#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 -0.22 -0.04 1.61 0.15 -1.26 -5.17 113.70 108.78 2dbh s SER 2 Ca 0.00 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 56.03 2dbh s SER 2 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dbh s SER 2 CO 0.00 -1.18 -0.12 -0.44 1.20 0.00 0.00 173.24 172.70 2dbh s SER 3 N -2.93 1.56 -1.33 5.45 0.01 -1.26 -5.04 113.70 110.15 2dbh s SER 3 Ca 0.14 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.06 2dbh s SER 3 Cb -0.03 -0.46 -0.06 0.00 0.21 0.00 0.00 66.02 65.68 2dbh s SER 3 CO 0.04 0.09 2.93 0.61 0.41 0.00 0.00 173.24 177.31 2dbh n GLY 4 N 3.31 4.30 2.81 3.44 0.00 -1.26 -4.69 105.19 113.10 2dbh n GLY 4 Ca -0.19 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 2dbh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbh n SER 5 N 2.98 -7.92 -3.83 1.61 7.64 -1.26 -5.07 113.62 107.78 2dbh n SER 5 Ca 0.70 0.72 -0.08 0.00 1.01 0.00 0.00 58.87 61.23 2dbh n SER 5 Cb 0.33 -5.35 -0.02 0.00 -1.01 0.00 0.00 64.21 58.16 2dbh n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dbh s SER 6 N -2.39 -0.20 -0.10 6.43 0.15 -1.26 -5.17 113.70 111.16 2dbh s SER 6 Ca 0.20 -0.72 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2dbh s SER 6 Cb -0.05 0.71 0.05 0.00 -1.71 0.00 0.00 66.02 65.01 2dbh s SER 6 CO 0.76 -1.32 0.22 -0.83 1.20 0.00 0.00 173.24 173.27 2dbh s GLY 7 N -2.95 -0.08 -0.54 9.45 0.00 -1.26 -5.03 107.32 106.91 2dbh s GLY 7 Ca 0.14 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2dbh s GLY 7 CO 0.08 1.46 1.97 1.44 0.00 0.00 0.00 173.10 178.05 2dbh n SER 8 N 4.70 5.99 -3.63 1.64 7.64 -1.26 -4.83 113.62 123.87 2dbh n SER 8 Ca -0.17 -3.62 -0.02 0.00 1.01 0.00 0.00 58.87 56.07 2dbh n SER 8 Cb 0.51 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 2dbh n SER 8 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dbh s SER 9 N -1.41 -1.02 -0.35 6.43 0.15 -1.26 -5.12 113.70 111.12 2dbh s SER 9 Ca 0.58 1.46 -0.00 0.00 0.70 0.00 0.00 55.95 58.68 2dbh s SER 9 Cb 0.47 2.15 0.13 0.00 -1.71 0.00 0.00 66.02 67.06 2dbh s SER 9 CO 0.04 -0.22 0.19 0.00 1.20 0.00 0.00 173.24 174.45 2dbh s ALA 10 N 2.85 1.12 -0.84 5.45 0.00 -1.26 -5.03 121.76 124.05 2dbh s ALA 10 Ca -0.04 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.09 2dbh s ALA 10 Cb -0.12 -1.62 0.29 0.00 0.00 0.00 0.00 23.12 21.67 2dbh s ALA 10 CO -0.18 -2.00 1.13 1.28 0.00 0.00 0.00 175.76 176.00 2dbh n LEU 11 N 4.22 5.14 0.00 0.00 4.32 -1.26 -2.50 117.00 126.92 2dbh n LEU 11 Ca 0.07 -5.37 0.00 0.00 -0.02 0.00 0.00 56.01 50.70 2dbh n LEU 11 Cb 0.38 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 2dbh n LEU 11 CO 0.14 1.93 0.00 -1.20 -1.22 0.00 0.00 177.39 177.04 2dbh n SER 12 N 0.90 0.00 -2.22 -1.43 7.64 -1.26 -4.97 113.62 112.27 2dbh n SER 12 Ca 0.29 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.89 2dbh n SER 12 Cb 0.37 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.63 2dbh n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dbh n ARG 13 N -0.55 2.39 -2.64 1.43 0.63 -1.26 -4.88 116.66 111.78 2dbh n ARG 13 Ca 0.00 -2.70 -0.06 0.00 -0.92 0.00 0.00 57.85 54.17 2dbh n ARG 13 Cb 0.00 -2.06 0.01 0.00 0.45 0.00 0.00 32.46 30.86 2dbh n ARG 13 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2dbh n ASN 14 N -0.42 -7.11 0.00 6.15 5.15 -1.26 -5.05 115.26 112.72 2dbh n ASN 14 Ca 0.51 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 2dbh n ASN 14 Cb 0.61 