#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yth s SER 2 N 0.00 3.08 -0.29 1.61 1.04 -1.26 -4.40 113.70 113.48 2yth s SER 2 Ca 0.00 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.33 2yth s SER 2 Cb 0.00 -0.51 0.11 0.00 0.10 0.00 0.00 66.02 65.73 2yth s SER 2 CO 0.00 -0.36 0.64 -0.55 0.98 0.00 0.00 173.24 173.95 2yth s SER 3 N 1.93 -1.03 -1.19 7.02 0.15 -1.26 -5.06 113.70 114.25 2yth s SER 3 Ca 0.03 1.51 -0.16 0.00 0.70 0.00 0.00 55.95 58.04 2yth s SER 3 Cb -0.17 2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 66.10 2yth s SER 3 CO -0.17 -0.22 2.19 0.61 1.20 0.00 0.00 173.24 176.85 2yth n GLY 4 N 5.16 3.65 3.66 9.45 0.00 -1.26 -4.69 105.19 121.17 2yth n GLY 4 Ca -0.14 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 2yth n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yth s SER 5 N 3.74 -0.15 -0.91 1.61 1.04 -1.26 -5.07 113.70 112.69 2yth s SER 5 Ca 0.52 -0.81 -0.31 0.00 0.48 0.00 0.00 55.95 55.84 2yth s SER 5 Cb 0.14 0.63 -0.21 0.00 0.10 0.00 0.00 66.02 66.68 2yth s SER 5 CO -0.01 -1.19 2.53 -1.20 0.98 0.00 0.00 173.24 174.34 2yth n SER 6 N -0.40 0.31 0.00 7.02 7.64 -1.26 -3.77 113.62 123.16 2yth n SER 6 Ca -0.03 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2yth n SER 6 Cb 0.61 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2yth n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yth n GLY 7 N 6.27 0.75 3.57 0.23 0.00 -1.26 -5.03 105.19 109.71 2yth n GLY 7 Ca 0.62 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2yth n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yth s SER 8 N -0.07 6.33 0.00 1.61 1.04 -1.25 -4.59 113.70 116.78 2yth s SER 8 Ca 0.00 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.71 2yth s SER 8 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2yth s SER 8 CO 0.00 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.16 2yth n GLY 9 N 6.28 1.42 3.15 7.32 0.00 -1.26 -5.01 105.19 117.09 2yth n GLY 9 Ca 0.40 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2yth n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yth s GLU 10 N 0.00 0.68 0.02 1.61 -1.05 -1.26 -2.64 118.70 116.06 2yth s GLU 10 Ca 0.00 -0.85 0.07 0.00 -0.15 0.00 0.00 54.97 54.04 2yth s GLU 10 Cb 0.00 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.93 2yth s GLU 10 CO 0.00 -0.18 -0.21 0.15 0.95 0.00 0.00 175.26 175.97 2yth s LYS 11 N -3.12 2.05 0.05 -4.83 -0.14 -1.26 -5.05 119.74 107.44 2yth s LYS 11 Ca -0.01 -0.98 -0.19 0.00 -1.36 0.00 0.00 55.97 53.43 2yth s LYS 11 Cb 0.02 -2.13 -0.13 0.00 -1.68 0.00 0.00 37.83 33.90 2yth s LYS 11 CO -0.07 0.54 1.36 -1.00 -0.76 0.00 0.00 175.35 175.42 2yth h PRO 12 N 4.81 0.41 -6.34 -1.68 0.13 -1.97 -3.42 132.00 123.94 2yth h PRO 12 Ca -0.47 -0.22 -0.57 0.00 -0.87 0.00 0.00 66.00 63.88 2yth h PRO 12 Cb 1.15 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2yth h PRO 12 CO 0.47 0.78 0.88 -0.06 -0.23 0.00 0.00 178.00 179.83 2yth s PHE 13 N -4.32 3.02 -0.01 1.56 0.08 -1.26 -5.01 117.98 112.03 2yth s PHE 13 Ca -0.14 1.09 0.01 0.00 0.12 0.00 0.00 56.93 58.01 2yth s PHE 13 Cb 0.06 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 2yth s PHE 13 CO 0.76 -1.04 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.18 2yth s GLN 14 N 3.82 0.22 1.24 0.44 -0.21 -1.26 -2.76 119.66 121.14 2yth s GLN 14 Ca 0.48 -0.06 -0.18 0.00 0.02 0.00 0.00 55.36 55.63 2yth s GLN 14 Cb -0.13 -0.25 0.26 0.00 1.00 0.00 0.00 33.01 33.89 2yth s GLN 14 CO 0.18 0.02 0.60 0.00 -2.12 0.00 0.00 175.29 173.97 2yth n GLU 16 N -3.94 0.35 -0.04 0.00 4.71 -1.26 -3.51 120.64 116.95 2yth n GLU 16 Ca 0.06 -0.01 0.01 0.00 -0.01 0.00 0.00 57.16 57.21 2yth n GLU 16 Cb 0.53 -1.03 -0.16 0.00 -1.01 0.00 0.00 31.44 29.77 2yth n GLU 16 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2yth n GLU 17 N -1.59 