#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 2.25 0.18 1.61 0.01 -1.26 -5.12 113.70 111.37 2dbh s SER 2 Ca 0.00 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 2dbh s SER 2 Cb 0.00 -0.25 -0.08 0.00 0.21 0.00 0.00 66.02 65.91 2dbh s SER 2 CO 0.00 0.23 1.06 -0.44 0.41 0.00 0.00 173.24 174.50 2dbh s SER 3 N -0.48 7.34 0.00 2.44 0.01 -1.26 -4.90 113.70 116.85 2dbh s SER 3 Ca 0.07 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2dbh s SER 3 Cb -0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dbh s SER 3 CO -0.01 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2dbh n GLY 4 N 1.95 1.23 3.22 3.44 0.00 -1.26 -5.19 105.19 108.58 2dbh n GLY 4 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.17 0.18 1.61 1.04 -1.26 -5.08 113.70 110.36 2dbh s SER 5 Ca 0.00 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2dbh s SER 5 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dbh s SER 5 CO 0.00 -0.84 0.00 -1.20 0.98 0.00 0.00 173.24 172.18 2dbh n SER 6 N -0.23 -0.96 -4.55 7.02 7.64 -1.26 -5.04 113.62 116.24 2dbh n SER 6 Ca -0.00 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 59.93 2dbh n SER 6 Cb 0.65 1.06 -0.04 0.00 -1.01 0.00 0.00 64.21 64.87 2dbh n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbh s GLY 7 N -3.75 -0.50 -0.42 0.23 0.00 -1.26 -4.77 107.32 96.86 2dbh s GLY 7 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.41 2dbh s GLY 7 CO 0.00 4.10 1.86 1.44 0.00 0.00 0.00 173.10 180.50 2dbh n SER 8 N 16.55 3.76 -2.69 1.64 7.64 -1.26 -4.97 113.62 134.28 2dbh n SER 8 Ca 0.39 -3.49 -0.03 0.00 1.01 0.00 0.00 58.87 56.75 2dbh n SER 8 Cb 0.51 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 2dbh n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbh n SER 9 N -1.00 -4.34 0.14 6.43 2.88 -1.26 -4.89 113.62 111.58 2dbh n SER 9 Ca 0.55 1.35 -0.00 0.00 -1.33 0.00 0.00 58.87 59.45 2dbh n SER 9 Cb 1.59 -5.08 0.27 0.00 -0.75 0.00 0.00 64.21 60.24 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 3.65 1.20 -3.90 -1.46 0.00 -1.98 -3.46 119.26 113.32 2dbh h ALA 10 Ca -0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 2dbh h ALA 10 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dbh h ALA 10 CO 0.05 0.56 -0.04 1.28 0.00 0.00 0.00 179.25 181.10 2dbh n LEU 11 N -4.02 0.00 -4.67 0.00 4.77 -1.26 -5.08 117.00 106.73 2dbh n LEU 11 Ca -0.02 -0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 2dbh n LEU 11 Cb 0.47 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2dbh n LEU 11 CO 0.41 -0.04 1.54 -0.24 -1.33 0.00 0.00 177.39 177.72 2dbh n SER 12 N -1.42 4.03 -0.13 -1.43 2.88 -1.26 -4.88 113.62 111.41 2dbh n SER 12 Ca -0.01 0.95 -0.11 0.00 -1.33 0.00 0.00 58.87 58.37 2dbh n SER 12 Cb 0.06 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.03 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 9.58 0.92 -0.19 -1.46 3.08 -1.95 -3.19 114.38 121.17 2dbh h ARG 13 Ca -0.48 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.13 2dbh h ARG 13 Cb 1.