#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h91 s GLN 10 N 0.00 4.18 -0.11 3.49 0.74 -1.26 -4.98 119.66 121.72 3h91 s GLN 10 Ca 0.00 2.46 -0.04 0.00 0.05 0.00 0.00 55.36 57.83 3h91 s GLN 10 Cb 0.00 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 3h91 s GLN 10 CO 0.00 -0.51 0.05 0.08 -0.55 0.00 0.00 175.29 174.36 3h91 s VAL 11 N -0.29 4.73 0.22 1.34 1.01 -1.26 -5.11 120.40 121.03 3h91 s VAL 11 Ca 0.59 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.56 3h91 s VAL 11 Cb -0.45 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 3h91 s VAL 11 CO 0.50 0.59 -0.12 -0.36 0.00 0.00 0.00 175.10 175.70 3h91 s PHE 12 N -0.71 1.72 -0.28 5.22 0.08 -1.26 -5.11 117.98 117.65 3h91 s PHE 12 Ca 0.12 -0.63 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 3h91 s PHE 12 Cb -0.12 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 3h91 s PHE 12 CO 0.02 0.31 0.91 0.00 -0.10 0.00 0.00 175.22 176.36 3h91 s ALA 13 N -3.02 3.59 -0.08 5.36 0.00 -1.26 -5.03 121.76 121.31 3h91 s ALA 13 Ca 0.24 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 3h91 s ALA 13 Cb 0.01 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3h91 s ALA 13 CO 0.07 -1.15 0.49 0.00 0.00 0.00 0.00 175.76 175.18 3h91 s ALA 14 N 3.11 3.50 -0.01 0.00 0.00 -1.26 -0.93 121.76 126.18 3h91 s ALA 14 Ca 0.38 -0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 3h91 s ALA 14 Cb -0.14 -2.64 -0.24 0.00 0.00 0.00 0.00 23.12 20.10 3h91 s ALA 14 CO 0.10 0.09 1.06 1.49 0.00 0.00 0.00 175.76 178.50 3h91 h GLU 15 N 6.28 0.36 -1.67 0.00 4.57 -0.84 -3.45 114.58 119.83 3h91 h GLU 15 Ca -0.43 -0.41 0.26 0.00 -1.18 0.00 0.00 59.36 57.60 3h91 h GLU 15 Cb 1.19 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 29.76 3h91 h GLU 15 CO 0.73 1.09 0.74 0.00 -1.18 0.00 0.00 179.01 180.39 3h91 s ILE 17 N -2.62 5.42 -0.15 0.00 1.01 -1.26 -2.02 121.20 121.58 3h91 s ILE 17 Ca 0.12 0.20 0.17 0.00 0.00 0.00 0.00 60.65 61.14 3h91 s ILE 17 Cb 0.02 -3.46 -0.24 0.00 0.01 0.00 0.00 42.46 38.78 3h91 s ILE 17 CO -0.04 0.46 0.26 0.18 0.00 0.00 0.00 174.94 175.81 3h91 n LEU 18 N 3.31 0.25 -3.61 2.97 4.32 0.64 -4.86 117.00 120.02 3h91 n LEU 18 Ca -0.16 0.12 -0.06 0.00 -0.02 0.00 0.00 56.01 55.89 3h91 n LEU 18 Cb 0.52 0.38 -0.02 0.00 -1.62 0.00 0.00 43.42 42.69 3h91 n LEU 18 CO 0.36 0.44 0.74 -0.55 -1.22 0.00 0.00 177.39 177.16 3h91 s SER 19 N -5.62 -0.26 0.03 -1.43 0.15 -1.26 -4.97 113.70 100.35 3h91 s SER 19 Ca -0.08 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.45 3h91 s SER 19 Cb 0.07 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 3h91 s SER 19 CO 0.83 -0.69 -0.13 -0.75 1.20 0.00 0.00 173.24 173.70 3h91 s LYS 20 N -3.10 0.91 0.10 5.44 2.20 -1.26 -1.07 119.74 122.95 3h91 s LYS 20 Ca 0.09 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 3h91 s LYS 20 Cb -0.01 -0.90 -0.03 0.00 -1.51 0.00 0.00 37.83 35.38 3h91 s LYS 20 CO -0.04 0.23 0.08 -0.98 -0.36 0.00 0.00 175.35 174.27 3h91 s ARG 21 N -1.04 0.83 -0.23 4.03 1.70 -0.29 -4.99 118.95 118.96 3h91 s ARG 21 Ca 0.01 -1.25 -0.08 0.00 -0.47 0.00 0.00 55.73 53.95 3h91 s ARG 21 Cb -0.07 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3h91 s ARG 21 CO 0.01 -0.23 0.09 -0.51 -1.08 0.00 0.00 175.30 173.58 3h91 s LEU 22 N -2.96 3.70 -0.06 -1.89 1.43 -1.26 -1.05 118.68 116.58 3h91 s LEU 22 Ca 0.14 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3h91 s LEU 22 Cb 0.07 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3h91 s LEU 22 CO -0.05 