#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q n SER 2 N 0.00 -0.71 0.00 1.61 3.41 -1.26 -5.14 113.62 111.53 1p4q n SER 2 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1p4q n SER 2 Cb 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 1p4q n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4q n GLY 3 N -1.10 0.86 3.56 5.00 0.00 -1.26 -5.09 105.19 107.16 1p4q n GLY 3 Ca 0.00 0.47 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 1p4q n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4q s SER 4 N 0.00 5.87 0.00 1.61 0.01 -1.26 -4.71 113.70 115.22 1p4q s SER 4 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1p4q s SER 4 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1p4q s SER 4 CO 0.00 -2.07 0.00 0.61 0.41 0.00 0.00 173.24 172.19 1p4q n GLY 5 N 6.63 -0.81 3.83 3.44 0.00 -1.26 -5.17 105.19 111.86 1p4q n GLY 5 Ca 0.32 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 1p4q n GLY 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p4q s SER 6 N -4.00 4.49 0.00 1.61 1.04 -1.26 -5.11 113.70 110.47 1p4q s SER 6 Ca 0.00 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1p4q s SER 6 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1p4q s SER 6 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1p4q n GLY 7 N -1.53 3.01 0.68 7.32 0.00 -1.26 -5.04 105.19 108.37 1p4q n GLY 7 Ca -0.05 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1p4q n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p4q n SER 8 N 0.00 2.62 -3.79 1.61 7.64 -1.26 -4.97 113.62 115.47 1p4q n SER 8 Ca 0.00 -3.43 -0.24 0.00 1.01 0.00 0.00 58.87 56.21 1p4q n SER 8 Cb 0.00 -0.53 0.02 0.00 -1.01 0.00 0.00 64.21 62.69 1p4q n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p4q n ASN 9 N -1.07 -1.94 0.00 6.43 5.03 -1.26 -4.96 115.26 117.49 1p4q n ASN 9 Ca 0.23 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1p4q n ASN 9 Cb 0.82 -3.86 0.00 0.00 -1.02 0.00 0.00 39.78 35.72 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1p4q n VAL 10 N -4.39 0.00 -0.65 2.41 3.14 -1.26 -5.01 118.33 112.57 1p4q n VAL 10 Ca -0.21 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1p4q n VAL 10 Cb 0.64 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1p4q n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p4q n ILE 11 N 0.00 0.00 -2.23 1.55 3.06 -1.26 -5.03 119.36 115.45 1p4q n ILE 11 Ca 0.00 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.07 1p4q n ILE 11 Cb 0.00 -1.75 0.03 0.00 0.54 0.00 0.00 39.64 38.46 1p4q n ILE 11 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1p4q n ASP 12 N -0.43 4.08 -0.67 9.51 8.00 -1.26 -4.78 116.55 131.00 1p4q n ASP 12 Ca 0.00 -3.32 0.03 0.00 0.71 0.00 0.00 54.79 52.22 1p4q n ASP 12 Cb 0.00 -0.38 0.12 0.00 -0.02 0.00 0.00 41.12 40.85 1p4q n ASP 12 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1p4q n THR 13 N -0.68 0.58 0.58 -3.53 -2.24 -1.26 -4.00 114.28 103.73 1p4q n THR 13 Ca 0.35 -0.39 0.09 0.00 -2.27 0.00 0.00 64.05 61.82 1p4q n THR 13 Cb 0.92 -0.07 0.39 0.00 -2.10 0.00 0.00 70.33 69.47 1p4q n THR 13 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1p4q n ASP 14 N 0.23 0.10 0.00 3.42 2.03 -1.26 -2.83 116.55 118.23 1p4q n ASP 14 Ca 0.09 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1p4q n ASP 14 Cb 0.36 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1p4q n PHE 15 N -1.60 0.00 -2.32 -0.67 1.16 -1.26 -5.07 117.46 107.70 1p4q n PHE 15 Ca 0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.27 1p4q n PHE 15 Cb 0.21 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.08 1p4q n PHE 15 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1p4q s ILE 16 N -0.11 3.39 -0.15 1.97 1.10 -1.13 -5.04 121.20 121.24 1p4q s ILE 16 Ca 0.00 0.85 -0.06 0.00 -0.51 0.00 0.00 60.65 60.93 1p4q s ILE 16 Cb 0.00 -3.34 -0.04 0.00 0.15 0.00 0.00 42.46 39.23 1p4q s ILE 16 CO 0.00 -0.21 0.06 -0.62 -2.11 0.00 0.00 174.94 172.07 1p4q s ASP 17 N -1.92 5.68 0.23 4.50 2.15 -1.26 -4.98 116.67 121.08 1p4q s ASP 17 Ca 0.70 0.17 0.18 0.00 0.43 0.00 0.00 52.55 54.04 1p4q s ASP 17 Cb -0.21 -1.87 0.90 0.00 -0.30 0.00 0.00 42.92 41.44 1p4q s ASP 17 CO 0.26 0.27 1.55 -0.62 -0.17 0.00 0.00 175.17 176.46 1p4q n GLU 18 N 2.90 0.12 0.05 4.34 4.71 -1.26 -1.37 120.64 130.13 1p4q n GLU 18 Ca -0.18 0.53 0.01 0.00 -0.01 0.00 0.00 57.16 57.52 1p4q n GLU 18 Cb 0.53 -1.83 -0.06 0.00 -1.01 0.00 0.00 31.44 29.07 1p4q n GLU 18 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1p4q h GLU 19 N 0.00 0.00 -0.08 3.49 3.07 -2.00 -3.30 114.58 115.75 1p4q h GLU 19 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1p4q h GLU 19 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1p4q h GLU 19 CO 0.00 0.31 -0.09 0.28 -1.40 0.00 0.00 179.01 178.11 1p4q h VAL 20 N 0.00 1.37 0.34 3.13 2.07 -1.64 -1.04 116.25 120.48 1p4q h VAL 20 Ca -0.13 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1p4q h VAL 20 Cb 1.52 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1p4q h VAL 20 CO 0.05 0.36 -0.51 -0.07 0.02 0.00 0.00 177.57 177.41 1p4q h LEU 21 N -0.22 -1.47 -0.04 2.57 3.38 -1.69 0.45 115.31 118.29 1p4q h LEU 21 Ca 0.01 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1p4q h LEU 21 Cb 0.61 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1p4q h LEU 21 CO 0.02 -0.62 -0.26 -0.03 0.09 0.00 0.00 178.44 177.65 1p4q h MET 22 N -0.89 -0.36 -0.07 1.13 4.05 -1.64 0.39 114.93 117.53 1p4q h MET 22 Ca -0.04 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1p4q h MET 22 Cb 0.82 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.66 1p4q h MET 22 CO -0.16 -0.24 -0.17 0.66 0.23 0.00 0.00 176.91 177.23 1p4q h SER 23 N -0.37 -0.50 0.41 1.39 4.64 -0.95 0.25 113.55 118.41 1p4q h SER 23 Ca 0.07 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1p4q h SER 23 Cb 0.48 0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1p4q h SER 23 CO -0.25 -0.22 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.35 1p4q h LEU 24 N -0.23 0.00 0.01 5.97 3.38 0.24 0.18 115.31 124.86 1p4q h LEU 24 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p4q h LEU 24 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1p4q h LEU 24 CO -0.21 0.07 -0.00 0.58 0.09 0.00 0.00 178.44 178.96 1p4q h VAL 25 N 0.00 1.55 -0.13 1.22 2.07 0.13 -2.62 116.25 118.47 1p4q h VAL 25 Ca -0.00 -1.76 -0.16 0.00 0.82 0.00 0.00 66.70 65.60 1p4q h VAL 25 Cb 0.30 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1p4q h VAL 25 CO 0.01 0.45 -0.61 0.40 0.02 0.00 0.00 177.57 177.84 1p4q h ILE 26 N -0.77 1.35 -0.31 4.57 5.03 -0.82 1.19 117.51 127.75 1p4q h ILE 26 Ca -0.00 -1.92 -0.01 0.00 -0.12 0.00 0.00 64.86 62.81 1p4q h ILE 26 Cb 0.74 1.91 -0.01 0.00 -3.03 0.00 0.00 36.82 36.43 1p4q h ILE 26 CO 0.00 0.59 0.16 -0.08 -0.68 0.00 0.00 178.15 178.14 1p4q