#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 0.20 -0.25 1.61 1.04 -1.26 -5.15 113.70 109.89 2ely s SER 2 Ca 0.00 -0.01 -0.26 0.00 0.48 0.00 0.00 55.95 56.16 2ely s SER 2 Cb 0.00 -0.08 0.11 0.00 0.10 0.00 0.00 66.02 66.15 2ely s SER 2 CO 0.00 -0.05 0.96 -0.94 0.98 0.00 0.00 173.24 174.18 2ely s SER 3 N 0.55 -0.50 0.00 7.02 1.04 -1.26 -5.09 113.70 115.46 2ely s SER 3 Ca -0.05 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2ely s SER 3 Cb -0.07 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2ely s SER 3 CO -0.01 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2ely n GLY 4 N 2.03 -0.20 3.57 7.32 0.00 -1.26 -5.09 105.19 111.56 2ely n GLY 4 Ca -0.13 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 5.62 -0.33 1.61 0.15 -1.26 -4.83 113.70 114.66 2ely s SER 5 Ca 0.00 0.56 0.11 0.00 0.70 0.00 0.00 55.95 57.32 2ely s SER 5 Cb 0.00 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 62.24 2ely s SER 5 CO 0.00 -2.06 1.12 -1.54 1.20 0.00 0.00 173.24 171.95 2ely n SER 6 N 11.42 3.65 -3.34 5.45 3.41 -1.26 -4.91 113.62 128.04 2ely n SER 6 Ca 0.19 -3.23 -0.32 0.00 -0.26 0.00 0.00 58.87 55.25 2ely n SER 6 Cb 0.50 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2ely n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ely n GLY 7 N -0.53 5.53 3.76 5.00 0.00 -1.26 -5.04 105.19 112.65 2ely n GLY 7 Ca 0.30 -2.72 -0.26 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.81 4.23 0.00 2.61 -1.32 -1.26 -5.00 115.64 111.09 2ely s THR 8 Ca 0.42 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 2ely s THR 8 Cb 0.20 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 2ely s THR 8 CO -0.08 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 2ely n GLY 9 N -0.38 0.07 3.07 6.08 0.00 -1.26 -5.06 105.19 107.70 2ely n GLY 9 Ca -0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.92 -5.70 -2.35 1.61 1.02 -1.26 -4.96 120.64 108.07 2ely n GLU 10 Ca 0.00 0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 57.46 2ely n GLU 10 Cb 0.00 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.06 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 -5.26 4.34 0.18 3.49 3.01 -1.26 -4.96 119.74 119.28 2ely s LYS 11 Ca 0.06 1.87 -0.06 0.00 -1.01 0.00 0.00 55.97 56.83 2ely s LYS 11 Cb -0.03 -2.93 0.08 0.00 -1.01 0.00 0.00 37.83 33.94 2ely s LYS 11 CO 0.61 -0.08 1.53 -1.00 0.51 0.00 0.00 175.35 176.92 2ely h PRO 12 N 3.21 0.76 -5.67 -1.68 0.13 -1.92 -3.43 132.00 123.40 2ely h PRO 12 Ca -0.48 -0.40 -0.59 0.00 -0.87 0.00 0.00 66.00 63.66 2ely h PRO 12 Cb 1.22 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 2ely h PRO 12 CO 0.65 1.02 -0.23 -0.06 -0.23 0.00 0.00 178.00 179.16 2ely s PHE 13 N -4.31 3.52 -0.01 1.56 0.08 -1.25 -5.00 117.98 112.56 2ely s PHE 13 Ca -0.09 0.78 -0.02 0.00 0.12 0.00 0.00 56.93 57.71 2ely s PHE 13 Cb 0.12 -2.43 -0.00 0.00 -0.57 0.00 0.00 43.02 40.14 2ely s PHE 13 CO 0.86 0.26 0.05 0.15 -0.10 0.00 0.00 175.22 176.44 2ely s LYS 14 N 0.34 0.18 0.28 0.44 1.02 -1.26 -0.30 119.74 120.44 2ely s LYS 14 Ca 0.22 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 2ely s LYS 14 Cb -0.14 0.07 -0.10 0.00 -0.52 0.00 0.00 37.83 37.14 2ely s LYS 14 CO 0.08 -0.03 1.19 0.00 -0.92 0.00 0.00 175.35 175.67 2ely n VAL 16 N 1.26 0.29 -0.05 0.00 3.14 -1.26 -0.44 118.33 121.27 2ely n VAL 16 Ca 0.00 -0.33 -0.06 0.00 -2.96 0.00 0.00 64.34 61.00 2ely n VAL 16 Cb 0.44 0.19 -0.06 0.00 -1.06 0.00 0.00 33.84 33.34 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 0.21 1.71 0.00 1.45 -0.58 -1.26 -4.85 120.64 117.32 2ely n GLU 17 Ca 0.11 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2ely