#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh s SER 2 N 0.00 4.84 -0.40 1.61 0.01 -1.26 -5.01 113.70 113.49 2dbh s SER 2 Ca 0.00 -2.10 0.08 0.00 1.31 0.00 0.00 55.95 55.24 2dbh s SER 2 Cb 0.00 -1.66 0.18 0.00 0.21 0.00 0.00 66.02 64.75 2dbh s SER 2 CO 0.00 -0.40 0.63 -0.94 0.41 0.00 0.00 173.24 172.95 2dbh s SER 3 N 1.06 -1.53 -0.15 2.44 1.04 -1.26 -5.02 113.70 110.29 2dbh s SER 3 Ca 0.09 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.86 2dbh s SER 3 Cb -0.20 1.96 -0.23 0.00 0.10 0.00 0.00 66.02 67.65 2dbh s SER 3 CO -0.07 -0.18 0.25 0.61 0.98 0.00 0.00 173.24 174.83 2dbh n GLY 4 N 4.50 -0.66 1.47 7.32 0.00 -1.26 -5.10 105.19 111.47 2dbh n GLY 4 Ca 0.10 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2dbh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 5 N -3.25 -7.97 -3.64 1.61 2.88 -1.26 -5.05 113.62 96.94 2dbh n SER 5 Ca -0.32 1.59 -0.06 0.00 -1.33 0.00 0.00 58.87 58.74 2dbh n SER 5 Cb 1.05 -4.98 -0.07 0.00 -0.75 0.00 0.00 64.21 59.46 2dbh n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbh s SER 6 N -6.67 -0.47 -0.48 -3.46 1.04 -1.26 -5.12 113.70 97.28 2dbh s SER 6 Ca 0.00 0.84 0.06 0.00 0.48 0.00 0.00 55.95 57.33 2dbh s SER 6 Cb 0.00 1.00 0.18 0.00 0.10 0.00 0.00 66.02 67.30 2dbh s SER 6 CO 0.00 -0.14 0.61 -0.83 0.98 0.00 0.00 173.24 173.86 2dbh s GLY 7 N 0.69 -0.54 0.45 7.32 0.00 -1.26 -5.14 107.32 108.84 2dbh s GLY 7 Ca -0.02 -0.98 -0.22 0.00 0.00 0.00 0.00 44.72 43.51 2dbh s GLY 7 CO -0.10 3.21 1.08 -0.45 0.00 0.00 0.00 173.10 176.83 2dbh s SER 8 N 0.70 6.39 -0.15 1.64 0.15 -1.26 -4.97 113.70 116.20 2dbh s SER 8 Ca 0.30 2.07 0.13 0.00 0.70 0.00 0.00 55.95 59.15 2dbh s SER 8 Cb 0.00 -2.58 -0.18 0.00 -1.71 0.00 0.00 66.02 61.55 2dbh s SER 8 CO -0.09 -0.75 0.04 -0.24 1.20 0.00 0.00 173.24 173.40 2dbh n SER 9 N -0.57 1.31 0.15 5.45 2.88 -1.26 -4.44 113.62 117.13 2dbh n SER 9 Ca 0.08 -0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2dbh n SER 9 Cb 0.50 0.82 0.61 0.00 -0.75 0.00 0.00 64.21 65.39 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dbh h ALA 10 N 0.72 2.05 -3.54 -1.46 0.00 -1.96 -3.36 119.26 111.71 2dbh h ALA 10 Ca -0.41 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.81 2dbh h ALA 10 Cb 1.93 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 19.34 2dbh h ALA 10 CO 0.02 -0.10 -0.69 -0.51 0.00 0.00 0.00 179.25 177.97 2dbh s LEU 11 N -9.09 4.30 0.09 0.00 1.02 -1.26 -4.70 118.68 109.04 2dbh s LEU 11 Ca -0.06 -1.66 0.00 0.00 0.02 0.00 0.00 54.13 52.43 2dbh s LEU 11 Cb 0.18 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.70 2dbh s LEU 11 CO 0.70 -0.34 0.00 -0.24 0.02 0.00 0.00 176.35 176.49 2dbh n SER 12 N 4.49 -0.82 -3.04 2.29 2.88 -1.26 -4.83 113.62 113.34 2dbh n SER 12 Ca -0.07 0.56 -0.07 0.00 -1.33 0.00 0.00 58.87 57.96 2dbh n SER 12 Cb 0.42 1.14 0.07 0.00 -0.75 0.00 0.00 64.21 65.09 2dbh n SER 12 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2dbh n ARG 13 N -3.04 -2.62 0.09 -1.46 0.63 -1.26 -4.85 116.66 104.15 2dbh n ARG 13 Ca 0.00 -0.33 0.05 0.00 -0.92 0.00 0.00 57.85 56.65 2dbh n ARG 13 Cb 0.00 -0.43 0.50 0.00 0.45 0.00 0.00 32.46 32.98 2dbh n ARG 13 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2dbh h ASN 14 N -2.34 0.30 -2.83 6.15 4.21 -1.99 -3.36 115.58 115.73 2dbh h ASN 14 Ca -0.09 -0.01 -0.69 0.00 1.21 0.00 0.00 56.30 56.72 2dbh h ASN 14 Cb 0.30 -0.08 -0.19 0.00 -1.12 0.00 0.00 38.32 37.24 2dbh h ASN 14 CO 0.05 0.22 0.30 -0.83 -1.29 0.00 0.00 