#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q s SER 2 N 0.00 3.22 -0.05 1.61 1.04 -1.26 -4.97 113.70 113.29 1p4q s SER 2 Ca 0.00 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 55.59 1p4q s SER 2 Cb 0.00 -0.91 -0.08 0.00 0.10 0.00 0.00 66.02 65.13 1p4q s SER 2 CO 0.00 -0.24 0.06 0.61 0.98 0.00 0.00 173.24 174.65 1p4q n GLY 3 N 4.86 -0.31 1.00 7.32 0.00 -1.26 -4.93 105.19 111.87 1p4q n GLY 3 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1p4q n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p4q n SER 4 N -2.10 0.00 -4.57 1.61 7.64 -1.26 -5.07 113.62 109.87 1p4q n SER 4 Ca -0.08 0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.29 1p4q n SER 4 Cb 0.56 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1p4q n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p4q n GLY 5 N 0.86 0.86 1.89 0.23 0.00 -1.26 -4.27 105.19 103.50 1p4q n GLY 5 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1p4q n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 6 N 8.17 -8.49 0.00 1.61 2.88 -1.26 -4.96 113.62 111.57 1p4q n SER 6 Ca 0.33 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1p4q n SER 6 Cb 0.24 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 1p4q n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4q n GLY 7 N 1.45 1.49 2.67 0.46 0.00 -1.26 -4.95 105.19 105.04 1p4q n GLY 7 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.40 -2.86 1.61 7.64 -1.26 -5.05 113.62 112.30 1p4q n SER 8 Ca 0.00 -1.08 -0.08 0.00 1.01 0.00 0.00 58.87 58.72 1p4q n SER 8 Cb 0.00 0.71 0.01 0.00 -1.01 0.00 0.00 64.21 63.92 1p4q n SER 8 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p4q n ASN 9 N 2.37 -7.87 0.00 6.43 5.15 -1.26 -5.03 115.26 115.05 1p4q n ASN 9 Ca 0.09 0.66 0.00 0.00 -0.60 0.00 0.00 54.58 54.73 1p4q n ASN 9 Cb 0.66 -5.21 0.00 0.00 -0.53 0.00 0.00 39.78 34.70 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1p4q n VAL 10 N -0.12 0.00 -1.80 3.44 3.14 -1.26 -5.02 118.33 116.72 1p4q n VAL 10 Ca 0.09 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.43 1p4q n VAL 10 Cb 0.39 -0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.11 1.55 3.06 -1.26 -4.97 119.36 116.63 1p4q n ILE 11 Ca 0.00 -0.21 -0.27 0.00 -2.50 0.00 0.00 62.75 59.77 1p4q n ILE 11 Cb 0.00 -1.57 0.08 0.00 0.54 0.00 0.00 39.64 38.69 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 -3.05 6.61 -0.69 9.51 8.00 -1.26 -4.37 116.55 131.31 1p4q n ASP 12 Ca 0.03 -3.49 0.11 0.00 0.71 0.00 0.00 54.79 52.14 1p4q n ASP 12 Cb 0.09 -0.97 0.34 0.00 -0.02 0.00 0.00 41.12 40.57 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 -0.54 0.23 0.39 -3.53 -2.24 -1.26 -4.09 114.28 103.24 1p4q n THR 13 Ca 0.51 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1p4q n THR 13 Cb 0.78 0.57 0.40 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.60 0.38 0.00 3.42 -0.08 -1.26 -2.92 116.55 116.68 1p4q n ASP 14 Ca 0.17 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 54.05 1p4q n ASP 14 Cb 0.40 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1p4q n PHE 15 N -1.93 0.00 -2.34 -0.67 1.16 -1.26 -5.06 117.46 107.36 1p4q n PHE 15 Ca 0.02 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.21 1p4q n PHE 15 Cb 0.18 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.02 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 -1.14 3.24 -0.15 1.97 2.07 -1.15 -5.03 121.20 121.01 1p4q s ILE 16 Ca 0.00 1.09 -0.06 0.00 -1.41 0.00 0.00 60.65 60.27 1p4q s ILE 16 Cb 0.00 -3.63 -0.04 0.00 0.13 0.00 0.00 42.46 38.92 1p4q s ILE 16 CO 0.00 0.15 0.06 -0.62 -1.91 0.00 0.00 174.94 172.62 1p4q s ASP 17 N -1.06 5.69 0.29 4.50 2.15 -1.26 -4.97 116.67 122.01 1p4q s ASP 17 Ca 0.54 0.16 0.22 0.00 0.43 0.00 0.00 52.55 53.90 1p4q s ASP 17 Cb -0.31 -1.88 1.07 0.00 -0.30 0.00 0.00 42.92 41.50 1p4q s ASP 17 CO 0.39 0.26 1.67 1.21 -0.17 0.00 0.00 175.17 178.54 1p4q n GLU 18 N 2.97 0.16 0.01 4.34 2.13 -1.26 -1.90 120.64 127.09 1p4q n GLU 18 Ca -0.18 0.54 -0.15 0.00 0.66 0.00 0.00 57.16 58.04 1p4q n GLU 18 Cb 0.53 -1.91 -0.14 0.00 0.27 0.00 0.00 31.44 30.19 1p4q n GLU 18 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1p4q h GLU 19 N 0.00 0.14 0.71 5.31 4.39 -1.99 -3.21 114.58 119.93 1p4q h GLU 19 Ca 0.00 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 1p4q h GLU 19 Cb 0.16 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1p4q h GLU 19 CO 0.00 0.89 -0.34 0.28 -1.16 0.00 0.00 179.01 178.68 1p4q h VAL 20 N 0.04 0.21 -0.13 3.13 2.07 -1.80 -2.33 116.25 117.43 1p4q h VAL 20 Ca -0.31 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1p4q h VAL 20 Cb 2.01 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1p4q h VAL 20 CO 0.10 0.02 0.09 0.17 0.02 0.00 0.00 177.57 177.97 1p4q h LEU 21 N -1.10 0.11 0.06 2.57 8.10 -1.72 -2.25 115.31 121.09 1p4q h LEU 21 Ca -0.10 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1p4q h LEU 21 Cb 0.76 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.94 1p4q h LEU 21 CO 0.16 0.08 -0.05 -0.03 -4.11 0.00 0.00 178.44 174.49 1p4q h MET 22 N 0.13 -0.12 -0.62 0.17 4.05 -1.51 0.91 114.93 117.96 1p4q h MET 22 Ca 0.05 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1p4q h MET 22 Cb 0.05 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1p4q h MET 22 CO -0.01 -0.08 0.41 1.03 0.23 0.00 0.00 176.91 178.49 1p4q h SER 23 N -0.12 0.67 0.67 1.39 0.87 -0.86 -0.62 113.55 115.54 1p4q h SER 23 Ca -0.00 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 1p4q h SER 23 Cb 0.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1p4q h SER 23 CO -0.01 0.47 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.25 1p4q h LEU 24 N 0.78 0.00 -0.26 2.23 3.38 -1.03 -2.37 115.31 118.04 1p4q h LEU 24 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1p4q h LEU 24 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1p4q h LEU 24 CO -0.06 0.44 -0.04 0.58 0.09 0.00 0.00 178.44 179.45 1p4q h VAL 25 N 0.00 1.27 -0.25 1.22 2.07 0.76 -1.75 116.25 119.57 1p4q h VAL 25 Ca -0.00 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 1p4q h VAL 25 Cb 0.90 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1p4q h VAL 25 CO 0.06 0.32 -0.35 0.40 0.02 0.00 0.00 177.57 178.02 1p4q h ILE 26 N 0.25 1.29 -0.44 4.57 5.03 -1.40 1.07 117.51 127.88 1p4q h ILE 26 Ca 0.07 -1.48 -0.05 0.00 -0.12 0.00 0.00 64.86 63.28 1p4q h ILE 26 Cb 0.50 1.