#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 -0.29 -0.29 1.61 0.15 -1.26 -5.18 113.70 108.46 2ely s SER 2 Ca 0.00 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.36 2ely s SER 2 Cb 0.00 0.39 0.12 0.00 -1.71 0.00 0.00 66.02 64.82 2ely s SER 2 CO 0.00 -0.67 0.87 -0.94 1.20 0.00 0.00 173.24 173.70 2ely s SER 3 N -2.62 -0.67 0.12 5.45 1.04 -1.26 -5.18 113.70 110.58 2ely s SER 3 Ca 0.08 1.08 -0.06 0.00 0.48 0.00 0.00 55.95 57.53 2ely s SER 3 Cb -0.01 1.27 -0.02 0.00 0.10 0.00 0.00 66.02 67.36 2ely s SER 3 CO -0.05 -0.17 0.15 -0.83 0.98 0.00 0.00 173.24 173.32 2ely s GLY 4 N 1.41 0.50 -0.04 7.32 0.00 -1.26 -5.17 107.32 110.08 2ely s GLY 4 Ca -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 2ely s GLY 4 CO -0.16 -1.04 0.11 -0.56 0.00 0.00 0.00 173.10 171.45 2ely s SER 5 N -2.95 -0.12 0.32 1.64 0.01 -1.26 -5.16 113.70 106.19 2ely s SER 5 Ca 0.14 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.52 2ely s SER 5 Cb 0.06 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.44 2ely s SER 5 CO -0.04 -0.04 0.67 -0.44 0.41 0.00 0.00 173.24 173.80 2ely s SER 6 N 0.08 6.61 -0.83 2.44 0.01 -1.26 -5.04 113.70 115.71 2ely s SER 6 Ca -0.00 1.06 -0.10 0.00 1.31 0.00 0.00 55.95 58.22 2ely s SER 6 Cb -0.01 -2.29 0.22 0.00 0.21 0.00 0.00 66.02 64.15 2ely s SER 6 CO 0.00 -0.23 0.75 -0.83 0.41 0.00 0.00 173.24 173.34 2ely s GLY 7 N -2.69 2.74 -0.18 3.44 0.00 -1.26 -4.98 107.32 104.38 2ely s GLY 7 Ca 0.50 -3.42 -0.04 0.00 0.00 0.00 0.00 44.72 41.75 2ely s GLY 7 CO 0.24 1.23 0.29 -1.59 0.00 0.00 0.00 173.10 173.28 2ely s THR 8 N -0.20 -0.46 -0.58 0.90 2.01 -1.26 -5.11 115.64 110.94 2ely s THR 8 Ca 0.20 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 2ely s THR 8 Cb -0.12 -0.62 0.07 0.00 0.01 0.00 0.00 72.50 71.84 2ely s THR 8 CO -0.08 -0.03 0.83 -0.83 -0.69 0.00 0.00 174.62 173.82 2ely s GLY 9 N 2.44 1.55 -0.21 4.40 0.00 -1.26 -4.83 107.32 109.41 2ely s GLY 9 Ca 0.05 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 42.94 2ely s GLY 9 CO -0.12 1.83 -0.27 1.18 0.00 0.00 0.00 173.10 175.72 2ely n GLU 10 N 7.02 0.45 -3.15 2.90 1.02 -1.26 -4.96 120.64 122.66 2ely n GLU 10 Ca -0.04 0.20 -0.39 0.00 -0.02 0.00 0.00 57.16 56.91 2ely n GLU 10 Cb 0.45 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 2ely n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ely s LYS 11 N -2.40 4.37 0.19 3.49 3.01 -1.26 -4.97 119.74 122.17 2ely s LYS 11 Ca -0.29 0.70 -0.04 0.00 -1.01 0.00 0.00 55.97 55.32 2ely s LYS 11 Cb 0.11 -3.46 0.13 0.00 -1.01 0.00 0.00 37.83 33.59 2ely s LYS 11 CO 0.37 0.05 1.55 -1.00 0.51 0.00 0.00 175.35 176.83 2ely h PRO 12 N 6.85 0.67 -4.99 -1.68 0.13 -1.94 -3.42 132.00 127.62 2ely h PRO 12 Ca -0.40 -0.36 -0.63 0.00 -0.87 0.00 0.00 66.00 63.74 2ely h PRO 12 Cb 1.18 