177.43 175.88 2dbh s GLY 15 N -3.83 1.74 -0.04 2.83 0.00 -1.26 -4.90 107.32 101.86 2dbh s GLY 15 Ca -0.07 -2.25 -0.01 0.00 0.00 0.00 0.00 44.72 42.39 2dbh s GLY 15 CO 0.71 1.73 -0.01 1.48 0.00 0.00 0.00 173.10 177.01 2dbh h SER 16 N 9.17 0.00 0.24 1.64 4.64 -1.84 -3.42 113.55 123.97 2dbh h SER 16 Ca -0.22 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.75 2dbh h SER 16 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2dbh h SER 16 CO 1.10 0.20 -1.81 -0.26 -0.87 0.00 0.00 176.83 175.20 2dbh h PHE 17 N -0.38 0.51 -3.43 4.77 0.04 -1.89 -3.42 116.94 113.13 2dbh h PHE 17 Ca 0.00 -0.37 -0.17 0.00 2.80 0.00 0.00 57.97 60.23 2dbh h PHE 17 Cb 0.03 -0.02 -0.24 0.00 2.20 0.00 0.00 35.95 37.92 2dbh h PHE 17 CO -0.01 1.61 -0.52 0.42 -0.60 0.00 0.00 178.31 179.20 2dbh s ILE 18 N -2.58 0.04 0.53 -0.55 1.01 -1.24 -4.90 121.20 113.51 2dbh s ILE 18 Ca -0.16 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.26 2dbh s ILE 18 Cb 0.06 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.27 2dbh s ILE 18 CO 0.82 -0.17 0.61 0.42 0.00 0.00 0.00 174.94 176.62 2dbh s THR 19 N -0.56 2.15 0.03 2.92 -4.23 -1.26 -4.51 115.64 110.17 2dbh s THR 19 Ca -0.06 -1.18 -0.14 0.00 -1.18 0.00 0.00 61.69 59.13 2dbh s THR 19 Cb -0.04 -2.33 -0.34 0.00 1.34 0.00 0.00 72.50 71.13 2dbh s THR 19 CO 0.01 0.00 0.98 0.11 -0.54 0.00 0.00 174.62 175.17 2dbh h LYS 20 N 0.49 0.49 -0.53 3.99 1.57 -1.98 -3.30 116.57 117.30 2dbh h LYS 20 Ca -0.34 -0.84 0.02 0.00 -1.87 0.00 0.00 60.65 57.62 2dbh h LYS 20 Cb 1.29 0.31 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 2dbh h LYS 20 CO 0.48 1.40 0.35 1.49 -0.57 0.00 0.00 179.45 182.60 2dbh h GLU 21 N 0.13 0.64 0.30 3.15 4.57 -2.00 -2.53 114.58 118.85 2dbh h GLU 21 Ca -0.25 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2dbh h GLU 21 Cb 2.14 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.59 2dbh h GLU 21 CO 0.26 0.42 -0.14 0.87 -1.18 0.00 0.00 179.01 179.24 2dbh h LYS 22 N 0.66 -0.39 -0.35 1.92 1.57 -1.98 -2.38 116.57 115.63 2dbh h LYS 22 Ca 0.20 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 2dbh h LYS 22 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2dbh h LYS 22 CO -0.05 -0.25 0.24 0.87 -0.57 0.00 0.00 179.45 179.69 2dbh h LYS 23 N -0.42 0.20 -0.28 3.15 1.57 -1.57 -1.98 116.57 117.24 2dbh h LYS 23 Ca -0.04 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2dbh h LYS 23 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2dbh h LYS 23 CO 0.07 0.13 0.11 0.22 -0.57 0.00 0.00 179.45 179.41 2dbh h ASP 24 N 0.21 0.38 -0.89 0.86 1.82 -1.03 -2.64 116.42 115.12 2dbh h ASP 24 Ca 0.15 -0.16 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2dbh h ASP 24 Cb 0.35 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 2dbh h ASP 24 CO -0.03 0.44 0.59 0.74 -1.61 0.00 0.00 179.24 179.37 2dbh h THR 25 N 0.30 1.22 -0.32 2.25 2.02 -0.96 0.24 112.91 117.66 2dbh h THR 25 Ca 0.09 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.87 2dbh h THR 25 Cb 0.18 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2dbh h THR 25 CO -0.01 0.22 0.20 0.58 0.37 0.00 0.00 175.52 176.88 2dbh h VAL 26 N 1.19 1.06 -0.01 3.16 2.07 -1.24 -1.87 116.25 120.62 2dbh h VAL 26 Ca 0.33 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.53 2dbh h VAL 26 Cb -0.12 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2dbh h VAL 26 CO -0.08 0.07 -0.80 -0.07 0.02 0.00 0.00 177.57 176.71 2dbh h LEU 27 N 0.41 0.18 -0.69 2.57 3.38 -1.12 -3.19 