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.75 1p4q h ILE 26 CO 0.02 0.47 0.10 -0.08 -0.68 0.00 0.00 178.15 177.98 1p4q h GLU 27 N 0.47 0.72 0.17 2.37 4.81 -1.31 -3.26 114.58 118.54 1p4q h GLU 27 Ca 0.05 -0.18 -0.31 0.00 -0.13 0.00 0.00 59.36 58.79 1p4q h GLU 27 Cb 0.84 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1p4q h GLU 27 CO 0.07 0.73 -1.52 1.98 -0.73 0.00 0.00 179.01 179.53 1p4q h MET 28 N 0.59 0.36 0.00 1.92 4.05 -1.27 -3.49 114.93 117.09 1p4q h MET 28 Ca 0.14 -0.61 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1p4q h MET 28 Cb 0.34 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1p4q h MET 28 CO 0.00 1.29 0.00 0.41 0.23 0.00 0.00 176.91 178.85 1p4q n GLY 29 N 1.79 1.05 1.01 1.39 0.00 0.16 -5.03 105.19 105.56 1p4q n GLY 29 Ca -0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.86 1p4q n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p4q n LEU 30 N 0.00 2.92 -0.24 0.99 4.77 0.32 -3.91 117.00 121.86 1p4q n LEU 30 Ca 0.00 -1.47 0.09 0.00 -0.03 0.00 0.00 56.01 54.60 1p4q n LEU 30 Cb 0.00 -0.39 0.16 0.00 -2.33 0.00 0.00 43.42 40.86 1p4q n LEU 30 CO 0.00 0.61 0.56 -0.90 -1.33 0.00 0.00 177.39 176.34 1p4q n ASP 31 N 0.81 2.43 0.00 -1.43 5.75 -1.25 -4.84 116.55 118.01 1p4q n ASP 31 Ca 0.17 -3.20 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 1p4q n ASP 31 Cb 0.51 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1p4q n ASP 31 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1p4q n ARG 32 N -1.30 0.00 -4.01 0.11 1.74 -1.25 -5.11 116.66 106.83 1p4q n ARG 32 Ca 0.17 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.98 1p4q n ARG 32 Cb 0.68 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.07 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1p4q s ILE 33 N 0.00 4.89 -0.22 0.55 1.01 -1.26 -5.03 121.20 121.13 1p4q s ILE 33 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1p4q s ILE 33 Cb 0.00 -3.49 -0.15 0.00 0.01 0.00 0.00 42.46 38.83 1p4q s ILE 33 CO 0.00 -0.06 -0.18 1.17 0.00 0.00 0.00 174.94 175.87 1p4q n LYS 34 N -0.31 0.61 -3.64 2.79 3.00 -1.26 -4.95 118.16 114.40 1p4q n LYS 34 Ca -0.08 0.12 -0.22 0.00 -0.00 0.00 0.00 58.31 58.14 1p4q n LYS 34 Cb 0.54 -1.45 -0.17 0.00 0.00 0.00 0.00 35.03 33.94 1p4q n LYS 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1p4q s GLU 35 N -2.45 -0.01 -0.45 1.64 2.12 -1.26 -5.11 118.70 113.18 1p4q s GLU 35 Ca -0.29 0.23 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1p4q s GLU 35 Cb 0.08 -0.99 0.02 0.00 0.26 0.00 0.00 34.13 33.50 1p4q s GLU 35 CO 0.54 -0.46 1.20 -1.17 -0.54 0.00 0.00 175.26 174.82 1p4q s LEU 36 N 2.18 3.66 0.97 2.70 2.96 -1.26 -5.02 118.68 124.86 1p4q s LEU 36 Ca 0.04 0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 1p4q s LEU 36 Cb -0.14 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.18 1p4q s LEU 36 CO -0.06 -1.26 1.09 -2.16 -1.32 0.00 0.00 176.35 172.65 1p4q s PRO 37 N 4.49 0.65 0.21 0.98 0.04 -1.26 -5.01 135.00 135.09 1p4q s PRO 37 Ca 0.51 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1p4q s PRO 37 Cb -0.09 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 1p4q s PRO 37 CO 0.30 -2.73 0.70 -1.21 0.04 0.00 0.00 177.00 174.10 1p4q s GLU 38 N -4.71 4.22 -0.34 4.56 2.02 -1.26 -5.06 118.70 118.13 1p4q s GLU 38 Ca 0.66 0.82 0.04 0.00 0.02 0.00 0.00 54.97 56.50 1p4q s GLU 38 Cb -0.21 -2.90 0.10 0.00 0.10 0.00 0.00 34.13 31.21 1p4q s GLU 38 CO 0.59 0.42 0.05 -0.51 0.02 0.00 0.00 175.26 175.83 1p4q s LEU 39 N -1.93 4.78 0.20 1.80 1.02 -1.26 -5.09 118.68 118.19 1p4q s LEU 39 Ca 0.42 -2.16 0.04 0.00 0.02 0.00 