0.04 -0.02 -0.60 0.23 0.00 0.00 176.35 175.95 3h91 s ARG 23 N 1.18 0.73 -1.61 1.70 3.52 -0.08 -4.84 118.95 119.54 3h91 s ARG 23 Ca 0.05 -0.00 -0.14 0.00 -0.13 0.00 0.00 55.73 55.51 3h91 s ARG 23 Cb -0.14 -0.92 0.11 0.00 -1.56 0.00 0.00 34.95 32.44 3h91 s ARG 23 CO 0.04 -0.20 0.72 1.63 -0.81 0.00 0.00 175.30 176.69 3h91 n LYS 24 N 4.62 -3.50 -0.98 5.12 4.76 -1.26 -1.11 118.16 125.81 3h91 n LYS 24 Ca -0.16 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 3h91 n LYS 24 Cb 0.50 -5.01 0.00 0.00 -1.84 0.00 0.00 35.03 28.68 3h91 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h91 n GLY 25 N -1.58 0.51 3.25 0.72 0.00 -1.26 -5.02 105.19 101.80 3h91 n GLY 25 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3h91 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h91 s LYS 26 N -0.30 1.76 0.20 1.61 1.02 -0.26 -5.11 119.74 118.65 3h91 s LYS 26 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 3h91 s LYS 26 Cb 0.00 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.50 3h91 s LYS 26 CO 0.00 0.47 0.97 -0.51 -0.92 0.00 0.00 175.35 175.36 3h91 s LEU 27 N -0.63 4.58 0.06 3.17 1.43 -1.26 -0.91 118.68 125.13 3h91 s LEU 27 Ca 0.09 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 3h91 s LEU 27 Cb -0.09 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 3h91 s LEU 27 CO -0.00 0.04 -0.07 -1.61 0.23 0.00 0.00 176.35 174.93 3h91 s GLU 28 N -0.76 0.63 -0.07 1.70 2.02 -0.22 -4.20 118.70 117.80 3h91 s GLU 28 Ca 0.44 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.52 3h91 s GLU 28 Cb -0.26 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.71 3h91 s GLU 28 CO 0.32 0.03 -0.18 0.71 0.02 0.00 0.00 175.26 176.16 3h91 s TYR 29 N -2.11 1.93 -0.23 1.61 2.02 0.52 -1.14 117.35 119.96 3h91 s TYR 29 Ca -0.03 -0.70 -0.23 0.00 -0.37 0.00 0.00 57.07 55.75 3h91 s TYR 29 Cb -0.05 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3h91 s TYR 29 CO -0.01 -0.29 0.74 -1.17 -1.57 0.00 0.00 175.55 173.25 3h91 s LEU 30 N 0.35 4.10 -0.15 -1.29 2.96 -0.24 -0.55 118.68 123.86 3h91 s LEU 30 Ca -0.12 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 3h91 s LEU 30 Cb -0.15 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3h91 s LEU 30 CO 0.05 -0.42 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.94 3h91 s VAL 31 N 2.48 3.91 -0.16 1.68 1.01 0.10 -0.26 120.40 129.16 3h91 s VAL 31 Ca 0.32 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 3h91 s VAL 31 Cb -0.16 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3h91 s VAL 31 CO 0.09 0.50 0.63 -0.75 0.00 0.00 0.00 175.10 175.57 3h91 s LYS 32 N 0.31 4.27 -0.14 2.72 2.47 -0.86 -2.09 119.74 126.43 3h91 s LYS 32 Ca -0.03 0.66 -0.09 0.00 -1.56 0.00 0.00 55.97 54.94 3h91 s LYS 32 Cb -0.14 -3.54 -0.05 0.00 -1.46 0.00 0.00 37.83 32.65 3h91 s LYS 32 CO 0.03 -0.14 0.17 -1.58 0.16 0.00 0.00 175.35 173.99 3h91 s TRP 33 N 1.56 3.53 0.21 4.03 0.52 -1.26 -0.13 118.94 127.40 3h91 s TRP 33 Ca 0.30 0.51 -0.31 0.00 0.02 0.00 0.00 56.10 56.63 3h91 s TRP 33 Cb -0.16 -2.08 -0.10 0.00 -1.15 0.00 0.00 33.47 29.98 3h91 s TRP 33 CO 0.12 0.53 1.47 0.50 0.02 0.00 0.00 176.95 179.59 3h91 s ARG 34 N -0.42 4.26 0.00 4.98 3.52 -0.10 -2.28 118.95 128.91 3h91 s ARG 34 Ca 0.14 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 3h91 s ARG 34 Cb -0.12 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3h91 s ARG 34 CO 0.03 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 3h91 n GLY 35 N 2.76 0.97 3.19 8.12 0.00 -1.26 -4.82 105.19 114.13 3h91 n GLY 35 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3h91 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h91 s TRP 36 N -3.00 1.53 0.97 1.61 0.52 -0.97 -5.14 118.94 114.46 3h91 s TRP 36 Ca 0.00 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.66 3h91 s TRP 36 Cb 0.00 -0.93 0.17 0.00 -1.15 0.00 0.00 33.47 31.56 3h91 s TRP 36 CO 0.00 0.04 1.09 -1.54 0.02 0.00 0.00 176.95 176.55 3h91 s SER 37 N -0.91 2.78 0.58 2.95 1.04 -1.26 -4.57 113.70 114.31 3h91 s SER 37 Ca 0.05 1.36 0.39 0.00 0.48 0.00 0.00 55.95 58.23 3h91 s SER 37 Cb -0.08 -2.04 2.04 0.00 0.10 0.00 0.00 66.02 66.04 3h91 s SER 37 CO 0.01 -3.06 2.18 0.77 0.98 0.00 0.00 173.24 174.13 3h91 h SER 38 N -1.84 0.00 0.12 7.02 4.64 -1.99 -1.12 113.55 120.38 3h91 h SER 38 Ca -0.53 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3h91 h SER 38 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3h91 h SER 38 CO 0.55 0.00 -0.00 0.11 -0.87 0.00 0.00 176.83 176.62 3h91 h LYS 39 N 0.00 0.00 -0.51 4.77 1.57 -2.01 -2.18 116.57 118.21 3h91 h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h91 h LYS 39 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3h91 h LYS 39 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 3h91 n HIS 40 N -3.19 0.74 -1.70 -1.35 8.25 -0.42 -4.97 115.22 112.57 3h91 n HIS 40 Ca -0.03 -0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 56.49 3h91 n HIS 40 Cb 0.10 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 3h91 n HIS 40 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3h91 n ASN 41 N 0.96 2.73 -4.09 0.41 3.02 -0.82 -4.83 115.26 112.62 3h91 n ASN 41 Ca 0.18 1.19 -0.14 0.00 -0.03 0.00 0.00 54.58 55.78 3h91 n ASN 41 Cb 0.55 -1.49 -0.11 0.00 -0.61 0.00 0.00 39.78 38.11 3h91 n ASN 41 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h91 s SER 42 N -0.35 1.05 -0.16 6.41 1.04 -0.89 -4.91 113.70 115.89 3h91 s SER 42 Ca 0.56 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 56.16 3h91 s SER 42 Cb -0.55 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.57 3h91 s SER 42 CO 0.61 -0.21 0.70 0.26 0.98 0.00 0.00 173.24 175.59 3h91 s TRP 43 N -1.59 3.43 0.04 5.02 0.52 -1.26 -0.72 118.94 124.37 3h91 s TRP 43 Ca -0.06 1.08 0.06 0.00 0.02 0.00 0.00 56.10 57.21 3h91 s TRP 43 Cb -0.08 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.35 3h91 s TRP 43 CO 0.00 -0.14 -0.18 -1.21 0.02 0.00 0.00 176.95 175.45 3h91 s GLU 44 N 1.74 1.20 0.70 4.98 0.41 0.29 -4.84 118.70 123.19 3h91 s GLU 44 Ca 0.33 -0.87 -0.15 0.00 -0.41 0.00 0.00 54.97 53.88 3h91 s GLU 44 Cb -0.16 -1.28 0.02 0.00 -1.78 0.00 0.00 34.13 30.93 3h91 s GLU 44 CO 0.12 0.32 1.15 -1.25 -0.49 0.00 0.00 175.26 175.11 3h91 s PRO 45 N -1.17 2.46 0.42 0.39 0.04 -1.26 -0.35 135.00 135.54 3h91 s PRO 45 Ca 0.05 1.52 0.15 0.00 0.04 0.00 0.00 61.00 62.77 3h91 s PRO 45 Cb -0.08 -1.90 1.04 0.00 0.04 0.00 0.00 34.50 33.60 3h91 s PRO 45 CO 0.02 -1.54 1.92 1.49 0.04 0.00 0.00 177.00 178.93 3h91 h GLU 46 N -0.21 0.42 0.00 4.56 4.81 -1.96 -0.49 114.58 121.70 3h91 h GLU 46 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3h91 h GLU 46 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3h91 h GLU 46 CO 0.52 0.27 0.00 -0.85 -0.73 0.00 0.00 179.01 178.22 3h91 n GLU 47 N -4.48 0.14 0.00 1.92 0.00 -1.26 -0.94 120.64 116.02 3h91 n GLU 47 Ca 0.14 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.93 3h91 n GLU 47 Cb 0.52 -1.85 0.22 0.00 0.00 0.00 0.00 31.44 30.32 3h91 n GLU 