#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 3.33 -0.03 3.42 0.01 -1.26 -5.13 113.70 114.04 1lob s SER 3 Ca 0.00 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1lob s SER 3 Cb 0.00 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1lob s SER 3 CO 0.00 0.09 -0.01 -0.31 0.41 0.00 0.00 173.24 173.42 1lob s TYR 4 N -1.83 0.39 0.15 2.43 1.51 -1.26 -5.16 117.35 113.58 1lob s TYR 4 Ca 0.21 -0.03 0.09 0.00 -1.01 0.00 0.00 57.07 56.33 1lob s TYR 4 Cb -0.07 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1lob s TYR 4 CO 0.10 -0.15 -0.20 0.99 -1.11 0.00 0.00 175.55 175.19 1lob s THR 5 N 1.05 1.86 -0.16 -0.71 2.01 -1.26 -5.14 115.64 113.29 1lob s THR 5 Ca -0.09 -1.83 -0.13 0.00 0.31 0.00 0.00 61.69 59.95 1lob s THR 5 Cb -0.14 -1.80 0.05 0.00 0.01 0.00 0.00 72.50 70.62 1lob s THR 5 CO -0.02 -0.21 0.41 -0.22 -0.69 0.00 0.00 174.62 173.89 1lob s LEU 6 N -2.45 0.27 0.07 4.42 2.96 -1.26 -5.16 118.68 117.53 1lob s LEU 6 Ca 0.14 0.84 0.06 0.00 -0.22 0.00 0.00 54.13 54.94 1lob s LEU 6 Cb -0.07 1.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.97 1lob s LEU 6 CO 0.06 -0.16 -0.15 0.20 -1.32 0.00 0.00 176.35 174.98 1lob s ASN 7 N 0.59 1.81 0.05 3.68 -0.87 -1.26 -5.15 114.94 113.80 1lob s ASN 7 Ca -0.03 -0.59 -0.25 0.00 -1.57 0.00 0.00 52.86 50.43 1lob s ASN 7 Cb -0.05 -0.08 0.06 0.00 -0.02 0.00 0.00 41.25 41.17 1lob s ASN 7 CO -0.04 -0.02 0.58 -1.61 -2.57 0.00 0.00 177.10 173.44 1lob s GLU 8 N -1.60 1.10 -0.32 -0.60 0.41 -1.26 -5.10 118.70 111.32 1lob s GLU 8 Ca 0.00 -0.15 -0.23 0.00 -0.41 0.00 0.00 54.97 54.18 1lob s GLU 8 Cb -0.09 0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.76 1lob s GLU 8 CO 0.02 -0.40 0.79 0.08 -0.49 0.00 0.00 175.26 175.26 1lob s VAL 9 N -2.39 4.78 -0.15 2.63 1.01 -1.26 -5.01 120.40 120.00 1lob s VAL 9 Ca -0.05 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1lob s VAL 9 Cb -0.01 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1lob s VAL 9 CO -0.01 -0.29 -0.03 0.68 0.00 0.00 0.00 175.10 175.45 1lob s VAL 10 N 2.99 0.91 -1.17 2.92 -7.23 -1.26 -5.05 120.40 112.51 1lob s VAL 10 Ca 0.32 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.78 1lob s VAL 10 Cb -0.14 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 1lob s VAL 10 CO 0.14 0.10 1.90 -0.81 -0.31 0.00 0.00 175.10 176.11 1lob n PRO 11 N 4.94 2.02 -0.33 4.82 -0.04 -1.26 -4.84 135.00 140.32 1lob n PRO 11 Ca -0.11 -2.59 0.13 0.00 -0.04 0.00 0.00 63.50 60.89 1lob n PRO 11 Cb 0.48 -3.56 0.26 0.00 -0.04 0.00 0.00 33.50 30.64 1lob n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1lob n LEU 12 N 11.76 -0.14 0.12 1.53 4.77 -1.26 -0.40 117.00 133.38 1lob n LEU 12 Ca 0.47 1.60 0.20 0.00 -0.03 0.00 0.00 56.01 58.24 1lob n LEU 12 Cb 0.45 -0.57 0.73 0.00 -2.33 0.00 0.00 43.42 41.70 1lob n LEU 12 CO 0.76 -1.61 1.17 0.50 -1.33 0.00 0.00 177.39 176.88 1lob h LYS 13 N 0.00 0.00 0.00 3.23 3.64 -1.88 0.36 116.57 121.92 1lob h LYS 13 Ca 0.55 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.80 1lob h LYS 13 Cb 1.