -0.94 -2.92 120.51 115.66 2dan n ALA 19 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2dan n ALA 19 Cb 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 1.17 0.00 0.19 0.00 4.19 -1.26 -4.83 117.16 116.62 2dan n TYR 20 Ca 0.16 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.39 2dan n TYR 20 Cb 0.52 0.01 -0.02 0.00 0.49 0.00 0.00 39.34 40.34 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 -1.03 -5.32 -4.74 0.00 7.64 -1.15 -4.92 113.62 104.10 2dan n SER 22 Ca 0.01 -0.53 -0.24 0.00 1.01 0.00 0.00 58.87 59.12 2dan n SER 22 Cb 0.06 -4.85 -0.06 0.00 -1.01 0.00 0.00 64.21 58.35 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 3.39 -0.53 -0.43 0.00 -1.26 -4.53 121.76 115.09 2dan s ALA 23 Ca 0.44 -1.45 -0.38 0.00 0.00 0.00 0.00 51.96 50.57 2dan s ALA 23 Cb -0.20 -1.10 -0.16 0.00 0.00 0.00 0.00 23.12 21.66 2dan s ALA 23 CO 0.70 0.33 2.27 0.39 0.00 0.00 0.00 175.76 179.44 2dan n GLU 24 N -0.81 0.42 -3.06 0.00 1.02 -1.26 0.15 120.64 117.10 2dan n GLU 24 Ca -0.08 0.10 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 2dan n GLU 24 Cb 0.57 -1.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 7.30 3.46 0.00 0.62 0.00 -1.24 -4.51 121.76 127.39 2dan s ALA 25 Ca 1.18 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2dan s ALA 25 Cb -1.17 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2dan s ALA 25 CO 0.55 0.10 0.00 0.43 0.00 0.00 0.00 175.76 176.85 2dan n SER 26 N -1.12 3.27 -4.43 0.00 7.64 -1.25 -4.37 113.62 113.35 2dan n SER 26 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2dan n SER 26 Cb 0.54 0.11 -0.14 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 -1.76 2.39 0.43 1.43 -0.14 -1.25 -5.04 119.74 115.80 2dan s LYS 27 Ca 0.00 -0.76 0.04 0.00 -1.36 0.00 0.00 55.97 53.89 2dan s LYS 27 Cb 0.00 -2.29 0.01 0.00 -1.68 0.00 0.00 37.83 33.87 2dan s LYS 27 CO 0.00 0.61 0.61 1.03 -0.76 0.00 0.00 175.35 176.83 2dan s ARG 28 N -0.71 2.90 -0.12 1.68 0.52 -1.26 -2.49 118.95 119.47 2dan s ARG 28 Ca 0.11 -0.91 -0.32 0.00 -0.52 0.00 0.00 55.73 54.09 2dan s ARG 28 Cb -0.10 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.59 2dan s ARG 28 CO 0.00 -0.27 2.01 0.00 0.02 0.00 0.00 175.30 177.07 2dan n SER 30 N 8.29 0.00 -0.09 0.00 7.64 -1.26 0.25 113.62 128.45 2dan n SER 30 Ca 0.26 -0.57 -0.23 0.00 1.01 0.00 0.00 58.87 59.34 2dan n SER 30 Cb 0.34 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.00 0.62 0.00 1.43 1.74 -1.26 -4.74 116.66 113.45 2dan n ARG 31 Ca 0.13 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 2dan n ARG 31 Cb 0.06 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 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 -1.15 -1.63 0.00 0.00 3.00 0.70 -4.83 117.38 113.47 2dan n GLN 33 Ca 0.00 1.06 0.06 0.00 -0.01 0.00 0.00 57.00 58.11 2dan n GLN 33 Cb 0.01 -5.64 0.05 0.00 0.00 0.00 0.00 30.24 24.66 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 -1.80 1.93 -4.43 1.08 3.02 -1.26 -4.79 115.26 109.02 2dan n ASN 34 Ca -0.23 -1.47 -0.21 0.00 -0.03 0.00 0.00 54.58 52.64 2dan n ASN 34 Cb 0.68 0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.03 1.58 0.12 3.52 2.56 -1.26 -5.01 118.70 119.18 2dan s GLU 35 Ca 0.13 -1.84 0.09 0.00 0.00 0.00 0.00 54.97 53.35 2dan s GLU 35 Cb 0.10 -0.93 -0.04 0.00 2.00 0.00 0.00 34.13 35.26 2dan s GLU 35 CO 0.16 -0.10 -0.21 -1.58 -0.56 0.00 0.00 175.26 172.97 2dan s TRP 36 N -3.22 1.87 -0.24 5.30 0.52 -1.26 -1.99 118.94 119.92 2dan s TRP 36 Ca 0.33 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.92 2dan s TRP 36 Cb 0.07 -1.00 0.09 0.00 -1.15 0.00 0.00 33.47 31.48 2dan s TRP 36 CO 0.13 0.25 0.55 0.71 0.02 0.00 0.00 176.95 178.61 2dan s TYR 37 N -1.31 -0.97 0.27 -1.98 2.02 -1.04 -2.22 117.35 112.12 2dan s TYR 37 Ca 0.09 1.85 -0.04 0.00 -0.37 0.00 0.00 57.07 58.61 2dan s TYR 37 Cb -0.09 0.52 0.35 0.00 -0.40 0.00 0.00 41.96 42.33 2dan s TYR 37 CO 0.05 -0.51 1.89 0.00 -1.57 0.00 0.00 175.55 175.40 2dan h ARG 40 N 2.85 0.62 -0.38 0.00 9.65 -1.99 -2.97 114.38 122.15 2dan h ARG 40 Ca -0.36 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 58.52 2dan h ARG 40 Cb 1.18 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.55 2dan h ARG 40 CO 0.63 0.50 -0.33 1.49 2.80 0.00 0.00 179.97 