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.09 2dbh n ASN 14 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dbh n GLY 15 N -0.24 2.63 4.02 8.20 0.00 -1.22 -5.06 105.19 113.52 2dbh n GLY 15 Ca 0.09 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2dbh n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbh s SER 16 N 1.17 5.38 0.09 1.61 0.01 -1.04 -5.03 113.70 115.89 2dbh s SER 16 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dbh s SER 16 Cb 0.00 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2dbh s SER 16 CO 0.00 -1.05 0.00 0.49 0.41 0.00 0.00 173.24 173.09 2dbh n PHE 17 N -2.05 -0.34 -4.87 2.43 3.72 -1.26 -4.52 117.46 110.57 2dbh n PHE 17 Ca 0.12 0.06 -0.27 0.00 -0.05 0.00 0.00 57.45 57.31 2dbh n PHE 17 Cb 0.60 0.12 -0.15 0.00 -0.94 0.00 0.00 39.48 39.11 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 -2.00 1.71 0.47 4.37 1.01 -1.24 -5.01 121.20 120.51 2dbh s ILE 18 Ca 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 59.66 2dbh s ILE 18 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2dbh s ILE 18 CO 0.00 0.36 0.40 0.42 0.00 0.00 0.00 174.94 176.11 2dbh s THR 19 N -0.64 2.24 0.37 2.92 -4.23 -1.26 -4.96 115.64 110.08 2dbh s THR 19 Ca 0.08 -1.40 0.09 0.00 -1.18 0.00 0.00 61.69 59.28 2dbh s THR 19 Cb -0.09 -2.64 0.13 0.00 1.34 0.00 0.00 72.50 71.24 2dbh s THR 19 CO 0.00 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.45 2dbh h LYS 20 N 0.91 0.20 0.11 3.99 3.64 -2.01 -2.80 116.57 120.61 2dbh h LYS 20 Ca -0.39 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 2dbh h LYS 20 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2dbh h LYS 20 CO 0.57 0.42 -0.05 1.49 -2.27 0.00 0.00 179.45 179.61 2dbh h GLU 21 N 0.19 -0.14 -0.14 1.90 4.22 -1.99 -1.47 114.58 117.15 2dbh h GLU 21 Ca 0.03 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 2dbh h GLU 21 Cb 0.50 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2dbh h GLU 21 CO 0.03 -0.01 0.07 0.87 -2.18 0.00 0.00 179.01 177.79 2dbh h LYS 22 N -0.24 0.18 -0.06 1.92 1.57 -1.94 0.38 116.57 118.38 2dbh h LYS 22 Ca -0.02 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2dbh h LYS 22 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2dbh h LYS 22 CO 0.03 0.14 -0.59 0.87 -0.57 0.00 0.00 179.45 179.33 2dbh h LYS 23 N 0.19 0.21 0.03 3.15 1.57 -1.20 -3.05 116.57 117.47 2dbh h LYS 23 Ca 0.05 -0.14 -0.28 0.00 -1.87 0.00 0.00 60.65 58.41 2dbh h LYS 23 Cb 0.02 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2dbh h LYS 23 CO -0.01 0.74 -1.50 0.22 -0.57 0.00 0.00 179.45 178.33 2dbh h ASP 24 N 0.16 0.10 -0.10 0.86 3.58 -0.20 -3.33 116.42 117.50 2dbh h ASP 24 Ca -0.00 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2dbh h ASP 24 Cb 1.08 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2dbh h ASP 24 CO 0.09 1.14 0.05 0.74 -2.88 0.00 0.00 179.24 178.37 2dbh h THR 25 N 0.02 1.06 -0.30 2.25 2.02 -0.27 -0.79 112.91 116.90 2dbh h THR 25 Ca -0.21 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 2dbh h THR 25 Cb 1.95 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2dbh h THR 25 CO 0.11 0.07 -0.34 0.58 0.37 0.00 0.00 175.52 176.31 2dbh h VAL 26 N 0.18 1.29 0.02 3.16 2.07 -1.64 -3.03 116.25 118.30 2dbh h VAL 26 Ca 0.05 -1.47 -0.20 0.00 0.82 0.00 0.00 66.70 65.89 2dbh h VAL 26 Cb 0.05 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2dbh h VAL 26 CO -0.00 0.48 -0.94 -0.07 0.02 0.00 0.00 177.57 177.05 2dbh h LEU 27 N 