#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loe s SER 3 N 0.00 1.56 -0.04 8.00 0.15 -1.26 -5.14 113.70 116.97 1loe s SER 3 Ca 0.00 -0.53 -0.00 0.00 0.70 0.00 0.00 55.95 56.12 1loe s SER 3 Cb 0.00 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1loe s SER 3 CO 0.00 -0.04 -0.00 -0.31 1.20 0.00 0.00 173.24 174.08 1loe s TYR 4 N -1.09 0.48 0.02 3.44 1.51 -1.26 -5.16 117.35 115.29 1loe s TYR 4 Ca -0.01 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 1loe s TYR 4 Cb -0.09 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 1loe s TYR 4 CO 0.02 -0.20 -0.13 0.95 -1.11 0.00 0.00 175.55 175.08 1loe s THR 5 N 1.32 1.06 -0.04 -0.71 -4.23 -1.26 -5.14 115.64 106.64 1loe s THR 5 Ca -0.05 -0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 1loe s THR 5 Cb -0.13 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.79 1loe s THR 5 CO -0.02 0.11 0.10 -0.22 -0.54 0.00 0.00 174.62 174.05 1loe s LEU 6 N -0.81 1.46 -0.02 4.79 2.96 -1.26 -5.16 118.68 120.64 1loe s LEU 6 Ca 0.03 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1loe s LEU 6 Cb -0.07 0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.95 1loe s LEU 6 CO 0.01 -0.06 -0.02 0.20 -1.32 0.00 0.00 176.35 175.16 1loe s ASN 7 N 0.29 0.41 -0.18 3.68 -0.87 -1.26 -5.15 114.94 111.86 1loe s ASN 7 Ca -0.02 -0.05 -0.23 0.00 -1.57 0.00 0.00 52.86 51.00 1loe s ASN 7 Cb -0.03 -0.14 0.06 0.00 -0.02 0.00 0.00 41.25 41.11 1loe s ASN 7 CO -0.01 -0.03 0.60 -1.61 -2.57 0.00 0.00 177.10 173.48 1loe s GLU 8 N 0.49 0.77 -0.29 -0.60 0.41 -1.26 -5.11 118.70 113.11 1loe s GLU 8 Ca -0.05 0.67 -0.27 0.00 -0.41 0.00 0.00 54.97 54.92 1loe s GLU 8 Cb -0.08 0.37 0.01 0.00 -1.78 0.00 0.00 34.13 32.65 1loe s GLU 8 CO -0.01 -0.13 0.94 0.08 -0.49 0.00 0.00 175.26 175.65 1loe s VAL 9 N -0.06 4.68 -0.31 2.63 1.01 -1.26 -5.00 120.40 122.09 1loe s VAL 9 Ca -0.03 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1loe s VAL 9 Cb -0.04 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.18 1loe s VAL 9 CO 0.03 -0.29 0.08 -0.69 0.00 0.00 0.00 175.10 174.22 1loe s VAL 10 N 3.22 1.20 -1.09 2.92 1.01 -1.26 -5.08 120.40 121.33 1loe s VAL 10 Ca 0.39 -1.56 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1loe s VAL 10 Cb -0.14 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1loe s VAL 10 CO 0.12 -0.61 1.71 -2.16 0.00 0.00 0.00 175.10 174.16 1loe s PRO 11 N 1.46 3.27 0.54 2.72 0.04 -1.26 -4.82 135.00 136.95 1loe s PRO 11 Ca 0.09 -1.14 0.32 0.00 0.04 0.00 0.00 61.00 60.30 1loe s PRO 11 Cb -0.18 -5.31 1.48 0.00 0.04 0.00 0.00 34.50 30.53 1loe s PRO 11 CO -0.20 -2.78 1.88 -0.07 0.04 0.00 0.00 177.00 175.87 1loe h LEU 12 N 14.73 0.00 -1.92 -3.56 4.07 -1.99 -0.40 115.31 126.24 1loe h LEU 12 Ca 0.24 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.32 1loe h LEU 12 Cb 0.96 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 1loe h LEU 12 CO 1.35 0.00 0.32 0.50 -1.08 0.00 0.00 178.44 179.54 1loe h LYS 13 N 0.00 0.08 -0.00 1.13 3.64 -1.88 -2.45 116.57 117.10 1loe h LYS 13 Ca 0.41 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.62 1loe h LYS 13 Cb 1.69 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.47 