#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh n SER 2 N 0.00 -1.21 -3.73 1.61 7.64 -1.26 -5.08 113.62 111.59 2dbh n SER 2 Ca 0.00 1.38 -0.13 0.00 1.01 0.00 0.00 58.87 61.13 2dbh n SER 2 Cb 0.00 -5.20 -0.07 0.00 -1.01 0.00 0.00 64.21 57.92 2dbh n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dbh s SER 3 N -0.65 -0.20 0.00 6.43 1.04 -1.26 -5.16 113.70 113.91 2dbh s SER 3 Ca -0.26 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2dbh s SER 3 Cb 0.02 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dbh s SER 3 CO 0.70 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2dbh n GLY 4 N 0.77 2.61 3.77 7.32 0.00 -1.26 -5.20 105.19 113.20 2dbh n GLY 4 Ca -0.19 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2dbh n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbh s SER 5 N 0.00 0.09 0.33 1.61 1.04 -1.26 -5.19 113.70 110.31 2dbh s SER 5 Ca 0.00 -1.15 -0.09 0.00 0.48 0.00 0.00 55.95 55.19 2dbh s SER 5 Cb 0.00 0.82 0.04 0.00 0.10 0.00 0.00 66.02 66.98 2dbh s SER 5 CO 0.00 -1.63 0.59 -1.54 0.98 0.00 0.00 173.24 171.64 2dbh n SER 6 N -1.35 -1.68 0.00 7.02 3.41 -1.26 -5.03 113.62 114.73 2dbh n SER 6 Ca -0.07 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2dbh n SER 6 Cb 0.60 2.89 0.00 0.00 -0.26 0.00 0.00 64.21 67.44 2dbh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbh n GLY 7 N -0.47 1.21 3.15 5.00 0.00 -1.26 -5.08 105.19 107.74 2dbh n GLY 7 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 2dbh n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 8 N 0.00 -0.71 -0.35 1.61 0.15 -1.26 -5.12 113.70 108.02 2dbh s SER 8 Ca 0.00 0.44 0.04 0.00 0.70 0.00 0.00 55.95 57.13 2dbh s SER 8 Cb 0.00 1.59 0.16 0.00 -1.71 0.00 0.00 66.02 66.06 2dbh s SER 8 CO 0.00 -0.13 0.43 -0.55 1.20 0.00 0.00 173.24 174.19 2dbh s SER 9 N 2.93 0.45 -0.16 5.45 0.15 -1.26 -5.10 113.70 116.17 2dbh s SER 9 Ca 0.05 -1.08 -0.05 0.00 0.70 0.00 0.00 55.95 55.56 2dbh s SER 9 Cb -0.11 0.98 0.08 0.00 -1.71 0.00 0.00 66.02 65.25 2dbh s SER 9 CO -0.14 -0.27 0.32 0.00 1.20 0.00 0.00 173.24 174.35 2dbh s ALA 10 N 1.84 -0.77 -0.35 5.45 0.00 -1.26 -5.03 121.76 121.64 2dbh s ALA 10 Ca 0.15 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.29 2dbh s ALA 10 Cb -0.12 -1.15 0.48 0.00 0.00 0.00 0.00 23.12 22.32 2dbh s ALA 10 CO -0.12 -0.71 1.44 1.28 0.00 0.00 0.00 175.76 177.65 2dbh n LEU 11 N 5.37 4.87 -0.05 0.00 4.32 -1.26 -4.11 117.00 126.13 2dbh n LEU 11 Ca -0.07 -4.21 -0.04 0.00 -0.02 0.00 0.00 56.01 51.67 2dbh n LEU 11 Cb 0.50 -0.58 -0.09 0.00 -1.62 0.00 0.00 43.42 41.62 2dbh n LEU 11 CO 0.02 1.61 -0.83 -0.24 -1.22 0.00 0.00 177.39 176.73 2dbh n SER 12 N -0.95 2.22 -0.02 -1.43 2.88 -1.26 -4.73 113.62 110.33 2dbh n SER 12 Ca 0.41 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.94 2dbh n SER 12 Cb 0.93 0.91 -0.00 0.00 -0.75 0.00 0.00 64.21 65.30 2dbh n SER 12 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dbh h ARG 13 N 0.00 0.00 0.00 -1.46 -0.00 -2.03 -3.48 114.38 107.41 2dbh h ARG 13 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 2dbh h ARG 13 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.47 2dbh h ARG 13 CO 0.01 0.00 -0.06 -1.71 0.00 0.00 0.00 179.97 178.22 2dbh n ASN 14 N -2.79 0.46 0.00 7.04 2.85 -1.26 -5.15 115.26 116.41 2dbh n ASN 14 Ca -0.01 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2dbh n ASN 14 Cb 0.04 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 40.87 2dbh n ASN 14 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dbh