#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lob s SER 3 N 0.00 2.92 -0.06 8.00 0.01 -1.26 -5.14 113.70 118.18 1lob s SER 3 Ca 0.00 -1.14 -0.03 0.00 1.31 0.00 0.00 55.95 56.09 1lob s SER 3 Cb 0.00 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1lob s SER 3 CO 0.00 -0.25 0.13 -0.31 0.41 0.00 0.00 173.24 173.22 1lob s TYR 4 N -2.90 -0.14 0.04 2.43 1.51 -1.26 -5.16 117.35 111.86 1lob s TYR 4 Ca 0.28 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.81 1lob s TYR 4 Cb 0.02 -0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 41.78 1lob s TYR 4 CO 0.12 -0.14 -0.13 0.99 -1.11 0.00 0.00 175.55 175.28 1lob s THR 5 N 0.91 0.99 -0.01 -0.71 2.01 -1.26 -5.14 115.64 112.42 1lob s THR 5 Ca -0.07 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 1lob s THR 5 Cb -0.09 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1lob s THR 5 CO -0.04 -0.04 0.04 -0.22 -0.69 0.00 0.00 174.62 173.66 1lob s LEU 6 N -1.14 1.86 -0.00 4.42 2.96 -1.26 -5.16 118.68 120.36 1lob s LEU 6 Ca 0.00 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1lob s LEU 6 Cb -0.08 0.13 -0.00 0.00 0.50 0.00 0.00 46.19 46.74 1lob s LEU 6 CO 0.01 -0.02 -0.04 0.20 -1.32 0.00 0.00 176.35 175.18 1lob s ASN 7 N -0.01 0.49 0.09 3.68 0.01 -1.26 -5.15 114.94 112.79 1lob s ASN 7 Ca -0.00 -0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 1lob s ASN 7 Cb -0.00 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.61 1lob s ASN 7 CO 0.00 0.05 0.25 -1.61 -1.51 0.00 0.00 177.10 174.28 1lob s GLU 8 N -0.09 0.89 -0.36 -0.60 0.41 -1.26 -5.11 118.70 112.58 1lob s GLU 8 Ca 0.02 -0.86 -0.20 0.00 -0.41 0.00 0.00 54.97 53.51 1lob s GLU 8 Cb -0.02 0.37 0.00 0.00 -1.78 0.00 0.00 34.13 32.71 1lob s GLU 8 CO -0.00 -0.30 0.64 0.08 -0.49 0.00 0.00 175.26 175.19 1lob s VAL 9 N -3.71 4.89 -0.22 2.63 1.01 -1.26 -5.02 120.40 118.72 1lob s VAL 9 Ca 0.03 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1lob s VAL 9 Cb 0.04 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1lob s VAL 9 CO -0.10 -0.32 0.00 0.54 0.00 0.00 0.00 175.10 175.22 1lob s VAL 10 N 2.71 0.96 -1.20 2.92 0.11 -1.26 -5.04 120.40 119.60 1lob s VAL 10 Ca 0.24 -0.88 -0.20 0.00 -2.93 0.00 0.00 61.98 58.21 1lob s VAL 10 Cb -0.14 -1.39 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 1lob s VAL 10 CO 0.15 -0.19 1.76 -2.16 -3.33 0.00 0.00 175.10 171.32 1lob s PRO 11 N 1.65 3.45 0.44 1.54 0.04 -1.26 -4.83 135.00 136.02 1lob s PRO 11 Ca -0.02 -1.52 0.27 0.00 0.04 0.00 0.00 61.00 59.77 1lob s PRO 11 Cb -0.18 -5.40 1.33 0.00 0.04 0.00 0.00 34.50 30.29 1lob s PRO 11 CO -0.08 -2.76 1.68 -0.07 0.04 0.00 0.00 177.00 175.81 1lob h LEU 12 N 14.29 0.29 -2.34 -3.56 3.38 -1.98 0.79 115.31 126.17 1lob h LEU 12 Ca 0.32 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.43 1lob h LEU 12 Cb 0.92 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1lob h LEU 12 CO 1.38 -0.07 0.11 0.50 0.09 0.00 0.00 178.44 180.44 1lob h LYS 13 N 0.18 0.00 0.00 1.13 3.64 -1.88 -0.01 116.57 119.63 1lob h LYS 13 Ca 0.73 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.11 1lob h LYS 13 Cb 2.