0.67 0.00 3.49 1.02 -1.26 -4.55 120.64 118.42 2yth n GLU 17 Ca -0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2yth n GLU 17 Cb 0.08 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yth n GLY 19 N 0.01 0.16 1.75 0.00 0.00 -1.23 -4.89 105.19 100.99 2yth n GLY 19 Ca 0.00 0.92 -0.12 0.00 0.00 0.00 0.00 46.02 46.82 2yth n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yth n LYS 20 N -0.04 1.10 -4.93 1.61 5.02 -1.26 -4.74 118.16 114.93 2yth n LYS 20 Ca -0.07 -1.57 -0.27 0.00 -2.02 0.00 0.00 58.31 54.38 2yth n LYS 20 Cb 0.58 0.15 -0.16 0.00 -0.02 0.00 0.00 35.03 35.58 2yth n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yth s ARG 21 N -3.05 1.92 0.07 1.97 0.52 -1.26 -3.49 118.95 115.64 2yth s ARG 21 Ca 0.15 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 2yth s ARG 21 Cb -0.01 -1.67 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 2yth s ARG 21 CO 0.10 0.28 -0.05 -0.06 0.02 0.00 0.00 175.30 175.58 2yth s PHE 22 N -0.03 0.70 -1.27 -0.53 0.40 -1.11 -5.04 117.98 111.09 2yth s PHE 22 Ca -0.03 -0.88 0.24 0.00 -0.60 0.00 0.00 56.93 55.66 2yth s PHE 22 Cb -0.12 -0.44 0.27 0.00 0.51 0.00 0.00 43.02 43.25 2yth s PHE 22 CO 0.02 -0.22 1.25 -2.37 0.70 0.00 0.00 175.22 174.61 2yth n THR 23 N 0.32 0.00 -3.77 0.64 5.66 -1.26 -4.51 114.28 111.36 2yth n THR 23 Ca -0.15 -0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 60.66 2yth n THR 23 Cb 0.60 0.62 -0.09 0.00 -1.55 0.00 0.00 70.33 69.91 2yth n THR 23 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2yth s GLN 24 N -2.84 0.58 0.13 1.09 0.74 -1.26 -5.06 119.66 113.04 2yth s GLN 24 Ca 0.14 -0.04 -0.19 0.00 0.05 0.00 0.00 55.36 55.32 2yth s GLN 24 Cb 0.17 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.49 2yth s GLN 24 CO 0.70 -0.14 1.78 -2.95 -0.55 0.00 0.00 175.29 174.13 2yth h ASN 25 N 4.35 0.26 -0.65 6.67 7.08 -1.97 -2.72 115.58 128.59 2yth h ASN 25 Ca -0.29 -0.01 0.13 0.00 -3.08 0.00 0.00 56.30 53.06 2yth h ASN 25 Cb 1.18 -0.06 -0.10 0.00 -2.08 0.00 0.00 38.32 37.26 2yth h ASN 25 CO 0.37 0.19 0.13 0.28 -2.08 0.00 0.00 177.43 176.33 2yth h SER 26 N 0.31 -0.02 -0.84 6.14 0.02 -1.99 0.26 113.55 117.43 2yth h SER 26 Ca 0.09 0.13 0.22 0.00 -0.84 0.00 0.00 61.79 61.38 2yth h SER 26 Cb -0.03 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 2yth h SER 26 CO -0.02 -0.02 0.58 0.45 -1.14 0.00 0.00 176.83 176.68 2yth h HIS 27 N 0.25 0.24 0.00 3.45 3.86 -1.91 -1.74 115.15 119.31 2yth h HIS 27 Ca 0.35 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 2yth h HIS 27 Cb 0.56 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 2yth h HIS 27 CO -0.27 0.06 -0.08 1.25 0.86 0.00 0.00 177.93 179.76 2yth h LEU 28 N 0.18 0.00 -0.87 2.43 5.85 -0.52 -2.60 115.31 119.78 2yth h LEU 28 Ca 0.42 -0.67 0.23 0.00 0.84 0.00 0.00 57.88 58.69 2yth h LEU 28 Cb 1.36 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.24 2yth h LEU 28 CO -0.08 0.88 0.09 0.45 -0.34 0.00 0.00 178.44 179.45 2yth h HIS 29 N -1.00 0.09 -0.03 1.25 3.86 -0.52 0.55 115.15 119.36 2yth h HIS 29 Ca -0.02 0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 59.06 2yth h HIS 29 Cb 0.73 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2yth h HIS 29 CO 0.18 -0.29 -0.80 0.66 0.86 0.00 0.00 177.93 178.54 2yth h SER 30 N 0.11 0.33 0.50 2.45 4.64 -1.47 -3.05 113.55 117.06 2yth h SER 30 Ca 0.52 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2yth h SER 30 Cb 1.02 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2yth h SER 30 CO -0.74 1.00 -0.10 -0.74 -0.87 0.00 0.00 176.83 175.38 2yth h HIS 31 N 0.16 0.00 0.00 4.77 -0.00 0.37 -2.16 115.15 118.30 2yth h HIS 31 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2yth h HIS 31 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 2yth h HIS 31 CO 0.03 0.10 0.00 1.04 -0.00 0.00 