h GLU 27 N 0.33 0.44 0.17 2.37 4.22 -0.73 -3.25 114.58 118.13 1p4q h GLU 27 Ca -0.01 -0.06 -0.33 0.00 0.08 0.00 0.00 59.36 59.05 1p4q h GLU 27 Cb 1.15 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.32 1p4q h GLU 27 CO 0.11 0.39 -1.63 1.98 -2.18 0.00 0.00 179.01 177.68 1p4q h MET 28 N 0.38 0.36 0.00 1.92 4.05 -1.48 -3.49 114.93 116.66 1p4q h MET 28 Ca 0.11 -0.61 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1p4q h MET 28 Cb 0.09 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1p4q h MET 28 CO -0.02 1.29 0.00 0.41 0.23 0.00 0.00 176.91 178.83 1p4q n GLY 29 N 1.82 1.00 0.09 1.39 0.00 0.90 -5.03 105.19 105.36 1p4q n GLY 29 Ca -0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1p4q n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p4q h LEU 30 N 0.00 0.00 -4.02 0.99 3.38 0.96 -3.35 115.31 113.27 1p4q h LEU 30 Ca 0.00 -0.12 -0.59 0.00 0.09 0.00 0.00 57.88 57.26 1p4q h LEU 30 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 1p4q h LEU 30 CO 0.00 0.06 0.76 -0.90 0.09 0.00 0.00 178.44 178.45 1p4q n ASP 31 N -2.29 7.32 -1.64 -0.43 5.75 -1.23 -4.17 116.55 119.85 1p4q n ASP 31 Ca 0.03 -3.58 -0.00 0.00 -0.01 0.00 0.00 54.79 51.23 1p4q n ASP 31 Cb 0.46 -1.02 0.01 0.00 -1.03 0.00 0.00 41.12 39.53 1p4q n ASP 31 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1p4q n ARG 32 N -0.46 0.10 -3.21 0.11 0.00 -1.25 -5.06 116.66 106.89 1p4q n ARG 32 Ca 0.53 -0.12 -0.39 0.00 -0.00 0.00 0.00 57.85 57.88 1p4q n ARG 32 Cb 0.58 0.03 -0.05 0.00 0.00 0.00 0.00 32.46 33.02 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p4q s ILE 33 N 0.01 5.13 -0.25 5.15 1.01 -1.26 -4.97 121.20 126.03 1p4q s ILE 33 Ca 0.01 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.66 1p4q s ILE 33 Cb 0.03 -3.90 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 1p4q s ILE 33 CO -0.01 0.29 -0.13 2.29 0.00 0.00 0.00 174.94 177.39 1p4q n LYS 34 N 3.74 0.60 -4.04 2.79 2.85 -1.26 -4.87 118.16 117.97 1p4q n LYS 34 Ca -0.05 0.34 -0.33 0.00 -1.05 0.00 0.00 58.31 57.22 1p4q n LYS 34 Cb 0.51 -1.58 -0.15 0.00 -0.65 0.00 0.00 35.03 33.16 1p4q n LYS 34 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1p4q s GLU 35 N -2.47 2.27 -0.47 -1.58 2.02 -1.26 -5.09 118.70 112.12 1p4q s GLU 35 Ca -0.34 -1.34 -0.27 0.00 0.02 0.00 0.00 54.97 53.04 1p4q s GLU 35 Cb 0.11 -2.95 0.03 0.00 0.10 0.00 0.00 34.13 31.42 1p4q s GLU 35 CO 0.55 -0.58 1.00 -1.17 0.02 0.00 0.00 175.26 175.08 1p4q s LEU 36 N 1.13 3.88 1.06 1.80 2.96 -1.26 -5.03 118.68 123.22 1p4q s LEU 36 Ca -0.08 0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 1p4q s LEU 36 Cb -0.20 -3.31 0.12 0.00 0.50 0.00 0.00 46.19 43.30 1p4q s LEU 36 CO -0.04 -1.12 0.44 -0.81 -1.32 0.00 0.00 176.35 173.50 1p4q n PRO 37 N 7.39 -1.25 -3.03 0.98 -0.04 -1.26 -4.97 135.00 132.83 1p4q n PRO 37 Ca 0.08 -0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 62.84 1p4q n PRO 37 Cb 0.49 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1p4q n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p4q s GLU 38 N -3.81 4.40 -0.36 0.54 0.41 -1.26 -5.05 118.70 113.56 1p4q s GLU 38 Ca 0.60 1.01 0.04 0.00 -0.41 0.00 0.00 54.97 56.21 1p4q s GLU 38 Cb -0.18 -3.02 0.10 0.00 -1.78 0.00 0.00 34.13 29.25 1p4q s GLU 38 CO 0.65 0.45 0.08 -1.17 -0.49 0.00 0.00 175.26 174.79 1p4q s LEU 39 N -1.67 4.73 0.19 1.80 1.98 -1.26 -5.09 118.68 119.36 1p4q s LEU 39 Ca 0.41 -2.26 0.04 0.00 -2.89 0.00 0.00 54.13 49.43 1p4q s LEU 39 Cb -0.19 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 44.97 1p4q s LEU 39 CO 0.23 -0.37 -0.06 0.26 -1.89 0.00 0.00 176.35 174.52 1p4q s TRP 40 N 0.76 1.42 -1.17 5.38 0.23 -1.26 -5.04 118.94 119.26 1p4q s TRP 40 Ca 0.12 -0.83 -0.09 0.00 -2.03 0.00 0.00 56.10 53.27 1p4q s TRP 40 Cb -0.20 -0.77 -0.07 0.00 0.03 0.00 0.00 33.47 32.47 1p4q s TRP 40 CO -0.07 0.04 2.38 1.47 0.96 0.00 0.00 176.95 181.73 1p4q n LEU 41 N -0.30 6.24 0.08 2.99 -0.00 -1.26 -4.62 117.00 120.13 1p4q n LEU 41 Ca -0.08 -3.46 -0.03 0.00 -0.00 0.00 0.00 56.01 52.44 1p4q n LEU 41 Cb 0.62 -1.29 -0.02 0.00 -0.00 0.00 0.00 43.42 42.74 1p4q n LEU 41 CO 0.34 1.04 0.22 1.23 -0.00 0.00 0.00 177.39 180.22 1p4q h GLY 42 N 8.52 -0.23 -1.62 1.47 0.00 -2.00 -3.46 103.07 105.75 1p4q h GLY 42 Ca 0.62 0.09 -0.50 0.00 0.00 0.00 0.00 47.33 47.53 1p4q h GLY 42 CO 1.64 -0.08 -0.53 -1.06 0.00 0.00 0.00 176.54 176.51 1p4q n GLN 43 N -3.19 -0.90 -0.12 4.80 6.02 -1.26 -4.95 117.38 117.78 1p4q n GLN 43 Ca -0.03 -0.23 0.04 0.00 -0.01 0.00 0.00 57.00 56.77 1p4q n GLN 43 Cb 0.09 -1.93 0.10 0.00 1.02 0.00 0.00 30.24 29.51 1p4q n GLN 43 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1p4q n ASN 44 N -2.26 2.58 -0.64 1.08 0.23 -1.26 -4.50 115.26 110.49 1p4q n ASN 44 Ca 0.06 -2.12 0.11 0.00 -0.53 0.00 0.00 54.58 52.10 1p4q n ASN 44 Cb 0.56 -0.17 0.03 0.00 -2.08 0.00 0.00 39.78 38.12 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p4q n GLU 45 N -0.05 1.56 -0.58 -3.83 -0.58 -1.26 -4.24 120.64 111.66 1p4q n GLU 45 Ca 0.08 -1.29 0.06 0.00 -0.42 0.00 0.00 57.16 55.59 1p4q n GLU 45 Cb 0.39 -1.47 0.10 0.00 -0.57 0.00 0.00 31.44 29.90 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1p4q n PHE 46 N 0.40 0.00 0.05 -0.32 3.01 -1.26 -4.79 117.46 114.54 1p4q n PHE 46 Ca 0.11 -0.82 0.03 0.00 1.01 0.00 0.00 57.45 57.78 1p4q n PHE 46 Cb 0.51 -0.15 0.16 0.00 -0.01 0.00 0.00 39.48 39.98 1p4q n PHE 46 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1p4q n ASP 47 N -0.66 0.15 0.00 4.37 -0.08 -1.26 -1.94 116.55 117.13 1p4q n ASP 47 Ca 0.11 0.56 0.03 0.00 -1.51 0.00 0.00 54.79 53.98 1p4q n ASP 47 Cb 0.76 -0.58 0.13 0.00 2.34 0.00 0.00 41.12 43.77 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p4q n PHE 48 N -1.70 0.00 1.80 -0.67 3.01 -1.26 -2.05 117.46 116.59 1p4q n PHE 48 Ca -0.00 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.51 1p4q n PHE 48 Cb 0.03 -0.41 0.30 0.00 -0.01 0.00 0.00 39.48 39.39 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1p4q n MET 49 N -1.41 0.90 0.00 -1.08 2.81 -0.82 -4.51 117.12 113.01 1p4q n MET 49 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1p4q n MET 49 Cb 0.06 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1p4q n MET 49 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1p4q n THR 50 N -0.68 0.00 -1.16 2.03 5.66 -0.87 -5.00 114.28 114.26 1p4q n THR 50 Ca 0.08 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.02 1p4q n THR 50 Cb 0.03 -0.06 -0.02 0.00 -1.55 0.00 0.00 70.33 68.74 1p4q n THR 50 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1p4q n ASP 51 N -0.75 -5.54 -0.19 1.09 2.03 -1.24 -5.20 116.55 106.76 1p4q n ASP 51 Ca 0.00 0.14 0.15 0.00 0.52 0.00 0.00 54.79 55.60 1p4q n ASP 51 Cb 0.00 -3.53 0.78 0.00 -0.72 0.00 0.00 41.12 37.66 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61