n GLY 15 N 3.18 3.30 3.45 8.20 0.00 -1.26 -5.00 105.19 117.06 2dbh n GLY 15 Ca -0.01 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2dbh n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 16 N 0.00 4.97 -0.08 1.61 0.15 -1.26 -4.92 113.70 114.18 2dbh s SER 16 Ca 0.00 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.47 2dbh s SER 16 Cb 0.00 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.37 2dbh s SER 16 CO 0.00 0.02 -0.04 0.49 1.20 0.00 0.00 173.24 174.91 2dbh n PHE 17 N 4.57 0.00 -4.20 3.44 3.72 -1.24 -4.97 117.46 118.77 2dbh n PHE 17 Ca -0.17 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.06 2dbh n PHE 17 Cb 0.52 -0.33 -0.15 0.00 -0.94 0.00 0.00 39.48 38.57 2dbh n PHE 17 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2dbh s ILE 18 N -2.17 0.50 0.45 4.37 1.01 -1.24 -4.96 121.20 119.15 2dbh s ILE 18 Ca -0.09 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2dbh s ILE 18 Cb 0.03 -0.45 0.06 0.00 0.01 0.00 0.00 42.46 42.11 2dbh s ILE 18 CO 0.23 0.16 0.48 0.35 0.00 0.00 0.00 174.94 176.16 2dbh n THR 19 N 3.20 0.00 0.08 2.92 -2.24 -1.26 -4.93 114.28 112.05 2dbh n THR 19 Ca -0.16 -1.63 -0.11 0.00 -2.27 0.00 0.00 64.05 59.88 2dbh n THR 19 Cb 0.56 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.29 2dbh n THR 19 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dbh h LYS 20 N 0.00 0.11 -0.09 -0.78 3.64 -2.01 -3.26 116.57 114.17 2dbh h LYS 20 Ca -0.24 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 2dbh h LYS 20 Cb 1.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2dbh h LYS 20 CO 0.37 1.09 -0.32 1.05 -2.27 0.00 0.00 179.45 179.37 2dbh h GLU 21 N 0.03 0.17 -0.25 1.90 4.11 -1.99 -2.47 114.58 116.09 2dbh h GLU 21 Ca -0.06 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 2dbh h GLU 21 Cb 1.85 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2dbh h GLU 21 CO 0.16 0.48 0.09 0.87 0.07 0.00 0.00 179.01 180.68 2dbh h LYS 22 N 0.15 0.37 -0.06 1.06 1.57 -1.97 -2.74 116.57 114.96 2dbh h LYS 22 Ca 0.02 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2dbh h LYS 22 Cb 0.64 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2dbh h LYS 22 CO 0.05 0.42 -0.33 0.87 -0.57 0.00 0.00 179.45 179.89 2dbh h LYS 23 N 0.24 0.11 -0.02 3.15 1.57 -1.61 -2.55 116.57 117.46 2dbh h LYS 23 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2dbh h LYS 23 Cb 0.19 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2dbh h LYS 23 CO -0.01 0.43 0.01 0.22 -0.57 0.00 0.00 179.45 179.54 2dbh h ASP 24 N 0.09 0.00 0.50 0.86 3.58 -1.14 -1.77 116.42 118.55 2dbh h ASP 24 Ca 0.01 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.17 2dbh h ASP 24 Cb 0.64 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2dbh h ASP 24 CO 0.05 0.00 -1.60 0.74 -2.88 0.00 0.00 179.24 175.54 2dbh h THR 25 N 0.00 1.02 -0.47 2.25 2.02 -1.37 -2.99 112.91 113.38 2dbh h THR 25 Ca 0.01 -2.77 -0.04 0.00 0.77 0.00 0.00 66.41 64.37 2dbh h THR 25 Cb 0.03 2.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 2dbh h THR 25 CO -0.00 0.71 0.14 0.58 0.37 0.00 0.00 175.52 177.32 2dbh h VAL 26 N 0.03 1.23 0.00 3.16 2.07 -1.12 -2.64 116.25 118.98 2dbh h VAL 26 Ca -0.26 -0.76 -0.18 0.00 0.82 0.00 0.00 66.70 66.32 2dbh h VAL 26 Cb 1.98 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2dbh h VAL 26 CO 0.11 0.28 -0.86 -0.07 0.02 0.00 0.00 177.57 177.05 2dbh h LEU 27 N 0.62 0.05 -0.58 2.57 3.38 -1.50 -3.26 115.31 116.59 2dbh h LEU 27 Ca 0.15 