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2dbh h ARG 13 CO 0.94 1.06 0.01 -0.97 -1.07 0.00 0.00 179.97 179.94 2dbh h ASN 14 N 0.78 0.33 -0.49 7.04 -0.73 -2.05 -3.46 115.58 117.01 2dbh h ASN 14 Ca 0.10 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 57.97 2dbh h ASN 14 Cb 0.82 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.32 2dbh h ASN 14 CO 0.07 0.55 0.00 0.61 -0.37 0.00 0.00 177.43 178.29 2dbh n GLY 15 N -0.33 4.54 1.47 1.57 0.00 -1.20 -5.08 105.19 106.15 2dbh n GLY 15 Ca -0.04 -1.91 0.19 0.00 0.00 0.00 0.00 46.02 44.25 2dbh n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 16 N 0.00 -8.82 0.16 1.61 2.88 -1.26 -4.60 113.62 103.60 2dbh n SER 16 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2dbh n SER 16 Cb 0.00 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 58.74 2dbh n SER 16 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2dbh n PHE 17 N -4.34 -3.85 -4.08 0.66 3.72 -1.25 -5.01 117.46 103.31 2dbh n PHE 17 Ca -0.04 1.08 -0.35 0.00 -0.05 0.00 0.00 57.45 58.10 2dbh n PHE 17 Cb 0.68 2.77 -0.10 0.00 -0.94 0.00 0.00 39.48 41.90 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 4.68 0.81 4.37 1.01 -1.26 -5.06 121.20 123.74 2dbh s ILE 18 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2dbh s ILE 18 Cb 0.00 -3.08 0.09 0.00 0.01 0.00 0.00 42.46 39.48 2dbh s ILE 18 CO 0.00 0.49 1.16 0.42 0.00 0.00 0.00 174.94 177.01 2dbh s THR 19 N 0.15 2.05 0.16 2.92 -4.23 -1.26 -4.99 115.64 110.44 2dbh s THR 19 Ca 0.04 -0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2dbh s THR 19 Cb -0.12 -2.99 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 2dbh s THR 19 CO 0.01 0.00 1.37 0.50 -0.54 0.00 0.00 174.62 175.95 2dbh h LYS 20 N -1.03 0.07 -0.08 3.99 3.11 -2.01 -3.20 116.57 117.42 2dbh h LYS 20 Ca -0.45 -0.09 -0.09 0.00 -2.81 0.00 0.00 60.65 57.21 2dbh h LYS 20 Cb 1.32 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.56 2dbh h LYS 20 CO 0.61 0.92 -0.36 0.93 -2.81 0.00 0.00 179.45 178.74 2dbh h GLU 21 N 0.03 0.15 0.47 1.90 5.08 -2.00 -2.61 114.58 117.61 2dbh h GLU 21 Ca -0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2dbh h GLU 21 Cb 1.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2dbh h GLU 21 CO 0.13 0.50 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.19 2dbh h LYS 22 N 0.13 -0.61 -0.05 2.33 3.64 -1.95 -2.82 116.57 117.24 2dbh h LYS 22 Ca 0.01 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2dbh h LYS 22 Cb 0.71 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2dbh h LYS 22 CO 0.05 -0.34 0.03 0.87 -2.27 0.00 0.00 179.45 177.80 2dbh h LYS 23 N -0.80 0.02 0.43 1.90 1.57 -1.61 -2.75 116.57 115.33 2dbh h LYS 23 Ca -0.07 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2dbh h LYS 23 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2dbh h LYS 23 CO 0.11 0.01 -0.28 0.22 -0.57 0.00 0.00 179.45 178.94 2dbh h ASP 24 N 0.02 -0.70 -0.28 0.86 1.82 -1.23 -1.37 116.42 115.54 2dbh h ASP 24 Ca 0.02 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.79 2dbh h ASP 24 Cb 0.06 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2dbh h ASP 24 CO -0.00 -0.43 0.27 0.74 -1.61 0.00 0.00 179.24 178.21 2dbh h THR 25 N -0.68 0.52 -0.02 2.25 2.02 -1.27 0.65 112.91 116.38 2dbh h THR 25 Ca -0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 2dbh h THR 25 Cb 0.56 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2dbh h THR 25 CO 0.04 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.31 2dbh h VAL 26 N 0.00 1.51 0.02 3.16 2.07 -1.29 -3.05 116.25 118.67 2dbh h VAL 26 Ca 0.13 -1.78 -0.23 0.00 0.82 0.00 0.00 66.70 65.64 2dbh h VAL 26 Cb 0.68 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2dbh h VAL 26 CO -0.00 0.49 -0.98 -0.07 0.02 0.00 0.00 177.57 177.03 2dbh h LEU 27 N -0.46 0.54 -1.19 2.57 3.38 -0.35 -3.23 115.31 116.57 2dbh h LEU 