#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 4.42 0.13 1.61 1.04 -1.26 -5.02 113.70 114.62 2ely s SER 2 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2ely s SER 2 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.24 2ely s SER 2 CO 0.00 0.20 0.00 -0.24 0.98 0.00 0.00 173.24 174.18 2ely n SER 3 N 0.90 0.15 0.00 7.02 2.88 -1.26 -5.16 113.62 118.15 2ely n SER 3 Ca -0.14 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2ely n SER 3 Cb 0.52 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2ely n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ely n GLY 4 N 2.12 1.95 2.26 0.46 0.00 -1.26 -5.03 105.19 105.68 2ely n GLY 4 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2ely n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ely n SER 5 N 0.00 5.97 -4.48 1.61 3.41 -1.26 -4.98 113.62 113.89 2ely n SER 5 Ca 0.00 -3.77 -0.43 0.00 -0.26 0.00 0.00 58.87 54.41 2ely n SER 5 Cb 0.00 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.28 2ely n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ely s SER 6 N -2.84 6.28 0.00 4.04 1.04 -1.26 -4.47 113.70 116.50 2ely s SER 6 Ca 0.55 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2ely s SER 6 Cb 0.44 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 64.21 2ely s SER 6 CO -0.05 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2ely n GLY 7 N 5.14 -1.39 3.77 7.32 0.00 -1.26 -5.14 105.19 113.62 2ely n GLY 7 Ca -0.03 0.52 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 2ely n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ely s THR 8 N 0.00 3.76 0.72 2.61 -1.32 -1.26 -5.04 115.64 115.11 2ely s THR 8 Ca 0.00 1.62 -0.11 0.00 -1.21 0.00 0.00 61.69 61.98 2ely s THR 8 Cb 0.00 -3.97 0.02 0.00 -1.51 0.00 0.00 72.50 67.04 2ely s THR 8 CO 0.00 0.27 1.08 -0.83 -2.21 0.00 0.00 174.62 172.93 2ely s GLY 9 N -1.21 1.64 0.07 6.08 0.00 -1.26 -5.09 107.32 107.54 2ely s GLY 9 Ca 0.48 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.02 2ely s GLY 9 CO 0.34 0.17 -0.07 -0.54 0.00 0.00 0.00 173.10 172.99 2ely s GLU 10 N -5.22 0.66 -0.02 2.90 0.41 -1.26 -5.15 118.70 111.02 2ely s GLU 10 Ca 0.58 -1.01 -0.18 0.00 -0.41 0.00 0.00 54.97 53.95 2ely s GLU 10 Cb -0.12 -0.24 -0.05 0.00 -1.78 0.00 0.00 34.13 31.93 2ely s GLU 10 CO 0.53 0.02 0.51 0.15 -0.49 0.00 0.00 175.26 175.98 2ely s LYS 11 N -2.59 4.20 0.34 1.61 -0.14 -1.26 -4.98 119.74 116.92 2ely s LYS 11 Ca -0.00 0.58 0.13 0.00 -1.36 0.00 0.00 55.97 55.32 2ely s LYS 11 Cb -0.03 -3.32 0.61 0.00 -1.68 0.00 0.00 37.83 33.42 2ely s LYS 11 CO -0.02 0.45 1.75 -1.00 -0.76 0.00 0.00 175.35 175.76 2ely h PRO 12 N 5.47 0.00 -6.22 -1.68 0.13 -1.92 -3.44 132.00 124.34 2ely h PRO 12 Ca -0.47 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 2ely h PRO 12 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2ely h PRO 12 CO 0.68 0.45 -0.66 -0.06 -0.23 0.00 0.00 178.00 178.18 2ely s PHE 13 N -3.89 3.01 -0.22 1.56 0.08 -1.14 -5.04 117.98 112.34 2ely s PHE 13 Ca -0.02 0.03 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 2ely s PHE 13 Cb 0.13 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.01 2ely s PHE 13 CO 0.73 0.44 0.56 0.15 -0.10 0.00 0.00 175.22 177.00 2ely s LYS 14 N -1.66 0.62 0.07 0.44 1.02 -1.26 -1.68 119.74 117.30 2ely s LYS 14 Ca 0.20 0.86 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 2ely s LYS 14 Cb -0.11 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 2ely s LYS 14 CO 0.11 -0.10 1.90 0.00 -0.92 0.00 0.00 175.35 176.33 2ely n VAL 16 N 5.19 0.18 -0.07 0.00 3.14 -1.26 0.22 118.33 125.73 2ely n VAL 16 Ca 0.19 0.05 -0.18 0.00 -2.96 0.00 0.00 64.34 61.44 2ely n VAL 16 Cb 0.40 -0.71 -0.13 0.00 -1.06 0.00 0.00 33.84 32.33 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 -1.13 0.69 0.00 