0.55 0.17 -1.55 2.57 3.38 -1.48 -3.00 115.31 115.96 2dbh h LEU 27 Ca 0.06 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2dbh h LEU 27 Cb 0.84 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2dbh h LEU 27 CO 0.07 1.01 0.35 -0.09 0.09 0.00 0.00 178.44 179.87 2dbh h ARG 28 N 0.06 0.57 0.04 1.13 2.43 -1.06 0.36 114.38 117.91 2dbh h ARG 28 Ca -0.04 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.85 2dbh h ARG 28 Cb 1.61 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 2dbh h ARG 28 CO 0.14 0.37 -1.17 1.96 -1.51 0.00 0.00 179.97 179.76 2dbh h GLN 29 N 0.58 0.08 -0.03 0.20 4.20 -1.55 -3.31 115.11 115.28 2dbh h GLN 29 Ca 0.21 -0.14 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 2dbh h GLN 29 Cb 0.13 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2dbh h GLN 29 CO -0.06 1.01 -0.85 0.28 -0.67 0.00 0.00 178.83 178.54 2dbh h VAL 30 N 0.02 1.40 -0.32 -0.54 2.07 -1.16 -3.14 116.25 114.57 2dbh h VAL 30 Ca -0.09 -2.34 0.08 0.00 0.82 0.00 0.00 66.70 65.18 2dbh h VAL 30 Cb 1.86 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 2dbh h VAL 30 CO 0.14 0.70 0.23 0.03 0.02 0.00 0.00 177.57 178.69 2dbh h ARG 31 N 0.24 0.08 -4.04 1.57 3.08 -0.41 -2.89 114.38 112.02 2dbh h ARG 31 Ca -0.06 -0.01 -0.77 0.00 0.07 0.00 0.00 59.98 59.22 2dbh h ARG 31 Cb 1.46 -0.02 -0.24 0.00 0.08 0.00 0.00 29.97 31.25 2dbh h ARG 31 CO 0.15 0.06 -0.15 -0.51 -1.07 0.00 0.00 179.97 178.44 2dbh s LEU 32 N -9.00 6.30 -0.47 3.04 1.43 -1.19 -4.65 118.68 114.14 2dbh s LEU 32 Ca -0.06 -1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 51.00 2dbh s LEU 32 Cb 0.18 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2dbh s LEU 32 CO 0.71 -0.80 0.53 -0.67 0.23 0.00 0.00 176.35 176.34 2dbh n ASP 33 N 5.00 -6.76 -3.55 2.29 2.03 -1.25 -4.95 116.55 109.35 2dbh n ASP 33 Ca -0.08 0.19 -0.21 0.00 0.52 0.00 0.00 54.79 55.21 2dbh n ASP 33 Cb 0.41 -4.53 0.18 0.00 -0.72 0.00 0.00 41.12 36.47 2dbh n ASP 33 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2dbh n PRO 34 N -0.98 -2.83 -2.83 -0.67 -0.02 -1.09 -4.90 135.00 121.69 2dbh n PRO 34 Ca 0.05 -0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 60.63 2dbh n PRO 34 Cb 0.44 -1.58 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 2dbh n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dbh s ASP 36 N -2.32 6.63 -0.51 0.00 -1.08 -1.26 -4.89 116.67 113.24 2dbh s ASP 36 Ca 0.12 0.46 0.01 0.00 -0.52 0.00 0.00 52.55 52.63 2dbh s ASP 36 Cb -0.02 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.42 2dbh s ASP 36 CO 0.09 -1.26 1.94 0.18 0.52 0.00 0.00 175.17 176.63 2dbh n LEU 37 N 7.87 6.96 0.23 -1.34 4.77 -1.26 -4.62 117.00 129.61 2dbh n LEU 37 Ca 0.12 -3.77 -0.10 0.00 -0.03 0.00 0.00 56.01 52.23 2dbh n LEU 37 Cb 0.49 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 2dbh n LEU 37 CO 0.72 1.20 0.30 1.56 -1.33 0.00 0.00 177.39 179.84 2dbh h GLN 38 N 1.37 -0.61 -0.13 3.23 1.08 -2.00 -2.88 115.11 115.17 2dbh h GLN 38 Ca 0.59 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.82 2dbh h GLN 38 Cb 1.92 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.48 2dbh h GLN 38 CO 1.23 -0.40 0.05 -1.00 -0.95 0.00 0.00 178.83 177.76 2dbh h PRO 39 N -0.97 0.17 0.00 1.46 0.13 -1.98 0.15 132.00 130.96 2dbh h PRO 39 Ca -0.06 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2dbh h PRO 39 Cb 0.48 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 2dbh h PRO 39 CO 0.11 0.15 -0.15 0.82 -0.23 0.00 0.00 178.00 178.69 2dbh h ILE 40 N 0.18 0.53 0.01 -3.56 2.04 -1.86 -1.50 117.51 113.34 2dbh h ILE 40 Ca 0.05 -0.74 -0.41 0.00 1.00 0.00 0.00 64.86 64.75 2dbh h ILE 40 Cb 0.04 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2dbh h ILE 40 CO -0.01 0.15 -2.32 0.49 0.00 0.00 0.00 178.15 176.46 2dbh n PHE 41 N -3.51 0.23 0.03 1.37 3.72 -0.49 -4.11 117.46 114.71 2dbh n PHE 41 Ca -0.01 0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.36 2dbh n PHE 41 Cb 0.31 -1.03 -0.06 0.00 -0.94 0.00 0.00 39.48 37.77 2dbh n PHE 41 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2dbh h ASP 42 N -0.66 -0.10 -0.20 4.37 5.19 -0.78 0.88 116.42 125.11 2dbh h ASP 42 Ca -0.61 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 55.88 2dbh h ASP 42 Cb 1.68 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 2dbh h ASP 42 CO -0.27 -0.05 0.18 -0.78 -3.12 0.00 0.00 179.24 175.20 2dbh h ASP 43 N -0.04 0.00 0.48 6.45 3.58 -1.50 -0.97 116.42 124.43 2dbh h ASP 43 Ca 0.03 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.33 2dbh h ASP 43 Cb 0.08 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2dbh h ASP 43 CO -0.06 0.00 -1.65 0.23 -2.88 0.00 0.00 179.24 174.88 2dbh n MET 44 N -4.12 0.64 -0.00 0.28 2.81 -0.68 -4.14 117.12 111.90 2dbh n MET 44 Ca 0.02 0.09 0.16 0.00 -1.81 0.00 0.00 57.70 56.16 2dbh n MET 44 Cb 0.31 -1.71 0.62 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.13 -0.41 4.03 3.38 0.22 0.14 115.31 122.80 2dbh h LEU 45 Ca -0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2dbh h LEU 45 Cb 1.52 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2dbh h LEU 45 CO 0.03 0.08 -0.52 0.45 0.09 0.00 0.00 178.44 178.56 2dbh h HIS 46 N 0.15 0.00 0.02 1.13 3.86 -1.70 -3.19 115.15 115.42 2dbh h HIS 46 Ca 0.24 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.24 2dbh h HIS 46 Cb 0.74 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 2dbh h HIS 46 CO -0.00 0.52 -0.95 0.74 0.86 0.00 0.00 177.93 179.11 2dbh h PHE 47 N 0.00 0.20 -4.08 2.45 -1.00 -0.95 -3.45 116.94 110.10 2dbh h PHE 47 Ca -0.01 -0.12 -0.45 0.00 2.81 0.00 0.00 57.97 60.20 2dbh h PHE 47 Cb 1.23 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 2dbh h PHE 47 CO 0.00 0.99 0.36 -0.51 -1.61 0.00 0.00 178.31 177.54 2dbh s LEU 48 N -7.16 3.86 0.47 1.54 1.43 -0.71 -5.07 118.68 113.04 2dbh s LEU 48 Ca -0.02 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 2dbh s LEU 48 Cb 0.10 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.79 2dbh s LEU 48 CO 0.83 -0.51 0.67 0.20 0.23 0.00 0.00 176.35 177.77 2dbh s ASN 49 N -2.27 5.62 0.24 2.29 -0.87 -1.26 -4.86 114.94 113.82 2dbh s ASN 49 Ca 0.63 0.04 -0.05 0.00 -1.57 0.00 0.00 52.86 51.91 2dbh s ASN 49 Cb -0.11 -1.15 0.42 0.00 -0.02 0.00 0.00 41.25 40.39 2dbh s ASN 49 CO 0.18 -0.84 1.75 -0.65 -2.57 0.00 0.00 177.10 174.96 2dbh h PRO 50 N 0.36 0.48 -0.08 -0.60 0.11 -1.97 0.40 132.00 130.71 2dbh h PRO 50 Ca -0.44 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2dbh h PRO 50 Cb 1.