27 Ca -0.02 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.57 2dbh h LEU 27 Cb 0.90 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2dbh h LEU 27 CO 0.04 1.25 0.57 -0.09 0.09 0.00 0.00 178.44 180.30 2dbh h ARG 28 N 0.22 0.95 -0.02 1.13 2.43 0.17 0.46 114.38 119.72 2dbh h ARG 28 Ca -0.09 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 2dbh h ARG 28 Cb 1.63 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 2dbh h ARG 28 CO 0.17 0.63 -0.43 1.96 -1.51 0.00 0.00 179.97 180.79 2dbh h GLN 29 N 0.98 0.05 0.21 0.20 4.20 -1.56 -2.83 115.11 116.36 2dbh h GLN 29 Ca 0.38 -0.02 -0.34 0.00 0.06 0.00 0.00 58.65 58.72 2dbh h GLN 29 Cb 0.22 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.02 2dbh h GLN 29 CO -0.14 0.47 -1.61 0.28 -0.67 0.00 0.00 178.83 177.17 2dbh h VAL 30 N 0.04 1.12 -0.19 -0.54 2.07 -1.14 -3.27 116.25 114.34 2dbh h VAL 30 Ca 0.00 -2.63 0.04 0.00 0.82 0.00 0.00 66.70 64.92 2dbh h VAL 30 Cb 0.78 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 2dbh h VAL 30 CO 0.06 0.84 0.13 0.03 0.02 0.00 0.00 177.57 178.65 2dbh h ARG 31 N 0.12 0.09 -0.13 1.57 3.08 -0.09 -0.60 114.38 118.41 2dbh h ARG 31 Ca -0.29 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 2dbh h ARG 31 Cb 2.12 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.15 2dbh h ARG 31 CO 0.22 0.06 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.89 2dbh h LEU 32 N 0.09 0.42 -5.86 3.04 3.38 -1.59 -3.43 115.31 111.35 2dbh h LEU 32 Ca 0.09 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2dbh h LEU 32 Cb 0.23 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 40.68 2dbh h LEU 32 CO -0.01 0.88 -0.39 -0.62 0.09 0.00 0.00 178.44 178.39 2dbh s ASP 33 N -6.25 -1.33 0.80 -0.43 -1.08 -0.83 -5.14 116.67 102.40 2dbh s ASP 33 Ca -0.14 -0.66 -0.15 0.00 -0.52 0.00 0.00 52.55 51.08 2dbh s ASP 33 Cb 0.05 1.70 -0.02 0.00 -1.46 0.00 0.00 42.92 43.19 2dbh s ASP 33 CO 0.77 -0.15 0.46 -2.65 0.52 0.00 0.00 175.17 174.12 2dbh n PRO 34 N 4.31 0.11 0.04 4.34 -0.02 -0.29 -4.75 135.00 138.74 2dbh n PRO 34 Ca 0.10 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2dbh n PRO 34 Cb 0.58 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 -4.27 -0.23 0.00 0.00 -1.08 -1.26 -5.06 116.67 104.77 2dbh s ASP 36 Ca 0.00 0.27 0.15 0.00 -0.52 0.00 0.00 52.55 52.45 2dbh s ASP 36 Cb 0.00 0.22 0.25 0.00 -1.46 0.00 0.00 42.92 41.92 2dbh s ASP 36 CO 0.00 -0.20 1.09 0.18 0.52 0.00 0.00 175.17 176.76 2dbh n LEU 37 N 0.75 0.22 -0.11 -1.34 4.77 -1.26 -4.93 117.00 115.10 2dbh n LEU 37 Ca -0.06 -1.93 -0.21 0.00 -0.03 0.00 0.00 56.01 53.78 2dbh n LEU 37 Cb 0.58 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 2dbh n LEU 37 CO 0.11 0.86 -0.72 1.67 -1.33 0.00 0.00 177.39 177.98 2dbh n GLN 38 N 0.29 0.55 0.17 3.23 -0.06 -1.26 -3.96 117.38 116.34 2dbh n GLN 38 Ca -0.07 0.48 0.19 0.00 -2.00 0.00 0.00 57.00 55.60 2dbh n GLN 38 Cb 0.95 -1.67 0.79 0.00 -4.06 0.00 0.00 30.24 26.26 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 0.25 132.00 133.07 2dbh h PRO 39 Ca -0.36 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2dbh h PRO 39 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2dbh h PRO 39 CO -0.22 0.00 -0.77 0.82 -0.21 0.00 0.00 178.00 177.62 2dbh h ILE 40 N 0.00 1.19 0.00 4.15 2.04 -1.88 -3.11 117.51 119.89 2dbh h ILE 40 Ca 0.13 -2.70 -0.24 0.00 1.00 0.00 0.00 64.86 63.04 2dbh h ILE 40 Cb 0.81 2.58 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 