1loe h LYS 13 CO -0.00 0.05 -0.78 0.93 -2.27 0.00 0.00 179.45 177.38 1loe h GLU 14 N 0.09 0.00 0.00 1.90 4.39 -1.47 -3.39 114.58 116.09 1loe h GLU 14 Ca 0.22 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 1loe h GLU 14 Cb 0.75 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1loe h GLU 14 CO -0.02 0.78 -1.51 1.19 -1.16 0.00 0.00 179.01 178.29 1loe n PHE 15 N -3.61 0.00 -4.42 4.33 3.72 -1.01 -5.05 117.46 111.42 1loe n PHE 15 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 1loe n PHE 15 Cb 0.76 -0.35 -0.11 0.00 -0.94 0.00 0.00 39.48 38.84 1loe n PHE 15 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1loe s VAL 16 N -2.31 2.46 0.95 -4.37 1.01 -0.95 -5.13 120.40 112.05 1loe s VAL 16 Ca -0.04 -2.08 -0.12 0.00 0.00 0.00 0.00 61.98 59.74 1loe s VAL 16 Cb 0.03 -2.21 0.16 0.00 0.00 0.00 0.00 36.38 34.36 1loe s VAL 16 CO 0.34 -0.18 1.09 -2.84 0.00 0.00 0.00 175.10 173.51 1loe s PRO 17 N -2.87 0.82 0.33 2.72 0.02 -1.26 -4.78 135.00 129.97 1loe s PRO 17 Ca 0.23 0.81 0.01 0.00 0.02 0.00 0.00 61.00 62.08 1loe s PRO 17 Cb -0.07 -1.76 0.57 0.00 0.02 0.00 0.00 34.50 33.25 1loe s PRO 17 CO 0.11 -2.54 1.95 0.93 -0.33 0.00 0.00 177.00 177.13 1loe h GLU 18 N -1.77 0.82 -5.79 5.54 5.08 -1.98 -3.40 114.58 113.09 1loe h GLU 18 Ca -0.51 -0.08 -0.67 0.00 -1.00 0.00 0.00 59.36 57.09 1loe h GLU 18 Cb 1.30 -0.17 -0.25 0.00 0.50 0.00 0.00 28.75 30.13 1loe h GLU 18 CO 0.54 0.61 -0.76 -1.58 -1.00 0.00 0.00 179.01 176.82 1loe s TRP 19 N -5.56 2.78 0.15 4.33 0.52 -1.26 -5.13 118.94 114.78 1loe s TRP 19 Ca -0.10 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.67 1loe s TRP 19 Cb 0.17 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1loe s TRP 19 CO 0.77 -0.00 -0.05 0.14 0.02 0.00 0.00 176.95 177.83 1loe s VAL 20 N -0.17 0.91 0.06 4.03 -7.23 -1.26 -5.15 120.40 111.59 1loe s VAL 20 Ca 0.00 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1loe s VAL 20 Cb -0.13 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1loe s VAL 20 CO 0.03 -0.66 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.89 1loe s ARG 21 N -3.83 2.13 0.14 4.82 0.52 -1.26 -5.15 118.95 116.33 1loe s ARG 21 Ca 0.19 -0.97 0.09 0.00 -0.52 0.00 0.00 55.73 54.52 1loe s ARG 21 Cb 0.04 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 1loe s ARG 21 CO 0.01 0.54 -0.15 0.96 0.02 0.00 0.00 175.30 176.68 1loe s ILE 22 N -1.03 2.99 -0.19 1.52 -4.36 -1.26 -5.12 121.20 113.74 1loe s ILE 22 Ca 0.17 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1loe s ILE 22 Cb -0.11 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.19 1loe s ILE 22 CO 0.08 0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1loe n GLY 23 N 0.48 -1.02 3.39 6.27 0.00 -1.26 -5.16 105.19 107.89 1loe n GLY 23 Ca -0.13 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1loe n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1loe s PHE 24 N -3.00 2.38 0.03 1.61 0.08 -1.26 -5.15 117.98 112.67 1loe s PHE 24 Ca 0.00 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1loe s PHE 24 Cb 0.00 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1loe s PHE 24 CO 0.00 0.25 -0.09 0.45 -0.10 0.00 0.00 175.22 175.73 1loe s