0.00 54.13 52.45 1p4q s LEU 39 Cb -0.17 -1.63 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 1p4q s LEU 39 CO 0.21 -0.38 -0.05 0.26 0.02 0.00 0.00 176.35 176.40 1p4q s TRP 40 N 0.90 1.45 0.36 0.29 0.23 -1.26 -5.03 118.94 115.88 1p4q s TRP 40 Ca 0.11 -0.83 0.17 0.00 -2.03 0.00 0.00 56.10 53.52 1p4q s TRP 40 Cb -0.19 -0.79 1.21 0.00 0.03 0.00 0.00 33.47 33.72 1p4q s TRP 40 CO -0.08 0.04 1.58 -0.07 0.96 0.00 0.00 176.95 179.39 1p4q h LEU 41 N 2.60 0.17 0.00 2.99 4.07 -2.00 -3.42 115.31 119.72 1p4q h LEU 41 Ca -0.38 0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1p4q h LEU 41 Cb 1.21 0.31 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1p4q h LEU 41 CO 0.64 -0.40 0.00 0.61 -1.08 0.00 0.00 178.44 178.21 1p4q n GLY 42 N -1.31 1.68 3.57 0.83 0.00 -1.26 -4.48 105.19 104.22 1p4q n GLY 42 Ca 0.35 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.53 1p4q n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p4q s GLN 43 N 0.00 -0.09 -0.18 1.61 -0.21 -1.26 -4.95 119.66 114.57 1p4q s GLN 43 Ca 0.00 1.01 0.16 0.00 0.02 0.00 0.00 55.36 56.54 1p4q s GLN 43 Cb 0.00 -1.64 0.61 0.00 1.00 0.00 0.00 33.01 32.98 1p4q s GLN 43 CO 0.00 -3.22 1.52 0.27 -2.12 0.00 0.00 175.29 171.74 1p4q n ASN 44 N -4.58 4.41 0.00 5.90 0.23 -1.26 -4.45 115.26 115.51 1p4q n ASN 44 Ca 0.06 -2.90 0.14 0.00 -0.53 0.00 0.00 54.58 51.35 1p4q n ASN 44 Cb 0.54 -0.57 0.66 0.00 -2.08 0.00 0.00 39.78 38.33 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 -0.03 0.15 -1.48 -3.83 -0.58 -1.26 -3.36 120.64 110.24 1p4q n GLU 45 Ca 0.23 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 1p4q n GLU 45 Cb 0.95 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.40 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 -1.43 0.37 0.05 -0.32 3.01 -1.26 -4.84 117.46 113.03 1p4q n PHE 46 Ca 0.09 -1.11 0.03 0.00 1.01 0.00 0.00 57.45 57.47 1p4q n PHE 46 Cb 0.30 -0.20 0.15 0.00 -0.01 0.00 0.00 39.48 39.72 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 -0.17 0.14 0.00 4.37 -0.08 -1.21 -1.62 116.55 117.98 1p4q n ASP 47 Ca 0.12 0.53 0.03 0.00 -1.51 0.00 0.00 54.79 53.96 1p4q n ASP 47 Cb 0.97 -0.54 0.13 0.00 2.34 0.00 0.00 41.12 44.02 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 -1.67 0.01 1.66 -0.67 3.01 -1.26 -1.91 117.46 116.63 1p4q n PHE 48 Ca -0.00 0.01 0.01 0.00 1.01 0.00 0.00 57.45 58.47 1p4q n PHE 48 Cb 0.06 -0.51 0.03 0.00 -0.01 0.00 0.00 39.48 39.05 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 -1.51 1.18 -0.03 -1.08 2.81 -0.64 -3.96 117.12 113.88 1p4q n MET 49 Ca 0.01 -0.24 -0.07 0.00 -1.81 0.00 0.00 57.70 55.59 1p4q n MET 49 Cb 0.07 -1.12 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 1p4q n MET 49 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1p4q n THR 50 N -0.26 1.26 -1.07 2.03 -2.24 -0.80 -4.99 114.28 108.21 1p4q n THR 50 Ca 0.02 0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.95 1p4q n THR 50 Cb 0.09 -1.93 -0.01 0.00 -2.10 0.00 0.00 70.33 66.38 1p4q n THR 50 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1p4q n ASP 51 N -3.94 -5.16 -0.74 3.42 -0.08 -1.25 -5.23 116.55 103.57 1p4q n ASP 51 Ca -0.12 0.06 0.09 0.00 -1.51 0.00 0.00 54.79 53.32 1p4q n ASP 51 Cb 0.36 -2.88 0.08 0.00 2.34 0.00 0.00 41.12 41.02 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65