2dbh h ILE 40 CO -0.00 0.68 -1.37 0.49 0.00 0.00 0.00 178.15 177.94 2dbh n PHE 41 N -3.25 0.88 0.29 1.37 3.01 0.53 -3.13 117.46 117.15 2dbh n PHE 41 Ca 0.00 0.38 0.19 0.00 1.01 0.00 0.00 57.45 59.03 2dbh n PHE 41 Cb 0.83 -1.06 0.98 0.00 -0.01 0.00 0.00 39.48 40.22 2dbh n PHE 41 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2dbh h ASP 42 N -1.00 0.00 0.46 4.37 3.32 -0.84 1.02 116.42 123.75 2dbh h ASP 42 Ca -0.37 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.41 2dbh h ASP 42 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2dbh h ASP 42 CO -0.22 0.00 -1.74 -0.67 -1.72 0.00 0.00 179.24 174.88 2dbh n ASP 43 N -3.40 0.74 0.05 6.45 2.03 -1.18 -4.17 116.55 117.07 2dbh n ASP 43 Ca -0.01 0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.76 2dbh n ASP 43 Cb 0.21 0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.96 0.46 -0.28 -0.67 2.81 -0.33 -4.20 117.12 111.95 2dbh n MET 44 Ca -0.17 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.83 2dbh n MET 44 Cb 1.02 -1.66 0.35 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.70 -1.67 4.03 3.38 0.85 0.13 115.31 122.73 2dbh h LEU 45 Ca 0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2dbh h LEU 45 Cb 0.87 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2dbh h LEU 45 CO 0.00 0.37 -0.19 -0.74 0.09 0.00 0.00 178.44 177.97 2dbh h HIS 46 N 0.74 0.00 -0.02 1.13 2.76 -1.79 -2.24 115.15 115.74 2dbh h HIS 46 Ca 0.44 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.45 2dbh h HIS 46 Cb 0.64 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 2dbh h HIS 46 CO -0.00 0.19 -0.72 0.74 -1.30 0.00 0.00 177.93 176.84 2dbh h PHE 47 N 0.00 0.15 -3.54 5.26 -1.00 -0.98 -3.45 116.94 113.37 2dbh h PHE 47 Ca -0.00 -0.07 -0.34 0.00 2.81 0.00 0.00 57.97 60.37 2dbh h PHE 47 Cb 0.37 -0.02 0.13 0.00 3.61 0.00 0.00 35.95 40.04 2dbh h PHE 47 CO 0.00 0.78 0.31 1.28 -1.61 0.00 0.00 178.31 179.08 2dbh n LEU 48 N -3.74 0.00 -4.16 1.54 4.77 -0.84 -5.12 117.00 109.45 2dbh n LEU 48 Ca -0.02 -1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 54.69 2dbh n LEU 48 Cb 0.70 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2dbh n LEU 48 CO 0.45 -1.22 -0.35 0.54 -1.33 0.00 0.00 177.39 175.47 2dbh s ASN 49 N -4.76 0.86 0.52 -1.43 4.22 -1.26 -5.00 114.94 108.08 2dbh s ASN 49 Ca 0.58 -1.07 0.31 0.00 -2.14 0.00 0.00 52.86 50.54 2dbh s ASN 49 Cb -0.02 0.16 1.45 0.00 1.28 0.00 0.00 41.25 44.13 2dbh s ASN 49 CO 0.41 -0.56 1.86 -0.65 -2.04 0.00 0.00 177.10 176.12 2dbh h PRO 50 N 2.94 0.05 -0.07 3.55 0.11 -1.98 0.49 132.00 137.08 2dbh h PRO 50 Ca -0.35 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.51 2dbh h PRO 50 Cb 1.17 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.29 2dbh h PRO 50 CO 0.64 0.03 -0.91 1.49 -0.21 0.00 0.00 178.00 179.04 2dbh h GLU 51 N 0.05 0.73 0.06 1.05 4.22 -2.01 -3.05 114.58 115.63 2dbh h GLU 51 Ca 0.47 -0.69 -0.25 0.00 0.08 0.00 0.00 59.36 58.97 2dbh h GLU 51 Cb 1.79 0.17 0.01 0.00 0.50 0.00 0.00 28.75 31.23 2dbh h GLU 51 CO -0.03 1.28 -1.08 0.93 -2.18 0.00 0.00 179.01 177.93 2dbh h GLU 52 N 0.46 0.43 -0.20 1.92 5.08 -1.18 -3.23 114.58 117.87 2dbh h GLU 52 Ca -0.09 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.74 2dbh h GLU 52 Cb 1.55 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2dbh h GLU 52 CO 0.18 1.20 0.13 -0.07 -1.00 0.00 0.00 179.01 179.45 2dbh h LEU 53 N 0.21 0.19 -1.64 1.33 