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 1lob h LYS 13 CO -0.34 0.00 -0.35 0.93 -2.27 0.00 0.00 179.45 177.43 1lob h GLU 14 N 0.00 0.00 0.00 1.90 4.39 -1.24 -3.40 114.58 116.23 1lob h GLU 14 Ca 0.05 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 1lob h GLU 14 Cb 0.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1lob h GLU 14 CO -0.00 0.00 -1.75 1.19 -1.16 0.00 0.00 179.01 177.29 1lob n PHE 15 N -2.95 0.00 -4.27 4.33 3.72 -0.16 -5.06 117.46 113.08 1lob n PHE 15 Ca 0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.15 1lob n PHE 15 Cb 0.54 -0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 1lob n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1lob s VAL 16 N -2.26 3.22 1.37 -4.37 -7.23 -0.38 -5.12 120.40 105.63 1lob s VAL 16 Ca -0.12 -1.52 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 1lob s VAL 16 Cb 0.04 -2.56 0.35 0.00 0.56 0.00 0.00 36.38 34.77 1lob s VAL 16 CO 0.37 -0.02 0.90 -2.65 -0.31 0.00 0.00 175.10 173.39 1lob n PRO 17 N 0.32 -4.01 -0.10 4.82 -0.02 -1.26 -4.77 135.00 129.98 1lob n PRO 17 Ca -0.12 -1.18 -0.10 0.00 -2.02 0.00 0.00 63.50 60.09 1lob n PRO 17 Cb 0.54 -2.00 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 1lob n PRO 17 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1lob h GLU 18 N -3.31 0.83 -5.51 -0.52 5.08 -1.99 -3.41 114.58 105.76 1lob h GLU 18 Ca -0.49 -0.37 -0.65 0.00 -1.00 0.00 0.00 59.36 56.85 1lob h GLU 18 Cb 1.33 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.34 1lob h GLU 18 CO 0.34 1.01 -0.70 -1.58 -1.00 0.00 0.00 179.01 177.07 1lob s TRP 19 N -4.53 2.95 0.21 4.33 0.52 -1.26 -5.13 118.94 116.02 1lob s TRP 19 Ca -0.10 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.73 1lob s TRP 19 Cb 0.12 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1lob s TRP 19 CO 0.85 0.01 0.02 0.14 0.02 0.00 0.00 176.95 177.99 1lob s VAL 20 N 0.08 0.75 0.03 4.03 -7.23 -1.26 -5.15 120.40 111.65 1lob s VAL 20 Ca -0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1lob s VAL 20 Cb -0.14 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1lob s VAL 20 CO 0.03 -0.34 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.18 1lob s ARG 21 N -3.93 2.14 0.33 4.82 0.52 -1.26 -5.14 118.95 116.44 1lob s ARG 21 Ca 0.28 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1lob s ARG 21 Cb 0.06 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 1lob s ARG 21 CO 0.07 0.55 0.12 0.96 0.02 0.00 0.00 175.30 177.03 1lob s ILE 22 N -0.90 3.07 -1.96 1.52 -4.36 -1.26 -5.12 121.20 112.19 1lob s ILE 22 Ca 0.14 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1lob s ILE 22 Cb -0.11 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.64 1lob s ILE 22 CO 0.05 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1lob n GLY 23 N -1.12 -1.18 3.23 6.27 0.00 -1.26 -5.15 105.19 105.99 1lob n GLY 23 Ca -0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1lob n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lob s PHE 24 N -3.00 1.50 0.01 1.61 0.08 -1.26 -5.15 117.98 111.77 1lob s PHE 24 Ca 0.00 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 1lob s PHE 24 Cb 0.00 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1lob s PHE 24 CO 0.00 0.14 0.01 0.45 -0.10 0.00 0.00 175.22 175.72 1lob s SER 25 N -1.90 0.15 -0.07 1.36 0.15 -1.26 -5.16 113.70 106.97 1lob s