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2ely h PRO 12 CO 0.76 0.97 -0.52 -0.06 -0.23 0.00 0.00 178.00 178.91 2ely s PHE 13 N -4.26 3.25 -0.04 1.56 0.08 -1.23 -5.03 117.98 112.32 2ely s PHE 13 Ca -0.08 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.10 2ely s PHE 13 Cb 0.12 -2.32 0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2ely s PHE 13 CO 0.84 -0.07 -0.03 0.15 -0.10 0.00 0.00 175.22 176.01 2ely s LYS 14 N 1.43 0.73 0.12 0.44 1.02 -1.26 0.01 119.74 122.24 2ely s LYS 14 Ca 0.07 -0.06 -0.35 0.00 0.02 0.00 0.00 55.97 55.65 2ely s LYS 14 Cb -0.15 -0.79 -0.16 0.00 -0.52 0.00 0.00 37.83 36.21 2ely s LYS 14 CO 0.08 -0.11 1.31 0.00 -0.92 0.00 0.00 175.35 175.71 2ely n VAL 16 N 2.27 0.10 -0.03 0.00 3.14 -1.26 0.35 118.33 122.90 2ely n VAL 16 Ca 0.17 -0.08 -0.03 0.00 -2.96 0.00 0.00 64.34 61.44 2ely n VAL 16 Cb 0.22 -0.11 -0.03 0.00 -1.06 0.00 0.00 33.84 32.86 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 -0.24 1.55 0.00 1.45 -0.58 -1.26 -4.86 120.64 116.70 2ely n GLU 17 Ca 0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2ely n GLU 17 Cb 0.12 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ely n GLY 19 N 2.13 1.56 1.28 0.00 0.00 0.15 -4.97 105.19 105.35 2ely n GLY 19 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2ely n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ely n LYS 20 N -1.26 -1.47 -3.51 1.61 4.81 -1.25 -4.52 118.16 112.56 2ely n LYS 20 Ca 0.00 -0.41 -0.28 0.00 -0.87 0.00 0.00 58.31 56.75 2ely n LYS 20 Cb 0.06 -0.68 -0.14 0.00 0.02 0.00 0.00 35.03 34.29 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2ely s GLY 21 N -1.77 0.48 0.31 3.14 0.00 -1.26 -3.51 107.32 104.71 2ely s GLY 21 Ca 0.19 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.84 2ely s GLY 21 CO 0.16 2.13 0.31 -1.36 0.00 0.00 0.00 173.10 174.34 2ely s PHE 22 N 1.96 3.03 -0.62 1.90 0.08 0.10 -4.97 117.98 119.47 2ely s PHE 22 Ca 0.11 -0.22 0.12 0.00 0.12 0.00 0.00 56.93 57.06 2ely s PHE 22 Cb -0.17 -1.72 -0.12 0.00 -0.57 0.00 0.00 43.02 40.44 2ely s PHE 22 CO -0.30 0.25 0.53 0.43 -0.10 0.00 0.00 175.22 176.03 2ely n SER 23 N -1.38 0.63 -3.93 1.36 7.64 -1.26 -3.48 113.62 113.20 2ely n SER 23 Ca -0.04 -0.82 -0.10 0.00 1.01 0.00 0.00 58.87 58.93 2ely n SER 23 Cb 0.59 0.96 -0.12 0.00 -1.01 0.00 0.00 64.21 64.63 2ely n SER 23 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2ely s ARG 24 N -2.11 0.21 0.08 1.43 3.52 -1.26 -4.98 118.95 115.83 2ely s ARG 24 Ca 0.05 -0.38 -0.21 0.00 -0.13 0.00 0.00 55.73 55.06 2ely s ARG 24 Cb 0.09 0.08 -0.08 0.00 -1.56 0.00 0.00 34.95 33.48 2ely s ARG 24 CO 0.49 -0.04 1.35 0.00 -0.81 0.00 0.00 175.30 176.29 2ely h ARG 25 N 5.17 -0.33 -0.74 5.12 2.47 -1.99 -2.01 114.38 122.07 2ely h ARG 25 Ca -0.29 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.58 2ely h ARG 25 