#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ely s SER 2 N 0.00 5.98 0.16 1.61 0.01 -1.26 -5.03 113.70 115.17 2ely s SER 2 Ca 0.00 -3.43 -0.01 0.00 1.31 0.00 0.00 55.95 53.82 2ely s SER 2 Cb 0.00 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 2ely s SER 2 CO 0.00 -0.26 0.08 -0.94 0.41 0.00 0.00 173.24 172.52 2ely s SER 3 N 0.34 0.42 -0.69 2.44 1.04 -1.26 -5.09 113.70 110.90 2ely s SER 3 Ca 0.24 -1.27 -0.26 0.00 0.48 0.00 0.00 55.95 55.14 2ely s SER 3 Cb -0.11 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 2ely s SER 3 CO -0.10 -0.75 1.66 -0.83 0.98 0.00 0.00 173.24 174.21 2ely s GLY 4 N -3.11 0.46 -1.28 7.32 0.00 -1.26 -4.91 107.32 104.53 2ely s GLY 4 Ca 0.29 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 2ely s GLY 4 CO 0.06 3.15 1.70 -0.56 0.00 0.00 0.00 173.10 177.45 2ely s SER 5 N 6.57 6.84 0.43 1.64 0.01 -1.26 -4.94 113.70 122.99 2ely s SER 5 Ca 0.56 -2.45 0.07 0.00 1.31 0.00 0.00 55.95 55.44 2ely s SER 5 Cb -0.10 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2ely s SER 5 CO 0.16 -1.15 0.26 -0.94 0.41 0.00 0.00 173.24 171.98 2ely s SER 6 N 4.15 4.61 -0.25 2.44 1.04 -1.26 -5.15 113.70 119.28 2ely s SER 6 Ca 0.53 -1.02 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 2ely s SER 6 Cb 0.03 -0.38 0.14 0.00 0.10 0.00 0.00 66.02 65.92 2ely s SER 6 CO 0.07 -0.64 1.12 -0.83 0.98 0.00 0.00 173.24 173.93 2ely s GLY 7 N -4.01 -0.07 -0.03 7.32 0.00 -1.26 -5.07 107.32 104.19 2ely s GLY 7 Ca 0.41 2.67 0.06 0.00 0.00 0.00 0.00 44.72 47.86 2ely s GLY 7 CO 0.23 1.58 -0.20 -1.08 0.00 0.00 0.00 173.10 173.63 2ely s THR 8 N -0.27 1.65 0.00 0.90 -1.32 -1.26 -5.09 115.64 110.25 2ely s THR 8 Ca 0.03 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2ely s THR 8 Cb -0.03 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 2ely s THR 8 CO -0.06 0.47 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 2ely n GLY 9 N 2.86 3.71 0.14 6.08 0.00 -1.26 -4.83 105.19 111.88 2ely n GLY 9 Ca -0.17 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 2ely n GLY 9 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ely h GLU 10 N 0.00 0.31 -4.47 1.61 4.81 -1.97 -3.48 114.58 111.39 2ely h GLU 10 Ca 0.00 -0.53 -0.48 0.00 -0.13 0.00 0.00 59.36 58.22 2ely h GLU 10 Cb 0.00 0.20 0.10 0.00 0.63 0.00 0.00 28.75 29.68 2ely h GLU 10 CO 0.00 1.23 -0.58 1.63 -0.73 0.00 0.00 179.01 180.56 2ely n LYS 11 N -3.51 0.00 0.11 1.92 4.76 -1.26 -4.83 118.16 115.35 2ely n LYS 11 Ca -0.27 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.15 2ely n LYS 11 Cb 1.06 -0.75 0.22 0.00 -1.84 0.00 0.00 35.03 33.72 2ely n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2ely h PRO 12 N 0.45 0.17 -5.49 1.97 0.13 -1.93 -3.43 132.00 123.87 2ely h PRO 12 Ca -0.25 -0.09 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 2ely h PRO 12 Cb 1.08 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.10 2ely h PRO 12 CO 0.38 0.61 -0.24 -0.06 -0.23 0.00 0.00 178.00 178.46 2ely s PHE 13 N -4.00 3.42 -0.05 1.56 0.08 -1.19 -5.02 117.98 112.78 2ely s PHE 13 Ca -0.04 0.64 -0.05 0.00 0.12 0.00 0.00 56.93 57.61 2ely s PHE 13 Cb 0.13 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2ely s PHE 13 CO 0.77 0.10 0.14 0.15 -0.10 0.00 0.00 175.22 176.27 2ely s LYS 14 N 0.93 0.16 0.01 0.44 1.02 -1.26 -0.38 119.74 120.66 2ely s LYS 14 Ca 0.19 0.20 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 2ely s LYS 14 Cb -0.14 0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 37.17 2ely s LYS 14 CO 0.07 -0.02 1.53 0.00 -0.92 0.00 0.00 175.35 176.01 2ely n VAL 16 N 4.83 0.00 -0.10 0.00 3.14 -1.26 0.12 118.33 125.06 2ely n VAL 16 Ca 0.15 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.41 2ely n VAL 16 Cb 0.42 -0.43 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 2ely n VAL 16 