#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 5.03 0.35 1.61 0.01 -1.26 -4.96 113.70 114.48 2dan s SER 2 Ca 0.00 -2.47 0.15 0.00 1.31 0.00 0.00 55.95 54.94 2dan s SER 2 Cb 0.00 -1.78 1.14 0.00 0.21 0.00 0.00 66.02 65.60 2dan s SER 2 CO 0.00 -0.41 1.59 0.28 0.41 0.00 0.00 173.24 175.11 2dan h SER 3 N 7.41 0.16 -7.04 2.44 0.02 -2.14 -3.44 113.55 110.97 2dan h SER 3 Ca -0.07 0.25 -0.60 0.00 -0.84 0.00 0.00 61.79 60.53 2dan h SER 3 Cb 0.99 0.30 -0.21 0.00 0.14 0.00 0.00 62.40 63.61 2dan h SER 3 CO 0.67 -0.36 -0.94 0.61 -1.14 0.00 0.00 176.83 175.67 2dan n GLY 4 N -1.32 -0.13 3.41 -3.77 0.00 -1.26 -4.93 105.19 97.19 2dan n GLY 4 Ca 0.33 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.29 3.03 -0.07 1.61 0.15 -1.26 -5.15 113.70 107.72 2dan s SER 5 Ca 0.04 -1.04 0.04 0.00 0.70 0.00 0.00 55.95 55.69 2dan s SER 5 Cb -0.03 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 2dan s SER 5 CO 0.97 -0.10 -0.20 -0.94 1.20 0.00 0.00 173.24 174.17 2dan s SER 6 N -3.41 3.46 -0.33 5.45 1.04 -1.26 -5.01 113.70 113.63 2dan s SER 6 Ca 0.26 -0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.37 2dan s SER 6 Cb -0.02 -1.05 0.66 0.00 0.10 0.00 0.00 66.02 65.71 2dan s SER 6 CO 0.11 0.24 1.72 0.61 0.98 0.00 0.00 173.24 176.90 2dan n GLY 7 N 2.99 4.13 3.19 7.32 0.00 -1.26 -4.85 105.19 116.70 2dan n GLY 7 Ca -0.18 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.09 5.68 -0.88 0.99 1.02 -1.26 -5.01 118.68 116.13 2dan s LEU 8 Ca 0.52 -2.29 -0.06 0.00 0.02 0.00 0.00 54.13 52.32 2dan s LEU 8 Cb 0.43 -1.98 0.22 0.00 0.02 0.00 0.00 46.19 44.89 2dan s LEU 8 CO 0.10 -0.57 0.79 -0.70 0.02 0.00 0.00 176.35 175.99 2dan s GLU 9 N 0.78 3.43 -0.27 1.70 2.56 -1.26 -5.02 118.70 120.62 2dan s GLU 9 Ca 0.11 -2.97 -0.02 0.00 0.00 0.00 0.00 54.97 52.10 2dan s GLU 9 Cb -0.22 -4.15 0.04 0.00 2.00 0.00 0.00 34.13 31.80 2dan s GLU 9 CO -0.03 -1.25 -0.03 0.00 -0.56 0.00 0.00 175.26 173.39 2dan s ALA 10 N -0.79 2.75 -0.36 6.30 0.00 -1.26 -5.07 121.76 123.32 2dan s ALA 10 Ca 0.24 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 2dan s ALA 10 Cb -0.11 -1.80 0.09 0.00 0.00 0.00 0.00 23.12 21.30 2dan s ALA 10 CO -0.09 -1.04 0.11 0.08 0.00 0.00 0.00 175.76 174.81 2dan s VAL 11 N 1.28 2.97 0.16 0.00 1.01 -1.26 -5.10 120.40 119.46 2dan s VAL 11 Ca -0.03 -1.91 -0.06 0.00 0.00 0.00 0.00 61.98 59.98 2dan s VAL 11 Cb -0.18 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2dan s VAL 11 CO -0.03 -0.49 0.42 0.00 0.00 0.00 0.00 175.10 175.00 2dan s ALA 12 N 1.12 3.73 1.00 5.51 0.00 -1.26 -5.10 121.76 126.76 2dan s ALA 12 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2dan s ALA 12 Cb -0.21 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2dan s ALA 12 CO -0.04 0.62 0.00 -0.35 0.00 0.00 0.00 175.76 175.99 2dan n PRO 13 N 0.13 0.24 -4.22 0.00 -0.04 -1.26 -5.10 135.00 124.75 2dan n PRO 13 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 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 -1.13 1.09 -0.08 0.54 -1.05 -1.26 -5.17 118.70 111.65 2dan s GLU 14 Ca 0.00 -1.54 -0.29 0.00 -0.15 0.00 0.00 54.97 52.99 2dan s GLU 14 Cb 0.00 -0.09 0.07 