#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 2.96 -0.08 1.61 1.04 -1.26 -5.11 113.70 112.86 2ely s SER 2 Ca 0.00 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 2ely s SER 2 Cb 0.00 -1.37 0.04 0.00 0.10 0.00 0.00 66.02 64.79 2ely s SER 2 CO 0.00 0.04 0.20 -0.55 0.98 0.00 0.00 173.24 173.90 2ely s SER 3 N 1.02 -0.19 0.00 7.02 0.15 -1.26 -5.09 113.70 115.35 2ely s SER 3 Ca -0.03 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2ely s SER 3 Cb -0.15 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2ely s SER 3 CO -0.05 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2ely n GLY 4 N 4.02 -0.76 3.97 9.45 0.00 -1.26 -5.18 105.19 115.43 2ely n GLY 4 Ca -0.24 0.72 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 2ely n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ely s SER 5 N 0.00 6.30 0.10 1.61 0.01 -1.26 -5.11 113.70 115.35 2ely s SER 5 Ca 0.00 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.40 2ely s SER 5 Cb 0.00 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2ely s SER 5 CO 0.00 -0.11 0.17 -0.44 0.41 0.00 0.00 173.24 173.27 2ely s SER 6 N -3.99 5.98 0.26 2.44 0.01 -1.26 -5.12 113.70 112.01 2ely s SER 6 Ca 0.35 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.72 2ely s SER 6 Cb -0.09 -1.73 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2ely s SER 6 CO 0.30 0.13 0.04 0.61 0.41 0.00 0.00 173.24 174.74 2ely n GLY 7 N 0.10 3.68 2.85 3.44 0.00 -1.26 -5.15 105.19 108.85 2ely n GLY 7 Ca -0.07 -2.28 -0.16 0.00 0.00 0.00 0.00 46.02 43.51 2ely n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ely s THR 8 N -1.81 -0.35 0.00 2.61 -4.23 -1.26 -4.98 115.64 105.62 2ely s THR 8 Ca 0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2ely s THR 8 Cb -0.00 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2ely s THR 8 CO 0.02 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2ely n GLY 9 N 5.33 0.82 3.57 3.99 0.00 -1.26 -5.03 105.19 112.61 2ely n GLY 9 Ca -0.05 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2ely n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ely s GLU 10 N -1.88 3.37 0.34 1.61 2.56 -1.26 -4.98 118.70 118.45 2ely s GLU 10 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 54.97 54.93 2ely s GLU 10 Cb 0.00 -4.09 -0.11 0.00 2.00 0.00 0.00 34.13 31.93 2ely s GLU 10 CO 0.00 -1.87 1.54 1.63 -0.56 0.00 0.00 175.26 175.99 2ely n LYS 11 N 8.70 2.69 0.01 4.30 4.76 -1.26 -4.92 118.16 132.43 2ely n LYS 11 Ca 0.09 0.95 -0.07 0.00 -2.87 0.00 0.00 58.31 56.41 2ely n LYS 11 Cb 0.49 -2.70 0.11 0.00 -1.84 0.00 0.00 35.03 31.09 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 3.78 0.53 -5.11 1.97 0.13 -1.95 -3.42 132.00 127.93 2ely h PRO 12 Ca -0.49 -0.28 -0.63 0.00 -0.87 0.00 0.00 66.00 63.73 2ely h PRO 12 Cb 1.23 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2ely h PRO 12 CO 0.71 0.86 -0.60 -0.06 -0.23 0.00 0.00 178.00 178.68 2ely s PHE 13 N -4.19 3.15 -0.03 1.56 0.08 -1.23 -5.04 117.98 112.28 2ely s PHE 13 Ca -0.07 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2ely s PHE 13 Cb 0.12 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 2ely s PHE 13 CO 0.82 -0.11 -0.06 0.15 -0.10 0.00 0.00 175.22 175.92 2ely s LYS 14 N 1.02 0.80 0.16 0.44 1.02 -1.26 -0.74 119.74 121.18 2ely s LYS 14 Ca 0.04 -0.19 -0.34 0.00 0.02 0.00 0.00 55.97 55.50 2ely s LYS 14 Cb -0.14 -0.77 -0.15 0.00 -0.52 0.00 0.00 37.83 36.25 2ely s LYS 14 CO 0.03 0.02 1.45 0.00 -0.92 0.00 0.00 175.35 175.93 2ely n VAL 16 N 2.71 0.09 -0.03 0.00 3.14 -1.26 0.06 118.33 123.03 2ely n VAL 16 Ca 0.16 -0.08 -0.05 0.00 -2.96 0.00 0.00 64.34 61.41 2ely n VAL 16 Cb 0.27 -0.01 -0.03 0.00 -1.06 0.00 0.00 33.84 33.01 