#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 4.72 -0.21 1.61 1.04 -1.26 -5.07 113.70 114.53 2dan s SER 2 Ca 0.00 -0.88 -0.08 0.00 0.48 0.00 0.00 55.95 55.47 2dan s SER 2 Cb 0.00 -0.59 -0.19 0.00 0.10 0.00 0.00 66.02 65.34 2dan s SER 2 CO 0.00 -0.51 0.01 -1.54 0.98 0.00 0.00 173.24 172.18 2dan n SER 3 N -1.32 2.00 0.00 7.02 3.41 -1.26 -5.11 113.62 118.36 2dan n SER 3 Ca -0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2dan n SER 3 Cb 0.63 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2dan n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dan n GLY 4 N 1.82 -0.31 3.49 5.00 0.00 -1.26 -5.07 105.19 108.85 2dan n GLY 4 Ca -0.41 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 2dan n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dan n SER 5 N 0.00 1.71 -0.09 1.61 7.64 -1.26 -4.79 113.62 118.44 2dan n SER 5 Ca 0.00 0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.87 2dan n SER 5 Cb 0.00 -1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 61.90 2dan n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dan n SER 6 N 11.75 1.88 0.00 6.43 2.88 -1.26 -5.02 113.62 130.28 2dan n SER 6 Ca 0.46 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 2dan n SER 6 Cb 0.27 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2dan n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dan n GLY 7 N 1.50 2.09 3.51 0.46 0.00 -1.26 -4.80 105.19 106.69 2dan n GLY 7 Ca -0.16 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2dan n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dan n LEU 8 N 0.00 -3.10 -4.08 0.99 4.77 -1.26 -4.96 117.00 109.35 2dan n LEU 8 Ca 0.00 -0.51 -0.34 0.00 -0.03 0.00 0.00 56.01 55.12 2dan n LEU 8 Cb 0.00 -2.95 -0.13 0.00 -2.33 0.00 0.00 43.42 38.02 2dan n LEU 8 CO 0.00 0.53 -0.20 -0.70 -1.33 0.00 0.00 177.39 175.69 2dan s GLU 9 N -6.22 1.89 -0.39 3.23 2.12 -1.26 -5.04 118.70 113.02 2dan s GLU 9 Ca 0.54 -1.93 0.03 0.00 0.36 0.00 0.00 54.97 53.97 2dan s GLU 9 Cb -0.24 -3.48 0.11 0.00 0.26 0.00 0.00 34.13 30.78 2dan s GLU 9 CO 0.66 -1.05 0.12 0.00 -0.54 0.00 0.00 175.26 174.46 2dan s ALA 10 N 0.91 3.03 -0.39 6.30 0.00 -1.26 -5.08 121.76 125.28 2dan s ALA 10 Ca 0.10 -2.73 -0.25 0.00 0.00 0.00 0.00 51.96 49.07 2dan s ALA 10 Cb -0.22 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2dan s ALA 10 CO -0.05 -1.79 0.90 0.54 0.00 0.00 0.00 175.76 175.36 2dan s VAL 11 N 0.61 4.59 0.06 0.00 0.11 -1.26 -5.03 120.40 119.47 2dan s VAL 11 Ca 0.12 1.03 0.04 0.00 -2.93 0.00 0.00 61.98 60.25 2dan s VAL 11 Cb -0.21 -4.33 -0.03 0.00 -1.53 0.00 0.00 36.38 30.28 2dan s VAL 11 CO -0.06 -0.58 -0.12 0.00 -3.33 0.00 0.00 175.10 171.01 2dan s ALA 12 N 3.46 1.00 1.00 1.54 0.00 -1.26 -5.16 121.76 122.34 2dan s ALA 12 Ca 0.37 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2dan s ALA 12 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2dan s ALA 12 CO 0.20 0.13 0.00 -0.35 0.00 0.00 0.00 175.76 175.74 2dan n PRO 13 N 1.46 0.34 -3.83 0.00 -0.04 -1.26 -5.11 135.00 126.56 2dan n PRO 13 Ca -0.21 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.19 2dan n PRO 13 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.97 