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1lob h LYS 13 CO -0.89 0.00 -0.64 0.93 -2.27 0.00 0.00 179.45 176.57 1lob h GLU 14 N 0.00 0.00 0.00 1.90 4.39 -1.14 -3.40 114.58 116.34 1lob h GLU 14 Ca 0.17 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.66 1lob h GLU 14 Cb 1.14 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 1lob h GLU 14 CO -0.00 0.64 -1.82 1.19 -1.16 0.00 0.00 179.01 177.87 1lob n PHE 15 N -3.36 0.00 -4.20 4.33 3.72 0.11 -5.05 117.46 113.01 1lob n PHE 15 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 1lob n PHE 15 Cb 0.75 -0.59 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.29 3.80 1.13 -4.37 -7.23 -0.50 -5.12 120.40 105.82 1lob s VAL 16 Ca -0.06 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.48 1lob s VAL 16 Cb 0.04 -2.95 0.26 0.00 0.56 0.00 0.00 36.38 34.28 1lob s VAL 16 CO 0.49 -0.19 1.06 -2.84 -0.31 0.00 0.00 175.10 173.31 1lob s PRO 17 N -3.19 -0.62 0.22 4.82 0.02 -1.26 -4.76 135.00 130.24 1lob s PRO 17 Ca 0.29 0.51 -0.09 0.00 0.02 0.00 0.00 61.00 61.72 1lob s PRO 17 Cb -0.09 -1.62 0.20 0.00 0.02 0.00 0.00 34.50 33.01 1lob s PRO 17 CO 0.20 -3.43 1.87 0.93 -0.33 0.00 0.00 177.00 176.24 1lob h GLU 18 N -2.40 0.97 -5.32 5.54 5.08 -2.00 -3.41 114.58 113.05 1lob h GLU 18 Ca -0.56 -0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 57.10 1lob h GLU 18 Cb 1.33 -0.22 -0.24 0.00 0.50 0.00 0.00 28.75 30.12 1lob h GLU 18 CO 0.51 0.64 -0.71 -1.58 -1.00 0.00 0.00 179.01 176.87 1lob s TRP 19 N -6.12 2.92 0.28 4.33 0.52 -1.26 -5.13 118.94 114.48 1lob s TRP 19 Ca -0.13 -0.46 0.03 0.00 0.02 0.00 0.00 56.10 55.56 1lob s TRP 19 Cb 0.16 -1.90 -0.06 0.00 -1.15 0.00 0.00 33.47 30.52 1lob s TRP 19 CO 0.78 -0.11 0.05 0.14 0.02 0.00 0.00 176.95 177.83 1lob s VAL 20 N 0.33 0.97 0.06 4.03 -7.23 -1.26 -5.15 120.40 112.16 1lob s VAL 20 Ca -0.07 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1lob s VAL 20 Cb -0.15 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1lob s VAL 20 CO 0.04 -0.10 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.49 1lob s ARG 21 N -3.92 2.19 0.13 4.82 0.52 -1.26 -5.15 118.95 116.28 1lob s ARG 21 Ca 0.35 -0.95 0.10 0.00 -0.52 0.00 0.00 55.73 54.71 1lob s ARG 21 Cb 0.08 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1lob s ARG 21 CO 0.13 0.54 -0.24 0.96 0.02 0.00 0.00 175.30 176.71 1lob s ILE 22 N -1.08 2.46 0.00 1.52 -4.36 -1.26 -5.12 121.20 113.36 1lob s ILE 22 Ca 0.18 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1lob s ILE 22 Cb -0.11 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1lob s ILE 22 CO 0.10 0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.98 1lob n GLY 23 N 0.87 1.17 3.25 6.27 0.00 -1.26 -5.16 105.19 110.33 1lob n GLY 23 Ca -0.17 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.92 1.52 0.07 1.61 0.08 -1.26 -5.15 117.98 111.93 1lob s PHE 24 Ca 0.00 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1lob s PHE 24 Cb 0.00 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1lob s PHE 24 CO 0.00 0.18 -0.05 0.45 -0.10 0.00 0.00 175.22 175.69 1lob s SER 25 N -2.28 0.85 -0.05 1.36 0.15 -1.26 -5.16 113.70 107.31 1lob s SER 25 Ca 0.08 -0.93 -0.30 0.00 0.70 0.00 0.00 55.95 55.50 1lob s SER 25 Cb -0.07 0.12 0.08 0.00 -1.71 0.00 0.00 66.02 64.45 