Cb 1.21 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 29.47 2ely h ARG 25 CO 0.44 -0.22 -0.31 1.03 0.56 0.00 0.00 179.97 181.47 2ely h SER 26 N -0.34 -1.11 -1.28 7.04 0.87 -1.97 0.87 113.55 117.62 2ely h SER 26 Ca 0.03 0.25 0.37 0.00 -1.23 0.00 0.00 61.79 61.21 2ely h SER 26 Cb 0.42 0.60 -0.07 0.00 -0.44 0.00 0.00 62.40 62.90 2ely h SER 26 CO -0.30 -0.29 0.89 0.00 -0.53 0.00 0.00 176.83 176.60 2ely h ALA 27 N 1.30 2.98 0.00 6.23 0.00 -1.80 0.84 119.26 128.82 2ely h ALA 27 Ca 0.30 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2ely h ALA 27 Cb 0.57 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2ely h ALA 27 CO -0.79 -1.41 -1.60 -0.11 0.00 0.00 0.00 179.25 175.34 2ely n LEU 28 N -4.31 0.63 0.14 0.00 7.94 0.26 -3.65 117.00 118.00 2ely n LEU 28 Ca 0.30 0.27 0.01 0.00 -1.11 0.00 0.00 56.01 55.48 2ely n LEU 28 Cb 1.30 0.12 0.09 0.00 0.53 0.00 0.00 43.42 45.46 2ely n LEU 28 CO 0.35 0.16 0.46 0.78 -1.11 0.00 0.00 177.39 178.03 2ely h ASN 29 N 0.00 0.00 0.41 1.96 2.35 0.41 -3.03 115.58 117.67 2ely h ASN 29 Ca -0.19 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.28 2ely h ASN 29 Cb 1.57 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.96 2ely h ASN 29 CO 0.03 0.58 -1.24 1.62 -1.65 0.00 0.00 177.43 176.77 2ely h VAL 30 N 0.00 1.40 0.00 2.81 3.04 -0.24 -3.21 116.25 120.04 2ely h VAL 30 Ca -0.01 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.92 2ely h VAL 30 Cb 1.31 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.41 2ely h VAL 30 CO 0.07 0.82 0.00 -0.74 -1.01 0.00 0.00 177.57 176.71 2ely h HIS 31 N 0.16 0.00 -0.25 3.17 -0.00 -1.63 -3.00 115.15 113.60 2ely h HIS 31 Ca -0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.04 2ely h HIS 31 Cb 1.93 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.34 2ely h HIS 31 CO 0.09 0.00 -0.54 0.45 -0.00 0.00 0.00 177.93 177.92 2ely h HIS 32 N 0.00 0.92 0.00 5.26 -0.00 -1.53 -2.81 115.15 116.99 2ely h HIS 32 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 2ely h HIS 32 Cb 0.54 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2ely h HIS 32 CO 0.00 1.11 0.00 1.63 -0.00 0.00 0.00 177.93 180.67 2ely n LYS 33 N -3.99 0.14 0.09 2.45 4.01 -1.13 -1.27 118.16 118.45 2ely n LYS 33 Ca -0.04 0.62 -0.18 0.00 -0.51 0.00 0.00 58.31 58.21 2ely n LYS 33 Cb 0.62 -1.95 -0.14 0.00 -0.51 0.00 0.00 35.03 33.04 2ely n LYS 33 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2ely h LEU 34 N 0.00 0.46 0.16 -0.35 3.38 -1.64 -3.39 115.31 113.93 2ely h LEU 34 Ca 0.00 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2ely h LEU 34 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2ely h LEU 34 CO 0.00 1.47 -0.08 0.45 0.09 0.00 0.00 178.44 180.37 2ely h HIS 35 N 0.08 -0.20 -2.24 1.13 3.86 -1.25 -3.43 115.15 113.10 2ely h HIS 35 Ca -0.22 