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2dbh h LEU 27 Cb 0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2dbh h LEU 27 CO -0.00 0.88 0.37 -0.09 0.09 0.00 0.00 178.44 179.68 2dbh h ARG 28 N 0.02 0.72 0.00 1.13 2.43 -1.36 0.16 114.38 117.48 2dbh h ARG 28 Ca -0.02 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2dbh h ARG 28 Cb 1.50 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2dbh h ARG 28 CO 0.12 0.47 -0.21 1.96 -1.51 0.00 0.00 179.97 180.79 2dbh h GLN 29 N 0.74 0.00 0.01 0.20 4.20 -1.52 -1.11 115.11 117.63 2dbh h GLN 29 Ca 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2dbh h GLN 29 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2dbh h GLN 29 CO -0.07 0.21 -0.01 0.28 -0.67 0.00 0.00 178.83 178.58 2dbh h VAL 30 N 0.00 1.33 -0.20 -0.54 2.07 -1.37 0.83 116.25 118.37 2dbh h VAL 30 Ca -0.00 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.61 2dbh h VAL 30 Cb 0.39 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2dbh h VAL 30 CO 0.03 0.44 0.13 0.03 0.02 0.00 0.00 177.57 178.22 2dbh h ARG 31 N -0.97 0.18 0.11 1.57 3.08 -0.68 -2.78 114.38 114.90 2dbh h ARG 31 Ca -0.00 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 2dbh h ARG 31 Cb 0.73 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2dbh h ARG 31 CO 0.00 0.12 -1.45 -0.07 -1.07 0.00 0.00 179.97 177.50 2dbh h LEU 32 N 0.19 0.37 -7.62 3.04 3.38 -1.30 -3.45 115.31 109.92 2dbh h LEU 32 Ca 0.08 -0.85 -0.55 0.00 0.09 0.00 0.00 57.88 56.65 2dbh h LEU 32 Cb 0.09 -0.12 -0.38 0.00 0.09 0.00 0.00 40.66 40.34 2dbh h LEU 32 CO -0.01 1.63 -0.79 -1.81 0.09 0.00 0.00 178.44 177.55 2dbh s ASP 33 N -7.03 2.83 0.24 -0.43 1.01 0.28 -5.08 116.67 108.49 2dbh s ASP 33 Ca -0.20 -0.66 -0.30 0.00 0.71 0.00 0.00 52.55 52.10 2dbh s ASP 33 Cb 0.05 -0.91 -0.09 0.00 1.01 0.00 0.00 42.92 42.97 2dbh s ASP 33 CO 0.76 -0.18 1.29 -2.16 0.21 0.00 0.00 175.17 175.09 2dbh s PRO 34 N 1.63 4.40 0.15 8.23 0.04 -1.21 -3.87 135.00 144.37 2dbh s PRO 34 Ca 0.01 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 2dbh s PRO 34 Cb -0.15 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.27 2dbh s PRO 34 CO -0.08 -0.19 0.47 0.00 0.04 0.00 0.00 177.00 177.24 2dbh s ASP 36 N -2.80 6.72 -0.12 0.00 1.01 -1.26 -4.91 116.67 115.30 2dbh s ASP 36 Ca 0.03 2.47 0.18 0.00 0.71 0.00 0.00 52.55 55.94 2dbh s ASP 36 Cb 0.01 -2.59 0.43 0.00 1.01 0.00 0.00 42.92 41.77 2dbh s ASP 36 CO -0.11 -0.72 1.19 0.18 0.21 0.00 0.00 175.17 175.93 2dbh n LEU 37 N 3.76 2.02 -0.09 1.23 4.77 -1.26 -4.83 117.00 122.60 2dbh n LEU 37 Ca 0.12 -3.09 -0.15 0.00 -0.03 0.00 0.00 56.01 52.85 2dbh n LEU 37 Cb 0.41 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2dbh n LEU 37 CO 0.60 1.03 -0.36 -0.61 -1.33 0.00 0.00 177.39 176.72 2dbh h GLN 38 N 1.08 0.00 -0.46 3.23 -0.00 -2.00 -3.30 115.11 113.67 2dbh h GLN 38 Ca -0.09 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 58.69 2dbh h GLN 38 Cb 1.41 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.87 2dbh h GLN 38 CO 0.07 0.68 0.48 -1.35 0.00 0.00 0.00 178.83 178.72 2dbh h PRO 39 N -1.00 0.00 0.00 -2.39 0.11 -1.98 0.31 132.00 127.05 2dbh h PRO 39 Ca -0.21 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.69 2dbh h PRO 39 Cb 1.