SER 25 N -1.64 1.02 -0.02 1.36 0.15 -1.26 -5.16 113.70 108.14 1loe s SER 25 Ca 0.14 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.23 1loe s SER 25 Cb -0.10 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1loe s SER 25 CO 0.05 -0.05 0.39 0.00 1.20 0.00 0.00 173.24 174.82 1loe s ALA 26 N -0.82 -0.98 0.06 5.45 0.00 -1.26 -5.17 121.76 119.03 1loe s ALA 26 Ca -0.03 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 1loe s ALA 26 Cb -0.07 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1loe s ALA 26 CO 0.00 -0.28 -0.04 0.95 0.00 0.00 0.00 175.76 176.40 1loe s THR 27 N -1.27 0.28 0.23 0.00 -4.23 -1.26 -5.14 115.64 104.26 1loe s THR 27 Ca -0.13 -1.80 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1loe s THR 27 Cb -0.04 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 1loe s THR 27 CO 0.05 -0.97 -0.07 0.42 -0.54 0.00 0.00 174.62 173.52 1loe s THR 28 N -3.81 1.42 0.00 3.99 -4.23 -1.26 -4.88 115.64 106.87 1loe s THR 28 Ca 0.07 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1loe s THR 28 Cb 0.07 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1loe s THR 28 CO -0.09 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 1loe n GLY 29 N -0.43 2.79 0.22 3.99 0.00 -1.26 -5.00 105.19 105.49 1loe n GLY 29 Ca -0.07 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1loe n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loe h ALA 30 N 1.00 0.37 -2.44 4.61 0.00 -2.07 -3.42 119.26 117.31 1loe h ALA 30 Ca 0.00 -0.59 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 1loe h ALA 30 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1loe h ALA 30 CO 0.00 0.69 -0.20 -1.21 0.00 0.00 0.00 179.25 178.53 1loe s GLU 31 N -3.78 3.58 0.20 0.00 2.02 -1.26 -5.11 118.70 114.35 1loe s GLU 31 Ca -0.10 -0.13 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 1loe s GLU 31 Cb 0.09 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1loe s GLU 31 CO 0.90 0.26 0.37 -0.59 0.02 0.00 0.00 175.26 176.21 1loe s PHE 32 N -2.05 0.40 0.15 1.61 -0.12 -1.26 -4.82 117.98 111.89 1loe s PHE 32 Ca 0.42 -0.74 -0.20 0.00 -0.05 0.00 0.00 56.93 56.35 1loe s PHE 32 Cb -0.11 0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1loe s PHE 32 CO 0.30 -0.84 0.53 0.00 -0.05 0.00 0.00 175.22 175.17 1loe s ALA 33 N -3.99 -1.32 0.18 1.99 0.00 -1.26 -5.05 121.76 112.31 1loe s ALA 33 Ca 0.20 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 1loe s ALA 33 Cb 0.02 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.88 1loe s ALA 33 CO 0.04 -0.74 0.68 0.00 0.00 0.00 0.00 175.76 175.74 1loe s ALA 34 N -3.78 3.47 -0.17 0.00 0.00 -1.26 -4.95 121.76 115.08 1loe s ALA 34 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1loe s ALA 34 Cb -0.00 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1loe s ALA 34 CO -0.11 0.36 -0.10 -1.01 0.00 0.00 0.00 175.76 174.89 1loe s HIS 35 N -1.41 2.05 0.04 0.00 3.76 -1.26 -5.13 115.29 113.35 1loe s HIS 35 Ca 0.39 -1.