#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lof s THR 2 N 0.00 0.53 0.16 6.31 -1.32 -1.26 -5.15 115.64 114.91 1lof s THR 2 Ca 0.00 -0.16 0.10 0.00 -1.21 0.00 0.00 61.69 60.42 1lof s THR 2 Cb 0.00 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1lof s THR 2 CO 0.00 0.21 -0.22 -0.44 -2.21 0.00 0.00 174.62 171.96 1lof s SER 3 N 0.69 3.03 -0.02 8.08 0.01 -1.26 -5.14 113.70 119.09 1lof s SER 3 Ca -0.09 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.36 1lof s SER 3 Cb -0.12 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.92 1lof s SER 3 CO 0.00 0.07 -0.03 -0.31 0.41 0.00 0.00 173.24 173.38 1lof s TYR 4 N -1.63 0.38 0.05 2.43 1.51 -1.26 -5.15 117.35 113.67 1lof s TYR 4 Ca 0.16 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1lof s TYR 4 Cb -0.08 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.42 1lof s TYR 4 CO 0.07 -0.06 -0.12 0.99 -1.11 0.00 0.00 175.55 175.33 1lof s THR 5 N 0.35 0.90 -0.01 -0.71 2.01 -1.26 -5.15 115.64 111.77 1lof s THR 5 Ca -0.03 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.82 1lof s THR 5 Cb -0.07 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1lof s THR 5 CO -0.01 -0.19 0.12 -0.22 -0.69 0.00 0.00 174.62 173.64 1lof s LEU 6 N -1.42 1.61 0.02 4.42 2.96 -1.26 -5.16 118.68 119.85 1lof s LEU 6 Ca -0.03 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1lof s LEU 6 Cb -0.09 0.56 -0.02 0.00 0.50 0.00 0.00 46.19 47.14 1lof s LEU 6 CO 0.01 -0.28 -0.05 0.20 -1.32 0.00 0.00 176.35 174.91 1lof s ASN 7 N -1.01 0.54 -0.13 3.68 0.01 -1.26 -5.16 114.94 111.62 1lof s ASN 7 Ca -0.11 -0.42 -0.27 0.00 -0.71 0.00 0.00 52.86 51.36 1lof s ASN 7 Cb -0.06 0.04 0.06 0.00 0.41 0.00 0.00 41.25 41.70 1lof s ASN 7 CO 0.01 -0.18 0.65 -0.70 -1.51 0.00 0.00 177.10 175.37 1lof s GLU 8 N -1.18 0.92 -0.17 -0.60 2.56 -1.26 -5.11 118.70 113.85 1lof s GLU 8 Ca -0.09 0.51 -0.19 0.00 0.00 0.00 0.00 54.97 55.21 1lof s GLU 8 Cb -0.08 0.44 -0.03 0.00 2.00 0.00 0.00 34.13 36.45 1lof s GLU 8 CO -0.00 -0.22 0.52 0.08 -0.56 0.00 0.00 175.26 175.08 1lof s VAL 9 N -0.54 5.12 -0.18 3.70 1.01 -1.26 -5.02 120.40 123.23 1lof s VAL 9 Ca -0.07 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 1lof s VAL 9 Cb -0.02 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.58 1lof s VAL 9 CO 0.06 0.22 0.12 0.54 0.00 0.00 0.00 175.10 176.04 1lof s VAL 10 N 1.36 -0.15 -0.96 2.92 0.11 -1.26 -5.09 120.40 117.33 1lof s VAL 10 Ca 0.25 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.93 1lof s VAL 10 Cb -0.15 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1lof s VAL 10 CO 0.10 -0.25 1.59 -2.16 -3.33 0.00 0.00 175.10 171.05 1lof s PRO 11 N 2.19 3.25 0.24 1.54 0.04 -1.26 -4.89 135.00 136.11 1lof s PRO 11 Ca 0.03 -0.79 -0.04 0.00 0.04 0.00 0.00 61.00 60.24 1lof s PRO 11 Cb -0.16 -5.18 0.46 0.00 0.04 0.00 0.00 34.50 29.66 1lof s PRO 11 CO -0.10 -2.55 1.72 -0.07 0.04 0.00 0.00 177.00 176.05 1lof h LEU 12 N 14.34 0.25 0.00 -3.56 3.38 -1.98 -1.43 115.31 126.31 1lof h LEU 12 Ca 0.13 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1lof h LEU 12 Cb 1.01 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1lof h LEU 12 CO 1.35 0.09 0.00 2.29 0.09 0.00 0.00 178.44 182.26 1lof n LYS 13 N -5.02 0.06 0.08 1.13 2.85 -1.26 -0.20 118.16 115.80 1lof n LYS 13 Ca 0.14 0.24 0.03 0.00 -1.05 0.00 0.00 58.31 57.67 1lof n LYS 13 Cb 0.42 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 1lof n LYS 13 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1lof h GLU 14 N 0.00 0.00 0.00 -1.58 4.39 -1.67 -3.41 114.58 112.31 1lof h GLU 14 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lof h GLU 14 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1lof h GLU 14 CO 0.00 0.31 -1.08 1.19 -1.16 0.00 0.00 179.01 178.26 1lof n PHE 15 N -2.97 0.00 -4.36 4.33 3.72 0.72 -5.06 117.46 113.84 1lof n PHE 15 Ca -0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 1lof n PHE 15 Cb 0.76 -0.06 -0.11 0.00 -0.94 0.00 0.00 39.48 39.12 1lof n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1lof s VAL 16 N -2.16 1.96 1.23 -4.37 -7.23 -0.51 -5.11 120.40 104.21 1lof s VAL 16 Ca -0.01 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 1lof s VAL 16 Cb 0.02 -1.92 0.30 0.00 0.56 0.00 0.00 36.38 35.34 1lof s VAL 16 CO 0.12 -0.28 1.01 -2.84 -0.31 0.00 0.00 175.10 172.81 1lof s PRO 17 N -2.80 -1.47 0.32 4.82 0.02 -1.26 -4.74 135.00 129.90 1lof s PRO 17 Ca 0.17 0.48 0.02 0.00 0.02 0.00 0.00 61.00 61.69 1lof s PRO 17 Cb -0.06 -1.52 0.55 0.00 0.02 0.00 0.00 34.50 33.49 1lof s PRO 17 CO 0.08 -3.99 1.90 0.93 -0.33 0.00 0.00 177.00 175.58 1lof h GLU 18 N -2.80 0.71 -5.28 5.54 5.08 -1.99 -3.41 114.58 112.43 1lof h GLU 18 Ca -0.55 -0.11 -0.66 0.00 -1.00 0.00 0.00 59.36 57.04 1lof h GLU 18 Cb 1.33 -0.12 -0.28 0.00 0.50 0.00 0.00 28.75 30.18 1lof h GLU 18 CO 0.44 0.61 -0.78 -1.58 -1.00 0.00 0.00 179.01 176.69 1lof s TRP 19 N -5.28 2.78 0.30 4.33 0.52 -1.26 -5.13 118.94 115.21 1lof s TRP 19 Ca -0.09 -0.78 0.03 0.00 0.02 0.00 0.00 56.10 55.28 1lof s TRP 19 Cb 0.16 -1.85 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1lof s TRP 19 CO 0.78 -0.30 0.09 0.14 0.02 0.00 0.00 176.95 177.68 1lof s VAL 20 N 0.48 0.79 0.03 4.03 -7.23 -1.26 -5.15 120.40 112.10 1lof s VAL 20 Ca -0.10 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.16 1lof s VAL 20 Cb -0.16 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1lof s VAL 20 CO 0.05 0.00 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.45 1lof s ARG 21 N -3.94 1.85 0.22 4.82 0.52 -1.26 -5.15 118.95 116.01 1lof s ARG 21 Ca 0.36 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1lof s ARG 21 Cb 0.08 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1lof s ARG 21 CO 0.15 0.52 0.06 0.96 0.02 0.00 0.00 175.30 177.00 1lof s ILE 22 N -0.76 3.87 -0.03 1.52 -4.36 -1.26 -5.12 121.20 115.07 1lof s ILE 22 Ca 0.11 -1.54 -0.10 0.00 -0.26 0.00 0.00 60.65 58.86 1lof s ILE 22 Cb -0.10 -3.02 0.03 0.00 1.25 0.00 0.00 42.46 40.62 1lof s ILE 22 CO 0.01 -0.25 0.46 0.61 0.24 0.00 0.00 174.94 176.01 1lof n GLY 23 N -0.62 0.31 3.56 6.27 0.00 -1.26 -5.16 105.19 108.29 1lof n GLY 23 Ca -0.08 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1lof n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lof s PHE 24 N -2.08 2.65 0.11 1.61 0.08 -1.26 -5.16 117.98 113.93 1lof s PHE 24 Ca 0.11 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1lof s PHE 24 Cb -0.00 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1lof s PHE 24 CO -0.01 0.47 -0.04 -1.54 -0.10 0.00 0.00 175.22 174.01 1lof s SER 25 N -2.58 1.02 -0.16 1.36 1.04 -1.26 -5.16 113.70 107.96 1lof s SER 25 Ca 0.23 -1.