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2dbh h PRO 39 CO -0.12 0.00 -1.05 0.82 -0.21 0.00 0.00 178.00 177.44 2dbh h ILE 40 N 0.00 1.52 0.05 4.15 2.04 -1.88 -3.06 117.51 120.33 2dbh h ILE 40 Ca 0.22 -3.21 -0.17 0.00 1.00 0.00 0.00 64.86 62.70 2dbh h ILE 40 Cb 1.18 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 2dbh h ILE 40 CO -0.00 0.86 -0.86 -0.26 0.00 0.00 0.00 178.15 177.90 2dbh h PHE 41 N 0.00 0.21 0.00 1.37 0.04 -0.59 -2.21 116.94 115.76 2dbh h PHE 41 Ca -0.05 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2dbh h PHE 41 Cb 1.76 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.90 2dbh h PHE 41 CO 0.00 1.33 0.00 0.22 -0.60 0.00 0.00 178.31 179.26 2dbh h ASP 42 N -0.71 0.00 0.00 2.17 3.58 -0.98 0.89 116.42 121.37 2dbh h ASP 42 Ca -0.20 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 56.97 2dbh h ASP 42 Cb 1.39 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.39 2dbh h ASP 42 CO -0.02 0.00 -2.18 -0.67 -2.88 0.00 0.00 179.24 173.49 2dbh n ASP 43 N -2.44 0.54 -0.03 2.28 -0.08 -1.16 -4.51 116.55 111.15 2dbh n ASP 43 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.26 2dbh n ASP 43 Cb 0.16 1.10 -0.13 0.00 2.34 0.00 0.00 41.12 44.59 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2dbh n MET 44 N -2.59 0.65 0.13 -0.67 2.81 -0.83 -4.19 117.12 112.43 2dbh n MET 44 Ca -0.25 0.07 0.14 0.00 -1.81 0.00 0.00 57.70 55.85 2dbh n MET 44 Cb 0.99 -1.65 0.66 0.00 -0.71 0.00 0.00 33.22 32.52 2dbh n MET 44 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dbh h LEU 45 N 0.00 0.00 -1.11 4.03 3.38 0.60 -0.83 115.31 121.39 2dbh h LEU 45 Ca -0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2dbh h LEU 45 Cb 1.76 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2dbh h LEU 45 CO 0.04 0.00 0.14 -0.74 0.09 0.00 0.00 178.44 177.96 2dbh h HIS 46 N 0.00 0.78 -0.03 1.13 2.76 -1.78 -2.18 115.15 115.84 2dbh h HIS 46 Ca 0.13 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2dbh h HIS 46 Cb 0.50 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2dbh h HIS 46 CO -0.00 0.66 -0.11 0.74 -1.30 0.00 0.00 177.93 177.91 2dbh h PHE 47 N 0.75 0.05 -3.87 5.26 -1.00 -1.38 -3.43 116.94 113.31 2dbh h PHE 47 Ca 0.17 -0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.50 2dbh h PHE 47 Cb 0.26 -0.01 0.16 0.00 3.61 0.00 0.00 35.95 39.96 2dbh h PHE 47 CO 0.01 0.16 0.20 -0.51 -1.61 0.00 0.00 178.31 176.56 2dbh s LEU 48 N -8.80 1.51 0.36 1.54 1.43 -0.82 -5.07 118.68 108.82 2dbh s LEU 48 Ca -0.05 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 2dbh s LEU 48 Cb 0.16 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2dbh s LEU 48 CO 0.70 -3.20 0.29 0.20 0.23 0.00 0.00 176.35 174.57 2dbh s ASN 49 N -3.59 5.16 0.34 2.29 0.01 -1.26 -4.92 114.94 112.97 2dbh s ASN 49 Ca 0.66 -0.59 0.03 0.00 -0.71 0.00 0.00 52.86 52.25 2dbh s ASN 49 Cb -0.17 -0.85 0.63 0.00 0.41 0.00 0.00 41.25 41.27 2dbh s ASN 49 CO 0.57 -0.42 1.97 1.55 -1.51 0.00 0.00 177.10 179.26 2dbh h PRO 50 N 1.23 0.86 -0.00 -0.60 0.13 -1.97 0.68 132.00 132.33 2dbh h PRO 50 Ca -0.44 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2dbh h PRO 50 Cb 1.26 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2dbh h PRO 50 CO 0.59 0.57 -0.75 1.49 -0.23 0.00 0.00 178.00 179.67 2dbh h GLU 51 N 0.89 0.00 0.12 0.86 4.81 -2.01 -3.11 114.58 116.13 2dbh h GLU 51 Ca 0.30 -0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.23 2dbh h GLU 51 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2dbh h GLU 51 CO -0.09 0.75 -1.46 0.93 -0.73 0.00 0.00 179.01 178.41 2dbh h GLU 52 N 0.00 0.25 -0.41 1.92 5.08 -1.69 -3.32 114.58 116.42 2dbh h GLU 52 Ca -0.01 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2dbh h GLU 52 Cb 1.32 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2dbh h GLU 52 CO 0.10 1.13 0.27 -0.07 -1.00 0.00 0.00 179.01 179.44 2dbh h LEU 53 N 0.07 0.47 -0.95 1.33 3.38 0.30 -1.66 115.31 118.24 2dbh h LEU 53 Ca -0.22 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2dbh h LEU 53 Cb 2.