#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loa s THR 2 N 0.00 5.21 0.29 2.62 2.01 -1.26 -5.07 115.64 119.44 1loa s THR 2 Ca 0.00 -0.20 0.12 0.00 0.31 0.00 0.00 61.69 61.92 1loa s THR 2 Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1loa s THR 2 CO 0.00 -0.14 -0.18 -0.94 -0.69 0.00 0.00 174.62 172.67 1loa s SER 3 N 1.73 3.65 -0.01 3.53 1.04 -1.26 -5.13 113.70 117.26 1loa s SER 3 Ca 0.09 -1.04 -0.06 0.00 0.48 0.00 0.00 55.95 55.43 1loa s SER 3 Cb -0.17 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1loa s SER 3 CO 0.11 0.01 0.12 -0.31 0.98 0.00 0.00 173.24 174.14 1loa s TYR 4 N -2.52 0.02 -0.03 5.02 1.51 -1.26 -5.17 117.35 114.93 1loa s TYR 4 Ca 0.30 -0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1loa s TYR 4 Cb -0.04 -0.04 0.01 0.00 -0.11 0.00 0.00 41.96 41.77 1loa s TYR 4 CO 0.15 -0.22 0.09 0.99 -1.11 0.00 0.00 175.55 175.45 1loa s THR 5 N -1.03 0.02 -0.01 -0.71 2.01 -1.26 -5.15 115.64 109.51 1loa s THR 5 Ca -0.11 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1loa s THR 5 Cb -0.06 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1loa s THR 5 CO 0.01 -0.07 0.02 -0.22 -0.69 0.00 0.00 174.62 173.67 1loa s LEU 6 N -0.20 1.87 -0.04 4.42 2.96 -1.26 -5.16 118.68 121.27 1loa s LEU 6 Ca -0.03 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1loa s LEU 6 Cb -0.02 0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.74 1loa s LEU 6 CO 0.00 -0.01 -0.08 0.20 -1.32 0.00 0.00 176.35 175.14 1loa s ASN 7 N 0.08 1.21 0.02 3.68 -0.87 -1.26 -5.16 114.94 112.63 1loa s ASN 7 Ca -0.01 -0.19 -0.04 0.00 -1.57 0.00 0.00 52.86 51.06 1loa s ASN 7 Cb -0.01 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.25 40.75 1loa s ASN 7 CO -0.00 0.02 0.05 -0.70 -2.57 0.00 0.00 177.10 173.90 1loa s GLU 8 N 0.51 0.45 -0.44 -0.60 2.56 -1.26 -5.13 118.70 114.79 1loa s GLU 8 Ca -0.08 -0.61 -0.22 0.00 0.00 0.00 0.00 54.97 54.06 1loa s GLU 8 Cb -0.12 0.17 0.02 0.00 2.00 0.00 0.00 34.13 36.21 1loa s GLU 8 CO 0.01 -0.10 0.70 0.08 -0.56 0.00 0.00 175.26 175.39 1loa s VAL 9 N -1.85 4.76 -0.35 3.70 1.01 -1.26 -5.03 120.40 121.37 1loa s VAL 9 Ca -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1loa s VAL 9 Cb -0.06 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.14 1loa s VAL 9 CO -0.02 -0.65 0.11 -0.69 0.00 0.00 0.00 175.10 173.86 1loa s VAL 10 N 3.00 3.35 -1.33 2.92 1.01 -1.26 -5.02 120.40 123.08 1loa s VAL 10 Ca 0.25 -1.55 -0.17 0.00 0.00 0.00 0.00 61.98 60.52 1loa s VAL 10 Cb -0.13 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1loa s VAL 10 CO 0.20 -0.34 1.84 -2.65 0.00 0.00 0.00 175.10 174.16 1loa n PRO 11 N 4.68 3.14 -0.23 2.72 -0.02 -1.26 -4.87 135.00 139.15 1loa n PRO 11 Ca -0.09 -3.16 0.23 0.00 -2.02 0.00 0.00 63.50 58.46 1loa n PRO 11 Cb 0.43 -3.41 0.43 0.00 -0.02 0.00 0.00 33.50 30.93 1loa n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1loa n LEU 12 N 7.58 0.25 -0.32 2.45 7.94 -1.26 -0.94 117.00 132.71 1loa n LEU 12 Ca 0.49 1.22 0.06 0.00 -1.11 0.00 0.00 56.01 56.66 1loa n LEU 12 Cb 0.44 -0.59 0.21 0.00 0.53 0.00 0.00 43.42 44.01 1loa n LEU 12 CO 0.79 -1.36 1.16 0.11 -1.11 0.00 0.00 177.39 176.99 1loa h LYS 13 N 0.00 0.79 0.00 1.96 1.57 -1.89 