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 1lof s SER 25 Cb -0.10 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1lof s SER 25 CO 0.14 -0.53 0.51 0.00 0.98 0.00 0.00 173.24 174.34 1lof s ALA 26 N -3.70 -1.26 0.18 5.32 0.00 -1.26 -5.15 121.76 115.89 1lof s ALA 26 Ca 0.15 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1lof s ALA 26 Cb 0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 1lof s ALA 26 CO -0.03 -0.26 -0.08 0.95 0.00 0.00 0.00 175.76 176.35 1lof s THR 27 N -0.08 1.22 0.29 0.00 -4.23 -1.26 -5.12 115.64 106.45 1lof s THR 27 Ca -0.03 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1lof s THR 27 Cb -0.03 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1lof s THR 27 CO 0.02 -0.59 0.11 0.42 -0.54 0.00 0.00 174.62 174.04 1lof s THR 28 N -3.30 0.57 0.00 3.99 -4.23 -1.26 -4.87 115.64 106.54 1lof s THR 28 Ca 0.21 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1lof s THR 28 Cb 0.03 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1lof s THR 28 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1lof n GLY 29 N -0.55 3.02 0.26 3.99 0.00 -1.26 -4.97 105.19 105.68 1lof n GLY 29 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1lof n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lof h ALA 30 N 1.43 0.53 -2.14 4.61 0.00 -2.08 -3.43 119.26 118.19 1lof h ALA 30 Ca 0.00 -0.46 -0.49 0.00 0.00 0.00 0.00 54.91 53.96 1lof h ALA 30 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1lof h ALA 30 CO 0.00 0.65 -0.48 -2.00 0.00 0.00 0.00 179.25 177.42 1lof s GLU 31 N -4.33 3.07 0.27 0.00 2.12 -1.26 -5.13 118.70 113.44 1lof s GLU 31 Ca -0.11 -0.99 -0.16 0.00 0.36 0.00 0.00 54.97 54.07 1lof s GLU 31 Cb 0.11 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.83 1lof s GLU 31 CO 0.88 0.36 0.59 -0.59 -0.54 0.00 0.00 175.26 175.96 1lof s PHE 32 N -2.11 0.16 -0.12 5.30 -0.12 -1.26 -4.73 117.98 115.10 1lof s PHE 32 Ca 0.35 -0.57 -0.31 0.00 -0.05 0.00 0.00 56.93 56.35 1lof s PHE 32 Cb -0.08 0.41 0.13 0.00 -0.63 0.00 0.00 43.02 42.85 1lof s PHE 32 CO 0.27 -1.12 1.05 0.00 -0.05 0.00 0.00 175.22 175.37 1lof s ALA 33 N -3.88 -1.95 0.24 1.99 0.00 -1.26 -5.07 121.76 111.83 1lof s ALA 33 Ca 0.18 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 1lof s ALA 33 Cb -0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1lof s ALA 33 CO 0.09 -0.55 0.89 0.00 0.00 0.00 0.00 175.76 176.19 1lof s ALA 34 N -2.31 3.34 -0.20 0.00 0.00 -1.26 -4.92 121.76 116.40 1lof s ALA 34 Ca 0.05 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1lof s ALA 34 Cb -0.01 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 20.04 1lof s ALA 34 CO -0.05 0.23 -0.08 -1.01 0.00 0.00 0.00 175.76 174.85 1lof s HIS 35 N -1.31 2.25 0.19 0.00 3.76 -1.26 -5.13 115.29 113.79 1lof s HIS 35 Ca 0.42 -1.52 0.06 0.00 -0.15 0.00 0.00 55.06 53.87 1lof s HIS 35 Cb -0.23 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1lof s HIS 35 CO 0.28 -0.72 -0.10 -1.21 -0.85 0.00 0.00 174.74 172.14 1lof s GLU 36 N 1.45 1.24 -0.04 1.40 2.02 -1.26 -5.05 118.70 118.47 1lof s GLU 36 Ca -0.02 -1.56 0.06 0.00 0.02 0.00 0.00 54.97 53.47 1lof s GLU 36 Cb -0.17 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 1lof s GLU 36 CO -0.08 0.09 -0.23 0.08 0.02 0.00 0.00 175.26 175.14 1lof s VAL 37 N -3.19 1.85 -0.04 2.63 1.01 -1.26 -5.04 120.40 116.37 1lof s VAL 37 Ca 0.22 -0.98 0.15 0.00 0.00 0.00 0.00 61.98 61.37 1lof s VAL 37 Cb 0.02 -1.56 -0.23 0.00 0.00 0.00 0.00 36.38 34.61 1lof s VAL 37 CO 0.05 0.52 0.30 0.18 0.00 0.00 0.00 175.10 176.15 1lof n LEU 38 N 2.75 0.00 -3.51 3.92 4.32 -1.26 -5.03 117.00 118.20 1lof n LEU 38 Ca -0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.72 1lof n LEU 38 Cb 0.52 0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 1lof n LEU 38 CO 0.24 0.05 0.51 -0.94 -1.22 0.00 0.00 177.39 176.03 1lof s SER 39 N -3.92 -0.46 -0.09 -1.43 1.04 -1.26 -5.17 113.70 102.41 1lof s SER 