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2dbh h PRO 50 CO 0.53 0.32 -0.47 1.49 -0.21 0.00 0.00 178.00 179.67 2dbh h GLU 51 N 0.50 0.20 0.02 1.05 4.81 -2.01 -2.85 114.58 116.29 2dbh h GLU 51 Ca 0.40 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 59.31 2dbh h GLU 51 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2dbh h GLU 51 CO -0.36 0.63 -0.93 0.93 -0.73 0.00 0.00 179.01 178.54 2dbh h GLU 52 N 0.16 0.24 0.00 1.92 5.08 -1.48 -3.19 114.58 117.31 2dbh h GLU 52 Ca 0.01 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 2dbh h GLU 52 Cb 0.89 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2dbh h GLU 52 CO 0.07 1.01 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.68 2dbh h LEU 53 N 0.12 0.00 -1.08 1.33 3.38 -0.14 -2.73 115.31 116.18 2dbh h LEU 53 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2dbh h LEU 53 Cb 1.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2dbh h LEU 53 CO 0.15 0.34 0.04 -0.09 0.09 0.00 0.00 178.44 178.96 2dbh h ARG 54 N 0.00 0.69 -0.10 1.13 9.65 -1.49 0.88 114.38 125.14 2dbh h ARG 54 Ca -0.00 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.63 2dbh h ARG 54 Cb 0.62 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 2dbh h ARG 54 CO 0.04 0.68 -0.34 0.28 2.80 0.00 0.00 179.97 183.43 2dbh h VAL 55 N 0.65 1.27 0.00 0.20 2.07 -1.57 -2.97 116.25 115.91 2dbh h VAL 55 Ca 0.14 -1.31 -0.32 0.00 0.82 0.00 0.00 66.70 66.03 2dbh h VAL 55 Cb 0.35 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 2dbh h VAL 55 CO 0.01 0.39 -1.91 -0.38 0.02 0.00 0.00 177.57 175.70 2dbh n ILE 56 N -4.09 1.55 0.01 4.57 5.41 -0.94 -4.14 119.36 121.73 2dbh n ILE 56 Ca -0.01 -0.81 0.06 0.00 1.00 0.00 0.00 62.75 62.99 2dbh n ILE 56 Cb 0.42 -0.90 0.46 0.00 -0.71 0.00 0.00 39.64 38.92 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 0.45 -0.71 0.38 5.08 0.85 -2.00 114.58 118.63 2dbh h GLU 57 Ca -0.36 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 2dbh h GLU 57 Cb 2.08 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 31.19 2dbh h GLU 57 CO 0.06 0.30 0.35 0.93 -1.00 0.00 0.00 179.01 179.65 2dbh h GLU 58 N 0.46 1.03 -6.33 2.33 4.39 -1.68 -3.40 114.58 111.38 2dbh h GLU 58 Ca 0.16 -0.15 -0.57 0.00 0.34 0.00 0.00 59.36 59.14 2dbh h GLU 58 Cb 0.07 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2dbh h GLU 58 CO -0.04 0.80 1.18 0.42 -1.16 0.00 0.00 179.01 180.22 2dbh s ILE 59 N -5.72 3.64 0.02 3.13 1.01 -0.75 -4.89 121.20 117.63 2dbh s ILE 59 Ca -0.13 0.67 -0.19 0.00 0.00 0.00 0.00 60.65 61.01 2dbh s ILE 59 Cb 0.14 -3.78 -0.23 0.00 0.01 0.00 0.00 42.46 38.61 2dbh s ILE 59 CO 0.81 -0.44 1.13 1.55 0.00 0.00 0.00 174.94 177.98 2dbh h PRO 60 N 11.69 0.46 -7.21 2.79 0.13 -1.84 -3.44 132.00 134.58 2dbh h PRO 60 Ca -0.32 -0.47 -0.53 0.00 -0.87 0.00 0.00 66.00 63.81 2dbh h PRO 60 Cb 1.15 0.13 0.20 0.00 0.13 0.00 0.00 31.00 32.61 2dbh h PRO 60 CO 1.03 1.12 0.17 1.04 -0.23 0.00 0.00 178.00 181.14 2dbh n GLN 61 N -4.18 -0.30 0.02 0.86 1.13 -1.26 -4.96 117.38 108.69 2dbh n GLN 61 Ca -0.10 -0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.72 2dbh n GLN 61 Cb 0.69 -2.34 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dbh h ALA 62 N -1.64 0.22 0.35 -1.58 0.00 -1.99 -3.12 119.26 111.51 2dbh h ALA 62 Ca -0.44 -1.16 -0.02 0.00 0.00 0.00 0.00 54.91 53.29 2dbh h ALA 62 Cb 1.28 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2dbh h ALA 62 CO 0.42 0.97 -0.17 0.93 0.00 0.00 0.00 179.25 181.40 2dbh h GLU 63 N -0.13 -0.46 -0.13 0.00 5.08 -1.99 -1.81 114.58 115.14 2dbh h GLU 63 Ca -0.34 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 2dbh h GLU 63 Cb 1.90 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 2dbh h GLU 63 CO 0.09 -0.30 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.33 2dbh h ASP 64 N -0.48 0.17 0.12 1.42 3.32 -1.98 -2.57 116.42 116.42 2dbh h ASP 64 Ca -0.05 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2dbh h ASP 64 Cb 0.