#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 -0.72 -0.02 1.61 1.04 -1.26 -5.16 113.70 109.18 2ely s SER 2 Ca 0.00 1.05 -0.00 0.00 0.48 0.00 0.00 55.95 57.48 2ely s SER 2 Cb 0.00 1.63 0.03 0.00 0.10 0.00 0.00 66.02 67.78 2ely s SER 2 CO 0.00 -0.15 0.04 -0.94 0.98 0.00 0.00 173.24 173.16 2ely s SER 3 N 2.12 0.11 0.00 7.02 1.04 -1.26 -5.14 113.70 117.60 2ely s SER 3 Ca -0.06 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2ely s SER 3 Cb -0.06 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2ely s SER 3 CO -0.17 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2ely n GLY 4 N 4.24 3.50 2.66 7.32 0.00 -1.26 -5.15 105.19 116.51 2ely n GLY 4 Ca -0.27 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 2ely n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ely s SER 5 N 1.88 2.06 0.29 1.61 0.15 -1.26 -5.02 113.70 113.40 2ely s SER 5 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2ely s SER 5 Cb 0.00 -0.01 0.67 0.00 -1.71 0.00 0.00 66.02 64.97 2ely s SER 5 CO 0.00 -0.35 1.61 -1.28 1.20 0.00 0.00 173.24 174.43 2ely h SER 6 N 8.38 -0.25 0.00 5.45 0.87 -2.06 -2.83 113.55 123.11 2ely h SER 6 Ca -0.16 0.23 -0.65 0.00 -1.23 0.00 0.00 61.79 59.98 2ely h SER 6 Cb 1.14 0.37 0.01 0.00 -0.44 0.00 0.00 62.40 63.48 2ely h SER 6 CO 0.30 -0.24 2.83 0.61 -0.53 0.00 0.00 176.83 179.79 2ely n GLY 7 N -1.43 3.55 0.04 5.77 0.00 -1.26 -4.58 105.19 107.28 2ely n GLY 7 Ca 0.20 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 2ely n GLY 7 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ely h THR 8 N 4.03 0.00 -1.00 2.61 2.02 -1.96 -3.41 112.91 115.21 2ely h THR 8 Ca 0.53 -0.78 -0.70 0.00 0.77 0.00 0.00 66.41 66.23 2ely h THR 8 Cb 0.57 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.88 2ely h THR 8 CO 1.86 0.00 2.18 0.61 0.37 0.00 0.00 175.52 180.55 2ely n GLY 9 N 1.76 3.10 0.56 2.16 0.00 -1.26 -4.45 105.19 107.06 2ely n GLY 9 Ca -0.02 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 2ely n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ely n GLU 10 N 7.35 0.06 -4.06 1.61 -0.58 -1.26 -5.02 120.64 118.73 2ely n GLU 10 Ca 0.47 0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.95 2ely n GLU 10 Cb 0.44 -0.77 -0.17 0.00 -0.57 0.00 0.00 31.44 30.37 2ely n GLU 10 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ely s LYS 11 N -2.05 1.94 0.13 3.49 3.01 -1.26 -4.97 119.74 120.03 2ely s LYS 11 Ca -0.03 -0.42 -0.12 0.00 -1.01 0.00 0.00 55.97 54.38 2ely s LYS 11 Cb 0.01 -1.82 -0.05 0.00 -1.01 0.00 0.00 37.83 34.96 2ely s LYS 11 CO 0.05 -0.21 1.47 -1.00 0.51 0.00 0.00 175.35 176.16 2ely h PRO 12 N 7.95 0.90 -6.85 -1.68 0.13 -1.87 -3.44 132.00 127.13 2ely h PRO 12 Ca -0.33 -0.47 -0.47 0.00 -0.87 0.00 