1.45 -0.58 -1.26 -4.77 120.64 115.04 2ely n GLU 17 Ca 0.13 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 2ely n GLU 17 Cb 0.11 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 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 2.58 1.51 1.58 0.00 0.00 0.60 -4.97 105.19 106.49 2ely n GLY 19 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.20 -1.10 -3.80 1.61 4.81 -1.25 -4.45 118.16 112.79 2ely n LYS 20 Ca 0.00 -0.43 -0.23 0.00 -0.87 0.00 0.00 58.31 56.78 2ely n LYS 20 Cb 0.00 -0.79 -0.17 0.00 0.02 0.00 0.00 35.03 34.08 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 -1.67 0.48 0.12 3.14 0.00 -1.26 -3.29 107.32 104.84 2ely s GLY 21 Ca 0.20 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.84 2ely s GLY 21 CO 0.17 1.09 -0.13 -1.36 0.00 0.00 0.00 173.10 172.86 2ely s PHE 22 N 1.90 1.34 -0.60 1.90 0.08 -0.68 -5.00 117.98 116.92 2ely s PHE 22 Ca 0.04 -0.58 0.22 0.00 0.12 0.00 0.00 56.93 56.72 2ely s PHE 22 Cb -0.12 -0.70 -0.20 0.00 -0.57 0.00 0.00 43.02 41.43 2ely s PHE 22 CO -0.05 0.12 0.79 0.45 -0.10 0.00 0.00 175.22 176.43 2ely n SER 23 N 0.48 0.58 -4.11 1.36 2.88 -1.26 -2.91 113.62 110.65 2ely n SER 23 Ca -0.15 -0.49 -0.17 0.00 -1.33 0.00 0.00 58.87 56.72 2ely n SER 23 Cb 0.57 1.28 -0.13 0.00 -0.75 0.00 0.00 64.21 65.19 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 -3.21 0.75 0.07 -1.46 3.52 -1.26 -4.91 118.95 112.46 2ely s ARG 24 Ca 0.02 -0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 54.60 2ely s ARG 24 Cb 0.15 -0.70 -0.13 0.00 -1.56 0.00 0.00 34.95 32.71 2ely s ARG 24 CO 0.87 0.16 1.44 -0.09 -0.81 0.00 0.00 175.30 176.87 2ely h ARG 25 N 4.81 -0.69 -0.60 5.12 2.43 -2.00 -2.54 114.38 120.90 2ely h ARG 25 Ca -0.37 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 58.97 2ely h ARG 25 Cb 1.19 0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 30.78 2ely h ARG 25 CO 0.43 -0.46 -0.13 1.03 -1.51 0.00 0.00 179.97 179.33 2ely h SER 26 N -0.72 -0.52 -1.14 -3.80 0.87 -1.97 0.41 113.55 106.69 2ely h SER 26 Ca -0.03 0.18 0.32 0.00 -1.23 0.00 0.00 61.79 61.03 2ely h SER 26 Cb 0.66 0.36 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 2ely h SER 26 CO -0.13 -0.19 0.79 0.00 -0.53 0.00 0.00 176.83 176.77 2ely h ALA 27 N 1.60 2.83 0.11 6.23 0.00 -1.90 0.33 119.26 128.46 2ely h ALA 27 Ca 0.29 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.87 2ely h ALA 27 Cb 0.46 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ely h ALA 27 CO -0.61 -1.20 -1.77 1.25 0.00 0.00 0.00 179.25 176.92 2ely h LEU 28 N 0.12 0.35 -1.25 0.00 5.85 0.09 -3.27 115.31 117.21 2ely h LEU 28 Ca 0.58 -0.64 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2ely h LEU 28 Cb 2.03 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 2ely h LEU 28 CO -0.11 1.56 -0.16 0.78 -0.34 0.00 0.00 178.44 180.17 2ely h ASN 29 N 0.06 0.30 -0.27 1.25 2.35 0.17 -2.85 115.58 116.60 2ely h ASN 29 Ca -0.33 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.22 2ely h ASN 29 Cb 2.03 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 40.32 2ely h ASN 29 CO 0.12 0.49 -0.30 1.62 -1.65 0.00 0.00 177.43 177.72 2ely h VAL 30 N 0.29 1.31 0.00 2.81 3.04 -0.63 -2.97 116.25 120.10 2ely h VAL 30 Ca 0.06 -1.47 -0.00 0.00 -1.01 0.00 0.00 66.70 64.27 2ely h VAL 30 Cb 0.47 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2ely h VAL 30 CO 0.03 0.47 -0.02 -0.74 -1.01 0.00 0.00 177.57 176.30 2ely h HIS 31 N 0.40 0.00 -0.64 3.17 -0.00 -1.56 -2.19 115.15 114.34 2ely h HIS 31 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2ely h HIS 31 Cb 0.87 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.24 2ely h HIS 31 CO 0.08 0.02 0.41 0.45 -0.00 0.00 0.00 177.93 178.88 2ely h HIS 32 N 0.00 0.77 -1.51 5.26 -0.00 -1.33 -2.03 115.15 116.31 2ely h HIS 