0.00 -0.44 0.00 0.00 34.13 33.66 2dan s GLU 14 CO 0.00 -0.20 0.67 -0.98 0.95 0.00 0.00 175.26 175.70 2dan s ARG 15 N -3.98 1.01 0.00 -4.83 1.04 -1.26 -5.17 118.95 105.76 2dan s ARG 15 Ca 0.26 0.33 0.00 0.00 -1.04 0.00 0.00 55.73 55.28 2dan s ARG 15 Cb 0.07 0.48 0.00 0.00 -2.04 0.00 0.00 34.95 33.45 2dan s ARG 15 CO 0.05 -0.29 0.00 -0.35 -0.04 0.00 0.00 175.30 174.66 2dan n PRO 16 N 1.16 0.27 -3.76 3.89 -0.04 -1.26 -4.89 135.00 130.38 2dan n PRO 16 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 2dan n PRO 16 Cb 0.57 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 -1.08 0.44 0.97 0.54 6.06 -1.26 -3.09 118.95 121.53 2dan s ARG 17 Ca 0.00 0.35 -0.11 0.00 -2.50 0.00 0.00 55.73 53.48 2dan s ARG 17 Cb 0.00 0.21 0.17 0.00 0.06 0.00 0.00 34.95 35.39 2dan s ARG 17 CO 0.00 -0.07 1.09 0.00 -2.50 0.00 0.00 175.30 173.82 2dan n ALA 19 N -4.37 2.42 -0.00 0.00 0.00 -1.02 -3.17 120.51 114.38 2dan n ALA 19 Ca 0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 53.44 52.78 2dan n ALA 19 Cb 0.52 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.94 0.00 0.33 0.00 4.19 -1.26 -4.80 117.16 116.55 2dan n TYR 20 Ca 0.11 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.36 2dan n TYR 20 Cb 0.43 -0.01 -0.03 0.00 0.49 0.00 0.00 39.34 40.22 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 -1.02 -6.21 -4.82 0.00 7.64 -1.19 -4.92 113.62 103.10 2dan n SER 22 Ca 0.02 -0.47 -0.24 0.00 1.01 0.00 0.00 58.87 59.19 2dan n SER 22 Cb 0.12 -4.88 -0.05 0.00 -1.01 0.00 0.00 64.21 58.39 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 -3.28 3.61 -0.47 -0.43 0.00 -1.26 -4.50 121.76 115.43 2dan s ALA 23 Ca 0.51 -1.31 -0.42 0.00 0.00 0.00 0.00 51.96 50.74 2dan s ALA 23 Cb -0.22 -1.36 -0.17 0.00 0.00 0.00 0.00 23.12 21.36 2dan s ALA 23 CO 0.63 0.37 2.16 0.39 0.00 0.00 0.00 175.76 179.31 2dan n GLU 24 N -0.79 0.25 -2.94 0.00 1.02 -1.26 0.44 120.64 117.36 2dan n GLU 24 Ca -0.08 0.07 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 2dan n GLU 24 Cb 0.56 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 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 6.34 3.46 0.00 0.62 0.00 -1.18 -4.42 121.76 126.58 2dan s ALA 25 Ca 1.18 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2dan s ALA 25 Cb -1.35 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2dan s ALA 25 CO 0.62 -0.06 0.00 0.43 0.00 0.00 0.00 175.76 176.74 2dan n SER 26 N -1.57 2.23 -4.51 0.00 7.64 -1.25 -4.18 113.62 111.99 2dan n SER 26 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.59 2dan n SER 26 Cb 0.54 0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.51 1.90 0.39 1.43 -0.14 -1.24 -5.03 119.74 115.53 2dan s LYS 27 Ca 0.00 -1.12 0.08 0.00 -1.36 0.00 0.00 55.97 53.56 2dan s LYS 27 Cb 0.00 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 2dan s LYS 27 CO 0.00 0.49 0.39 1.03 -0.76 0.00 0.00 175.35 176.50 2dan s ARG 28 N -2.13 2.67 -0.21 1.68 0.52 -1.26 -2.12 118.95 118.11 2dan s ARG 28 Ca 0.19 -1.38 -0.32 0.00 -0.52 0.00 0.00 55.73 53.69 2dan s ARG 28 Cb -0.11 -2.49 -0.09 0.00 0.52 0.00 0.00 34.95 32.78 2dan s ARG 28 CO 0.11 -0.10 2.09 0.00 0.02 