1.63 -0.24 0.54 4.04 -1.26 -5.18 118.70 117.26 2dan s GLU 14 Ca 0.00 -0.91 -0.26 0.00 0.04 0.00 0.00 54.97 53.84 2dan s GLU 14 Cb 0.00 0.55 0.09 0.00 0.02 0.00 0.00 34.13 34.79 2dan s GLU 14 CO 0.00 -0.75 0.82 -0.98 -1.84 0.00 0.00 175.26 172.51 2dan s ARG 15 N -3.70 0.76 0.00 -4.83 1.04 -1.26 -5.15 118.95 105.82 2dan s ARG 15 Ca 0.12 0.75 0.00 0.00 -1.04 0.00 0.00 55.73 55.56 2dan s ARG 15 Cb -0.05 0.37 0.00 0.00 -2.04 0.00 0.00 34.95 33.23 2dan s ARG 15 CO 0.06 -0.12 0.00 -0.35 -0.04 0.00 0.00 175.30 174.85 2dan n PRO 16 N 2.23 0.23 -3.80 3.89 -0.04 -1.25 -4.87 135.00 131.38 2dan n PRO 16 Ca -0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 2dan n PRO 16 Cb 0.56 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.14 0.16 1.05 0.54 6.06 -1.26 -3.05 118.95 121.31 2dan s ARG 17 Ca 0.00 0.25 -0.13 0.00 -2.50 0.00 0.00 55.73 53.35 2dan s ARG 17 Cb 0.00 0.03 0.18 0.00 0.06 0.00 0.00 34.95 35.22 2dan s ARG 17 CO 0.00 -0.05 0.83 0.00 -2.50 0.00 0.00 175.30 173.58 2dan n ALA 19 N -4.45 2.34 0.00 0.00 0.00 -0.86 -3.31 120.51 114.24 2dan n ALA 19 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2dan n ALA 19 Cb 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 0.82 0.00 0.20 0.00 4.19 -1.26 -4.83 117.16 116.28 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 0.42 0.01 -0.01 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 -0.78 -6.08 -4.97 0.00 3.41 -1.21 -4.91 113.62 99.08 2dan n SER 22 Ca 0.01 -0.25 -0.21 0.00 -0.26 0.00 0.00 58.87 58.16 2dan n SER 22 Cb 0.08 -4.93 -0.01 0.00 -0.26 0.00 0.00 64.21 59.08 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 -3.16 3.95 -0.46 7.33 0.00 -1.26 -4.42 121.76 123.74 2dan s ALA 23 Ca 0.27 -1.22 -0.37 0.00 0.00 0.00 0.00 51.96 50.64 2dan s ALA 23 Cb -0.12 -1.79 -0.14 0.00 0.00 0.00 0.00 23.12 21.07 2dan s ALA 23 CO 0.33 0.13 2.23 0.39 0.00 0.00 0.00 175.76 178.84 2dan n GLU 24 N -1.53 0.65 -3.12 0.00 1.02 -1.26 0.40 120.64 116.80 2dan n GLU 24 Ca -0.06 0.16 -0.29 0.00 -0.02 0.00 0.00 57.16 56.95 2dan n GLU 24 Cb 0.57 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 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 7.27 3.52 0.00 0.62 0.00 -1.17 -4.46 121.76 127.53 2dan s ALA 25 Ca 1.15 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2dan s ALA 25 Cb -1.06 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2dan s ALA 25 CO 0.53 0.09 0.00 0.43 0.00 0.00 0.00 175.76 176.81 2dan n SER 26 N -1.22 2.35 -4.51 0.00 7.64 -1.26 -3.97 113.62 112.65 2dan n SER 26 Ca -0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 2dan n SER 26 Cb 0.54 0.11 -0.12 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 -1.53 2.44 0.42 1.43 -0.14 -1.25 -5.04 119.74 116.07 2dan s LYS 27 Ca 0.00 -0.75 0.06 0.00 -1.36 0.00 0.00 55.97 53.92 2dan s LYS 27 Cb 0.00 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 2dan s LYS 27 CO 0.00 0.60 0.58 1.03 -0.76 0.00 0.00 175.35 176.81 2dan s ARG 28 N -1.08 2.87 -0.11 1.68 0.52 -1.26 -2.42 118.95 119.16 2dan s ARG 28 Ca 0.14 -1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 53.97 2dan s ARG 28 Cb -0.11 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 