1lob s SER 25 CO 0.04 -0.48 0.73 0.00 1.20 0.00 0.00 173.24 174.73 1lob s ALA 26 N -3.38 -1.78 0.15 5.45 0.00 -1.26 -5.15 121.76 115.78 1lob s ALA 26 Ca 0.07 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.29 1lob s ALA 26 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1lob s ALA 26 CO -0.06 -0.40 0.12 0.95 0.00 0.00 0.00 175.76 176.38 1lob s THR 27 N -1.41 0.07 0.25 0.00 -4.23 -1.26 -5.11 115.64 103.95 1lob s THR 27 Ca -0.08 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1lob s THR 27 Cb -0.00 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 1lob s THR 27 CO 0.07 -0.34 -0.01 0.42 -0.54 0.00 0.00 174.62 174.22 1lob s THR 28 N -4.05 1.18 0.00 3.99 -4.23 -1.26 -4.86 115.64 106.40 1lob s THR 28 Ca 0.25 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1lob s THR 28 Cb 0.06 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1lob s THR 28 CO 0.04 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1lob n GLY 29 N -0.49 3.16 0.19 3.99 0.00 -1.26 -4.94 105.19 105.83 1lob n GLY 29 Ca -0.05 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 1.00 1.04 -1.89 4.61 0.00 -2.07 -3.43 119.26 118.51 1lob h ALA 30 Ca 0.00 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.03 1lob h ALA 30 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1lob h ALA 30 CO 0.00 0.48 -0.51 -1.21 0.00 0.00 0.00 179.25 178.01 1lob s GLU 31 N -3.69 2.49 0.26 0.00 2.02 -1.26 -5.14 118.70 113.38 1lob s GLU 31 Ca -0.00 -1.45 -0.13 0.00 0.02 0.00 0.00 54.97 53.40 1lob s GLU 31 Cb 0.12 -2.28 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 1lob s GLU 31 CO 0.69 0.13 0.51 -0.59 0.02 0.00 0.00 175.26 176.01 1lob s PHE 32 N -2.38 0.33 -0.03 1.61 -0.71 -1.26 -4.64 117.98 110.90 1lob s PHE 32 Ca 0.38 -0.70 -0.29 0.00 -1.04 0.00 0.00 56.93 55.28 1lob s PHE 32 Cb -0.04 0.24 0.11 0.00 -1.21 0.00 0.00 43.02 42.12 1lob s PHE 32 CO 0.24 -1.03 0.90 0.00 -1.34 0.00 0.00 175.22 173.99 1lob s ALA 33 N -3.95 -1.84 0.31 1.99 0.00 -1.26 -5.08 121.76 111.92 1lob s ALA 33 Ca 0.22 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 53.00 1lob s ALA 33 Cb -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 1lob s ALA 33 CO 0.09 -0.64 0.98 0.00 0.00 0.00 0.00 175.76 176.19 1lob s ALA 34 N -2.86 3.25 -0.09 0.00 0.00 -1.26 -4.90 121.76 115.89 1lob s ALA 34 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1lob s ALA 34 Cb -0.01 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1lob s ALA 34 CO -0.07 0.09 -0.08 -1.01 0.00 0.00 0.00 175.76 174.69 1lob s HIS 35 N -1.46 1.38 0.02 0.00 3.76 -1.26 -5.13 115.29 112.59 1lob s HIS 35 Ca 0.48 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1lob s HIS 35 Cb -0.22 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1lob s HIS 35 CO 0.28 -0.41 -0.03 -1.21 -0.85 0.00 0.00 174.74 172.52 1lob s GLU 36 N 1.37 0.31 -0.10 1.40 2.02 -1.26 -5.07 118.70 117.37 1lob s GLU 36 Ca -0.02 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.41 1lob s GLU 36 Cb -0.14 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 1lob s GLU 36 CO -0.04 -0.04 -0.17 0.08 0.02 0.00 0.00 175.26 175.11 1lob s VAL 37 N -1.38 2.75 -0.16 2.63 