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2dbh h ASP 64 CO 0.08 0.25 -0.06 0.11 -1.72 0.00 0.00 179.24 177.90 2dbh h LYS 65 N 0.19 -0.15 -0.21 3.56 1.57 -1.39 -2.64 116.57 117.49 2dbh h LYS 65 Ca 0.04 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2dbh h LYS 65 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2dbh h LYS 65 CO 0.01 0.01 0.12 1.25 -0.57 0.00 0.00 179.45 180.27 2dbh h LEU 66 N -0.29 0.25 -1.09 2.94 5.85 -1.08 -1.55 115.31 120.34 2dbh h LEU 66 Ca -0.02 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2dbh h LEU 66 Cb 0.24 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2dbh h LEU 66 CO 0.03 0.20 0.25 -0.78 -0.34 0.00 0.00 178.44 177.80 2dbh h ASP 67 N 0.29 0.82 0.92 1.25 3.58 -1.13 -2.47 116.42 119.69 2dbh h ASP 67 Ca 0.08 -0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.23 2dbh h ASP 67 Cb 0.01 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 2dbh h ASP 67 CO -0.01 0.73 -0.94 -0.09 -2.88 0.00 0.00 179.24 176.05 2dbh h ARG 68 N 0.88 0.01 -0.21 0.28 2.43 -1.00 -3.13 114.38 113.64 2dbh h ARG 68 Ca 0.21 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2dbh h ARG 68 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2dbh h ARG 68 CO -0.02 0.94 0.14 1.25 -1.51 0.00 0.00 179.97 180.77 2dbh h LEU 69 N 0.00 0.12 0.00 3.80 5.85 -0.87 -1.24 115.31 122.98 2dbh h LEU 69 Ca -0.01 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 2dbh h LEU 69 Cb 1.65 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 2dbh h LEU 69 CO 0.12 0.09 -1.21 -0.26 -0.34 0.00 0.00 178.44 176.84 2dbh h PHE 70 N 0.14 0.00 -0.42 1.25 -1.00 -1.54 -2.93 116.94 112.44 2dbh h PHE 70 Ca 0.09 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 2dbh h PHE 70 Cb 0.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 2dbh h PHE 70 CO -0.00 0.83 0.18 1.49 -1.61 0.00 0.00 178.31 179.20 2dbh h GLU 71 N 0.00 0.63 0.13 1.51 4.81 -1.19 0.59 114.58 121.06 2dbh h GLU 71 Ca -0.12 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2dbh h GLU 71 Cb 1.74 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.01 2dbh h GLU 71 CO 0.09 0.57 -0.06 0.82 -0.73 0.00 0.00 179.01 179.69 2dbh h ILE 72 N 0.54 0.48 0.00 2.32 2.04 -1.58 -3.31 117.51 118.01 2dbh h ILE 72 Ca 0.14 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2dbh h ILE 72 Cb 0.17 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2dbh h ILE 72 CO -0.01 0.15 -0.03 0.40 0.00 0.00 0.00 178.15 178.65 2dbh h ILE 73 N -0.99 0.80 -0.13 -0.67 2.04 -1.59 -1.81 117.51 115.15 2dbh h ILE 73 Ca -0.02 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2dbh h ILE 73 Cb 0.37 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2dbh h ILE 73 CO 0.03 0.03 0.14 1.23 0.00 0.00 0.00 178.15 179.58 2dbh h GLY 74 N 0.13 0.00 -1.92 5.37 0.00 0.13 -1.74 103.07 105.03 2dbh h GLY 74 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2dbh h GLY 74 CO 0.00 0.00 -0.62 3.33 0.00 0.00 0.00 176.54 179.25 2dbh n VAL 75 N -3.86 2.19 -0.02 4.60 0.24 -0.69 -3.67 118.33 117.12 2dbh n VAL 75 Ca 0.00 -3.42 -0.02 0.00 -2.04 0.00 0.00 64.34 58.86 2dbh n VAL 75 Cb 0.25 -0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.93 0.13 -3.60 7.34 4.81 -0.65 -5.08 118.16 120.17 2dbh n LYS 76 Ca 0.25 0.05 0.01 0.00 -0.87 0.00 0.00 58.31 57.75 2dbh n LYS 76 Cb 0.79 -0.69 -0.01 0.00 0.02 0.00 0.00 35.03 35.14 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 -4.56 -0.05 0.42 3.14 0.01 -1.26 -5.01 113.70 106.40 2dbh s SER 77 Ca -0.07 -0.06 0.21 0.00 1.31 0.00 0.00 55.95 57.34 2dbh s SER 77 Cb 0.01 0.09 0.91 0.00 0.21 0.00 0.00 66.02 67.24 2dbh s SER 77 CO 0.10 -0.17 1.85 -0.61 0.41 0.00 0.00 173.24 174.82 2dbh h GLN 78 N 2.00 0.00 -0.06 12.44 4.15 -1.97 0.12 115.11 131.78 2dbh h GLN 78 Ca -0.25 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.11 2dbh h GLN 78 Cb 1.