n GLU 17 Cb 0.24 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 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 1.97 1.08 2.18 0.00 0.00 0.42 -4.96 105.19 105.88 2ely n GLY 19 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.93 -1.19 -3.75 1.61 4.81 -1.26 -4.41 118.16 112.05 2ely n LYS 20 Ca 0.00 -0.56 -0.25 0.00 -0.87 0.00 0.00 58.31 56.64 2ely n LYS 20 Cb 0.00 -1.08 -0.17 0.00 0.02 0.00 0.00 35.03 33.80 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 -1.80 0.54 0.27 3.14 0.00 -1.26 -3.18 107.32 105.02 2ely s GLY 21 Ca 0.26 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.66 2ely s GLY 21 CO 0.21 1.28 0.11 0.69 0.00 0.00 0.00 173.10 175.40 2ely n PHE 22 N 5.13 -0.31 0.00 1.90 3.01 0.58 -5.00 117.46 122.77 2ely n PHE 22 Ca -0.08 -1.22 0.00 0.00 1.01 0.00 0.00 57.45 57.17 2ely n PHE 22 Cb 0.49 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2ely n PHE 22 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2ely n SER 23 N -1.58 4.73 -4.64 4.37 3.41 -1.26 -3.81 113.62 114.83 2ely n SER 23 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 2ely n SER 23 Cb 0.32 0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 2ely n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ely s ARG 24 N -1.95 2.09 -0.10 4.33 1.70 -1.26 -4.84 118.95 118.92 2ely s ARG 24 Ca 0.00 -1.79 0.06 0.00 -0.47 0.00 0.00 55.73 53.53 2ely s ARG 24 Cb 0.00 -1.91 0.35 0.00 -0.57 0.00 0.00 34.95 32.82 2ely s ARG 24 CO 0.00 0.09 1.04 -2.13 -1.08 0.00 0.00 175.30 173.22 2ely n ARG 25 N -0.99 2.66 0.01 3.89 0.63 -1.26 -3.99 116.66 117.60 2ely n ARG 25 Ca -0.04 -1.34 -0.02 0.00 -0.92 0.00 0.00 57.85 55.52 2ely n ARG 25 Cb 0.63 -1.82 -0.01 0.00 0.45 0.00 0.00 32.46 31.71 2ely n ARG 25 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ely n SER 26 N 0.27 0.75 -0.15 6.15 2.88 -1.26 -4.39 113.62 117.86 2ely n SER 26 Ca 0.12 0.10 0.20 0.00 -1.33 0.00 0.00 58.87 57.96 2ely n SER 26 Cb 0.65 -0.25 0.59 0.00 -0.75 0.00 0.00 64.21 64.45 2ely n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ely h ALA 27 N -0.12 2.37 0.01 -1.46 0.00 -2.00 0.14 119.26 118.20 2ely h ALA 27 Ca -0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2ely h ALA 27 Cb 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2ely h ALA 27 CO -0.03 -0.60 -0.92 1.25 0.00 0.00 0.00 179.25 178.96 2ely h LEU 28 N 0.23 0.33 -0.84 0.00 5.85 -1.84 -2.71 115.31 116.34 2ely h LEU 28 Ca 0.38 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2ely h LEU 28 Cb 1.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2ely h LEU 28 CO -0.08 1.09 -0.42 0.78 -0.34 0.00 0.00 178.44 179.46 2ely h ASN 29 N 0.14 0.36 -0.11 1.25 2.35 -0.98 -2.78 115.58 115.82 2ely h ASN 29 Ca -0.06 -0.16 -0.21 0.00 -0.55 0.00 0.00 56.30 55.32 2ely h ASN 29 Cb 1.56 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.84 2ely h ASN 29 CO 0.15 0.75 -0.76 1.62 -1.65 0.00 0.00 177.43 177.53 2ely h VAL 30 N 0.29 1.30 0.00 2.81 3.04 -1.25 -3.11 116.25 119.33 2ely h VAL 30 Ca 0.02 -2.00 -0.02 0.00 -1.01 0.00 0.00 66.70 63.70 2ely h VAL 30 Cb 0.86 2.13 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2ely h VAL 30 CO 0.07 0.62 -0.07 -0.74 -1.01 0.00 0.00 177.57 176.44 2ely h HIS 31 N 0.40 0.00 -0.37 3.17 -0.00 -1.42 -2.60 115.15 114.33 2ely h HIS 31 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 2ely h HIS 31 Cb 1.40 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.80 2ely h HIS 31 CO 0.10 0.07 0.11 0.45 -0.00 0.00 0.00 177.93 178.67 2ely h HIS 32 N 0.00 0.59 -1.18 5.26 -0.00 -1.42 -2.69 115.15 115.72 2ely h HIS 32 Ca -0.00 -0.06 