3.38 -0.23 -1.04 115.31 117.50 2dbh h LEU 53 Ca -0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2dbh h LEU 53 Cb 1.74 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2dbh h LEU 53 CO 0.19 0.13 -0.11 -0.09 0.09 0.00 0.00 178.44 178.65 2dbh h ARG 54 N 0.22 0.09 0.02 1.13 2.43 -1.54 0.22 114.38 116.94 2dbh h ARG 54 Ca 0.08 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.02 2dbh h ARG 54 Cb 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2dbh h ARG 54 CO -0.02 0.21 -0.95 0.28 -1.51 0.00 0.00 179.97 177.98 2dbh h VAL 55 N 0.09 1.53 0.02 0.20 2.07 -1.32 -3.27 116.25 115.56 2dbh h VAL 55 Ca 0.02 -2.81 -0.24 0.00 0.82 0.00 0.00 66.70 64.49 2dbh h VAL 55 Cb 0.26 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2dbh h VAL 55 CO 0.02 0.81 -1.21 0.40 0.02 0.00 0.00 177.57 177.62 2dbh h ILE 56 N 0.08 1.48 -0.08 4.57 2.04 -1.21 -3.29 117.51 121.11 2dbh h ILE 56 Ca -0.05 -3.20 0.01 0.00 1.00 0.00 0.00 64.86 62.62 2dbh h ILE 56 Cb 1.61 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 40.46 2dbh h ILE 56 CO 0.14 0.86 0.05 -0.08 0.00 0.00 0.00 178.15 179.13 2dbh h GLU 57 N 0.01 0.04 -0.14 2.37 4.81 -0.65 -1.20 114.58 119.82 2dbh h GLU 57 Ca -0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2dbh h GLU 57 Cb 1.86 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.22 2dbh h GLU 57 CO 0.13 0.03 0.09 0.93 -0.73 0.00 0.00 179.01 179.46 2dbh h GLU 58 N 0.04 0.18 -6.34 1.92 5.08 -1.62 -3.39 114.58 110.45 2dbh h GLU 58 Ca 0.03 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.80 2dbh h GLU 58 Cb 0.08 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 2dbh h GLU 58 CO -0.00 0.12 0.71 0.42 -1.00 0.00 0.00 179.01 179.26 2dbh s ILE 59 N -5.21 4.40 0.02 3.13 1.01 -0.46 -4.92 121.20 119.17 2dbh s ILE 59 Ca -0.06 1.00 -0.19 0.00 0.00 0.00 0.00 60.65 61.40 2dbh s ILE 59 Cb 0.17 -4.48 -0.23 0.00 0.01 0.00 0.00 42.46 37.93 2dbh s ILE 59 CO 0.69 -0.84 1.12 1.55 0.00 0.00 0.00 174.94 177.46 2dbh h PRO 60 N 9.02 0.46 -7.15 2.79 0.13 -1.84 -3.46 132.00 131.95 2dbh h PRO 60 Ca -0.23 -0.48 -0.46 0.00 -0.87 0.00 0.00 66.00 63.95 2dbh h PRO 60 Cb 1.07 0.13 0.21 0.00 0.13 0.00 0.00 31.00 32.55 2dbh h PRO 60 CO 1.06 1.13 0.02 1.04 -0.23 0.00 0.00 178.00 181.02 2dbh n GLN 61 N -4.17 -1.87 -0.11 0.86 3.00 -1.26 -4.99 117.38 108.84 2dbh n GLN 61 Ca -0.10 -0.50 -0.24 0.00 -0.01 0.00 0.00 57.00 56.14 2dbh n GLN 61 Cb 0.69 -2.21 -0.11 0.00 0.00 0.00 0.00 30.24 28.61 2dbh n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dbh n ALA 62 N -4.76 1.11 -0.28 -1.58 0.00 -1.26 -3.63 120.51 110.11 2dbh n ALA 62 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2dbh n ALA 62 Cb 0.54 -0.18 0.21 0.00 0.00 0.00 0.00 19.45 20.01 2dbh n ALA 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dbh h GLU 63 N -0.65 1.09 -0.03 0.00 3.07 -2.00 -1.69 114.58 114.37 2dbh h GLU 63 Ca -0.56 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.09 2dbh h GLU 63 Cb 1.66 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 29.31 2dbh h GLU 63 CO -0.24 0.72 -0.64 -0.44 -1.40 0.00 0.00 179.01 177.01 2dbh h ASP 64 N 1.12 0.13 -0.83 1.42 5.19 -1.98 -3.14 116.42 118.34 2dbh h ASP 64 Ca 0.32 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2dbh h ASP 64 Cb -0.08 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 2dbh h ASP 64 CO -0.08 0.74 0.36 0.11 -3.12 0.00 0.00 179.24 177.25 2dbh h LYS 65 N 0.08 1.22 -0.75 3.56 