2dan s ARG 28 CO 0.04 -0.25 2.05 0.00 0.02 0.00 0.00 175.30 177.15 2dan n SER 30 N 8.79 0.00 -0.09 0.00 2.88 -1.26 0.25 113.62 124.20 2dan n SER 30 Ca 0.26 -0.50 -0.23 0.00 -1.33 0.00 0.00 58.87 57.07 2dan n SER 30 Cb 0.37 -0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.01 0.62 0.00 -1.46 1.74 -1.26 -4.75 116.66 110.54 2dan n ARG 31 Ca 0.12 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2dan n ARG 31 Cb 0.06 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 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 -1.04 -2.53 -0.04 0.00 3.00 0.71 -4.86 117.38 112.61 2dan n GLN 33 Ca 0.00 0.91 0.03 0.00 -0.01 0.00 0.00 57.00 57.92 2dan n GLN 33 Cb 0.03 -5.53 0.05 0.00 0.00 0.00 0.00 30.24 24.80 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 -1.85 1.95 -4.37 1.08 3.02 -1.26 -4.78 115.26 109.05 2dan n ASN 34 Ca -0.19 -1.60 -0.19 0.00 -0.03 0.00 0.00 54.58 52.57 2dan n ASN 34 Cb 0.65 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 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 -0.73 1.55 0.09 3.52 2.56 -1.26 -5.00 118.70 119.43 2dan s GLU 35 Ca 0.09 -1.86 0.07 0.00 0.00 0.00 0.00 54.97 53.28 2dan s GLU 35 Cb 0.05 -0.57 -0.03 0.00 2.00 0.00 0.00 34.13 35.59 2dan s GLU 35 CO 0.08 -0.25 -0.20 -1.58 -0.56 0.00 0.00 175.26 172.75 2dan s TRP 36 N -3.51 1.68 -0.25 5.30 0.52 -1.26 -2.31 118.94 119.12 2dan s TRP 36 Ca 0.37 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.97 2dan s TRP 36 Cb 0.08 -0.94 0.10 0.00 -1.15 0.00 0.00 33.47 31.56 2dan s TRP 36 CO 0.15 0.16 0.55 0.71 0.02 0.00 0.00 176.95 178.54 2dan s TYR 37 N -1.11 -1.03 0.32 -1.98 2.02 -1.01 -2.03 117.35 112.52 2dan s TYR 37 Ca 0.05 1.91 -0.00 0.00 -0.37 0.00 0.00 57.07 58.66 2dan s TYR 37 Cb -0.10 0.55 0.53 0.00 -0.40 0.00 0.00 41.96 42.54 2dan s TYR 37 CO 0.03 -0.54 1.98 0.00 -1.57 0.00 0.00 175.55 175.46 2dan h ARG 40 N 2.96 0.56 -0.50 0.00 9.65 -1.99 -2.94 114.38 122.12 2dan h ARG 40 Ca -0.35 -0.06 0.10 0.00 -1.10 0.00 0.00 59.98 58.56 2dan h ARG 40 Cb 1.17 -0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 29.54 2dan h ARG 40 CO 0.63 0.45 -0.31 1.49 2.80 0.00 0.00 179.97 185.04 2dan h GLU 41 N 0.53 -0.18 -0.29 0.20 4.81 -1.99 -0.91 114.58 116.75 2dan h GLU 41 Ca 0.14 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 2dan h GLU 41 Cb 0.05 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2dan h GLU 41 CO -0.02 -0.12 -0.12 0.00 -0.73 0.00 0.00 179.01 178.02 2dan n GLN 43 N -5.29 0.12 -0.10 0.00 7.27 -0.42 -1.03 117.38 117.92 2dan n GLN 43 Ca -0.00 0.62 -0.13 0.00 0.07 0.00 0.00 57.00 57.55 2dan n GLN 43 Cb 0.21 -2.01 -0.14 0.00 2.41 0.00 0.00 30.24 30.71 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 -2.19 1.45 -0.04 1.69 0.31 0.92 -3.73 118.33 116.74 2dan n VAL 44 Ca -0.01 -0.74 -0.14 0.00 -0.01 0.00 0.00 64.34 63.44 2dan n VAL 44 Cb 0.13 -0.89 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.28 0.00 5.55 1.57 0.10 -3.04 116.57 121.03 2dan h LYS 45 Ca -0.54 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2dan h LYS 45 Cb 2.10 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2dan h LYS 45 CO -0.01 0.78 0.00 1.58 -0.57 0.00 0.00 