0.00 66.00 63.85 2ely h PRO 12 Cb 1.14 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2ely h PRO 12 CO 0.47 1.12 0.35 -0.06 -0.23 0.00 0.00 178.00 179.65 2ely s PHE 13 N -4.40 3.76 -0.18 1.56 0.08 -1.01 -4.97 117.98 112.83 2ely s PHE 13 Ca -0.11 1.81 -0.24 0.00 0.12 0.00 0.00 56.93 58.51 2ely s PHE 13 Cb 0.11 -2.95 0.06 0.00 -0.57 0.00 0.00 43.02 39.67 2ely s PHE 13 CO 0.87 0.24 0.64 0.15 -0.10 0.00 0.00 175.22 177.02 2ely s LYS 14 N -1.83 0.83 0.24 0.44 1.02 -1.26 -0.94 119.74 118.24 2ely s LYS 14 Ca 0.48 0.68 -0.31 0.00 0.02 0.00 0.00 55.97 56.84 2ely s LYS 14 Cb -0.21 0.40 -0.11 0.00 -0.52 0.00 0.00 37.83 37.39 2ely s LYS 14 CO 0.26 -0.16 1.57 0.00 -0.92 0.00 0.00 175.35 176.11 2ely n VAL 16 N 2.95 0.04 -0.04 0.00 3.14 -1.26 0.59 118.33 123.74 2ely n VAL 16 Ca 0.10 -0.04 -0.05 0.00 -2.96 0.00 0.00 64.34 61.40 2ely n VAL 16 Cb 0.38 -0.06 -0.06 0.00 -1.06 0.00 0.00 33.84 33.05 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 -0.49 1.82 0.00 1.45 -0.58 -1.26 -4.85 120.64 116.72 2ely n GLU 17 Ca 0.05 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2ely n GLU 17 Cb 0.05 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.64 1.32 0.00 0.00 0.20 -4.95 105.19 105.53 2ely n GLY 19 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.67 -1.10 -3.62 1.61 4.76 -1.25 -4.48 118.16 113.41 2ely n LYS 20 Ca 0.00 -0.38 -0.28 0.00 -2.87 0.00 0.00 58.31 54.78 2ely n LYS 20 Cb 0.01 -0.67 -0.16 0.00 -1.84 0.00 0.00 35.03 32.38 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2ely s GLY 21 N -1.63 0.60 0.21 0.72 0.00 -1.26 -3.69 107.32 102.27 2ely s GLY 21 Ca 0.17 -1.00 0.11 0.00 0.00 0.00 0.00 44.72 44.00 2ely s GLY 21 CO 0.15 1.84 -0.18 -1.36 0.00 0.00 0.00 173.10 173.54 2ely s PHE 22 N 1.98 2.42 0.03 1.90 0.40 -0.11 -4.96 117.98 119.63 2ely s PHE 22 Ca 0.07 -0.31 0.10 0.00 -0.60 0.00 0.00 56.93 56.19 2ely s PHE 22 Cb -0.16 -1.15 -0.21 0.00 0.51 0.00 0.00 43.02 42.00 2ely s PHE 22 CO -0.26 0.55 0.96 0.77 0.70 0.00 0.00 175.22 177.95 2ely h SER 23 N 2.85 0.00 -3.04 1.36 0.02 -1.93 -2.67 113.55 110.14 2ely h SER 23 Ca -0.45 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.00 2ely h SER 23 Cb 1.22 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.62 2ely h SER 23 CO 0.53 0.98 -0.60 0.00 -1.14 0.00 0.00 176.83 176.60 2ely s ARG 24 N -2.66 1.71 0.01 3.45 1.70 -1.26 -4.73 118.95 117.17 2ely s ARG 24 Ca -0.02 -1.97 -0.22 0.00 -0.47 0.00 0.00 55.73 53.05 2ely s ARG 24 Cb 0.09 -0.93 -0.17 0.00 -0.57 0.00 0.00 34.95 33.37 2ely s ARG 24 CO 0.82 -0.21 1.29 0.07 -1.08 0.00 0.00 175.30 176.19 2ely h ARG 25 N 2.04 0.24 -0.38 3.89 0.11 -1.98 -3.17 114.38 115.12 2ely h ARG 25 Ca -0.41 -0.13 0.04 0.00 0.10 0.00 0.00 59.98 59.58 