1.57 -1.38 -2.48 116.57 118.39 2dbh h LYS 65 Ca -0.01 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2dbh h LYS 65 Cb 1.15 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2dbh h LYS 65 CO 0.09 0.96 0.50 1.25 -0.57 0.00 0.00 179.45 181.68 2dbh h LEU 66 N 1.20 0.83 -1.35 2.94 5.85 -1.41 -0.90 115.31 122.47 2dbh h LEU 66 Ca 0.28 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2dbh h LEU 66 Cb 0.17 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2dbh h LEU 66 CO -0.03 0.59 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.80 2dbh h ASP 67 N 0.97 0.32 0.61 1.25 3.58 -1.50 -2.54 116.42 119.11 2dbh h ASP 67 Ca 0.29 -0.06 -0.24 0.00 0.42 0.00 0.00 57.03 57.44 2dbh h ASP 67 Cb -0.04 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2dbh h ASP 67 CO -0.07 0.44 -1.06 -0.09 -2.88 0.00 0.00 179.24 175.58 2dbh h ARG 68 N 0.32 0.24 -0.99 0.28 9.65 -1.12 -2.46 114.38 120.31 2dbh h ARG 68 Ca 0.07 -0.34 0.02 0.00 -1.10 0.00 0.00 59.98 58.63 2dbh h ARG 68 Cb 0.35 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.99 2dbh h ARG 68 CO 0.02 1.10 0.66 1.25 2.80 0.00 0.00 179.97 185.79 2dbh h LEU 69 N 0.10 1.12 0.00 3.80 5.85 -0.80 -1.35 115.31 124.03 2dbh h LEU 69 Ca -0.08 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 2dbh h LEU 69 Cb 1.75 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2dbh h LEU 69 CO 0.17 0.79 -0.81 -0.26 -0.34 0.00 0.00 178.44 177.99 2dbh h PHE 70 N 1.31 0.00 -0.40 1.25 -1.00 -1.55 -2.57 116.94 113.98 2dbh h PHE 70 Ca 0.38 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.09 2dbh h PHE 70 Cb -0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 2dbh h PHE 70 CO -0.00 0.64 -0.03 1.49 -1.61 0.00 0.00 178.31 178.80 2dbh h GLU 71 N 0.00 0.73 0.02 1.51 4.22 -0.88 0.81 114.58 120.98 2dbh h GLU 71 Ca -0.04 -0.25 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 2dbh h GLU 71 Cb 1.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2dbh h GLU 71 CO 0.08 0.83 -0.01 0.82 -2.18 0.00 0.00 179.01 178.55 2dbh h ILE 72 N 0.56 1.35 0.00 2.32 2.04 -1.37 -3.30 117.51 119.11 2dbh h ILE 72 Ca 0.11 -1.91 -0.08 0.00 1.00 0.00 0.00 64.86 63.99 2dbh h ILE 72 Cb 0.52 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2dbh h ILE 72 CO 0.03 0.44 -0.36 0.40 0.00 0.00 0.00 178.15 178.66 2dbh h ILE 73 N -0.95 1.13 -0.96 -0.67 2.04 -1.54 -2.97 117.51 113.58 2dbh h ILE 73 Ca -0.00 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.62 2dbh h ILE 73 Cb 0.74 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 2dbh h ILE 73 CO 0.00 0.35 0.63 1.23 0.00 0.00 0.00 178.15 180.36 2dbh h GLY 74 N 1.28 1.40 -3.70 5.37 0.00 0.54 -1.78 103.07 106.17 2dbh h GLY 74 Ca -0.00 -0.47 -0.48 0.00 0.00 0.00 0.00 47.33 46.38 2dbh h GLY 74 CO 0.05 0.38 0.55 -0.62 0.00 0.00 0.00 176.54 176.90 2dbh n VAL 75 N -4.46 3.13 0.00 4.60 0.31 -1.13 -3.78 118.33 117.01 2dbh n VAL 75 Ca 0.13 -2.14 0.00 0.00 -0.01 0.00 0.00 64.34 62.33 2dbh n VAL 75 Cb 0.13 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2dbh n VAL 75 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2dbh n LYS 76 N -1.13 0.00 -3.68 5.55 4.81 -0.67 -5.04 118.16 118.00 2dbh n LYS 76 Ca 0.56 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2dbh n LYS 76 Cb 1.51 -0.44 -0.01 0.00 0.02 0.00 0.00 35.03 36.11 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 -3.90 -0.10 0.34 3.14 0.15 -1.25 -5.03 113.70 107.06 2dbh s SER 77 Ca 