0.00 177.93 179.10 2yth n GLN 32 N -3.44 0.10 0.17 5.26 6.02 0.36 -1.52 117.38 124.34 2yth n GLN 32 Ca -0.01 0.55 0.02 0.00 -0.01 0.00 0.00 57.00 57.54 2yth n GLN 32 Cb 0.25 -1.80 0.31 0.00 1.02 0.00 0.00 30.24 30.03 2yth n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yth h ARG 33 N 0.00 0.00 -0.09 -1.09 -0.00 -1.57 -2.67 114.38 108.96 2yth h ARG 33 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 2yth h ARG 33 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.04 2yth h ARG 33 CO 0.00 0.43 0.19 -0.39 0.00 0.00 0.00 179.97 180.21 2yth h VAL 34 N 0.00 0.20 -0.25 2.04 -1.51 -1.49 0.25 116.25 115.48 2yth h VAL 34 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2yth h VAL 34 Cb 0.77 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2yth h VAL 34 CO 0.06 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.81 2yth n HIS 35 N -3.33 0.45 0.05 5.19 8.25 -1.02 -4.60 115.22 120.21 2yth n HIS 35 Ca -0.01 -0.60 0.01 0.00 -0.26 0.00 0.00 57.72 56.86 2yth n HIS 35 Cb 0.28 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.33 2yth n HIS 35 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2yth n THR 36 N 0.04 1.78 0.00 1.59 5.66 0.87 -4.78 114.28 119.44 2yth n THR 36 Ca 0.12 0.45 0.00 0.00 -3.05 0.00 0.00 64.05 61.56 2yth n THR 36 Cb 0.49 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 2yth n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yth n GLY 37 N -1.34 0.69 3.76 1.09 0.00 -1.26 -5.07 105.19 103.06 2yth n GLY 37 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2yth n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yth s GLU 38 N -0.19 4.24 -0.23 1.61 2.12 -1.26 -5.02 118.70 119.97 2yth s GLU 38 Ca 0.00 2.37 -0.20 0.00 0.36 0.00 0.00 54.97 57.50 2yth s GLU 38 Cb 0.00 -3.05 0.06 0.00 0.26 0.00 0.00 34.13 31.40 2yth s GLU 38 CO 0.00 -0.38 0.61 -1.59 -0.54 0.00 0.00 175.26 173.36 2yth s LYS 39 N -1.39 0.70 -0.02 4.30 0.00 -1.26 -5.07 119.74 117.00 2yth s LYS 39 Ca 0.54 0.89 -0.25 0.00 0.00 0.00 0.00 55.97 57.15 2yth s LYS 39 Cb -0.43 0.31 -0.19 0.00 0.00 0.00 0.00 37.83 37.51 2yth s LYS 39 CO 0.53 -0.10 1.23 -1.00 0.00 0.00 0.00 175.35 176.01 2yth h PRO 40 N 5.48 -0.06 -5.66 1.78 0.13 -2.08 -3.42 132.00 128.16 2yth h PRO 40 Ca -0.29 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 2yth h PRO 40 Cb 1.18 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2yth h PRO 40 CO 0.13 0.40 1.57 -1.13 -0.23 0.00 0.00 178.00 178.74 2yth n SER 41 N -4.89 1.98 -2.66 1.44 3.41 -1.26 -4.69 113.62 106.95 2yth n SER 41 Ca -0.08 -0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.49 2yth n SER 41 Cb 0.25 -1.35 0.10 0.00 -0.26 0.00 0.00 64.21 62.95 2yth n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yth n GLY 42 N 6.26 -1.70 0.21 5.00 0.00 -1.26 -5.01 105.19 108.69 2yth n GLY 42 Ca 0.43 0.96 0.15 0.00 0.00 0.00 0.00 46.02 47.56 2yth n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth h PRO 43 N 2.58 0.00 -4.43 1.61 0.13 -2.00 -3.46 132.00 126.44 2yth h PRO 43 Ca -0.29 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.22 2yth h PRO 43 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2yth h PRO 43 CO -0.11 0.00 0.63 0.43 -0.23 0.00 0.00 178.00 178.73 2yth n SER 44 N -2.67 0.80 0.14 1.44 7.64 -1.26 -4.84 113.62 114.87 2yth n SER 44 Ca 0.01 0.78 -0.10 0.00 1.01 0.00 0.00 58.87 60.57 2yth n SER 44 Cb 0.26 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2yth n SER 44 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yth h SER 45 N 4.48 -0.35 0.00 6.43 0.87 -2.07 -3.56 113.55 119.35 2yth h SER 45 Ca -0.26 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2yth h SER 45 Cb 1.02 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2yth h SER 45 CO 0.75 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.77