115.31 116.85 2dbh h LEU 27 Ca 0.12 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dbh h LEU 27 Cb -0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2dbh h LEU 27 CO -0.04 0.91 0.45 -0.09 0.09 0.00 0.00 178.44 179.76 2dbh h ARG 28 N 0.09 0.87 0.00 1.13 2.43 -0.19 0.76 114.38 119.47 2dbh h ARG 28 Ca -0.03 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2dbh h ARG 28 Cb 1.40 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2dbh h ARG 28 CO 0.12 0.58 -0.33 1.96 -1.51 0.00 0.00 179.97 180.79 2dbh h GLN 29 N 0.90 0.00 0.08 0.20 4.20 -1.37 -2.92 115.11 116.20 2dbh h GLN 29 Ca 0.26 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.68 2dbh h GLN 29 Cb -0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2dbh h GLN 29 CO -0.08 0.33 -1.53 0.28 -0.67 0.00 0.00 178.83 177.16 2dbh h VAL 30 N 0.00 1.13 -0.18 -0.54 2.07 -1.31 -3.32 116.25 114.10 2dbh h VAL 30 Ca -0.00 -2.82 0.04 0.00 0.82 0.00 0.00 66.70 64.73 2dbh h VAL 30 Cb 0.59 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2dbh h VAL 30 CO 0.04 0.78 0.12 0.03 0.02 0.00 0.00 177.57 178.57 2dbh h ARG 31 N 0.05 0.08 0.38 1.57 3.08 0.68 -2.73 114.38 117.49 2dbh h ARG 31 Ca -0.24 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2dbh h ARG 31 Cb 1.99 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.02 2dbh h ARG 31 CO 0.14 0.05 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.84 2dbh h LEU 32 N 0.08 -0.43 -8.25 3.04 3.38 -1.63 -3.47 115.31 108.04 2dbh h LEU 32 Ca 0.08 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2dbh h LEU 32 Cb 0.22 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.93 2dbh h LEU 32 CO -0.01 -0.06 -0.63 -1.81 0.09 0.00 0.00 178.44 176.02 2dbh s ASP 33 N -4.97 0.39 0.39 -0.43 1.11 -1.03 -5.15 116.67 106.98 2dbh s ASP 33 Ca -0.14 -1.02 -0.26 0.00 0.18 0.00 0.00 52.55 51.31 2dbh s ASP 33 Cb 0.02 0.25 -0.09 0.00 1.07 0.00 0.00 42.92 44.17 2dbh s ASP 33 CO 0.51 -0.66 1.18 -2.16 1.18 0.00 0.00 175.17 175.22 2dbh s PRO 34 N -3.95 4.08 0.23 8.23 0.04 -1.26 -4.48 135.00 137.89 2dbh s PRO 34 Ca 0.12 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 2dbh s PRO 34 Cb 0.07 -2.72 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 2dbh s PRO 34 CO -0.06 -0.30 0.43 0.00 0.04 0.00 0.00 177.00 177.11 2dbh s ASP 36 N -3.00 7.24 -0.07 0.00 2.15 -1.26 -4.92 116.67 116.80 2dbh s ASP 36 Ca 0.21 1.80 0.19 0.00 0.43 0.00 0.00 52.55 55.18 2dbh s ASP 36 Cb 0.00 -2.57 0.39 0.00 -0.30 0.00 0.00 42.92 40.44 2dbh s ASP 36 CO 0.07 -0.37 1.17 0.18 -0.17 0.00 0.00 175.17 176.05 2dbh n LEU 37 N 4.03 1.53 -0.10 -1.34 4.77 -1.26 -4.85 117.00 119.77 2dbh n LEU 37 Ca 0.07 -2.58 -0.18 0.00 -0.03 0.00 0.00 56.01 53.30 2dbh n LEU 37 Cb 0.49 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2dbh n LEU 37 CO 0.53 0.78 -0.70 1.67 -1.33 0.00 0.00 177.39 178.35 2dbh n GLN 38 N -0.14 0.54 0.07 3.23 -0.06 -1.26 -4.23 117.38 115.52 2dbh n GLN 38 Ca 0.10 0.45 0.19 0.00 -2.00 0.00 0.00 57.00 55.75 2dbh n GLN 38 Cb 0.94 -1.64 0.73 0.00 -4.06 0.00 0.00 30.24 26.21 2dbh n GLN 38 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 2dbh h PRO 39 N -1.00 0.00 0.00 3.69 0.11 -1.98 0.18 132.00 133.00 2dbh h PRO 39 Ca -0.30 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2dbh h PRO 39 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2dbh h PRO 39 CO -0.18 0.00 -0.22 0.82 -0.21 0.00 0.00 178.00 178.21 2dbh h ILE 40 N 0.00 0.62 0.00 4.15 2.04 -1.87 -2.63 117.51 119.82 2dbh