0.00 -0.25 0.16 0.00 0.70 0.00 0.00 55.95 56.57 2dbh s SER 77 Cb 0.00 0.29 0.56 0.00 -1.71 0.00 0.00 66.02 65.15 2dbh s SER 77 CO 0.00 -0.53 1.68 -0.61 1.20 0.00 0.00 173.24 174.98 2dbh h GLN 78 N 2.00 0.00 -0.05 5.44 -0.00 -1.94 0.16 115.11 120.72 2dbh h GLN 78 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.35 2dbh h GLN 78 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.69 2dbh h GLN 78 CO 0.28 0.45 -0.07 1.49 0.00 0.00 0.00 178.83 180.97 2dbh h GLU 79 N 0.00 0.07 0.00 1.69 4.57 -1.98 -1.92 114.58 117.01 2dbh h GLU 79 Ca -0.00 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 57.88 2dbh h GLU 79 Cb 0.98 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 2dbh h GLU 79 CO 0.06 0.15 -2.07 0.00 -1.18 0.00 0.00 179.01 175.97 2dbh n ALA 80 N -2.51 1.61 -0.06 2.92 0.00 -1.14 -4.13 120.51 117.19 2dbh n ALA 80 Ca -0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.40 2dbh n ALA 80 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 0.25 -0.18 0.00 0.87 -0.64 0.23 113.55 114.08 2dbh h SER 81 Ca -0.42 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2dbh h SER 81 Cb 1.82 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 2dbh h SER 81 CO -0.02 0.19 0.04 -0.61 -0.53 0.00 0.00 176.83 175.90 2dbh h GLN 82 N 0.31 0.30 -0.68 2.24 5.75 -1.58 -2.85 115.11 118.60 2dbh h GLN 82 Ca 0.09 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2dbh h GLN 82 Cb -0.02 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2dbh h GLN 82 CO -0.04 0.44 0.33 1.15 -2.65 0.00 0.00 178.83 178.07 2dbh h THR 83 N 0.10 1.22 -0.22 2.39 2.02 -1.68 -1.12 112.91 115.63 2dbh h THR 83 Ca 0.06 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2dbh h THR 83 Cb 0.28 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2dbh h THR 83 CO 0.00 0.25 0.15 0.25 0.37 0.00 0.00 175.52 176.54 2dbh h LEU 84 N 0.96 0.26 0.14 2.58 5.85 -0.37 0.39 115.31 125.12 2dbh h LEU 84 Ca 0.24 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 2dbh h LEU 84 Cb 0.09 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.07 2dbh h LEU 84 CO -0.03 0.19 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.13 2dbh h LEU 85 N 0.30 0.46 -0.85 2.25 3.38 -1.14 -3.26 115.31 116.45 2dbh h LEU 85 Ca 0.08 -0.92 -0.10 0.00 0.09 0.00 0.00 57.88 57.04 2dbh h LEU 85 Cb -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2dbh h LEU 85 CO -0.02 1.49 -0.19 0.44 0.09 0.00 0.00 178.44 180.25 2dbh h ASP 86 N -0.32 0.65 0.10 -0.43 5.19 -0.92 -2.69 116.42 118.00 2dbh h ASP 86 Ca -0.20 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 55.97 2dbh h ASP 86 Cb 1.72 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 2dbh h ASP 86 CO 0.13 0.84 -0.12 -1.28 -3.12 0.00 0.00 179.24 175.69 2dbh h SER 87 N 0.58 0.03 0.52 6.45 0.87 -0.35 0.86 113.55 122.51 2dbh h SER 87 Ca 0.09 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 2dbh h SER 87 Cb 0.64 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2dbh h SER 87 CO 0.05 0.16 -0.42 0.58 -0.53 0.00 0.00 176.83 176.66 2dbh h VAL 88 N 0.04 1.20 0.00 2.23 2.07 -1.51 -1.98 116.25 118.29 2dbh h VAL 88 Ca 0.01 -1.50 -0.36 0.00 0.82 0.00 0.00 66.70 65.67 2dbh h VAL 88 Cb 0.23 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 2dbh h VAL 88 CO 0.02 0.41 -2.37 -1.22 0.02 0.00 0.00 177.57 174.43 2dbh n TYR 89 N -3.88 0.02 -0.10 1.57 4.01 -0.69 -3.38 117.16 114.70 2dbh n TYR 89 Ca -0.01 0.01 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 2dbh n TYR 89 Cb 0.47 -1.