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ely n GLU 17 N -0.85 0.92 0.00 1.45 1.02 -1.26 -4.82 120.64 117.10 2ely n GLU 17 Ca 0.14 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2ely n GLU 17 Cb 0.07 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ely n GLY 19 N 2.71 1.95 2.03 0.00 0.00 0.32 -4.98 105.19 107.22 2ely n GLY 19 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2ely n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ely n LYS 20 N -0.88 -2.66 -4.09 1.61 5.02 -1.25 -4.61 118.16 111.29 2ely n LYS 20 Ca 0.00 -0.99 -0.24 0.00 -2.02 0.00 0.00 58.31 55.06 2ely n LYS 20 Cb 0.00 -1.01 -0.17 0.00 -0.02 0.00 0.00 35.03 33.83 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ely s GLY 21 N -3.40 0.64 0.15 0.72 0.00 -1.26 -3.10 107.32 101.06 2ely s GLY 21 Ca 0.42 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.90 2ely s GLY 21 CO 0.33 0.63 -0.12 -1.36 0.00 0.00 0.00 173.10 172.57 2ely s PHE 22 N 1.32 1.40 -0.14 1.90 0.40 0.49 -4.99 117.98 118.35 2ely s PHE 22 Ca -0.04 -0.64 0.22 0.00 -0.60 0.00 0.00 56.93 55.88 2ely s PHE 22 Cb -0.14 -0.70 -0.23 0.00 0.51 0.00 0.00 43.02 42.46 2ely s PHE 22 CO -0.03 0.16 0.67 0.45 0.70 0.00 0.00 175.22 177.17 2ely n SER 23 N 0.07 0.29 -4.13 1.36 2.88 -1.26 -3.18 113.62 109.64 2ely n SER 23 Ca -0.12 0.05 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 2ely n SER 23 Cb 0.59 1.49 -0.11 0.00 -0.75 0.00 0.00 64.21 65.43 2ely n SER 23 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2ely s ARG 24 N -3.45 0.73 0.06 -1.46 3.52 -1.26 -4.91 118.95 112.18 2ely s ARG 24 Ca -0.05 -1.01 -0.28 0.00 -0.13 0.00 0.00 55.73 54.25 2ely s ARG 24 Cb 0.13 -0.44 -0.17 0.00 -1.56 0.00 0.00 34.95 32.91 2ely s ARG 24 CO 0.87 0.07 1.55 0.07 -0.81 0.00 0.00 175.30 177.05 2ely h ARG 25 N 3.90 -0.52 -0.62 5.12 0.11 -1.99 -2.72 114.38 117.67 2ely h ARG 25 Ca -0.37 0.04 0.12 0.00 0.10 0.00 0.00 59.98 59.86 2ely h ARG 25 Cb 1.19 0.12 -0.09 0.00 1.11 0.00 0.00 29.97 32.30 2ely h ARG 25 CO 0.49 -0.29 0.15 1.03 0.10 0.00 0.00 179.97 181.44 2ely h SER 26 N -0.63 0.04 -0.22 0.08 0.87 -1.98 0.48 113.55 112.18 2ely h SER 26 Ca -0.06 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2ely h SER 26 Cb 0.47 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2ely h SER 26 CO 0.09 0.02 0.20 0.00 -0.53 0.00 0.00 176.83 176.61 2ely h ALA 27 N 1.49 1.99 0.05 6.23 0.00 -1.95 -0.85 119.26 126.21 2ely h ALA 27 Ca 0.33 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.91 2ely h ALA 27 Cb 0.48 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2ely h ALA 27 CO -0.40 -0.31 -1.85 -0.11 0.00 0.00 0.00 179.25 176.58 2ely n LEU 28 N -4.08 1.52 0.13 0.00 7.94 0.86 -3.76 117.00 119.61 2ely n LEU 28 Ca 0.02 0.32 0.02 0.00 -1.11 0.00 0.00 56.01 55.26 2ely n LEU 28 Cb 0.34 -0.30 0.36 0.00 0.53 0.00 0.00 43.42 44.35 2ely n LEU 28 CO 0.31 0.57 0.83 0.78 -1.11 0.00 0.00 177.39 178.77 2ely h ASN 29 N 0.03 0.20 -0.27 1.96 2.35 0.84 -2.21 115.58 118.48 2ely h ASN 29 Ca -0.35 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.16 2ely h ASN 29 Cb 2.03 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 40.35 2ely h ASN 29 CO 0.08 0.41 -0.59 1.62 -1.65 0.00 0.00 177.43 177.31 2ely h VAL 30 N 0.19 1.27 0.00 2.81 3.04 -1.35 -2.99 116.25 119.22 2ely h VAL 30 Ca 0.03 -1.77 -0.00 0.00 -1.01 0.00 0.00 66.70 63.95 2ely h VAL 30 Cb 0.47 1.68 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2ely h VAL 30 CO 0.03 0.58 -0.02 -0.74 -1.01 0.00 0.00 177.57 176.41 2ely h HIS 31 N 0.66 0.00 -0.76 3.17 -0.00 -1.58 -3.00 115.15 113.62 2ely h HIS 31 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 2ely h HIS 31 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 2ely h HIS 31 CO 0.08 0.02 0.29 0.45 -0.00 0.00 0.00 177.93 178.77 2ely h HIS 32 N 0.00 1.17 0.00 5.26 -0.00 -1.25 -1.81 115.15 118.52 2ely h HIS 32 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2ely h HIS 32 Cb 0.57 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2ely h HIS 32 CO 0.00 0.89 0.13 0.87 -0.00 0.00 0.00 177.93 179.83 2ely h LYS 33 N 1.11 0.00 0.00 2.45 6.56 -1.61 0.33 116.57 125.42 2ely h LYS 33 Ca 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 2ely h LYS 33 Cb 0.