0.12 116.57 119.12 1loa h LYS 13 Ca 0.62 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 1loa h LYS 13 Cb 1.63 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1loa h LYS 13 CO -0.57 0.53 0.00 0.39 -0.57 0.00 0.00 179.45 179.23 1loa n GLU 14 N -4.73 0.64 0.00 3.15 -0.58 -0.11 -3.70 120.64 115.31 1loa n GLU 14 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1loa n GLU 14 Cb 0.35 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1loa n GLU 14 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1loa n PHE 15 N -0.94 0.00 -3.89 -0.32 3.72 0.30 -5.09 117.46 111.24 1loa n PHE 15 Ca 0.14 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 1loa n PHE 15 Cb 0.06 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.48 1loa n PHE 15 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1loa s VAL 16 N -0.14 0.05 1.06 -4.37 0.11 -0.60 -5.11 120.40 111.39 1loa s VAL 16 Ca 0.00 -0.42 -0.12 0.00 -2.93 0.00 0.00 61.98 58.51 1loa s VAL 16 Cb 0.00 -0.21 0.23 0.00 -1.53 0.00 0.00 36.38 34.86 1loa s VAL 16 CO 0.00 -0.23 1.07 -2.16 -3.33 0.00 0.00 175.10 170.45 1loa s PRO 17 N -0.71 -0.12 0.35 1.54 0.04 -1.26 -4.71 135.00 130.13 1loa s PRO 17 Ca -0.08 0.98 0.06 0.00 0.04 0.00 0.00 61.00 62.00 1loa s PRO 17 Cb -0.05 -1.64 0.73 0.00 0.04 0.00 0.00 34.50 33.59 1loa s PRO 17 CO 0.00 -3.23 1.94 0.93 0.04 0.00 0.00 177.00 176.68 1loa h GLU 18 N -2.27 0.75 -6.32 4.56 5.08 -1.99 -3.41 114.58 110.98 1loa h GLU 18 Ca -0.55 -0.05 -0.65 0.00 -1.00 0.00 0.00 59.36 57.11 1loa h GLU 18 Cb 1.31 -0.17 -0.29 0.00 0.50 0.00 0.00 28.75 30.10 1loa h GLU 18 CO 0.49 0.50 -0.87 -1.58 -1.00 0.00 0.00 179.01 176.55 1loa s TRP 19 N -5.70 2.08 0.35 4.33 0.52 -1.26 -5.13 118.94 114.12 1loa s TRP 19 Ca -0.10 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.64 1loa s TRP 19 Cb 0.20 -1.32 -0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1loa s TRP 19 CO 0.78 -0.01 0.42 1.33 0.02 0.00 0.00 176.95 179.49 1loa n VAL 20 N 2.40 0.00 -4.14 4.03 0.24 -1.26 -5.14 118.33 114.45 1loa n VAL 20 Ca -0.16 -2.00 -0.17 0.00 -2.04 0.00 0.00 64.34 59.97 1loa n VAL 20 Cb 0.52 1.14 -0.12 0.00 -1.47 0.00 0.00 33.84 33.91 1loa n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1loa s ARG 21 N -2.98 0.73 0.14 7.34 0.52 -1.26 -5.16 118.95 118.28 1loa s ARG 21 Ca 0.33 -0.90 0.09 0.00 -0.52 0.00 0.00 55.73 54.73 1loa s ARG 21 Cb -0.00 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.76 1loa s ARG 21 CO 0.23 0.14 -0.18 0.96 0.02 0.00 0.00 175.30 176.48 1loa s ILE 22 N -1.30 2.81 0.00 1.52 -4.36 -1.26 -5.11 121.20 113.49 1loa s ILE 22 Ca -0.04 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1loa s ILE 22 Cb -0.10 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1loa s ILE 22 CO 0.02 0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.83 1loa n GLY 23 N 0.57 0.94 3.38 6.27 0.00 -1.26 -5.17 105.19 109.93 1loa n GLY 23 Ca -0.14 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 1loa n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1loa s PHE 24 N -3.85 1.87 0.03 1.61 0.08 -1.26 -5.15 117.98 111.30 1loa s PHE 24 Ca 0.00 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1loa s PHE 24 Cb 0.00 