2ely h ARG 25 Cb 1.25 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 32.26 2ely h ARG 25 CO 0.70 0.69 -0.50 1.03 0.10 0.00 0.00 179.97 181.98 2ely h SER 26 N -0.20 -1.69 -1.04 0.08 0.87 -1.97 0.97 113.55 110.57 2ely h SER 26 Ca 0.01 0.22 0.27 0.00 -1.23 0.00 0.00 61.79 61.06 2ely h SER 26 Cb 0.66 0.69 -0.09 0.00 -0.44 0.00 0.00 62.40 63.22 2ely h SER 26 CO 0.03 -0.36 0.67 0.00 -0.53 0.00 0.00 176.83 176.64 2ely h ALA 27 N -0.16 2.26 0.00 6.23 0.00 -2.00 0.70 119.26 126.29 2ely h ALA 27 Ca 0.07 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2ely h ALA 27 Cb 0.53 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ely h ALA 27 CO -0.54 -0.66 -0.57 1.25 0.00 0.00 0.00 179.25 178.72 2ely h LEU 28 N 0.38 0.00 -0.25 0.00 5.85 -0.51 -3.04 115.31 117.74 2ely h LEU 28 Ca 0.59 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 59.11 2ely h LEU 28 Cb 1.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2ely h LEU 28 CO -0.29 0.51 -0.90 0.78 -0.34 0.00 0.00 178.44 178.20 2ely h ASN 29 N 0.00 0.24 -0.12 1.25 2.35 0.67 -2.82 115.58 117.16 2ely h ASN 29 Ca -0.02 -0.20 -0.24 0.00 -0.55 0.00 0.00 56.30 55.30 2ely h ASN 29 Cb 1.40 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.71 2ely h ASN 29 CO 0.06 1.02 -0.85 1.62 -1.65 0.00 0.00 177.43 177.64 2ely h VAL 30 N 0.10 1.27 0.00 2.81 3.04 -0.90 -3.09 116.25 119.48 2ely h VAL 30 Ca -0.05 -2.04 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 2ely h VAL 30 Cb 1.54 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 32.90 2ely h VAL 30 CO 0.14 0.64 0.00 -0.74 -1.01 0.00 0.00 177.57 176.60 2ely h HIS 31 N 0.51 0.00 -0.45 3.17 -0.00 -1.59 -3.00 115.15 113.79 2ely h HIS 31 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.17 2ely h HIS 31 Cb 1.48 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.88 2ely h HIS 31 CO 0.09 0.00 -0.22 0.45 -0.00 0.00 0.00 177.93 178.25 2ely h HIS 32 N 0.00 1.06 0.00 5.26 -0.00 -1.41 -2.55 115.15 117.51 2ely h HIS 32 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 2ely h HIS 32 Cb 0.53 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2ely h HIS 32 CO 0.00 1.05 0.03 0.87 -0.00 0.00 0.00 177.93 179.88 2ely h LYS 33 N 0.80 0.00 -0.00 2.45 6.56 -1.59 0.20 116.57 124.99 2ely h LYS 33 Ca 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2ely h LYS 33 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 2ely h LYS 33 CO 0.06 0.00 -0.01 1.28 -2.06 0.00 0.00 179.45 178.72 2ely n LEU 34 N -2.57 0.07 -0.78 2.94 4.77 -0.96 -3.00 117.00 117.47 2ely n LEU 34 Ca -0.02 0.18 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 2ely n LEU 34 Cb 0.08 -0.21 0.22 0.00 -2.33 0.00 0.00 43.42 41.18 2ely n LEU 34 CO 0.13 0.01 0.68 1.41 -1.33 