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2ely h LYS 33 CO -0.02 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 178.65 2ely n LEU 34 N -2.85 0.00 -0.07 2.94 4.77 -0.68 -3.66 117.00 117.45 2ely n LEU 34 Ca -0.02 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 2ely n LEU 34 Cb 0.19 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2ely n LEU 34 CO 0.16 -0.02 -0.99 1.41 -1.33 0.00 0.00 177.39 176.61 2ely n HIS 35 N -1.18 0.00 -1.20 -1.77 8.25 0.11 -5.04 115.22 114.40 2ely n HIS 35 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 2ely n HIS 35 Cb 0.17 -0.54 0.01 0.00 1.12 0.00 0.00 29.99 30.75 2ely n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ely n THR 36 N -3.37 0.11 0.00 1.59 -2.24 -1.11 -4.97 114.28 104.28 2ely n THR 36 Ca -0.28 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2ely n THR 36 Cb 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2ely n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ely n GLY 37 N 2.35 1.53 3.76 3.38 0.00 -1.26 -5.02 105.19 109.93 2ely n GLY 37 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2ely n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ely s GLU 38 N 0.12 2.78 -0.03 1.61 8.01 -1.26 -5.05 118.70 124.87 2ely s GLU 38 Ca 0.00 -0.83 -0.32 0.00 0.01 0.00 0.00 54.97 53.83 2ely s GLU 38 Cb 0.00 -2.62 -0.10 0.00 -4.31 0.00 0.00 34.13 27.10 2ely s GLU 38 CO 0.00 0.52 1.94 1.17 0.01 0.00 0.00 175.26 178.90 2ely n LYS 39 N 0.08 2.53 0.14 1.61 3.00 -1.26 -4.87 118.16 119.39 2ely n LYS 39 Ca -0.09 0.92 -0.01 0.00 -0.00 0.00 0.00 58.31 59.14 2ely n LYS 39 Cb 0.53 -2.85 0.24 0.00 0.00 0.00 0.00 35.03 32.95 2ely n LYS 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2ely h PRO 40 N 10.11 0.09 -4.52 1.64 0.13 -2.00 -3.41 132.00 134.04 2ely h PRO 40 Ca -0.49 -0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 63.87 2ely h PRO 40 Cb 1.26 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.18 2ely h PRO 40 CO 0.95 0.55 -0.21 -1.12 -0.23 0.00 0.00 178.00 177.93 2ely s SER 41 N -6.89 6.17 0.25 1.44 0.01 -1.26 -4.97 113.70 108.46 2ely s SER 41 Ca -0.03 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2ely s SER 41 Cb 0.13 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2ely s SER 41 CO 0.76 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2ely n GLY 42 N 5.19 -2.12 3.68 3.44 0.00 -1.26 -4.76 105.19 109.35 2ely n GLY 42 Ca -0.10 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2ely n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ely s PRO 43 N -2.39 4.24 1.01 1.61 0.04 -1.26 -4.74 135.00 133.51 2ely s PRO 43 Ca 0.00 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 2ely s PRO 43 Cb 0.00 -3.71 0.20 0.00 0.04 0.00 0.00 34.50 31.03 2ely s PRO 43 CO 0.00 -0.68 1.09 0.45 0.04 0.00 0.00 177.00 177.90 2ely s SER 44 N 2.33 2.22 0.32 6.66 0.15 -1.26 -5.03 113.70 119.09 2ely s SER 44 Ca 0.66 1.80 -0.18 0.00 0.70 0.00 0.00 55.95 58.94 2ely s SER 44 Cb -0.31 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.65 2ely s SER 44 CO 0.26 -3.48 0.85 -0.94 1.20 0.00 0.00 173.24 171.13 2ely s SER 45 N -2.73 -0.02 0.00 5.45 1.04 -1.26 -5.05 113.70 111.13 2ely s SER 45 Ca 0.67 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2ely s SER 45 Cb -0.23 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2ely s SER 45 CO 0.61 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.96