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.46 2dbh n TYR 89 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2dbh h SER 90 N 0.00 0.67 0.14 7.72 0.87 0.71 -3.27 113.55 120.39 2dbh h SER 90 Ca -0.54 -0.41 -0.27 0.00 -1.23 0.00 0.00 61.79 59.34 2dbh h SER 90 Cb 2.23 -0.19 0.03 0.00 -0.44 0.00 0.00 62.40 64.04 2dbh h SER 90 CO 0.03 0.93 -1.14 0.45 -0.53 0.00 0.00 176.83 176.57 2dbh h HIS 91 N 0.41 0.87 -3.56 2.24 3.86 -1.57 -3.40 115.15 114.00 2dbh h HIS 91 Ca 0.07 -0.58 -0.76 0.00 -1.16 0.00 0.00 60.37 57.94 2dbh h HIS 91 Cb 0.68 -0.06 -0.27 0.00 1.06 0.00 0.00 27.41 28.82 2dbh h HIS 91 CO 0.06 1.43 -0.10 -0.51 0.86 0.00 0.00 177.93 179.67 2dbh s LEU 92 N -7.87 6.28 0.45 2.43 1.43 -1.22 -4.90 118.68 115.29 2dbh s LEU 92 Ca -0.11 -2.43 0.23 0.00 -1.03 0.00 0.00 54.13 50.79 2dbh s LEU 92 Cb 0.04 -2.13 1.07 0.00 0.03 0.00 0.00 46.19 45.20 2dbh s LEU 92 CO 0.90 -0.62 1.91 1.55 0.23 0.00 0.00 176.35 180.33 2dbh h PRO 93 N 7.98 0.00 -0.95 1.29 0.13 -1.79 -3.02 132.00 135.64 2dbh h PRO 93 Ca -0.04 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 2dbh h PRO 93 Cb 1.04 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 2dbh h PRO 93 CO 0.82 0.23 0.62 0.22 -0.23 0.00 0.00 178.00 179.66 2dbh h ASP 94 N 0.00 1.02 0.04 1.44 1.82 -1.90 -1.28 116.42 117.56 2dbh h ASP 94 Ca -0.00 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.59 2dbh h ASP 94 Cb 0.59 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2dbh h ASP 94 CO 0.03 0.69 -0.12 -0.07 -1.61 0.00 0.00 179.24 178.16 2dbh h LEU 95 N 1.19 0.17 -8.96 2.28 3.38 -1.87 -3.41 115.31 108.09 2dbh h LEU 95 Ca 0.39 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.76 2dbh h LEU 95 Cb 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2dbh h LEU 95 CO -0.13 0.31 1.01 -0.76 0.09 0.00 0.00 178.44 178.96 2dbh s LEU 96 N -8.78 3.86 0.43 1.67 1.43 -0.49 -5.01 118.68 111.79 2dbh s LEU 96 Ca -0.05 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.38 2dbh s LEU 96 Cb 0.16 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.85 2dbh s LEU 96 CO 0.72 -1.14 0.56 -0.94 0.23 0.00 0.00 176.35 175.78 2dbh s SER 97 N 3.14 5.56 0.00 2.29 1.04 -1.26 -4.99 113.70 119.48 2dbh s SER 97 Ca 0.59 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2dbh s SER 97 Cb -0.18 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.34 2dbh s SER 97 CO 0.25 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2dbh n GLY 98 N -1.83 -0.28 3.57 7.32 0.00 -1.26 -5.04 105.19 107.66 2dbh n GLY 98 Ca 0.08 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 2.57 0.36 1.61 0.04 -1.26 -4.86 135.00 131.46 2dbh s PRO 99 Ca 0.00 -0.68 0.01 0.00 0.04 0.00 0.00 61.00 60.36 2dbh s PRO 99 Cb 0.00 -5.15 -0.00 0.00 0.04 0.00 0.00 34.50 29.39 2dbh s PRO 99 CO 0.00 -3.58 0.45 0.45 0.04 0.00 0.00 177.00 174.36 2dbh n SER 100 N 13.96 -1.24 -3.93 6.66 2.88 -1.26 -5.19 113.62 125.50 2dbh n SER 100 Ca 0.42 -3.04 -0.23 0.00 -1.33 0.00 0.00 58.87 54.70 2dbh n SER 100 Cb 0.47 2.41 -0.04 0.00 -0.75 0.00 0.00 64.21 66.30 2dbh n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dbh n SER 101 N -1.62 2.90 -0.18 -3.46 2.88 -1.26 -5.25 113.62 107.63 2dbh n SER 101 Ca 0.03 -2.56 0.15 0.00 -1.33 0.00 0.00 58.87 55.16 2dbh n SER 101 Cb 0.61 0.21 0.79 0.00 -0.75 0.00 0.00 64.21 65.08 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42