0.00 0.00 177.39 178.29 2ely n HIS 35 N -1.17 0.76 -1.90 -1.77 8.25 0.71 -4.58 115.22 115.52 2ely n HIS 35 Ca 0.16 -0.75 -0.27 0.00 -0.26 0.00 0.00 57.72 56.60 2ely n HIS 35 Cb 0.22 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.20 2.80 0.00 1.59 -2.24 -1.16 -4.94 114.28 110.13 2ely n THR 36 Ca 0.18 -3.99 0.00 0.00 -2.27 0.00 0.00 64.05 57.97 2ely n THR 36 Cb 0.73 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.73 -0.08 3.56 3.38 0.00 -1.26 -5.11 105.19 104.95 2ely n GLY 37 Ca 0.48 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.59 2ely n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ely n GLU 38 N 0.00 1.13 -1.68 1.61 4.07 -1.26 -4.82 120.64 119.69 2ely n GLU 38 Ca 0.00 0.40 -0.43 0.00 -0.06 0.00 0.00 57.16 57.08 2ely n GLU 38 Cb 0.00 -1.86 -0.03 0.00 -0.06 0.00 0.00 31.44 29.49 2ely n GLU 38 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2ely n LYS 39 N 0.35 2.78 -0.03 5.31 3.00 -1.26 -4.89 118.16 123.42 2ely n LYS 39 Ca 0.10 1.01 -0.08 0.00 -0.00 0.00 0.00 58.31 59.34 2ely n LYS 39 Cb 0.38 -2.93 0.08 0.00 0.00 0.00 0.00 35.03 32.55 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 9.50 0.63 -2.36 1.64 0.13 -1.94 -3.45 132.00 136.16 2ely h PRO 40 Ca -0.48 -0.33 -0.07 0.00 -0.87 0.00 0.00 66.00 64.25 2ely h PRO 40 Cb 1.23 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.14 2ely h PRO 40 CO 0.94 0.93 -0.10 -1.12 -0.23 0.00 0.00 178.00 178.42 2ely s SER 41 N -6.86 -0.66 0.38 1.44 0.01 -1.26 -5.14 113.70 101.61 2ely s SER 41 Ca -0.08 1.16 -0.08 0.00 1.31 0.00 0.00 55.95 58.26 2ely s SER 41 Cb 0.12 1.11 0.03 0.00 0.21 0.00 0.00 66.02 67.49 2ely s SER 41 CO 0.84 -0.21 0.65 -0.83 0.41 0.00 0.00 173.24 174.10 2ely s GLY 42 N 0.92 1.02 0.09 3.44 0.00 -1.26 -5.10 107.32 106.44 2ely s GLY 42 Ca -0.05 -1.20 -0.31 0.00 0.00 0.00 0.00 44.72 43.16 2ely s GLY 42 CO -0.08 -0.68 1.38 2.56 0.00 0.00 0.00 173.10 176.28 2ely s PRO 43 N -2.49 4.32 -1.56 2.90 0.04 -1.26 -3.38 135.00 133.56 2ely s PRO 43 Ca 0.23 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 2ely s PRO 43 Cb -0.03 -3.32 0.16 0.00 0.04 0.00 0.00 34.50 31.35 2ely s PRO 43 CO 0.17 -0.45 0.41 0.43 0.04 0.00 0.00 177.00 177.60 2ely n SER 44 N 4.23 -1.08 -4.93 6.66 7.64 -1.26 -4.88 113.62 120.00 2ely n SER 44 Ca 0.12 -1.08 -0.26 0.00 1.01 0.00 0.00 58.87 58.66 2ely n SER 44 Cb 0.43 -1.37 0.03 0.00 -1.01 0.00 0.00 64.21 62.29 2ely n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ely s SER 45 N -3.19 5.61 0.00 6.43 1.04 -1.22 -5.29 113.70 117.09 2ely s SER 45 Ca 0.57 0.59 0.11 0.00 0.48 0.00 0.00 55.95 57.70 2ely s SER 45 Cb -0.33 -1.62 0.09 0.00 0.10 0.00 0.00 66.02 64.25 2ely s SER 45 CO 0.88 -1.00 0.85 0.61 0.98 0.00 0.00 173.24 175.55