h ILE 40 Ca 0.20 -1.03 -0.45 0.00 1.00 0.00 0.00 64.86 64.57 2dbh h ILE 40 Cb 0.88 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 2dbh h ILE 40 CO -0.00 0.22 -2.48 0.49 0.00 0.00 0.00 178.15 176.37 2dbh n PHE 41 N -3.49 0.06 0.21 1.37 3.01 0.39 -3.58 117.46 115.43 2dbh n PHE 41 Ca -0.00 0.03 0.18 0.00 1.01 0.00 0.00 57.45 58.66 2dbh n PHE 41 Cb 0.39 -1.01 0.84 0.00 -0.01 0.00 0.00 39.48 39.69 2dbh n PHE 41 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2dbh h ASP 42 N -0.97 0.00 0.44 4.37 3.58 -1.02 0.96 116.42 123.78 2dbh h ASP 42 Ca -0.69 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.49 2dbh h ASP 42 Cb 1.61 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.61 2dbh h ASP 42 CO -0.41 0.00 -1.77 -0.67 -2.88 0.00 0.00 179.24 173.51 2dbh n ASP 43 N -3.60 0.70 0.06 2.28 2.03 -0.99 -4.13 116.55 112.90 2dbh n ASP 43 Ca 0.02 0.33 0.12 0.00 0.52 0.00 0.00 54.79 55.77 2dbh n ASP 43 Cb 0.38 0.21 0.07 0.00 -0.72 0.00 0.00 41.12 41.06 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2dbh n MET 44 N -2.94 0.40 -0.04 -0.67 2.81 -0.10 -4.06 117.12 112.52 2dbh n MET 44 Ca -0.18 0.06 0.23 0.00 -1.81 0.00 0.00 57.70 56.00 2dbh n MET 44 Cb 1.01 -1.70 0.71 0.00 -0.71 0.00 0.00 33.22 32.53 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 -0.39 4.03 3.38 0.70 0.32 115.31 123.34 2dbh h LEU 45 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2dbh h LEU 45 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2dbh h LEU 45 CO 0.00 0.00 -0.67 -0.74 0.09 0.00 0.00 178.44 177.12 2dbh h HIS 46 N 0.00 0.00 0.00 1.13 2.76 -1.81 -3.19 115.15 114.04 2dbh h HIS 46 Ca 0.29 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.28 2dbh h HIS 46 Cb 1.22 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.16 2dbh h HIS 46 CO 0.00 0.67 -0.86 0.74 -1.30 0.00 0.00 177.93 177.18 2dbh h PHE 47 N 0.00 0.10 -2.91 5.26 -1.00 -0.62 -3.45 116.94 114.31 2dbh h PHE 47 Ca -0.01 -0.06 -0.45 0.00 2.81 0.00 0.00 57.97 60.27 2dbh h PHE 47 Cb 1.34 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 40.96 2dbh h PHE 47 CO 0.00 0.89 0.12 -0.51 -1.61 0.00 0.00 178.31 177.20 2dbh s LEU 48 N -7.18 3.01 0.29 1.54 1.43 -0.79 -5.10 118.68 111.87 2dbh s LEU 48 Ca -0.01 0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.26 2dbh s LEU 48 Cb 0.11 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2dbh s LEU 48 CO 0.81 -1.60 -0.11 0.20 0.23 0.00 0.00 176.35 175.88 2dbh s ASN 49 N -4.57 3.95 0.33 2.29 0.01 -1.26 -4.94 114.94 110.75 2dbh s ASN 49 Ca 0.62 -0.92 0.08 0.00 -0.71 0.00 0.00 52.86 51.93 2dbh s ASN 49 Cb -0.09 -0.49 0.80 0.00 0.41 0.00 0.00 41.25 41.88 2dbh s ASN 49 CO 0.43 -0.02 1.80 -0.65 -1.51 0.00 0.00 177.10 177.15 2dbh h PRO 50 N 2.09 0.69 -0.20 -0.60 0.11 -1.98 0.21 132.00 132.31 2dbh h PRO 50 Ca -0.42 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2dbh h PRO 50 Cb 1.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2dbh h PRO 50 CO 0.62 0.45 -0.39 1.49 -0.21 0.00 0.00 178.00 179.96 2dbh h GLU 51 N 0.71 0.46 0.02 1.05 4.57 -2.00 -1.74 114.58 117.64 2dbh h GLU 51 Ca 0.54 -0.22 -0.21 0.00 -1.18 0.00 0.00 59.36 58.29 2dbh h GLU 51 Cb 0.92 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2dbh h GLU 51 CO -0.32 0.78 -0.94 0.93 -1.18 0.00 0.00 179.01 178.29 2dbh h GLU 52 N 0.38 0.22 0.00 1.92 5.08 -1.32 -3.22 114.58 117.65 2dbh h GLU 52 Ca 0.04 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2dbh h GLU 52 Cb 0.86 