39 Ca -0.06 -0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 1lof s SER 39 Cb 0.09 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1lof s SER 39 CO 0.64 -0.90 0.27 0.86 0.98 0.00 0.00 173.24 175.08 1lof s TRP 40 N -3.56 -0.28 0.02 5.02 -0.00 -1.26 -5.16 118.94 113.71 1lof s TRP 40 Ca 0.04 0.68 0.03 0.00 -0.00 0.00 0.00 56.10 56.85 1lof s TRP 40 Cb -0.02 0.10 -0.02 0.00 -0.00 0.00 0.00 33.47 33.54 1lof s TRP 40 CO -0.09 -0.16 -0.10 -0.47 -0.00 0.00 0.00 176.95 176.13 1lof s TYR 41 N 0.01 0.84 0.00 5.86 5.04 -1.26 -5.16 117.35 122.69 1lof s TYR 41 Ca -0.01 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.23 1lof s TYR 41 Cb -0.02 -0.51 0.01 0.00 0.35 0.00 0.00 41.96 41.78 1lof s TYR 41 CO 0.01 -0.01 0.18 0.12 -1.34 0.00 0.00 175.55 174.50 1lof s PHE 42 N -0.72 -0.00 -0.20 4.97 5.36 -1.26 -5.15 117.98 120.97 1lof s PHE 42 Ca -0.01 -0.07 -0.09 0.00 -0.96 0.00 0.00 56.93 55.80 1lof s PHE 42 Cb -0.06 -0.02 0.08 0.00 -0.34 0.00 0.00 43.02 42.68 1lof s PHE 42 CO 0.00 -0.33 0.46 -1.58 -1.46 0.00 0.00 175.22 172.31 1lof s HIS 43 N -1.51 -0.77 0.20 10.12 5.65 -1.26 -5.17 115.29 122.55 1lof s HIS 43 Ca -0.13 1.53 0.08 0.00 0.25 0.00 0.00 55.06 56.79 1lof s HIS 43 Cb -0.06 0.35 -0.05 0.00 -1.18 0.00 0.00 32.58 31.64 1lof s HIS 43 CO 0.02 -0.44 -0.15 -1.54 -0.65 0.00 0.00 174.74 171.98 1lof s SER 44 N 2.00 2.59 -0.21 9.88 1.04 -1.26 -5.13 113.70 122.61 1lof s SER 44 Ca -0.06 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 1lof s SER 44 Cb -0.10 -0.14 0.10 0.00 0.10 0.00 0.00 66.02 65.98 1lof s SER 44 CO -0.14 -0.16 0.42 -0.70 0.98 0.00 0.00 173.24 173.64 1lof s GLU 45 N -3.62 0.34 -0.14 4.02 2.12 -1.26 -5.15 118.70 115.00 1lof s GLU 45 Ca 0.22 1.00 0.02 0.00 0.36 0.00 0.00 54.97 56.57 1lof s GLU 45 Cb -0.01 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.66 1lof s GLU 45 CO 0.07 -0.30 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.12 1lof s LEU 46 N 2.62 2.21 0.05 2.70 2.96 -1.26 -5.02 118.68 122.94 1lof s LEU 46 Ca 0.00 -0.57 -0.32 0.00 -0.22 0.00 0.00 54.13 53.02 1lof s LEU 46 Cb -0.12 -1.48 -0.17 0.00 0.50 0.00 0.00 46.19 44.92 1lof s LEU 46 CO -0.13 0.08 1.48 0.00 -1.32 0.00 0.00 176.35 176.46 1lof h ALA 47 N 7.33 -1.28 -6.08 5.97 0.00 -1.82 -3.46 119.26 119.91 1lof h ALA 47 Ca -0.33 -0.24 -0.42 0.00 0.00 0.00 0.00 54.91 53.93 1lof h ALA 47 Cb 1.19 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 19.28 1lof h ALA 47 CO 0.56 -1.21 -0.62 0.41 0.00 0.00 0.00 179.25 178.39 1lof n GLY 48 N -1.56 -0.46 1.42 0.00 0.00 -1.26 -4.48 105.19 98.85 1lof n GLY 48 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1lof n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1lof n THR 49 N -3.84 0.00 0.00 2.61 5.66 -1.26 -5.09 114.28 112.36 1lof n THR 49 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1lof n THR 49 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1lof n THR 49 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1lof n SER 50 N -2.07 0.00 0.00 1.09 2.88 -1.26 -5.06 113.62 109.20 1lof n SER 50 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1lof n SER 50 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1lof n SER 50 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1lof n SER 51 N -1.07 0.00 -0.53 -3.46 7.64 -1.26 -5.04 113.62 109.90 1lof n SER 51 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1lof n SER 51 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1lof n SER 51 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57