1.01 -1.26 -5.03 120.40 118.95 1lob s VAL 37 Ca -0.15 -0.79 0.17 0.00 0.00 0.00 0.00 61.98 61.21 1lob s VAL 37 Cb -0.10 -2.10 -0.25 0.00 0.00 0.00 0.00 36.38 33.93 1lob s VAL 37 CO -0.01 0.55 0.22 0.18 0.00 0.00 0.00 175.10 176.04 1lob n LEU 38 N 3.20 0.18 -3.47 3.92 4.32 -1.26 -5.04 117.00 118.86 1lob n LEU 38 Ca -0.18 0.09 -0.11 0.00 -0.02 0.00 0.00 56.01 55.79 1lob n LEU 38 Cb 0.53 0.41 -0.02 0.00 -1.62 0.00 0.00 43.42 42.71 1lob n LEU 38 CO 0.28 0.45 0.45 -0.94 -1.22 0.00 0.00 177.39 176.41 1lob s SER 39 N -5.56 -0.51 -0.19 -1.43 1.04 -1.26 -5.17 113.70 100.62 1lob s SER 39 Ca -0.09 -0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 1lob s SER 39 Cb 0.07 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.82 1lob s SER 39 CO 0.83 -0.94 0.47 0.86 0.98 0.00 0.00 173.24 175.43 1lob s TRP 40 N -3.66 -0.63 -0.04 5.02 -0.00 -1.26 -5.16 118.94 113.21 1lob s TRP 40 Ca 0.02 1.38 0.04 0.00 -0.00 0.00 0.00 56.10 57.55 1lob s TRP 40 Cb -0.01 0.28 -0.00 0.00 -0.00 0.00 0.00 33.47 33.73 1lob s TRP 40 CO -0.11 -0.33 -0.17 -0.47 -0.00 0.00 0.00 176.95 175.87 1lob s TYR 41 N 1.01 1.68 0.00 5.86 5.04 -1.26 -5.15 117.35 124.53 1lob s TYR 41 Ca -0.06 -0.46 -0.01 0.00 -2.44 0.00 0.00 57.07 54.10 1lob s TYR 41 Cb -0.06 -1.13 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 1lob s TYR 41 CO -0.09 -0.15 0.02 0.12 -1.34 0.00 0.00 175.55 174.11 1lob s PHE 42 N -0.02 0.07 -0.06 4.97 5.36 -1.26 -5.15 117.98 121.90 1lob s PHE 42 Ca -0.02 -0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1lob s PHE 42 Cb -0.11 -0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.55 1lob s PHE 42 CO 0.02 -0.10 0.14 -1.58 -1.46 0.00 0.00 175.22 172.24 1lob s HIS 43 N -0.61 -0.15 0.15 10.12 5.65 -1.26 -5.17 115.29 124.02 1lob s HIS 43 Ca -0.07 0.46 0.03 0.00 0.25 0.00 0.00 55.06 55.74 1lob s HIS 43 Cb -0.04 -0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.22 1lob s HIS 43 CO -0.00 -0.16 -0.07 -1.54 -0.65 0.00 0.00 174.74 172.31 1lob s SER 44 N 1.16 1.58 -0.15 9.88 1.04 -1.26 -5.15 113.70 120.80 1lob s SER 44 Ca -0.09 -1.05 -0.10 0.00 0.48 0.00 0.00 55.95 55.19 1lob s SER 44 Cb -0.12 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.08 1lob s SER 44 CO -0.06 -0.41 0.37 -1.83 0.98 0.00 0.00 173.24 172.30 1lob s GLU 45 N -3.80 0.39 -0.08 4.02 -1.05 -1.26 -5.14 118.70 111.78 1lob s GLU 45 Ca 0.17 0.64 0.02 0.00 -0.15 0.00 0.00 54.97 55.65 1lob s GLU 45 Cb 0.04 0.07 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1lob s GLU 45 CO 0.00 -0.11 -0.11 -1.17 0.95 0.00 0.00 175.26 174.82 1lob s LEU 46 N 0.85 1.54 0.36 1.83 2.96 -1.26 -5.13 118.68 119.83 1lob s LEU 46 Ca -0.05 -0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.30 1lob s LEU 46 Cb -0.06 -0.85 -0.09 0.00 0.50 0.00 0.00 46.19 45.69 1lob s LEU 46 CO -0.06 -0.01 1.01 0.00 -1.32 0.00 0.00 176.35 175.97 1lob s ALA 47 N 0.94 3.16 -1.13 5.97 0.00 -1.26 -5.38 121.76 124.06 1lob s ALA 47 Ca -0.09 0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1lob s ALA 47 Cb -0.15 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.80 1lob s ALA 47 CO 0.00 -0.05 0.79 0.41 0.00 0.00 0.00 175.76 176.91