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2dbh h GLU 52 CO 0.07 1.01 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.42 2dbh h LEU 53 N 0.12 0.00 -1.92 1.33 3.38 -0.57 -3.07 115.31 114.58 2dbh h LEU 53 Ca -0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2dbh h LEU 53 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2dbh h LEU 53 CO 0.15 0.61 0.18 -0.09 0.09 0.00 0.00 178.44 179.37 2dbh h ARG 54 N 0.00 0.10 0.02 1.13 9.65 -1.32 0.45 114.38 124.42 2dbh h ARG 54 Ca -0.01 -0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 58.66 2dbh h ARG 54 Cb 1.14 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2dbh h ARG 54 CO 0.08 0.07 -0.95 0.28 2.80 0.00 0.00 179.97 182.25 2dbh h VAL 55 N 0.10 1.56 0.00 0.20 2.07 -1.66 -3.27 116.25 115.25 2dbh h VAL 55 Ca 0.11 -2.88 -0.24 0.00 0.82 0.00 0.00 66.70 64.52 2dbh h VAL 55 Cb 0.33 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2dbh h VAL 55 CO -0.01 0.83 -1.25 0.40 0.02 0.00 0.00 177.57 177.56 2dbh h ILE 56 N 0.06 1.42 -0.39 4.57 2.04 -1.23 -3.31 117.51 120.68 2dbh h ILE 56 Ca -0.05 -3.17 0.03 0.00 1.00 0.00 0.00 64.86 62.67 2dbh h ILE 56 Cb 1.62 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 40.39 2dbh h ILE 56 CO 0.14 0.81 0.26 -0.33 0.00 0.00 0.00 178.15 179.03 2dbh h GLU 57 N 0.00 0.40 -0.56 2.37 5.08 -0.21 -1.42 114.58 120.24 2dbh h GLU 57 Ca -0.11 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2dbh h GLU 57 Cb 1.86 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 2dbh h GLU 57 CO 0.11 0.27 0.37 0.93 -1.00 0.00 0.00 179.01 179.69 2dbh h GLU 58 N 0.42 0.59 -6.45 2.33 5.08 -1.64 -3.39 114.58 111.51 2dbh h GLU 58 Ca 0.16 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.91 2dbh h GLU 58 Cb 0.11 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2dbh h GLU 58 CO -0.04 0.39 1.08 0.42 -1.00 0.00 0.00 179.01 179.86 2dbh s ILE 59 N -5.54 3.89 0.04 3.13 1.01 -0.54 -4.90 121.20 118.28 2dbh s ILE 59 Ca -0.09 0.93 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 2dbh s ILE 59 Cb 0.18 -4.10 -0.16 0.00 0.01 0.00 0.00 42.46 38.40 2dbh s ILE 59 CO 0.75 -0.64 1.28 1.55 0.00 0.00 0.00 174.94 177.88 2dbh h PRO 60 N 10.67 0.46 -7.24 2.79 0.13 -1.85 -3.45 132.00 133.50 2dbh h PRO 60 Ca -0.28 -0.31 -0.52 0.00 -0.87 0.00 0.00 66.00 64.01 2dbh h PRO 60 Cb 1.11 0.04 0.17 0.00 0.13 0.00 0.00 31.00 32.46 2dbh h PRO 60 CO 1.06 0.92 0.31 -0.65 -0.23 0.00 0.00 178.00 179.41 2dbh s GLN 61 N -3.94 1.69 -0.06 0.86 1.11 -1.26 -4.97 119.66 113.08 2dbh s GLN 61 Ca -0.13 1.55 0.07 0.00 0.01 0.00 0.00 55.36 56.86 2dbh s GLN 61 Cb 0.05 -1.80 -0.24 0.00 -1.01 0.00 0.00 33.01 30.01 2dbh s GLN 61 CO 0.79 -2.14 0.58 0.00 0.01 0.00 0.00 175.29 174.54 2dbh n ALA 62 N -3.52 1.31 0.13 6.09 0.00 -1.26 -3.31 120.51 119.95 2dbh n ALA 62 Ca 0.12 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.71 2dbh n ALA 62 Cb 0.52 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 2dbh n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dbh h GLU 63 N 0.02 -0.29 0.00 0.00 4.81 -1.99 -2.93 114.58 114.21 2dbh h GLU 63 Ca -0.33 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 2dbh h GLU 63 Cb 2.02 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.46 2dbh h GLU 63 CO 0.08 -0.04 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.61 2dbh h ASP 64 N -0.52 0.00 -0.96 1.04 5.19 -1.98 -2.71 116.42 116.47 2dbh h ASP 64 Ca -0.03 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2dbh h ASP 64 Cb 