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 -0.30 0.15 -0.00 1.45 -0.58 -1.26 -4.86 120.64 115.24 2ely n GLU 17 Ca 0.02 0.04 -0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2ely n GLU 17 Cb 0.07 -1.04 -0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 2.90 0.95 2.00 0.00 0.00 0.11 -4.96 105.19 106.19 2ely n GLY 19 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.07 -1.42 -3.83 1.61 4.81 -1.26 -4.42 118.16 111.58 2ely n LYS 20 Ca 0.00 -0.56 -0.24 0.00 -0.87 0.00 0.00 58.31 56.64 2ely n LYS 20 Cb 0.02 -1.01 -0.17 0.00 0.02 0.00 0.00 35.03 33.88 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 -1.85 0.57 0.20 3.14 0.00 -1.26 -3.13 107.32 104.98 2ely s GLY 21 Ca 0.26 -0.23 0.09 0.00 0.00 0.00 0.00 44.72 44.84 2ely s GLY 21 CO 0.22 1.01 -0.19 -1.36 0.00 0.00 0.00 173.10 172.78 2ely s PHE 22 N 1.84 1.94 -0.16 1.90 0.40 0.08 -5.02 117.98 118.96 2ely s PHE 22 Ca 0.04 -0.45 0.17 0.00 -0.60 0.00 0.00 56.93 56.09 2ely s PHE 22 Cb -0.12 -0.93 0.40 0.00 0.51 0.00 0.00 43.02 42.87 2ely s PHE 22 CO -0.06 0.42 1.27 0.43 0.70 0.00 0.00 175.22 177.99 2ely n SER 23 N 0.00 3.06 -3.66 1.36 7.64 -1.26 -3.58 113.62 117.18 2ely n SER 23 Ca -0.11 -3.02 -0.12 0.00 1.01 0.00 0.00 58.87 56.63 2ely n SER 23 Cb 0.58 -0.47 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 2ely n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ely s ARG 24 N -2.79 0.95 -0.11 1.43 3.03 -1.26 -5.03 118.95 115.17 2ely s ARG 24 Ca 0.36 -0.46 0.03 0.00 2.03 0.00 0.00 55.73 57.70 2ely s ARG 24 Cb 0.30 0.42 0.26 0.00 -1.03 0.00 0.00 34.95 34.90 2ely s ARG 24 CO 0.06 -0.33 1.06 -2.13 -1.13 0.00 0.00 175.30 172.83 2ely n ARG 25 N 0.33 2.00 0.00 3.89 0.63 -1.26 -3.77 116.66 118.48 2ely n ARG 25 Ca -0.18 -1.05 0.00 0.00 -0.92 0.00 0.00 57.85 55.71 2ely n ARG 25 Cb 0.61 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.89 2ely n ARG 25 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ely n SER 26 N 0.12 2.35 -0.00 6.15 7.64 -1.26 -4.51 113.62 124.11 2ely n SER 26 Ca 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.00 2ely n SER 26 Cb 0.69 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.16 2ely n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ely h ALA 27 N 0.00 1.31 0.18 -0.43 0.00 -1.98 -2.09 119.26 116.23 2ely h ALA 27 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 2ely h ALA 27 Cb 0.61 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2ely h ALA 27 CO 0.00 0.47 -1.33 1.25 0.00 0.00 0.00 179.25 179.64 2ely h LEU 28 N 0.50 0.65 -1.22 0.00 5.85 -1.87 -2.72 115.31 116.50 2ely h LEU 28 Ca 0.10 -0.67 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2ely h LEU 28 Cb 0.40 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2ely h LEU 28 CO 0.02 1.52 0.26 0.78 -0.34 0.00 0.00 178.44 180.68 2ely h ASN 29 N 0.13 0.72 -0.01 1.25 2.35 -1.74 -1.75 115.58 116.52 2ely h ASN 29 Ca -0.19 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.38 2ely h ASN 29 Cb 2.03 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 40.23 2ely h ASN 29 CO 0.24 0.62 -0.44 1.62 -1.65 0.00 0.00 177.43 177.82 2ely h VAL 30 N 0.80 1.47 -0.04 2.81 3.04 -1.45 -3.20 116.25 119.68 2ely h VAL 30 Ca 0.20 -1.99 0.01 0.00 -1.01 0.00 0.00 66.70 63.92 2ely h VAL 30 Cb 0.10 2.