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.42 2ely h HIS 35 Cb 2.02 0.07 0.02 0.00 1.06 0.00 0.00 27.41 30.58 2ely h HIS 35 CO 0.07 -0.12 1.15 -2.37 0.86 0.00 0.00 177.93 177.52 2ely n THR 36 N -2.84 0.62 -2.92 2.45 5.66 -1.14 -4.94 114.28 111.17 2ely n THR 36 Ca -0.03 -0.11 -0.41 0.00 -3.05 0.00 0.00 64.05 60.45 2ely n THR 36 Cb 0.09 -2.10 -0.04 0.00 -1.55 0.00 0.00 70.33 66.73 2ely n THR 36 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ely s GLY 37 N 3.98 2.47 -0.41 1.09 0.00 -1.26 -4.89 107.32 108.31 2ely s GLY 37 Ca 0.89 0.17 -0.40 0.00 0.00 0.00 0.00 44.72 45.39 2ely s GLY 37 CO 0.45 1.47 2.12 1.18 0.00 0.00 0.00 173.10 178.32 2ely n GLU 38 N 4.37 0.61 -3.74 2.90 4.71 -1.26 -4.91 120.64 123.33 2ely n GLU 38 Ca 0.02 0.17 -0.13 0.00 -0.01 0.00 0.00 57.16 57.22 2ely n GLU 38 Cb 0.50 -2.01 -0.10 0.00 -1.01 0.00 0.00 31.44 28.81 2ely n GLU 38 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2ely s LYS 39 N 5.83 0.43 0.00 3.49 -0.14 -1.26 -5.02 119.74 123.07 2ely s LYS 39 Ca 1.13 0.56 0.14 0.00 -1.36 0.00 0.00 55.97 56.44 2ely s LYS 39 Cb -1.15 0.19 0.68 0.00 -1.68 0.00 0.00 37.83 35.86 2ely s LYS 39 CO 0.58 -0.07 1.43 -0.35 -0.76 0.00 0.00 175.35 176.18 2ely n PRO 40 N 3.04 0.11 -0.29 -1.68 -0.04 -1.26 -3.77 135.00 131.11 2ely n PRO 40 Ca -0.14 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 2ely n PRO 40 Cb 0.57 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2ely n PRO 40 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ely h SER 41 N 0.00 -1.46 0.00 3.54 4.64 -1.96 -3.41 113.55 114.91 2ely h SER 41 Ca 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2ely h SER 41 Cb 0.19 0.71 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2ely h SER 41 CO 0.00 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.27 2ely n GLY 42 N -1.42 0.08 3.67 -0.77 0.00 -1.25 -5.01 105.19 100.49 2ely n GLY 42 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 4.22 -0.22 1.61 0.04 -1.26 -4.97 135.00 134.42 2ely s PRO 43 Ca 0.00 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2ely s PRO 43 Cb 0.00 -3.82 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 2ely s PRO 43 CO 0.00 -0.75 1.28 -1.12 0.04 0.00 0.00 177.00 176.45 2ely s SER 44 N 2.63 6.84 -1.49 6.66 0.01 -1.26 -3.34 113.70 123.75 2ely s SER 44 Ca 0.67 1.50 -0.12 0.00 1.31 0.00 0.00 55.95 59.30 2ely s SER 44 Cb -0.30 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.46 2ely s SER 44 CO 0.25 -0.89 1.03 -1.20 0.41 0.00 0.00 173.24 172.85 2ely n SER 45 N 7.01 -5.15 0.00 2.44 7.64 -1.26 -5.11 113.62 119.19 2ely n SER 45 Ca 0.14 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2ely n SER 45 Cb 0.46 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 2ely n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64