185.06 2dan h GLU 41 N 0.58 -0.26 -0.38 0.20 4.81 -1.99 -1.36 114.58 116.18 2dan h GLU 41 Ca 0.15 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 2dan h GLU 41 Cb 0.06 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 2dan h GLU 41 CO -0.02 -0.17 -0.16 0.00 -0.73 0.00 0.00 179.01 177.92 2dan n GLN 43 N -5.35 0.09 -0.11 0.00 7.27 -0.57 -1.24 117.38 117.47 2dan n GLN 43 Ca 0.02 0.57 -0.13 0.00 0.07 0.00 0.00 57.00 57.53 2dan n GLN 43 Cb 0.26 -1.88 -0.13 0.00 2.41 0.00 0.00 30.24 30.91 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 1.32 -0.01 1.69 0.31 0.17 -3.82 118.33 116.00 2dan n VAL 44 Ca -0.01 -0.64 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 2dan n VAL 44 Cb 0.10 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 31.99 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 0.05 0.00 5.55 1.57 0.10 -2.88 116.57 120.97 2dan h LYS 45 Ca -0.52 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2dan h LYS 45 Cb 1.97 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 2dan h LYS 45 CO -0.03 0.43 0.00 1.58 -0.57 0.00 0.00 179.45 180.85 2dan n HIS 46 N -4.86 0.09 -0.41 -1.35 -0.00 -0.46 -3.93 115.22 104.29 2dan n HIS 46 Ca -0.08 0.03 -0.09 0.00 0.46 0.00 0.00 57.72 58.04 2dan n HIS 46 Cb 0.22 -0.55 -0.07 0.00 -0.12 0.00 0.00 29.99 29.47 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 -1.57 -0.34 -0.36 1.57 -0.00 -1.09 0.93 117.44 116.58 2dan n TRP 47 Ca 0.05 1.22 0.31 0.00 -0.00 0.00 0.00 57.50 59.09 2dan n TRP 47 Cb 0.26 -0.63 0.54 0.00 -0.00 0.00 0.00 31.31 31.47 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 -5.27 -0.03 -0.03 5.87 2.13 -1.25 0.12 120.64 122.18 2dan n GLU 48 Ca 0.04 1.05 -0.19 0.00 0.66 0.00 0.00 57.16 58.71 2dan n GLU 48 Cb 0.28 -2.03 -0.14 0.00 0.27 0.00 0.00 31.44 29.83 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 -4.46 0.72 0.25 5.31 5.02 0.26 -4.33 118.16 120.94 2dan n LYS 49 Ca 0.33 0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.74 2dan n LYS 49 Cb 1.23 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.63 -1.33 2.13 2.76 0.47 -3.15 115.15 115.45 2dan h HIS 50 Ca -0.45 -0.01 0.41 0.00 -2.20 0.00 0.00 60.37 58.11 2dan h HIS 50 Cb 2.01 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 31.10 2dan h HIS 50 CO 0.06 -0.39 0.92 0.41 -1.30 0.00 0.00 177.93 177.63 2dan n GLY 51 N -0.14 -0.71 0.21 5.26 0.00 0.33 0.93 105.19 111.07 2dan n GLY 51 Ca -0.08 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 0.13 0.00 1.61 1.57 -1.71 -2.61 116.57 115.56 2dan h LYS 52 Ca 0.70 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.47 2dan h LYS 52 Cb 2.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.88 2dan h LYS 52 CO -0.14 0.08 -1.49 0.25 -0.57 0.00 0.00 179.45 177.58 2dan n THR 53 N -5.24 0.00 -0.81 -0.16 -2.24 0.26 -5.00 114.28 101.09 2dan n THR 53 Ca 0.07 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 2dan n THR 53 Cb 0.30 0.45 0.11 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.33 -3.20 0.00 0.00 3.41 -1.26 -4.96 113.62 107.95 2dan n SER 55 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2dan n SER 55 Cb 0.65 -3.71 0.00 0.00 -0.26 0.00 0.00 64.21 60.89 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 -1.28 0.00 5.00 0.00 -1.20 -4.15 105.19 101.89 2dan n GLY 56 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.01 2dan n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dan n PRO 57 N 0.00 0.33 -1.79 1.61 -0.04 -1.26 -3.26 135.00 130.59 2dan n PRO 57 Ca 0.00 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 2dan n PRO 57 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2dan n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dan n SER 58 N -1.16 7.15 -4.10 3.54 2.88 -1.26 -4.96 113.62 115.71 2dan n SER 58 Ca 0.09 -3.81 -0.20 0.00 -1.33 0.00 0.00 58.87 53.63 2dan n SER 58 Cb 0.09 -0.93 -0.09 0.00 -0.75 0.00 0.00 64.21 62.52 2dan n SER 58 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dan s SER 59 N -1.73 1.78 0.00 -3.46 0.15 -1.20 -4.88 113.70 104.36 2dan s SER 59 Ca 0.56 -1.54 0.04 0.00 0.70 0.00 0.00 55.95 55.71 2dan s SER 59 Cb 0.46 0.33 0.23 0.00 -1.71 0.00 0.00 66.02 65.32 2dan s SER 59 CO -0.23 -0.85 0.71 0.61 1.20 0.00 0.00 173.24 174.68