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2dbh h LEU 53 CO 0.17 0.35 -0.20 -0.09 0.09 0.00 0.00 178.44 178.76 2dbh h ARG 54 N 0.56 0.54 -0.09 1.13 2.43 -1.63 0.37 114.38 117.68 2dbh h ARG 54 Ca 0.15 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2dbh h ARG 54 Cb -0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2dbh h ARG 54 CO -0.03 0.71 -0.24 0.28 -1.51 0.00 0.00 179.97 179.18 2dbh h VAL 55 N 0.48 1.21 0.01 0.20 2.07 -1.41 -2.93 116.25 115.89 2dbh h VAL 55 Ca 0.08 -0.99 -0.31 0.00 0.82 0.00 0.00 66.70 66.30 2dbh h VAL 55 Cb 0.61 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2dbh h VAL 55 CO 0.04 0.29 -1.87 -0.38 0.02 0.00 0.00 177.57 175.68 2dbh n ILE 56 N -4.20 1.57 0.10 4.57 5.41 -1.00 -4.10 119.36 121.71 2dbh n ILE 56 Ca -0.01 -0.80 0.10 0.00 1.00 0.00 0.00 62.75 63.03 2dbh n ILE 56 Cb 0.33 -0.95 0.58 0.00 -0.71 0.00 0.00 39.64 38.88 2dbh n ILE 56 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dbh h GLU 57 N 0.00 0.19 -0.01 0.38 5.08 -0.12 -0.47 114.58 119.63 2dbh h GLU 57 Ca -0.35 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2dbh h GLU 57 Cb 2.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 2dbh h GLU 57 CO 0.07 0.12 -0.25 0.93 -1.00 0.00 0.00 179.01 178.88 2dbh h GLU 58 N 0.19 0.01 -6.49 2.33 5.08 -1.67 -3.41 114.58 110.63 2dbh h GLU 58 Ca 0.12 -0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.91 2dbh h GLU 58 Cb 0.25 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 2dbh h GLU 58 CO -0.02 0.26 1.00 0.42 -1.00 0.00 0.00 179.01 179.66 2dbh s ILE 59 N -4.49 4.08 0.01 3.13 1.01 -0.18 -4.91 121.20 119.84 2dbh s ILE 59 Ca -0.04 1.15 -0.19 0.00 0.00 0.00 0.00 60.65 61.57 2dbh s ILE 59 Cb 0.15 -4.27 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 2dbh s ILE 59 CO 0.71 -0.69 1.10 1.55 0.00 0.00 0.00 174.94 177.61 2dbh h PRO 60 N 9.78 0.43 -6.76 2.79 0.13 -1.84 -3.45 132.00 133.08 2dbh h PRO 60 Ca -0.26 -0.47 -0.52 0.00 -0.87 0.00 0.00 66.00 63.88 2dbh h PRO 60 Cb 1.09 0.14 0.05 0.00 0.13 0.00 0.00 31.00 32.41 2dbh h PRO 60 CO 1.07 1.13 0.69 -0.65 -0.23 0.00 0.00 178.00 180.01 2dbh s GLN 61 N -3.18 4.34 0.29 0.86 -0.21 -1.26 -4.92 119.66 115.58 2dbh s GLN 61 Ca -0.13 2.19 0.09 0.00 0.02 0.00 0.00 55.36 57.53 2dbh s GLN 61 Cb 0.04 -3.13 0.43 0.00 1.00 0.00 0.00 33.01 31.35 2dbh s GLN 61 CO 0.83 -0.29 1.66 0.00 -2.12 0.00 0.00 175.29 175.37 2dbh h ALA 62 N 4.68 1.06 0.68 6.09 0.00 -1.99 -2.31 119.26 127.47 2dbh h ALA 62 Ca -0.46 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 2dbh h ALA 62 Cb 1.22 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2dbh h ALA 62 CO 0.74 0.66 -0.33 0.93 0.00 0.00 0.00 179.25 181.25 2dbh h GLU 63 N 0.08 -0.88 -0.06 0.00 3.07 -1.98 -2.60 114.58 112.20 2dbh h GLU 63 Ca -0.00 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2dbh h GLU 63 Cb 0.95 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 2dbh h GLU 63 CO 0.07 -0.56 -0.12 0.22 -1.40 0.00 0.00 179.01 177.22 2dbh h ASP 64 N -1.03 0.08 -0.87 1.42 3.58 -1.97 -2.36 116.42 115.27 2dbh h ASP 64 Ca -0.09 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2dbh h ASP 64 Cb 0.73 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.71 2dbh h ASP 64 CO 0.15 0.22 0.57 0.50 -2.88 0.00 0.00 179.24 