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2dbh h GLN 78 CO 0.27 0.29 -0.25 1.49 -1.93 0.00 0.00 178.83 178.69 2dbh h GLU 79 N 0.00 0.10 0.01 1.69 4.81 -1.99 -1.89 114.58 117.32 2dbh h GLU 79 Ca -0.00 -0.03 -0.38 0.00 -0.13 0.00 0.00 59.36 58.82 2dbh h GLU 79 Cb 0.69 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.00 2dbh h GLU 79 CO 0.04 0.36 -2.38 0.00 -0.73 0.00 0.00 179.01 176.30 2dbh n ALA 80 N -2.48 1.42 0.19 2.92 0.00 -1.05 -3.96 120.51 117.54 2dbh n ALA 80 Ca -0.02 -1.13 -0.15 0.00 0.00 0.00 0.00 53.44 52.14 2dbh n ALA 80 Cb 0.33 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 0.01 -0.36 -0.77 0.00 0.87 -0.77 0.35 113.55 112.88 2dbh h SER 81 Ca -0.54 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.03 2dbh h SER 81 Cb 2.04 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 64.05 2dbh h SER 81 CO -0.03 -0.24 0.51 -0.61 -0.53 0.00 0.00 176.83 175.94 2dbh h GLN 82 N -0.44 1.01 -0.02 2.24 -0.00 -1.57 -1.77 115.11 114.56 2dbh h GLN 82 Ca -0.04 -0.06 -0.15 0.00 -0.00 0.00 0.00 58.65 58.40 2dbh h GLN 82 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 2dbh h GLN 82 CO 0.07 0.67 -0.67 1.15 0.00 0.00 0.00 178.83 180.05 2dbh h THR 83 N 1.04 1.45 -0.03 2.39 2.02 -1.62 -0.58 112.91 117.58 2dbh h THR 83 Ca 0.29 -2.22 -0.07 0.00 0.77 0.00 0.00 66.41 65.17 2dbh h THR 83 Cb -0.11 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2dbh h THR 83 CO -0.06 0.64 -0.32 0.25 0.37 0.00 0.00 175.52 176.39 2dbh h LEU 84 N 0.07 0.05 0.12 2.58 5.85 0.57 0.11 115.31 124.66 2dbh h LEU 84 Ca -0.01 -0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.33 2dbh h LEU 84 Cb 1.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2dbh h LEU 84 CO 0.10 0.38 -1.95 0.18 -0.34 0.00 0.00 178.44 176.80 2dbh n LEU 85 N -4.14 2.60 -0.00 2.25 4.77 -0.95 -3.97 117.00 117.55 2dbh n LEU 85 Ca -0.02 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 2dbh n LEU 85 Cb 0.38 -1.12 0.15 0.00 -2.33 0.00 0.00 43.42 40.50 2dbh n LEU 85 CO 0.39 0.82 0.67 -0.78 -1.33 0.00 0.00 177.39 177.16 2dbh h ASP 86 N 0.01 0.56 -0.03 -1.43 3.58 -1.07 -2.79 116.42 115.25 2dbh h ASP 86 Ca -0.42 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 56.80 2dbh h ASP 86 Cb 2.00 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.89 2dbh h ASP 86 CO 0.08 0.84 -0.01 -1.28 -2.88 0.00 0.00 179.24 175.99 2dbh h SER 87 N 0.46 0.11 0.15 2.28 0.87 -0.94 0.85 113.55 117.33 2dbh h SER 87 Ca 0.06 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2dbh h SER 87 Cb 0.78 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2dbh h SER 87 CO 0.06 0.15 -0.07 0.58 -0.53 0.00 0.00 176.83 177.02 2dbh h VAL 88 N 0.13 0.99 0.03 2.23 2.07 -1.62 -2.24 116.25 117.84 2dbh h VAL 88 Ca 0.03 -0.75 -0.24 0.00 0.82 0.00 0.00 66.70 66.56 2dbh h VAL 88 Cb 0.11 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2dbh h VAL 88 CO 0.00 0.17 -1.01 1.88 0.02 0.00 0.00 177.57 178.63 2dbh h TYR 89 N -0.57 