179.45 181.23 2dan n HIS 46 N -4.56 0.19 -0.41 -1.35 -0.00 -0.20 -3.92 115.22 104.98 2dan n HIS 46 Ca -0.07 0.07 -0.10 0.00 0.46 0.00 0.00 57.72 58.07 2dan n HIS 46 Cb 0.40 -0.61 -0.09 0.00 -0.12 0.00 0.00 29.99 29.58 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 -1.82 -1.18 1.57 2.91 -1.61 0.86 115.95 116.68 2dan h TRP 47 Ca 0.00 0.13 0.40 0.00 1.13 0.00 0.00 58.89 60.55 2dan h TRP 47 Cb 0.40 0.92 -0.11 0.00 -0.51 0.00 0.00 29.16 29.87 2dan h TRP 47 CO 0.00 -0.38 0.77 -1.91 -1.03 0.00 0.00 178.44 175.89 2dan n GLU 48 N -5.28 -0.03 -0.05 2.65 2.13 -1.25 0.13 120.64 118.94 2dan n GLU 48 Ca 0.03 1.01 -0.18 0.00 0.66 0.00 0.00 57.16 58.68 2dan n GLU 48 Cb 0.28 -2.02 -0.13 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 -4.25 0.70 0.29 5.31 5.02 0.26 -4.42 118.16 121.07 2dan n LYS 49 Ca 0.33 0.21 -0.12 0.00 -2.02 0.00 0.00 58.31 56.71 2dan n LYS 49 Cb 1.32 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 34.64 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 0.03 -0.73 -1.18 2.13 2.76 0.52 -3.14 115.15 115.54 2dan h HIS 50 Ca -0.47 -0.02 0.37 0.00 -2.20 0.00 0.00 60.37 58.05 2dan h HIS 50 Cb 2.00 0.24 -0.08 0.00 1.55 0.00 0.00 27.41 31.13 2dan h HIS 50 CO 0.05 -0.46 0.81 0.41 -1.30 0.00 0.00 177.93 177.44 2dan n GLY 51 N -0.25 -0.64 0.18 5.26 0.00 0.28 0.11 105.19 110.14 2dan n GLY 51 Ca -0.10 0.51 -0.04 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 0.05 0.00 1.61 1.57 -1.72 -2.68 116.57 115.40 2dan h LYS 52 Ca 0.64 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2dan h LYS 52 Cb 2.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.61 2dan h LYS 52 CO -0.16 0.03 -1.44 0.25 -0.57 0.00 0.00 179.45 177.57 2dan n THR 53 N -5.26 0.00 -0.76 -0.16 -2.24 0.31 -5.00 114.28 101.18 2dan n THR 53 Ca 0.03 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 2dan n THR 53 Cb 0.23 0.56 0.14 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.37 -4.57 0.00 0.00 7.64 -1.26 -4.95 113.62 110.10 2dan n SER 55 Ca 0.00 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.07 2dan n SER 55 Cb 0.65 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 2dan n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dan n GLY 56 N -1.63 -1.99 0.00 0.23 0.00 -1.19 -4.16 105.19 96.45 2dan n GLY 56 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.17 -3.89 1.61 -0.04 -1.26 -4.74 135.00 126.85 2dan n PRO 57 Ca 0.00 0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 2dan n PRO 57 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dan n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dan s SER 58 N -2.65 6.34 0.45 3.54 0.15 -1.26 -5.05 113.70 115.23 2dan s SER 58 Ca 0.13 0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.78 2dan s SER 58 Cb 0.10 -1.92 -0.15 0.00 -1.71 0.00 0.00 66.02 62.34 2dan s SER 58 CO 0.23 0.00 0.02 -0.24 1.20 0.00 0.00 173.24 174.45 2dan n SER 59 N -0.76 -3.12 0.00 5.45 2.88 -1.26 -4.77 113.62 112.04 2dan n SER 59 Ca -0.07 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 2dan n SER 59 Cb 0.55 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2dan n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42