177.80 2dbh h LYS 65 N 0.08 1.09 0.00 0.28 3.64 -1.22 -1.47 116.57 118.97 2dbh h LYS 65 Ca 0.02 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2dbh h LYS 65 Cb 0.27 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2dbh h LYS 65 CO 0.02 0.72 -0.48 1.25 -2.27 0.00 0.00 179.45 178.69 2dbh h LEU 66 N 1.13 0.00 -1.57 5.20 5.85 -1.04 -2.09 115.31 122.79 2dbh h LEU 66 Ca 0.33 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2dbh h LEU 66 Cb -0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2dbh h LEU 66 CO -0.09 0.48 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.57 2dbh h ASP 67 N 0.00 0.08 0.40 1.25 3.58 -1.21 -2.54 116.42 117.98 2dbh h ASP 67 Ca -0.00 -0.01 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 2dbh h ASP 67 Cb 0.86 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 2dbh h ASP 67 CO 0.06 0.24 -1.72 -0.09 -2.88 0.00 0.00 179.24 174.86 2dbh h ARG 68 N 0.09 0.14 -0.36 0.28 2.43 -1.36 -3.17 114.38 112.41 2dbh h ARG 68 Ca 0.02 -0.24 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2dbh h ARG 68 Cb 0.32 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2dbh h ARG 68 CO 0.02 0.88 0.24 1.25 -1.51 0.00 0.00 179.97 180.85 2dbh h LEU 69 N 0.04 0.38 0.00 3.80 5.85 -1.12 -1.12 115.31 123.13 2dbh h LEU 69 Ca -0.30 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.22 2dbh h LEU 69 Cb 2.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.92 2dbh h LEU 69 CO 0.10 0.27 -1.10 -0.26 -0.34 0.00 0.00 178.44 177.12 2dbh h PHE 70 N 0.44 0.00 -0.14 1.25 -1.00 -1.59 -2.91 116.94 112.99 2dbh h PHE 70 Ca 0.14 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 2dbh h PHE 70 Cb 0.02 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 2dbh h PHE 70 CO -0.00 0.80 -0.08 1.49 -1.61 0.00 0.00 178.31 178.91 2dbh h GLU 71 N 0.00 0.30 0.30 1.51 4.81 -1.28 0.41 114.58 120.64 2dbh h GLU 71 Ca -0.09 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2dbh h GLU 71 Cb 1.69 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.07 2dbh h GLU 71 CO 0.09 0.65 -0.14 0.82 -0.73 0.00 0.00 179.01 179.69 2dbh h ILE 72 N -0.04 0.56 0.00 2.32 2.04 -1.38 -3.20 117.51 117.81 2dbh h ILE 72 Ca 0.03 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 2dbh h ILE 72 Cb 0.56 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2dbh h ILE 72 CO 0.02 0.12 -0.23 0.40 0.00 0.00 0.00 178.15 178.46 2dbh h ILE 73 N -0.92 1.12 -0.01 -0.67 2.04 -1.62 -2.38 117.51 115.07 2dbh h ILE 73 Ca -0.04 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2dbh h ILE 73 Cb 0.51 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2dbh h ILE 73 CO 0.07 0.23 0.01 1.23 0.00 0.00 0.00 178.15 179.69 2dbh h GLY 74 N 0.75 0.00 -1.59 5.37 0.00 -0.19 -1.91 103.07 105.50 2dbh h GLY 74 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2dbh h GLY 74 CO 0.03 0.00 -0.28 3.33 0.00 0.00 0.00 176.54 179.62 2dbh n VAL 75 N -4.16 2.40 -0.02 4.60 0.24 -0.91 -3.72 118.33 116.77 2dbh n VAL 75 Ca -0.03 -3.00 -0.02 0.00 -2.04 0.00 0.00 64.34 59.25 2dbh n VAL 75 Cb 0.10 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.17 2dbh n VAL 75 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dbh n LYS 76 N -1.12 0.14 -3.62 7.34 4.81 -0.72 -5.06 118.16 119.93 2dbh n LYS 76 Ca 0.27 0.06 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 2dbh n LYS 76 Cb 0.88 -0.69 -0.05 0.00 0.02 0.00 0.00 35.03 35.20 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dbh s SER 77 N -4.80 -0.16 0.61 3.14 0.15 -1.25 -5.01 113.70 106.38 2dbh s SER 77 Ca -0.08 0.18 0.32 0.00 0.70 0.00 0.00 55.95 57.07 2dbh s SER 77 Cb 0.01 0.14 1.86 0.00 -1.71 0.00 0.00 66.02 66.31 2dbh s SER 77 CO 0.12 -0.14 2.19 0.06 1.20 0.00 0.00 173.24 176.66 2dbh h GLN 78 N 2.27 0.00 -0.04 5.44 3.07 -1.94 -0.02 115.11 123.90 2dbh h GLN 78 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.57 2dbh h GLN 78 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 2dbh h GLN 78 CO 0.25 0.00 -0.20 0.93 0.09 0.00 0.00 178.83 179.90 2dbh h GLU 79 N 0.00 0.06 0.03 0.06 5.08 -1.97 -1.31 114.58 116.53 2dbh h GLU 79 Ca 0.03 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.00 2dbh h GLU 79 Cb 0.25 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2dbh h GLU 79 CO -0.00 0.26 -2.34 0.00 -1.00 0.00 0.00 179.01 175.93 2dbh n ALA 80 N -2.50 1.32 0.03 3.43 0.00 -0.17 -4.03 120.51 118.60 2dbh n ALA 80 Ca -0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.30 2dbh n ALA 80 Cb 0.28 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 2dbh n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dbh h SER 81 N 0.02 0.02 -0.37 0.00 0.87 -1.13 0.43 113.55 113.38 2dbh h SER 81 Ca -0.53 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.03 2dbh h SER 81 Cb 1.96 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.90 2dbh h SER 81 CO -0.04 0.03 0.25 -0.61 -0.53 0.00 0.00 176.83 175.93 2dbh h GLN 82 N 0.01 0.41 0.15 2.24 5.75 -1.46 -1.70 115.11 120.51 2dbh h GLN 82 Ca 0.01 -0.02 -0.28 0.00 -0.15 0.00 0.00 58.65 58.20 2dbh h GLN 82 Cb 0.01 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.48 2dbh h GLN 82 CO -0.00 0.27 -1.27 1.15 -2.65 0.00 0.00 178.83 176.33 2dbh h THR 83 N 0.42 1.45 -0.36 2.39 2.02 -1.57 -2.57 112.91 114.70 2dbh h THR 83 Ca 0.15 -2.95 -0.00 0.00 0.77 0.00 0.00 66.41 64.37 2dbh h THR 83 Cb 0.07 2.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 2dbh h THR 83 CO -0.03 0.87 0.20 0.25 0.37 0.00 0.00 175.52 177.18 2dbh h LEU 84 N 0.10 0.44 -0.49 2.58 5.85 0.58 0.23 115.31 124.60 2dbh h LEU 84 Ca -0.16 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 2dbh h LEU 84 Cb 1.99 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 2dbh h LEU 84 CO 0.22 0.38 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.99 2dbh h LEU 85 N 0.46 0.49 -0.70 2.25 3.38 -1.44 -3.13 115.31 116.63 2dbh h LEU 85 Ca 0.13 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2dbh h LEU 85 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dbh h LEU 85 CO -0.02 1.01 -0.46 0.44 0.09 0.00 0.00 178.44 179.49 2dbh h ASP 86 N 0.31 0.48 -0.70 -0.43 5.19 -1.19 -3.03 116.42 117.05 2dbh h ASP 86 Ca -0.01 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2dbh h ASP 86 Cb 1.19 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 2dbh h ASP 86 CO 0.11 0.87 0.40 -1.28 -3.12 0.00 0.00 179.24 176.23 2dbh h SER 87 N 0.36 0.88 -0.07 6.45 0.87 -0.50 0.84 113.55 122.38 2dbh h SER 87 Ca 0.02 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2dbh h SER 87 Cb 0.95 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2dbh h SER 87 CO 0.08 0.70 0.03 0.58 -0.53 0.00 0.00 176.83 177.69 2dbh h VAL 88 N 1.00 1.13 0.00 2.23 2.07 -1.50 -0.55 116.25 120.62 2dbh h VAL 88 Ca 0.25 -0.38 -0.22 0.00 0.82 0.00 0.00 66.70 67.18 2dbh h VAL 88 Cb 0.01 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2dbh h VAL 88 CO -0.04 0.11 -0.93 1.88 0.02 0.00 0.00 177.57 178.61 2dbh h TYR 89 N -0.04 0.52 -0.36 1.57 0.05 -1.47 0.14 116.97 117.39 2dbh h TYR 89 