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1loa s PHE 24 CO 0.00 0.46 -0.04 0.45 -0.10 0.00 0.00 175.22 175.98 1loa s SER 25 N -3.36 0.44 -0.07 1.36 0.15 -1.26 -5.16 113.70 105.80 1loa s SER 25 Ca 0.24 -0.57 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 1loa s SER 25 Cb -0.02 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1loa s SER 25 CO 0.09 -0.31 0.35 0.00 1.20 0.00 0.00 173.24 174.57 1loa s ALA 26 N -1.74 -0.87 0.02 5.45 0.00 -1.26 -5.17 121.76 118.20 1loa s ALA 26 Ca -0.12 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1loa s ALA 26 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1loa s ALA 26 CO -0.02 -0.23 -0.01 0.95 0.00 0.00 0.00 175.76 176.46 1loa s THR 27 N -0.66 0.13 0.07 0.00 -4.23 -1.26 -5.14 115.64 104.55 1loa s THR 27 Ca -0.08 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.49 1loa s THR 27 Cb -0.04 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 1loa s THR 27 CO 0.03 -0.57 -0.26 0.42 -0.54 0.00 0.00 174.62 173.70 1loa s THR 28 N -1.89 2.13 0.00 3.99 -4.23 -1.26 -4.91 115.64 109.46 1loa s THR 28 Ca -0.12 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1loa s THR 28 Cb -0.07 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1loa s THR 28 CO -0.02 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1loa n GLY 29 N 1.51 1.33 0.22 3.99 0.00 -1.26 -4.93 105.19 106.04 1loa n GLY 29 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1loa n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loa h ALA 30 N -0.02 1.00 -2.42 4.61 0.00 -2.08 -3.43 119.26 116.92 1loa h ALA 30 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1loa h ALA 30 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1loa h ALA 30 CO 0.00 0.00 -0.73 -1.21 0.00 0.00 0.00 179.25 177.31 1loa s GLU 31 N -3.42 1.89 0.19 0.00 2.02 -1.26 -5.14 118.70 112.99 1loa s GLU 31 Ca 0.04 -1.57 -0.06 0.00 0.02 0.00 0.00 54.97 53.40 1loa s GLU 31 Cb 0.08 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 1loa s GLU 31 CO 0.56 0.36 0.25 -0.59 0.02 0.00 0.00 175.26 175.86 1loa s PHE 32 N -2.26 0.68 -0.27 1.61 -0.71 -1.26 -4.66 117.98 111.11 1loa s PHE 32 Ca 0.29 -1.00 -0.26 0.00 -1.04 0.00 0.00 56.93 54.91 1loa s PHE 32 Cb -0.06 -0.21 0.15 0.00 -1.21 0.00 0.00 43.02 41.69 1loa s PHE 32 CO 0.16 -0.73 1.18 0.00 -1.34 0.00 0.00 175.22 174.49 1loa s ALA 33 N -4.05 -2.06 0.51 1.99 0.00 -1.26 -5.10 121.76 111.80 1loa s ALA 33 Ca 0.26 1.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.79 1loa s ALA 33 Cb 0.04 -1.43 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 1loa s ALA 33 CO 0.06 -0.21 1.05 0.00 0.00 0.00 0.00 175.76 176.66 1loa s ALA 34 N -0.18 2.83 -0.05 0.00 0.00 -1.26 -4.92 121.76 118.18 1loa s ALA 34 Ca 0.04 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 1loa s ALA 34 Cb -0.04 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1loa s ALA 34 CO -0.08 -0.45 0.05 -1.01 0.00 0.00 0.00 175.76 174.27 1loa s HIS 35 N -2.04 0.16 0.09 0.00 3.76 -1.26 -5.15 115.29 110.84 1loa s HIS 35 Ca 0.67 0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.78 1loa s HIS 35 Cb -0.17 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 1loa s HIS 35 CO 0.24 -0.23 -0.13 -1.21 -0.85 0.00 0.00 174.74 172.55 1loa s GLU 36 N 2.14 0.87 -0.07 1.40 2.02 -1.26 -5.06 118.70 118.75 1loa s GLU 36 Ca 0.05 -1.08 0.04 0.00 0.02 0.00 0.00 54.97 54.00 1loa s GLU 36 Cb -0.12 -0.76 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 1loa s GLU 36 CO -0.04 0.15 -0.18 0.08 0.02 0.00 0.00 175.26 175.29 1loa s VAL 37 N -1.81 2.69 -0.25 2.63 1.01 -1.26 -5.02 120.40 118.38 1loa s VAL 37 Ca 0.03 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1loa s VAL 37 Cb -0.07 -2.05 -0.17 0.00 0.00 0.00 0.00 36.38 34.10 1loa s VAL 37 CO 0.02 0.57 -0.21 0.18 0.00 0.00 0.00 175.10 175.66 1loa n LEU 38 N 2.83 2.84 -3.73 3.92 4.32 -1.26 -5.03 117.00 120.88 1loa n LEU 38 Ca -0.17 -0.13 -0.10 0.00 -0.02 0.00 0.00 56.01 55.59 1loa n LEU 38 Cb 0.52 -0.81 -0.05 0.00 -1.62 0.00 0.00 43.42 41.46 1loa n LEU 38 CO 0.27 0.90 0.12 -0.94 -1.22 0.00 0.00 177.39 176.52 1loa s SER 39 N -6.38 -0.15 -0.07 -1.43 1.04 -1.26 -5.17 113.70 100.28 1loa s SER 39 Ca -0.33 -0.48 -0.25 0.00 0.48 0.00 0.00 55.95 55.37 1loa s SER 39 Cb 0.09 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.73 1loa s SER 39 CO 0.59 -0.88 0.58 0.86 0.98 0.00 0.00 173.24 175.36 1loa s TRP 40 N -3.85 -0.54 -0.10 5.02 -0.00 -1.26 -5.17 118.94 113.03 1loa s TRP 40 Ca 0.07 1.00 -0.12 0.00 -0.00 0.00 0.00 56.10 57.05 1loa s TRP 40 Cb 0.02 0.30 0.03 0.00 -0.00 0.00 0.00 33.47 33.82 1loa s TRP 40 CO -0.08 -0.51 0.33 -0.47 -0.00 0.00 0.00 176.95 176.22 1loa s TYR 41 N -0.97 -0.32 0.05 5.86 5.04 -1.26 -5.17 117.35 120.58 1loa s TYR 41 Ca -0.10 0.76 -0.07 0.00 -2.44 0.00 0.00 57.07 55.22 1loa s TYR 41 Cb -0.02 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.40 1loa s TYR 41 CO 0.07 -0.22 0.13 0.12 -1.34 0.00 0.00 175.55 174.31 1loa s PHE 42 N -0.15 0.19 -0.25 4.97 5.36 -1.26 -5.15 117.98 121.69 1loa s PHE 42 Ca -0.03 -0.53 -0.23 0.00 -0.96 0.00 0.00 56.93 55.18 1loa s PHE 42 Cb -0.03 -0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.60 1loa s PHE 42 CO 0.01 -0.43 0.67 -1.58 -1.46 0.00 0.00 175.22 172.43 1loa s HIS 43 N -3.10 -0.76 -0.08 10.12 5.65 -1.26 -5.16 115.29 120.71 1loa s HIS 43 Ca -0.01 1.82 -0.07 0.00 0.25 0.00 0.00 55.06 57.05 1loa s HIS 43 Cb 0.02 0.27 0.02 0.00 -1.18 0.00 0.00 32.58 31.71 1loa s HIS 43 CO -0.07 -0.36 0.20 -1.54 -0.65 0.00 0.00 174.74 172.32 1loa s SER 44 N 0.44 -0.21 -0.02 9.88 1.04 -1.26 -5.15 113.70 118.42 1loa s SER 44 Ca -0.01 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.84 1loa s SER 44 Cb -0.05 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1loa s SER 44 CO -0.00 -0.08 -0.02 -0.70 0.98 0.00 0.00 173.24 173.41 1loa s GLU 45 N 0.19 0.38 -0.22 4.02 2.12 -1.26 -5.13 118.70 118.80 1loa s GLU 45 Ca -0.01 -0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.29 1loa s GLU 45 Cb -0.02 -0.44 0.04 0.00 0.26 0.00 0.00 34.13 33.97 1loa s GLU 45 CO -0.00 -0.02 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.39 1loa s LEU 46 N 0.47 2.67 0.00 2.70 2.96 -1.26 -5.38 118.68 120.85 1loa s LEU 46 Ca -0.05 -1.00 0.11 0.00 -0.22 0.00 0.00 54.13 52.97 1loa s LEU 46 Cb -0.08 -1.44 0.67 0.00 0.50 0.00 0.00 46.19 45.84 1loa s LEU 46 CO -0.01 -0.11 1.11 0.00 -1.32 0.00 0.00 176.35 176.02