0.62 -0.11 1.57 0.05 -1.49 0.10 116.97 117.14 2dbh h TYR 89 Ca -0.02 -0.36 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 2dbh h TYR 89 Cb 0.44 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 2dbh h TYR 89 CO 0.04 1.20 0.04 1.03 -1.05 0.00 0.00 178.16 179.42 2dbh h SER 90 N 0.21 0.14 0.04 3.88 0.87 0.66 -3.09 113.55 116.25 2dbh h SER 90 Ca -0.10 -0.01 -0.38 0.00 -1.23 0.00 0.00 61.79 60.08 2dbh h SER 90 Cb 1.67 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.54 2dbh h SER 90 CO 0.18 0.13 -2.19 1.41 -0.53 0.00 0.00 176.83 175.83 2dbh n HIS 91 N -4.48 0.51 -3.42 2.24 8.25 -0.84 -4.76 115.22 112.72 2dbh n HIS 91 Ca -0.01 0.14 -0.44 0.00 -0.26 0.00 0.00 57.72 57.14 2dbh n HIS 91 Cb 0.11 -1.06 -0.05 0.00 1.12 0.00 0.00 29.99 30.11 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 -7.03 6.28 0.42 2.41 1.43 0.36 -4.90 118.68 117.64 2dbh s LEU 92 Ca -0.31 -2.46 0.19 0.00 -1.03 0.00 0.00 54.13 50.52 2dbh s LEU 92 Cb 0.09 -2.13 0.93 0.00 0.03 0.00 0.00 46.19 45.11 2dbh s LEU 92 CO 0.63 -0.61 1.87 1.55 0.23 0.00 0.00 176.35 180.02 2dbh h PRO 93 N 7.94 0.00 -0.14 1.29 0.13 -1.82 -2.85 132.00 136.55 2dbh h PRO 93 Ca -0.03 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2dbh h PRO 93 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2dbh h PRO 93 CO 0.81 0.29 0.10 -0.44 -0.23 0.00 0.00 178.00 178.53 2dbh h ASP 94 N 0.00 0.01 0.52 1.44 5.19 -1.90 -0.97 116.42 120.71 2dbh h ASP 94 Ca -0.00 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 2dbh h ASP 94 Cb 0.64 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2dbh h ASP 94 CO 0.04 0.01 -0.79 -0.07 -3.12 0.00 0.00 179.24 175.30 2dbh h LEU 95 N 0.01 0.26 -7.26 1.55 3.38 -1.86 -3.42 115.31 107.97 2dbh h LEU 95 Ca 0.07 -0.19 -0.47 0.00 0.09 0.00 0.00 57.88 57.38 2dbh h LEU 95 Cb 0.25 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 40.52 2dbh h LEU 95 CO -0.00 0.95 -0.76 -0.76 0.09 0.00 0.00 178.44 177.96 2dbh s LEU 96 N -7.58 0.70 0.00 1.67 1.43 -0.37 -5.10 118.68 109.43 2dbh s LEU 96 Ca -0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2dbh s LEU 96 Cb 0.11 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.92 2dbh s LEU 96 CO 0.82 -0.29 0.00 -0.24 0.23 0.00 0.00 176.35 176.87 2dbh n SER 97 N 5.16 1.47 0.00 2.29 2.88 -1.22 -4.66 113.62 119.54 2dbh n SER 97 Ca -0.07 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 2dbh n SER 97 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 5.00 -0.54 3.56 0.46 0.00 -1.26 -5.10 105.19 107.31 2dbh n GLY 98 Ca 0.00 0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 2.64 0.00 1.61 0.04 -1.26 -4.22 135.00 133.80 2dbh s PRO 99 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2dbh s PRO 99 Cb 0.00 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2dbh s PRO 99 CO 0.00 -2.69 0.00 0.43 0.04 0.00 0.00 177.00 174.78 2dbh n SER 100 N 13.07 0.00 0.17 6.66 7.64 -1.26 -5.00 113.62 134.91 2dbh n SER 100 Ca 0.25 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 2dbh n SER 100 Cb 0.52 0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.85 2dbh n SER 100 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dbh h SER 101 N 0.00 -0.43 0.00 6.43 0.87 -2.06 -3.57 113.55 114.78 2dbh h SER 101 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2dbh h SER 101 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2dbh h SER 101 CO 0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92