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3h91 n ASN 48 N -2.13 1.19 -4.38 -1.84 4.13 -0.19 -4.72 115.26 107.31 3h91 n ASN 48 Ca 0.00 -0.95 -0.45 0.00 1.68 0.00 0.00 54.58 54.86 3h91 n ASN 48 Cb 0.12 0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 3h91 n ASN 48 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3h91 s ILE 49 N -2.62 5.06 -0.04 2.41 -1.09 -0.11 -4.91 121.20 119.90 3h91 s ILE 49 Ca 0.19 -1.68 -0.14 0.00 -2.23 0.00 0.00 60.65 56.79 3h91 s ILE 49 Cb 0.18 -4.57 -0.32 0.00 -1.58 0.00 0.00 42.46 36.18 3h91 s ILE 49 CO 0.59 -1.21 0.75 -0.07 -1.23 0.00 0.00 174.94 173.78 3h91 h LEU 50 N 9.36 0.63 -9.19 2.97 3.38 -1.84 -3.44 115.31 117.18 3h91 h LEU 50 Ca -0.02 -0.92 -0.57 0.00 0.09 0.00 0.00 57.88 56.46 3h91 h LEU 50 Cb 1.05 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3h91 h LEU 50 CO 0.99 1.71 0.60 -0.62 0.09 0.00 0.00 178.44 181.20 3h91 s ASP 51 N -7.31 7.14 0.60 -0.43 -1.08 -1.26 -4.92 116.67 109.41 3h91 s ASP 51 Ca -0.15 1.41 0.40 0.00 -0.52 0.00 0.00 52.55 53.69 3h91 s ASP 51 Cb 0.04 -2.53 2.03 0.00 -1.46 0.00 0.00 42.92 41.00 3h91 s ASP 51 CO 0.86 -0.50 2.21 1.55 0.52 0.00 0.00 175.17 179.81 3h91 h PRO 52 N 7.25 0.00 0.00 4.34 0.13 -2.03 -2.42 132.00 139.27 3h91 h PRO 52 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 3h91 h PRO 52 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3h91 h PRO 52 CO 0.89 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.48 3h91 h ARG 53 N 0.00 0.00 -0.01 0.86 3.08 -1.98 -2.15 114.38 114.18 3h91 h ARG 53 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h91 h ARG 53 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3h91 h ARG 53 CO 0.00 0.18 0.00 -0.07 -1.07 0.00 0.00 179.97 179.02 3h91 h LEU 54 N 0.00 0.01 -0.30 3.04 3.38 -1.85 -0.55 115.31 119.04 3h91 h LEU 54 Ca -0.00 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 3h91 h LEU 54 Cb 0.34 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3h91 h LEU 54 CO 0.02 0.11 -0.86 -0.07 0.09 0.00 0.00 178.44 177.73 3h91 h LEU 55 N -0.09 0.28 -0.16 1.67 3.38 -1.74 -2.22 115.31 116.43 3h91 h LEU 55 Ca 0.00 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3h91 h LEU 55 Cb 0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3h91 h LEU 55 CO -0.00 1.01 -0.14 0.25 0.09 0.00 0.00 178.44 179.65 3h91 h LEU 56 N 0.12 -0.44 -0.51 1.67 5.85 -1.25 -1.10 115.31 119.65 3h91 h LEU 56 Ca -0.04 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3h91 h LEU 56 Cb 1.48 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 3h91 h LEU 56 CO 0.13 -0.18 0.13 0.00 -0.34 0.00 0.00 178.44 178.19 3h91 h ALA 57 N 0.94 0.67 -0.54 1.25 0.00 -1.11 -2.36 119.26 118.12 3h91 h ALA 57 Ca 0.10 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3h91 h ALA 57 Cb 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3h91 h ALA 57 CO -0.25 0.36 0.36 0.35 0.00 0.00 0.00 179.25 180.06 3h91 h PHE 58 N 0.71 0.50 0.00 0.00 3.57 -1.03 -2.62 116.94 118.06 3h91 h PHE 58 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3h91 h PHE 58 Cb 0.32 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3h91 h PHE 58 CO 0.02 0.27 -0.63 1.04 -2.23 0.00 0.00 178.31 176.78 3h91 n GLN 59 N -4.47 0.03 0.00 1.11 6.02 -0.45 -5.10 117.38 114.53 3h91 n GLN 59 Ca 0.07 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.22 3h91 n GLN 59 Cb 0.23 -1.51 0.86 0.00 1.02 0.00 0.00 30.24 30.84 3h91 n GLN 59 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68