0.39 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.84 2dbh h ASP 64 CO 0.05 0.27 0.63 0.50 -3.12 0.00 0.00 179.24 177.57 2dbh h LYS 65 N 0.00 1.16 -0.48 3.56 3.64 -1.51 -1.90 116.57 121.04 2dbh h LYS 65 Ca -0.00 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2dbh h LYS 65 Cb 0.49 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2dbh h LYS 65 CO 0.04 0.77 -0.07 1.25 -2.27 0.00 0.00 179.45 179.16 2dbh h LEU 66 N 1.19 0.84 -1.91 5.20 5.85 -1.31 -2.11 115.31 123.08 2dbh h LEU 66 Ca 0.39 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2dbh h LEU 66 Cb 0.04 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2dbh h LEU 66 CO -0.13 0.95 0.03 -0.78 -0.34 0.00 0.00 178.44 178.17 2dbh h ASP 67 N 0.78 0.08 0.79 1.25 1.82 -1.36 -1.81 116.42 117.97 2dbh h ASP 67 Ca 0.13 -0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.53 2dbh h ASP 67 Cb 0.57 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 2dbh h ASP 67 CO 0.03 0.07 -1.25 -0.09 -1.61 0.00 0.00 179.24 176.39 2dbh h ARG 68 N 0.09 0.04 -0.14 0.28 9.65 -1.21 -3.12 114.38 119.98 2dbh h ARG 68 Ca 0.02 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2dbh h ARG 68 Cb 0.01 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2dbh h ARG 68 CO -0.00 0.89 -0.01 1.25 2.80 0.00 0.00 179.97 184.90 2dbh h LEU 69 N 0.01 0.17 0.00 3.80 5.85 -0.66 -2.10 115.31 122.37 2dbh h LEU 69 Ca -0.11 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.39 2dbh h LEU 69 Cb 1.87 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 2dbh h LEU 69 CO 0.12 0.22 -1.18 -0.26 -0.34 0.00 0.00 178.44 177.00 2dbh h PHE 70 N 0.19 0.00 -0.05 1.25 -1.00 -1.58 -2.96 116.94 112.80 2dbh h PHE 70 Ca 0.05 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 2dbh h PHE 70 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2dbh h PHE 70 CO 0.00 0.78 -0.13 1.49 -1.61 0.00 0.00 178.31 178.84 2dbh h GLU 71 N 0.00 0.07 0.00 1.51 4.22 -1.32 0.62 114.58 119.68 2dbh h GLU 71 Ca -0.12 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.31 2dbh h GLU 71 Cb 1.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2dbh h GLU 71 CO 0.08 0.21 -0.41 0.82 -2.18 0.00 0.00 179.01 177.53 2dbh h ILE 72 N 0.07 0.00 0.00 2.32 2.04 -1.60 -3.39 117.51 116.95 2dbh h ILE 72 Ca 0.01 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2dbh h ILE 72 Cb 0.28 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2dbh h ILE 72 CO 0.02 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.50 2dbh h ILE 73 N -0.82 0.50 -0.19 -0.67 2.04 -1.60 -2.39 117.51 114.39 2dbh h ILE 73 Ca 0.00 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2dbh h ILE 73 Cb 0.41 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2dbh h ILE 73 CO 0.00 0.07 0.23 1.23 0.00 0.00 0.00 178.15 179.68 2dbh h GLY 74 N 0.56 0.00 -3.57 5.37 0.00 0.07 -1.67 103.07 103.83 2dbh h GLY 74 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2dbh h GLY 74 CO 0.01 0.00 -0.82 3.33 0.00 0.00 0.00 176.54 179.06 2dbh n VAL 75 N -3.72 2.31 0.00 4.60 0.24 -0.90 -3.65 118.33 117.21 2dbh n VAL 75 Ca 0.02 -3.91 0.00 0.00 -2.04 0.00 0.00 64.34 58.41 2dbh n VAL 75 Cb 0.35 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 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 -0.73 0.00 -3.69 7.34 4.81 -0.63 -5.09 118.16 120.18 2dbh n LYS 76 Ca 0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.78 2dbh n LYS 76 Cb 0.92 -0.37 -0.01 0.00 0.02 0.00 0.00 35.03 35.59 2dbh n LYS 76 