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.08 1loe s HIS 35 Cb -0.18 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 1loe s HIS 35 CO 0.21 -0.66 -0.10 -1.21 -0.85 0.00 0.00 174.74 172.12 1loe s GLU 36 N 1.52 0.67 -0.08 1.40 2.02 -1.26 -5.06 118.70 117.90 1loe s GLU 36 Ca 0.02 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1loe s GLU 36 Cb -0.15 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.51 1loe s GLU 36 CO -0.09 0.12 -0.19 0.08 0.02 0.00 0.00 175.26 175.21 1loe s VAL 37 N -1.13 2.59 -0.04 2.63 1.01 -1.26 -5.03 120.40 119.16 1loe s VAL 37 Ca -0.05 -0.86 0.20 0.00 0.00 0.00 0.00 61.98 61.28 1loe s VAL 37 Cb -0.09 -2.01 -0.31 0.00 0.00 0.00 0.00 36.38 33.97 1loe s VAL 37 CO 0.01 0.56 0.41 0.18 0.00 0.00 0.00 175.10 176.25 1loe n LEU 38 N 3.06 0.00 -3.43 3.92 4.32 -1.26 -5.03 117.00 118.58 1loe n LEU 38 Ca -0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.69 1loe n LEU 38 Cb 0.52 0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 1loe n LEU 38 CO 0.27 0.05 0.42 -0.94 -1.22 0.00 0.00 177.39 175.98 1loe s SER 39 N -4.45 -0.56 -0.18 -1.43 1.04 -1.26 -5.17 113.70 101.69 1loe s SER 39 Ca -0.08 0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.30 1loe s SER 39 Cb 0.12 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.88 1loe s SER 39 CO 0.84 -0.92 0.44 0.86 0.98 0.00 0.00 173.24 175.44 1loe s TRP 40 N -3.53 -0.65 -0.02 5.02 -0.00 -1.26 -5.15 118.94 113.35 1loe s TRP 40 Ca 0.00 1.38 0.06 0.00 -0.00 0.00 0.00 56.10 57.54 1loe s TRP 40 Cb -0.01 0.30 -0.01 0.00 -0.00 0.00 0.00 33.47 33.75 1loe s TRP 40 CO -0.11 -0.36 -0.19 -0.47 -0.00 0.00 0.00 176.95 175.81 1loe s TYR 41 N 1.42 1.76 -0.03 5.86 5.04 -1.26 -5.15 117.35 124.99 1loe s TYR 41 Ca -0.10 -0.35 -0.07 0.00 -2.44 0.00 0.00 57.07 54.12 1loe s TYR 41 Cb -0.08 -1.13 0.01 0.00 0.35 0.00 0.00 41.96 41.10 1loe s TYR 41 CO -0.13 -0.04 0.15 0.12 -1.34 0.00 0.00 175.55 174.31 1loe s PHE 42 N -0.42 -0.06 -0.16 4.97 5.36 -1.26 -5.16 117.98 121.24 1loe s PHE 42 Ca 0.07 0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 56.04 1loe s PHE 42 Cb -0.08 0.00 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 1loe s PHE 42 CO -0.00 -0.20 0.42 -1.58 -1.46 0.00 0.00 175.22 172.40 1loe s HIS 43 N -0.71 -0.52 0.05 10.12 5.65 -1.26 -5.17 115.29 123.45 1loe s HIS 43 Ca -0.08 1.20 -0.01 0.00 0.25 0.00 0.00 55.06 56.43 1loe s HIS 43 Cb -0.05 0.20 -0.04 0.00 -1.18 0.00 0.00 32.58 31.52 1loe s HIS 43 CO 0.01 -0.27 -0.03 -1.54 -0.65 0.00 0.00 174.74 172.26 1loe s SER 44 N 0.66 0.52 -0.12 9.88 1.04 -1.26 -5.14 113.70 119.28 1loe s SER 44 Ca -0.04 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 1loe s SER 44 Cb -0.05 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1loe s SER 44 CO -0.04 -0.58 0.17 -0.70 0.98 0.00 0.00 173.24 173.07 1loe s GLU 45 N -3.81 0.08 -0.34 4.02 -6.30 -1.26 -5.11 118.70 105.98 1loe s GLU 45 Ca 0.06 0.41 -0.09 0.00 -2.50 0.00 0.00 54.97 52.86 1loe s GLU 45 Cb 0.07 -0.66 0.02 0.00 0.00 0.00 0.00 34.13 33.56 1loe s GLU 45 CO -0.09 -0.43 0.14 -1.17 0.02 0.00 0.00 175.26 173.73 1loe s LEU 46 N 2.29 4.34 0.00 2.70 2.96 -1.26 -5.36 118.68 124.35 1loe s LEU 46 Ca 0.04 -0.92 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 1loe s LEU 46 Cb -0.13 -1.94 0.13 0.00 0.50 0.00 0.00 46.19 44.74 1loe s LEU 46 CO -0.08 -0.30 0.62 0.00 -1.32 0.00 0.00 176.35 175.27