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.00 2ely h VAL 30 CO -0.03 0.56 0.05 -0.74 -1.01 0.00 0.00 177.57 176.41 2ely h HIS 31 N -0.26 0.00 -0.22 3.17 -0.00 -1.29 -2.05 115.15 114.50 2ely h HIS 31 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 2ely h HIS 31 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 2ely h HIS 31 CO 0.16 0.00 0.01 0.45 -0.00 0.00 0.00 177.93 178.55 2ely h HIS 32 N 0.00 0.41 -0.73 5.26 -0.00 -1.31 -2.71 115.15 116.07 2ely h HIS 32 Ca 0.02 -0.07 0.21 0.00 -0.00 0.00 0.00 60.37 60.53 2ely h HIS 32 Cb 0.12 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 2ely h HIS 32 CO 0.00 0.55 0.56 0.87 -0.00 0.00 0.00 177.93 179.91 2ely h LYS 33 N 0.16 0.00 -0.45 2.45 6.56 -1.42 0.23 116.57 124.09 2ely h LYS 33 Ca 0.06 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.56 2ely h LYS 33 Cb 0.38 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 2ely h LYS 33 CO 0.01 0.00 -0.10 -0.07 -2.06 0.00 0.00 179.45 177.23 2ely h LEU 34 N 0.00 0.79 -0.51 2.94 3.38 -1.52 -2.93 115.31 117.46 2ely h LEU 34 Ca 0.34 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2ely h LEU 34 Cb 1.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2ely h LEU 34 CO -0.00 0.92 -0.37 0.45 0.09 0.00 0.00 178.44 179.52 2ely h HIS 35 N 0.73 0.97 -3.74 1.13 3.86 -0.60 -3.35 115.15 114.15 2ely h HIS 35 Ca 0.12 -0.28 -0.67 0.00 -1.16 0.00 0.00 60.37 58.38 2ely h HIS 35 Cb 0.58 -0.21 -0.36 0.00 1.06 0.00 0.00 27.41 28.48 2ely h HIS 35 CO 0.03 1.06 -0.71 -0.08 0.86 0.00 0.00 177.93 179.09 2ely s THR 36 N -4.37 2.60 -0.46 2.45 -1.32 -1.02 -4.84 115.64 108.67 2ely s THR 36 Ca -0.10 -1.81 -0.10 0.00 -1.21 0.00 0.00 61.69 58.47 2ely s THR 36 Cb 0.12 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 2ely s THR 36 CO 0.86 -0.30 0.56 0.61 -2.21 0.00 0.00 174.62 174.14 2ely n GLY 37 N 4.46 -1.22 0.11 6.08 0.00 -1.24 -4.66 105.19 108.72 2ely n GLY 37 Ca -0.07 0.90 -0.21 0.00 0.00 0.00 0.00 46.02 46.64 2ely n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ely h GLU 38 N 1.37 0.11 -3.09 1.61 4.11 -1.69 -3.43 114.58 113.57 2ely h GLU 38 Ca 0.00 -0.19 -0.51 0.00 0.07 0.00 0.00 59.36 58.73 2ely h GLU 38 Cb 0.92 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.84 2ely h GLU 38 CO 0.20 1.09 -0.76 0.21 0.07 0.00 0.00 179.01 179.82 2ely s LYS 39 N -2.40 0.29 0.82 1.06 2.20 -1.26 -4.96 119.74 115.48 2ely s LYS 39 Ca -0.24 -0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 2ely s LYS 39 Cb 0.04 -1.64 0.20 0.00 -1.51 0.00 0.00 37.83 34.92 2ely s LYS 39 CO 0.68 -0.84 0.72 -0.35 -0.36 0.00 0.00 175.35 175.21 2ely n PRO 40 N 5.18 -2.44 -2.78 4.03 -0.04 -1.26 -4.91 135.00 132.79 2ely n PRO 40 Ca -0.06 -1.16 -0.44 0.00 -0.04 0.00 0.00 63.50 61.80 2ely n PRO 40 Cb 0.45 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2ely n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ely n SER 41 N -4.24 5.09 0.00 3.54 2.88 -1.26 -4.59 113.62 115.04 2ely n SER 41 Ca 0.10 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2ely n SER 41 Cb 0.39 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 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 4.65 2.02 3.77 0.46 0.00 -1.26 -5.14 105.19 109.68 2ely n GLY 42 Ca 0.42 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.19 2.94 0.03 1.61 0.04 -1.26 -4.99 135.00 133.18 2ely s PRO 43 Ca 0.00 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 2ely s PRO 43 Cb 0.00 -1.96 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 2ely s PRO 43 CO 0.00 -1.15 1.30 0.66 0.04 0.00 0.00 177.00 177.85 2ely h SER 44 N 0.32 -0.56 0.01 6.66 4.64 -2.01 -3.35 113.55 119.27 2ely h SER 44 Ca -0.48 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.72 2ely h SER 44 Cb 1.25 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2ely h SER 44 CO 0.55 -0.23 -0.26 0.28 -0.87 0.00 0.00 176.83 176.29 2ely h SER 45 N -0.90 0.03 0.00 4.97 0.02 -2.08 -3.57 113.55 112.02 2ely h SER 45 Ca -0.07 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.96 2ely h SER 45 Cb 0.59 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2ely h SER 45 CO 0.11 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.52