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2dbh s SER 77 N -4.22 -0.16 0.38 3.14 0.01 -1.26 -5.03 113.70 106.57 2dbh s SER 77 Ca 0.00 -0.27 0.19 0.00 1.31 0.00 0.00 55.95 57.18 2dbh s SER 77 Cb 0.00 0.37 0.71 0.00 0.21 0.00 0.00 66.02 67.31 2dbh s SER 77 CO 0.00 -0.67 1.75 0.06 0.41 0.00 0.00 173.24 174.78 2dbh h GLN 78 N 2.00 0.00 -0.03 12.44 3.07 -1.97 0.24 115.11 130.86 2dbh h GLN 78 Ca -0.25 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.37 2dbh h GLN 78 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.77 2dbh h GLN 78 CO 0.27 0.36 -0.52 1.49 0.09 0.00 0.00 178.83 180.52 2dbh h GLU 79 N 0.00 0.09 0.00 0.06 4.81 -1.99 -2.31 114.58 115.23 2dbh h GLU 79 Ca -0.00 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 58.82 2dbh h GLU 79 Cb 0.87 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 2dbh h GLU 79 CO 0.05 0.58 -2.26 0.00 -0.73 0.00 0.00 179.01 176.64 2dbh n ALA 80 N -2.45 1.48 -0.03 2.92 0.00 -1.12 -3.89 120.51 117.42 2dbh n ALA 80 Ca -0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 53.44 52.10 2dbh n ALA 80 Cb 0.54 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 0.19 -0.32 0.00 0.87 -0.55 -1.75 113.55 111.99 2dbh h SER 81 Ca -0.50 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 59.76 2dbh h SER 81 Cb 2.18 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 64.07 2dbh h SER 81 CO 0.03 0.43 0.14 -0.61 -0.53 0.00 0.00 176.83 176.29 2dbh h GLN 82 N -0.05 0.47 -0.09 2.24 -0.00 -1.63 -1.98 115.11 114.07 2dbh h GLN 82 Ca 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 2dbh h GLN 82 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 2dbh h GLN 82 CO 0.00 0.46 0.03 1.15 0.00 0.00 0.00 178.83 180.47 2dbh h THR 83 N 0.38 1.04 -0.01 2.39 2.02 -1.66 0.51 112.91 117.58 2dbh h THR 83 Ca 0.11 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 2dbh h THR 83 Cb 0.15 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2dbh h THR 83 CO -0.01 0.05 -0.75 0.25 0.37 0.00 0.00 175.52 175.43 2dbh h LEU 84 N 0.12 0.13 0.10 2.58 5.85 -0.84 0.12 115.31 123.36 2dbh h LEU 84 Ca 0.03 -0.09 -0.31 0.00 0.84 0.00 0.00 57.88 58.35 2dbh h LEU 84 Cb 0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2dbh h LEU 84 CO -0.00 0.83 -1.65 -0.07 -0.34 0.00 0.00 178.44 177.21 2dbh h LEU 85 N 0.06 0.34 -0.06 2.25 3.38 -0.53 -3.31 115.31 117.44 2dbh h LEU 85 Ca -0.02 -0.54 -0.25 0.00 0.09 0.00 0.00 57.88 57.16 2dbh h LEU 85 Cb 1.32 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2dbh h LEU 85 CO 0.11 1.46 -1.05 -0.78 0.09 0.00 0.00 178.44 178.26 2dbh h ASP 86 N 0.06 0.62 -0.12 -0.43 3.58 -0.08 -3.21 116.42 116.84 2dbh h ASP 86 Ca -0.28 -0.53 0.01 0.00 0.42 0.00 0.00 57.03 56.64 2dbh h ASP 86 Cb 2.02 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.87 2dbh h ASP 86 CO 0.14 1.35 0.08 -1.28 -2.88 0.00 0.00 179.24 176.64 2dbh h SER 87 N 0.23 0.11 -0.34 2.28 0.87 -1.11 0.78 113.55 116.37 2dbh h SER 87 Ca -0.11 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 2dbh h SER 87 Cb 1.71 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 2dbh h SER 87 CO 0.19 0.08 -0.20 0.58 -0.53 0.00 0.00 176.83 176.95 2dbh h VAL 88 N 0.14 1.29 0.03 2.23 2.07 -1.64 -2.25 116.25 118.11 2dbh h VAL 88 Ca 0.04 -1.33 -0.25 0.00 0.82 0.00 0.00 66.70 65.99 2dbh h VAL 88 Cb 0.02 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2dbh h VAL 88 CO -0.01 0.43 -1.28 1.88 0.02 0.00 0.00 177.57 178.61 2dbh h TYR 89 N 0.50 0.11 -0.07 1.57 