0.34 0.00 -0.00 0.00 0.00 60.37 60.65 2ely h HIS 32 Cb 0.24 -0.17 -0.09 0.00 -0.00 0.00 0.00 27.41 27.39 2ely h HIS 32 CO 0.00 0.57 0.78 0.87 -0.00 0.00 0.00 177.93 180.15 2ely h LYS 33 N 0.44 0.21 -0.76 2.45 6.56 -1.55 0.66 116.57 124.59 2ely h LYS 33 Ca 0.12 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.71 2ely h LYS 33 Cb 0.26 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.83 2ely h LYS 33 CO -0.00 0.14 0.50 -0.07 -2.06 0.00 0.00 179.45 177.96 2ely h LEU 34 N 0.22 0.84 0.45 2.94 3.38 -1.61 -3.13 115.31 118.40 2ely h LEU 34 Ca 0.66 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.59 2ely h LEU 34 Cb 2.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2ely h LEU 34 CO -0.26 0.60 -0.22 0.45 0.09 0.00 0.00 178.44 179.09 2ely h HIS 35 N 0.98 -0.56 -0.30 1.13 3.86 0.22 -3.39 115.15 117.09 2ely h HIS 35 Ca 0.29 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.36 2ely h HIS 35 Cb -0.05 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2ely h HIS 35 CO -0.00 -0.35 0.36 -0.08 0.86 0.00 0.00 177.93 178.72 2ely s THR 36 N -3.61 3.19 0.00 2.45 -1.32 -1.08 -4.38 115.64 110.89 2ely s THR 36 Ca -0.09 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2ely s THR 36 Cb 0.01 -3.95 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 2ely s THR 36 CO 0.27 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 2ely n GLY 37 N 6.27 2.93 3.22 6.08 0.00 -1.26 -4.91 105.19 117.52 2ely n GLY 37 Ca 0.43 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.70 1.11 0.90 1.61 2.02 -1.26 -4.90 118.70 116.48 2ely s GLU 38 Ca 0.00 -1.55 -0.17 0.00 0.02 0.00 0.00 54.97 53.27 2ely s GLU 38 Cb 0.00 -0.05 -0.15 0.00 0.10 0.00 0.00 34.13 34.03 2ely s GLU 38 CO 0.00 -0.22 -0.68 1.63 0.02 0.00 0.00 175.26 176.01 2ely n LYS 39 N -0.23 0.00 -2.05 1.61 4.76 -1.26 -4.67 118.16 116.31 2ely n LYS 39 Ca -0.04 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.12 2ely n LYS 39 Cb 0.64 -0.99 -0.05 0.00 -1.84 0.00 0.00 35.03 32.79 2ely n LYS 39 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2ely s PRO 40 N -1.80 2.53 -0.16 1.97 0.04 -1.26 -4.87 135.00 131.45 2ely s PRO 40 Ca 0.42 -0.58 -0.04 0.00 0.04 0.00 0.00 61.00 60.84 2ely s PRO 40 Cb -0.23 -5.12 0.07 0.00 0.04 0.00 0.00 34.50 29.26 2ely s PRO 40 CO 0.79 -3.58 0.19 0.45 0.04 0.00 0.00 177.00 174.89 2ely s SER 41 N 7.52 1.18 0.00 6.66 0.15 -1.26 -5.00 113.70 122.95 2ely s SER 41 Ca 0.70 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2ely s SER 41 Cb -0.05 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2ely s SER 41 CO 0.04 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2ely n GLY 42 N 5.32 -0.28 3.55 9.45 0.00 -1.26 -4.97 105.19 117.01 2ely n GLY 42 Ca -0.05 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.57 2.59 -1.17 1.61 0.04 -1.26 -4.91 135.00 131.32 2ely s PRO 43 Ca 0.00 0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.02 2ely s PRO 43 Cb 0.00 -4.72 0.09 0.00 0.04 0.00 0.00 34.50 29.91 2ely s PRO 43 CO 0.00 -3.06 1.54 0.45 0.04 0.00 0.00 177.00 175.97 2ely s SER 44 N 8.09 6.79 0.62 6.66 0.15 -1.26 -4.99 113.70 129.76 2ely s SER 44 Ca 0.69 -2.30 -0.18 0.00 0.70 0.00 0.00 55.95 54.86 2ely s SER 44 Cb -0.10 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2ely s SER 44 CO 0.10 -1.14 1.04 -0.24 1.20 0.00 0.00 173.24 174.20 2ely n SER 45 N 7.69 1.06 0.00 5.45 2.88 -1.26 -5.30 113.62 124.14 2ely n SER 45 Ca 0.40 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2ely n SER 45 Cb 0.47 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 2ely n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42