Ca 0.02 -0.29 -0.05 0.00 0.05 0.00 0.00 58.73 58.47 2dbh h TYR 89 Cb 0.15 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 2dbh h TYR 89 CO -0.02 1.10 0.02 1.03 -1.05 0.00 0.00 178.16 179.24 2dbh h SER 90 N 0.20 0.51 0.18 3.88 0.87 0.78 -3.11 113.55 116.85 2dbh h SER 90 Ca -0.07 -0.09 -0.36 0.00 -1.23 0.00 0.00 61.79 60.04 2dbh h SER 90 Cb 1.56 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 2dbh h SER 90 CO 0.16 0.56 -1.98 1.41 -0.53 0.00 0.00 176.83 176.45 2dbh n HIS 91 N -4.29 1.14 -3.58 2.24 8.25 -0.22 -4.67 115.22 114.08 2dbh n HIS 91 Ca 0.02 0.26 -0.40 0.00 -0.26 0.00 0.00 57.72 57.34 2dbh n HIS 91 Cb 0.23 -1.16 -0.07 0.00 1.12 0.00 0.00 29.99 30.12 2dbh n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dbh s LEU 92 N -6.84 5.75 0.45 2.41 1.43 0.47 -4.90 118.68 117.45 2dbh s LEU 92 Ca -0.20 -2.93 0.24 0.00 -1.03 0.00 0.00 54.13 50.21 2dbh s LEU 92 Cb 0.07 -1.97 1.05 0.00 0.03 0.00 0.00 46.19 45.36 2dbh s LEU 92 CO 0.77 -0.40 1.89 1.55 0.23 0.00 0.00 176.35 180.39 2dbh h PRO 93 N 7.12 0.00 -0.72 1.29 0.13 -1.82 -3.00 132.00 134.99 2dbh h PRO 93 Ca 0.05 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.23 2dbh h PRO 93 Cb 0.96 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 2dbh h PRO 93 CO 0.74 0.22 0.48 -0.44 -0.23 0.00 0.00 178.00 178.77 2dbh h ASP 94 N 0.00 0.69 -0.10 1.44 5.19 -1.90 -0.77 116.42 120.97 2dbh h ASP 94 Ca -0.00 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2dbh h ASP 94 Cb 0.63 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 2dbh h ASP 94 CO 0.03 0.46 0.05 -0.07 -3.12 0.00 0.00 179.24 176.58 2dbh h LEU 95 N 0.79 0.17 -9.97 1.55 3.38 -1.89 -3.42 115.31 105.92 2dbh h LEU 95 Ca 0.31 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.77 2dbh h LEU 95 Cb 0.20 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2dbh h LEU 95 CO -0.10 0.17 -0.50 -0.76 0.09 0.00 0.00 178.44 177.34 2dbh s LEU 96 N -9.12 3.90 0.00 1.67 1.43 -0.29 -5.03 118.68 111.24 2dbh s LEU 96 Ca -0.06 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2dbh s LEU 96 Cb 0.17 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2dbh s LEU 96 CO 0.70 -0.07 0.00 -0.24 0.23 0.00 0.00 176.35 176.97 2dbh n SER 97 N -1.24 0.30 0.00 2.29 2.88 -1.26 -4.92 113.62 111.67 2dbh n SER 97 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2dbh n SER 97 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 98 N 1.90 -1.52 3.77 0.46 0.00 -1.26 -4.95 105.19 103.58 2dbh n GLY 98 Ca 0.00 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2dbh n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbh s PRO 99 N -2.11 2.78 1.11 1.61 0.04 -1.26 -5.03 135.00 132.13 2dbh s PRO 99 Ca 0.00 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 2dbh s PRO 99 Cb 0.00 -1.95 0.24 0.00 0.04 0.00 0.00 34.50 32.83 2dbh s PRO 99 CO 0.00 -1.26 1.10 -1.12 0.04 0.00 0.00 177.00 175.75 2dbh s SER 100 N -2.67 1.70 -0.11 6.66 0.01 -1.26 -5.05 113.70 112.96 2dbh s SER 100 Ca 0.66 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.89 2dbh s SER 100 Cb -0.20 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.62 2dbh s SER 100 CO 0.43 -3.68 -0.22 -0.44 0.41 0.00 0.00 173.24 169.74 2dbh s SER 101 N -3.61 3.00 0.00 2.44 0.01 -1.26 -5.31 113.70 108.96 2dbh s SER 101 Ca 0.68 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2dbh s SER 101 Cb -0.15 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2dbh s SER 101 CO 0.57 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.95