0.05 -1.44 -1.44 116.97 116.25 2dbh h TYR 89 Ca 0.07 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2dbh h TYR 89 Cb 0.74 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2dbh h TYR 89 CO 0.06 1.09 -0.24 1.03 -1.05 0.00 0.00 178.16 179.05 2dbh h SER 90 N 0.02 0.12 0.07 3.88 0.87 0.55 -3.19 113.55 115.86 2dbh h SER 90 Ca -0.13 -0.03 -0.37 0.00 -1.23 0.00 0.00 61.79 60.03 2dbh h SER 90 Cb 1.89 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.78 2dbh h SER 90 CO 0.13 0.37 -2.16 1.41 -0.53 0.00 0.00 176.83 176.05 2dbh n HIS 91 N -4.20 0.77 -3.54 2.24 8.25 -0.85 -4.74 115.22 113.14 2dbh n HIS 91 Ca -0.01 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 2dbh n HIS 91 Cb 0.33 -1.10 -0.07 0.00 1.12 0.00 0.00 29.99 30.27 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 -6.90 5.85 0.44 2.41 1.43 -0.54 -4.92 118.68 116.46 2dbh s LEU 92 Ca -0.28 -2.46 0.22 0.00 -1.03 0.00 0.00 54.13 50.59 2dbh s LEU 92 Cb 0.08 -2.02 1.02 0.00 0.03 0.00 0.00 46.19 45.30 2dbh s LEU 92 CO 0.70 -0.55 1.89 1.55 0.23 0.00 0.00 176.35 180.17 2dbh h PRO 93 N 7.78 0.00 -0.29 1.29 0.13 -1.84 -2.89 132.00 136.18 2dbh h PRO 93 Ca -0.06 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.12 2dbh h PRO 93 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2dbh h PRO 93 CO 0.78 0.25 0.20 -0.44 -0.23 0.00 0.00 178.00 178.56 2dbh h ASP 94 N 0.00 0.18 0.03 1.44 5.19 -1.91 -0.70 116.42 120.64 2dbh h ASP 94 Ca -0.00 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 2dbh h ASP 94 Cb 0.62 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2dbh h ASP 94 CO 0.03 0.12 -0.14 -0.07 -3.12 0.00 0.00 179.24 176.06 2dbh h LEU 95 N 0.20 0.23-10.04 1.55 3.38 -1.87 -3.43 115.31 105.34 2dbh h LEU 95 Ca 0.13 -0.05 -0.45 0.00 0.09 0.00 0.00 57.88 57.60 2dbh h LEU 95 Cb 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2dbh h LEU 95 CO -0.02 0.40 0.35 -0.76 0.09 0.00 0.00 178.44 178.50 2dbh s LEU 96 N -8.75 3.98 0.00 1.67 1.43 -0.27 -5.08 118.68 111.66 2dbh s LEU 96 Ca -0.05 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 2dbh s LEU 96 Cb 0.15 -4.48 0.02 0.00 0.03 0.00 0.00 46.19 41.91 2dbh s LEU 96 CO 0.74 -0.37 0.15 -0.24 0.23 0.00 0.00 176.35 176.86 2dbh n SER 97 N -0.53 0.92 0.00 2.29 2.88 -1.26 -4.93 113.62 112.99 2dbh n SER 97 Ca 0.07 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 2dbh n SER 97 Cb 0.53 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 3.33 1.30 3.66 0.46 0.00 -1.26 -4.69 105.19 107.99 2dbh n GLY 98 Ca 0.02 0.45 -0.51 0.00 0.00 0.00 0.00 46.02 45.97 2dbh n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dbh n PRO 99 N 0.00 1.72 -0.07 1.61 -0.02 -1.26 -4.86 135.00 132.12 2dbh n PRO 99 Ca 0.00 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 2dbh n PRO 99 Cb 0.00 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 30.87 2dbh n PRO 99 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2dbh n SER 100 N 6.75 0.70 -3.89 2.55 7.64 -1.26 -5.00 113.62 121.12 2dbh n SER 100 Ca 0.26 0.12 -0.12 0.00 1.01 0.00 0.00 58.87 60.15 2dbh n SER 100 Cb 0.24 0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 2dbh n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dbh s SER 101 N -5.94 0.26 0.00 6.43 0.01 -1.26 -5.03 113.70 108.17 2dbh s SER 101 Ca -0.13 -1.22 0.09 0.00 1.31 0.00 0.00 55.95 56.00 2dbh s SER 101 Cb 0.07 0.53 0.07 0.00 0.21 0.00 0.00 66.02 66.91 2dbh s SER 101 CO 0.79 -1.07 0.78 0.61 0.41 0.00 0.00 173.24 174.76