SER 25 Ca 0.03 -0.33 -0.28 0.00 0.70 0.00 0.00 55.95 56.06 1lob s SER 25 Cb -0.09 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.39 1lob s SER 25 CO 0.03 -0.25 0.64 0.00 1.20 0.00 0.00 173.24 174.86 1lob s ALA 26 N -1.15 -1.64 0.15 5.45 0.00 -1.26 -5.17 121.76 118.14 1lob s ALA 26 Ca -0.13 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 1lob s ALA 26 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1lob s ALA 26 CO -0.00 -0.35 0.10 0.95 0.00 0.00 0.00 175.76 176.45 1lob s THR 27 N -1.02 0.07 0.28 0.00 -4.23 -1.26 -5.12 115.64 104.36 1lob s THR 27 Ca -0.10 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1lob s THR 27 Cb -0.01 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.62 1lob s THR 27 CO 0.08 -0.33 0.07 0.42 -0.54 0.00 0.00 174.62 174.32 1lob s THR 28 N -4.07 0.87 0.00 3.99 -4.23 -1.26 -4.84 115.64 106.10 1lob s THR 28 Ca 0.27 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1lob s THR 28 Cb 0.07 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1lob s THR 28 CO 0.04 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1lob n GLY 29 N -0.54 4.33 0.20 3.99 0.00 -1.26 -4.96 105.19 106.95 1lob n GLY 29 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 1lob n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lob h ALA 30 N 1.09 0.93 -2.00 4.61 0.00 -2.08 -3.42 119.26 118.40 1lob h ALA 30 Ca 0.00 -0.47 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 1lob h ALA 30 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1lob h ALA 30 CO 0.00 0.65 -0.49 -1.21 0.00 0.00 0.00 179.25 178.20 1lob s GLU 31 N -4.03 2.75 0.20 0.00 2.02 -1.26 -5.15 118.70 113.23 1lob s GLU 31 Ca -0.05 -1.23 -0.07 0.00 0.02 0.00 0.00 54.97 53.64 1lob s GLU 31 Cb 0.12 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 1lob s GLU 31 CO 0.80 0.22 0.28 -0.59 0.02 0.00 0.00 175.26 175.99 1lob s PHE 32 N -2.25 0.70 -0.01 1.61 -0.12 -1.26 -4.73 117.98 111.92 1lob s PHE 32 Ca 0.37 -1.01 -0.28 0.00 -0.05 0.00 0.00 56.93 55.96 1lob s PHE 32 Cb -0.06 -0.19 0.09 0.00 -0.63 0.00 0.00 43.02 42.23 1lob s PHE 32 CO 0.25 -0.77 0.76 0.00 -0.05 0.00 0.00 175.22 175.41 1lob s ALA 33 N -4.06 -1.77 0.23 1.99 0.00 -1.26 -5.06 121.76 111.83 1lob s ALA 33 Ca 0.28 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1lob s ALA 33 Cb 0.04 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 1lob s ALA 33 CO 0.08 -0.52 0.89 0.00 0.00 0.00 0.00 175.76 176.21 1lob s ALA 34 N -2.18 3.35 -0.12 0.00 0.00 -1.26 -4.93 121.76 116.63 1lob s ALA 34 Ca -0.03 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1lob s ALA 34 Cb -0.01 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1lob s ALA 34 CO -0.01 0.23 -0.15 -1.01 0.00 0.00 0.00 175.76 174.82 1lob s HIS 35 N -1.26 2.06 0.01 0.00 3.76 -1.26 -5.14 115.29 113.46 1lob s HIS 35 Ca 0.41 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 1lob s HIS 35 Cb -0.24 -1.