32 Ca -0.00 0.02 0.46 0.00 -0.00 0.00 0.00 60.37 60.85 2ely h HIS 32 Cb 0.04 -0.26 -0.09 0.00 -0.00 0.00 0.00 27.41 27.10 2ely h HIS 32 CO 0.00 0.46 1.04 0.87 -0.00 0.00 0.00 177.93 180.30 2ely h LYS 33 N 0.82 0.06 -0.68 2.45 6.56 -1.48 0.97 116.57 125.26 2ely h LYS 33 Ca 0.25 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.80 2ely h LYS 33 Cb -0.04 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.58 2ely h LYS 33 CO -0.08 0.04 0.30 -0.07 -2.06 0.00 0.00 179.45 177.58 2ely h LEU 34 N 0.06 0.91 0.48 2.94 3.38 -1.53 -3.23 115.31 118.32 2ely h LEU 34 Ca 0.80 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.59 2ely h LEU 34 Cb 2.87 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 43.39 2ely h LEU 34 CO -0.19 0.81 -0.23 0.45 0.09 0.00 0.00 178.44 179.37 2ely h HIS 35 N 0.95 -0.60 -3.18 1.13 3.86 0.84 -3.42 115.15 114.73 2ely h HIS 35 Ca 0.23 -0.01 -0.58 0.00 -1.16 0.00 0.00 60.37 58.84 2ely h HIS 35 Cb 0.16 0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.76 2ely h HIS 35 CO 0.01 -0.31 0.64 -0.08 0.86 0.00 0.00 177.93 179.05 2ely s THR 36 N -4.02 4.76 -0.02 2.45 -1.32 -0.92 -5.03 115.64 111.52 2ely s THR 36 Ca -0.12 1.85 0.01 0.00 -1.21 0.00 0.00 61.69 62.22 2ely s THR 36 Cb 0.01 -4.23 0.01 0.00 -1.51 0.00 0.00 72.50 66.78 2ely s THR 36 CO 0.37 -0.11 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.80 2ely s GLY 37 N 1.23 0.34 0.28 6.08 0.00 -1.26 -4.66 107.32 109.33 2ely s GLY 37 Ca 0.41 -0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 2ely s GLY 37 CO 0.08 0.21 1.08 -2.21 0.00 0.00 0.00 173.10 172.26 2ely n GLU 38 N 3.61 1.48 -3.57 2.90 4.07 -1.26 -4.93 120.64 122.94 2ely n GLU 38 Ca -0.21 0.52 -0.38 0.00 -0.06 0.00 0.00 57.16 57.03 2ely n GLU 38 Cb 0.54 -1.95 -0.05 0.00 -0.06 0.00 0.00 31.44 29.92 2ely n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ely s LYS 39 N -1.44 3.47 0.52 5.31 3.01 -1.26 -5.07 119.74 124.28 2ely s LYS 39 Ca 0.60 -3.26 -0.20 0.00 -1.01 0.00 0.00 55.97 52.09 2ely s LYS 39 Cb -0.69 -4.08 -0.06 0.00 -1.01 0.00 0.00 37.83 31.98 2ely s LYS 39 CO 0.59 -1.26 1.14 -1.25 0.51 0.00 0.00 175.35 175.08 2ely s PRO 40 N -1.32 3.45 -0.22 -1.68 0.04 -1.26 -4.90 135.00 129.10 2ely s PRO 40 Ca 0.28 1.65 -0.33 0.00 0.04 0.00 0.00 61.00 62.64 2ely s PRO 40 Cb -0.08 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 2ely s PRO 40 CO -0.11 -0.78 2.09 0.45 0.04 0.00 0.00 177.00 178.69 2ely n SER 41 N -1.11 2.92 0.00 6.66 2.88 -1.26 -4.92 113.62 118.78 2ely n SER 41 Ca 0.11 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 2ely n SER 41 Cb 0.50 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2ely n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ely n GLY 42 N 5.58 1.29 0.08 0.46 0.00 -1.26 -4.81 105.19 106.54 2ely n GLY 42 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 2ely n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ely h PRO 43 N 0.00 -0.08 -5.95 1.61 0.13 -2.05 -3.46 132.00 122.20 2ely h PRO 43 Ca 0.00 0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 2ely h PRO 43 Cb 0.00 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 30.89 2ely h PRO 43 CO 0.00 0.38 -0.63 -1.13 -0.23 0.00 0.00 178.00 176.39 2ely n SER 44 N -4.90 -1.09 -4.57 1.44 3.41 -1.26 -4.70 113.62 101.95 2ely n SER 44 Ca -0.08 -0.86 -0.31 0.00 -0.26 0.00 0.00 58.87 57.35 2ely n SER 44 Cb 0.25 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.05 2ely n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ely s SER 45 N -2.68 5.44 0.00 4.04 0.15 -1.26 -5.21 113.70 114.18 2ely s SER 45 Ca 0.53 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2ely s SER 45 Cb -0.31 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 2ely s SER 45 CO 0.71 -2.59 0.00 0.61 1.20 0.00 0.00 173.24 173.17