0.00 0.00 175.30 177.43 2dan n SER 30 N 9.34 0.00 -0.10 0.00 3.41 -1.26 0.25 113.62 125.26 2dan n SER 30 Ca 0.31 -0.08 -0.19 0.00 -0.26 0.00 0.00 58.87 58.64 2dan n SER 30 Cb 0.33 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.15 0.55 -0.00 4.33 1.74 -1.26 -4.75 116.66 116.11 2dan n ARG 31 Ca 0.06 0.54 -0.00 0.00 -0.77 0.00 0.00 57.85 57.69 2dan n ARG 31 Cb 0.06 -1.72 -0.00 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.76 -1.89 0.00 0.00 3.00 0.69 -4.80 117.38 112.61 2dan n GLN 33 Ca -0.00 0.68 0.04 0.00 -0.01 0.00 0.00 57.00 57.71 2dan n GLN 33 Cb 0.26 -4.98 0.02 0.00 0.00 0.00 0.00 30.24 25.55 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 -0.91 1.49 -4.49 1.08 3.02 -1.26 -4.77 115.26 109.42 2dan n ASN 34 Ca -0.14 -1.24 -0.23 0.00 -0.03 0.00 0.00 54.58 52.93 2dan n ASN 34 Cb 0.62 0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.78 1.70 0.11 3.52 2.56 -1.26 -4.99 118.70 119.55 2dan s GLU 35 Ca 0.08 -1.91 0.09 0.00 0.00 0.00 0.00 54.97 53.23 2dan s GLU 35 Cb 0.06 -1.21 -0.04 0.00 2.00 0.00 0.00 34.13 34.95 2dan s GLU 35 CO 0.12 -0.05 -0.22 -1.58 -0.56 0.00 0.00 175.26 172.97 2dan s TRP 36 N -3.01 1.90 -0.23 5.30 0.52 -1.26 -2.13 118.94 120.03 2dan s TRP 36 Ca 0.33 -0.41 -0.11 0.00 0.02 0.00 0.00 56.10 55.93 2dan s TRP 36 Cb 0.07 -1.04 0.08 0.00 -1.15 0.00 0.00 33.47 31.43 2dan s TRP 36 CO 0.15 0.23 0.55 0.71 0.02 0.00 0.00 176.95 178.61 2dan s TYR 37 N -1.12 -0.92 0.25 -1.98 2.02 -0.90 -2.43 117.35 112.27 2dan s TYR 37 Ca 0.08 1.79 -0.05 0.00 -0.37 0.00 0.00 57.07 58.53 2dan s TYR 37 Cb -0.10 0.49 0.29 0.00 -0.40 0.00 0.00 41.96 42.24 2dan s TYR 37 CO 0.04 -0.48 1.85 0.00 -1.57 0.00 0.00 175.55 175.39 2dan h ARG 40 N 3.76 0.37 -0.49 0.00 9.65 -1.99 -2.57 114.38 123.11 2dan h ARG 40 Ca -0.35 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.59 2dan h ARG 40 Cb 1.18 -0.08 -0.10 0.00 -1.39 0.00 0.00 29.97 29.58 2dan h ARG 40 CO 0.53 0.24 -0.44 1.49 2.80 0.00 0.00 179.97 184.60 2dan h GLU 41 N 0.38 -0.27 -0.31 0.20 4.81 -1.99 -1.06 114.58 116.35 2dan h GLU 41 Ca 0.26 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2dan h GLU 41 Cb 0.29 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 2dan h GLU 41 CO -0.26 -0.18 -0.21 0.00 -0.73 0.00 0.00 179.01 177.62 2dan h GLN 43 N -0.18 0.00 0.06 0.00 4.15 -0.98 0.13 115.11 118.30 2dan h GLN 43 Ca 0.16 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.22 2dan h GLN 43 Cb 0.43 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 2dan h GLN 43 CO -0.42 0.00 -2.10 0.28 -1.93 0.00 0.00 178.83 174.66 2dan n VAL 44 N -2.93 1.65 0.04 2.39 0.31 0.11 -3.57 118.33 116.34 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 0.44 -1.44 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 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 0.04 -0.10 0.00 5.55 1.57 0.15 -2.66 116.57 121.12 2dan h LYS 45 Ca -0.45 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2dan h LYS 45 Cb 2.02 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2dan h LYS 45 CO 0.04 0.20 0.00 1.58 -0.57 0.00 0.00 179.45 180.70 2dan n HIS 46 N -5.00 0.26 -0.32 -1.35 -0.00 -0.20 -3.79 115.22 104.82 2dan n HIS 46 Ca -0.08 0.10 -0.08 0.00 0.46 0.00 0.00 57.72 58.12 2dan n HIS 46 Cb 0.18 -0.67 -0.08 0.00 -0.12 0.00 0.00 29.99 29.31 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 -1.74 -0.33 -0.40 1.57 -0.00 -1.00 0.11 117.44 115.64 2dan n TRP 47 Ca 0.03 0.95 0.34 0.00 -0.00 0.00 0.00 57.50 58.81 2dan n TRP 47 Cb 0.19 -0.56 0.56 0.00 -0.00 0.00 0.00 31.31 31.50 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 -4.73 -0.03 -0.05 5.87 2.13 -1.25 0.20 120.64 122.79 2dan n GLU 48 Ca 0.02 1.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.70 2dan n GLU 48 Cb 0.20 -2.01 -0.14 0.00 0.27 0.00 0.00 31.44 29.76 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 0.68 0.17 5.31 5.02 0.30 -4.39 118.16 121.01 2dan n LYS 49 Ca 0.33 0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.75 2dan n LYS 49 Cb 1.31 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.47 -1.37 2.13 2.76 0.74 -3.24 115.15 115.73 2dan h HIS 50 Ca -0.42 -0.01 0.41 0.00 -2.20 0.00 0.00 60.37 58.15 2dan h HIS 50 Cb 2.05 0.15 -0.07 0.00 1.55 0.00 0.00 27.41 31.09 2dan h HIS 50 CO 0.03 -0.28 0.97 0.41 -1.30 0.00 0.00 177.93 177.75 2dan n GLY 51 N 0.50 -0.71 0.17 5.26 0.00 0.30 0.96 105.19 111.66 2dan n GLY 51 Ca -0.06 0.53 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.08 -0.01 1.61 1.57 -1.73 -2.86 116.57 115.06 2dan h LYS 52 Ca 0.69 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 2dan h LYS 52 Cb 2.66 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.99 2dan h LYS 52 CO -0.09 -0.06 -0.46 0.25 -0.57 0.00 0.00 179.45 178.52 2dan n THR 53 N -5.28 0.00 -0.79 -0.16 -2.24 0.27 -5.01 114.28 101.07 2dan n THR 53 Ca -0.01 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 2dan n THR 53 Cb 0.20 1.17 0.12 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.44 -4.49 -4.60 0.00 2.88 -1.26 -4.90 113.62 100.82 2dan n SER 55 Ca 0.02 -0.05 -0.43 0.00 -1.33 0.00 0.00 58.87 57.08 2dan n SER 55 Cb 0.59 -3.58 -0.03 0.00 -0.75 0.00 0.00 64.21 60.44 2dan n SER 55 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dan s GLY 56 N -2.44 0.52 -0.10 0.46 0.00 -1.21 -4.91 107.32 99.64 2dan s GLY 56 Ca 0.04 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.22 2dan s GLY 56 CO 0.05 3.78 1.53 2.56 0.00 0.00 0.00 173.10 181.02 2dan s PRO 57 N 6.32 4.17 0.44 2.90 0.04 -1.26 -4.95 135.00 142.66 2dan s PRO 57 Ca 0.99 1.98 -0.23 0.00 0.04 0.00 0.00 61.00 63.79 2dan s PRO 57 Cb -0.32 -3.92 -0.11 0.00 0.04 0.00 0.00 34.50 30.19 2dan s PRO 57 CO 0.35 -0.84 0.78 -1.13 0.04 0.00 0.00 177.00 176.20 2dan n SER 58 N 7.07 0.18 -4.43 6.66 3.41 -1.26 -1.45 113.62 123.80 2dan n SER 58 Ca 0.16 0.95 -0.38 0.00 -0.26 0.00 0.00 58.87 59.34 2dan n SER 58 Cb 0.44 -1.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.07 2dan n SER 58 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dan n SER 59 N 0.76 -1.11 -0.23 4.04 7.64 -1.26 -5.32 113.62 118.14 2dan n SER 59 Ca 0.11 -1.23 0.15 0.00 1.01 0.00 0.00 58.87 58.91 2dan n SER 59 Cb 0.40 -1.76 0.74 0.00 -1.01 0.00 0.00 64.21 62.58 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64