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1lob s HIS 35 CO 0.29 -0.54 -0.01 -1.21 -0.85 0.00 0.00 174.74 172.41 1lob s GLU 36 N 1.15 0.12 -0.08 1.40 2.02 -1.26 -5.07 118.70 116.99 1lob s GLU 36 Ca -0.03 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1lob s GLU 36 Cb -0.14 0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.08 1lob s GLU 36 CO -0.05 -0.01 -0.10 0.08 0.02 0.00 0.00 175.26 175.20 1lob s VAL 37 N -0.52 3.42 -0.16 2.63 1.01 -1.26 -5.03 120.40 120.50 1lob s VAL 37 Ca -0.06 -0.58 0.15 0.00 0.00 0.00 0.00 61.98 61.50 1lob s VAL 37 Cb -0.04 -2.39 -0.21 0.00 0.00 0.00 0.00 36.38 33.74 1lob s VAL 37 CO -0.00 0.58 0.07 0.18 0.00 0.00 0.00 175.10 175.93 1lob n LEU 38 N 2.54 0.00 -3.73 3.92 4.32 -1.26 -5.05 117.00 117.74 1lob n LEU 38 Ca -0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.72 1lob n LEU 38 Cb 0.53 0.39 -0.04 0.00 -1.62 0.00 0.00 43.42 42.68 1lob n LEU 38 CO 0.27 0.39 0.29 -0.94 -1.22 0.00 0.00 177.39 176.19 1lob s SER 39 N -5.00 -0.28 -0.29 -1.43 1.04 -1.26 -5.18 113.70 101.31 1lob s SER 39 Ca -0.08 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 55.75 1lob s SER 39 Cb 0.05 0.59 0.12 0.00 0.10 0.00 0.00 66.02 66.88 1lob s SER 39 CO 0.68 -1.07 0.72 0.86 0.98 0.00 0.00 173.24 175.42 1lob s TRP 40 N -3.87 -1.12 -0.04 5.02 -0.00 -1.26 -5.16 118.94 112.52 1lob s TRP 40 Ca 0.09 2.05 0.07 0.00 -0.00 0.00 0.00 56.10 58.31 1lob s TRP 40 Cb -0.01 0.67 -0.02 0.00 -0.00 0.00 0.00 33.47 34.11 1lob s TRP 40 CO -0.03 -0.55 -0.25 -0.47 -0.00 0.00 0.00 176.95 175.65 1lob s TYR 41 N 2.26 2.39 0.01 5.86 5.04 -1.26 -5.15 117.35 126.51 1lob s TYR 41 Ca -0.07 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1lob s TYR 41 Cb -0.08 -1.54 -0.01 0.00 0.35 0.00 0.00 41.96 40.67 1lob s TYR 41 CO -0.19 -0.09 -0.02 0.12 -1.34 0.00 0.00 175.55 174.02 1lob s PHE 42 N -0.45 0.21 -0.19 4.97 5.36 -1.26 -5.15 117.98 121.47 1lob s PHE 42 Ca 0.05 -0.37 -0.09 0.00 -0.96 0.00 0.00 56.93 55.56 1lob s PHE 42 Cb -0.11 -0.15 0.08 0.00 -0.34 0.00 0.00 43.02 42.50 1lob s PHE 42 CO 0.01 -0.13 0.44 -1.58 -1.46 0.00 0.00 175.22 172.50 1lob s HIS 43 N -1.03 -0.74 0.16 10.12 5.65 -1.26 -5.18 115.29 123.01 1lob s HIS 43 Ca -0.11 1.48 0.08 0.00 0.25 0.00 0.00 55.06 56.76 1lob s HIS 43 Cb -0.07 0.32 -0.04 0.00 -1.18 0.00 0.00 32.58 31.61 1lob s HIS 43 CO -0.01 -0.43 -0.17 -1.54 -0.65 0.00 0.00 174.74 171.95 1lob s SER 44 N 2.01 2.53 -0.08 9.88 1.04 -1.26 -5.15 113.70 122.67 1lob s SER 44 Ca -0.06 -0.86 -0.05 0.00 0.48 0.00 0.00 55.95 55.45 1lob s SER 44 Cb -0.10 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.91 1lob s SER 44 CO -0.13 -0.07 0.19 -1.83 0.98 0.00 0.00 173.24 172.38 1lob s GLU 45 N -2.83 0.19 -0.12 4.02 -1.05 -1.26 -5.13 118.70 112.52 1lob s GLU 45 Ca 0.15 0.35 -0.03 0.00 -0.15 0.00 0.00 54.97 55.29 1lob s GLU 45 Cb -0.05 -0.01 0.04 0.00 -0.44 0.00 0.00 34.13 33.67 1lob s GLU 45 CO 0.06 -0.09 0.04 -1.17 0.95 0.00 0.00 175.26 175.05 1lob s LEU 46 N 0.62 0.57 0.56 1.83 2.96 -1.26 -5.12 118.68 118.84 1lob s LEU 46 Ca -0.04 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.33 1lob s LEU 46 Cb -0.06 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 1lob s LEU 46 CO -0.03 -0.27 1.15 0.00 -1.32 0.00 0.00 176.35 175.88 1lob s ALA 47 N 2.03 2.65 0.00 5.97 0.00 -1.26 -5.37 121.76 125.78 1lob s ALA 47 Ca 0.03 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1lob s ALA 47 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1lob s ALA 47 CO -0.06 -0.88 0.27 0.41 0.00 0.00 0.00 175.76 175.50