#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 6.79 0.09 1.61 0.01 -1.26 -5.03 113.70 115.92 2dbh s SER 2 Ca 0.00 2.65 -0.14 0.00 1.31 0.00 0.00 55.95 59.76 2dbh s SER 2 Cb 0.00 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2dbh s SER 2 CO 0.00 -0.53 0.34 -0.44 0.41 0.00 0.00 173.24 173.02 2dbh s SER 3 N -0.36 -0.15 -0.24 2.44 0.01 -1.26 -5.18 113.70 108.97 2dbh s SER 3 Ca 0.50 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 2dbh s SER 3 Cb -0.39 0.42 0.15 0.00 0.21 0.00 0.00 66.02 66.40 2dbh s SER 3 CO 0.50 -0.75 1.14 -0.83 0.41 0.00 0.00 173.24 173.71 2dbh s GLY 4 N -2.55 -0.07 -0.12 3.44 0.00 -1.26 -5.16 107.32 101.60 2dbh s GLY 4 Ca 0.01 2.59 -0.00 0.00 0.00 0.00 0.00 44.72 47.31 2dbh s GLY 4 CO -0.09 1.42 -0.11 -1.35 0.00 0.00 0.00 173.10 172.97 2dbh s SER 5 N -0.53 4.22 0.24 1.64 1.04 -1.26 -4.89 113.70 114.15 2dbh s SER 5 Ca 0.03 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2dbh s SER 5 Cb -0.03 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.54 2dbh s SER 5 CO -0.05 0.19 0.00 -0.24 0.98 0.00 0.00 173.24 174.13 2dbh n SER 6 N 3.33 -2.12 0.00 7.02 2.88 -1.26 -5.10 113.62 118.38 2dbh n SER 6 Ca -0.18 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2dbh n SER 6 Cb 0.53 2.17 0.00 0.00 -0.75 0.00 0.00 64.21 66.15 2dbh n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 7 N -1.33 0.16 1.76 0.46 0.00 -1.26 -5.08 105.19 99.90 2dbh n GLY 7 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 2dbh n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 8 N 0.00 0.33 -4.55 1.61 2.88 -1.26 -5.06 113.62 107.57 2dbh n SER 8 Ca 0.00 -2.03 -0.39 0.00 -1.33 0.00 0.00 58.87 55.12 2dbh n SER 8 Cb 0.00 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 2dbh n SER 8 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbh s SER 9 N -2.00 5.89 0.23 -3.46 1.04 -1.26 -4.97 113.70 109.16 2dbh s SER 9 Ca 0.21 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 2dbh s SER 9 Cb 0.28 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.76 2dbh s SER 9 CO -0.10 -2.01 1.37 0.00 0.98 0.00 0.00 173.24 173.48 2dbh s ALA 10 N 6.91 3.57 -0.36 5.32 0.00 -1.26 -4.17 121.76 131.78 2dbh s ALA 10 Ca 0.49 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.61 2dbh s ALA 10 Cb -0.07 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2dbh s ALA 10 CO 0.10 -0.64 0.25 1.28 0.00 0.00 0.00 175.76 176.75 2dbh n LEU 11 N 2.36 -7.95 0.05 0.00 4.32 -1.26 -4.98 117.00 109.54 2dbh n LEU 11 Ca 0.06 1.06 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 2dbh n LEU 11 Cb 0.41 -3.36 0.00 0.00 -1.62 0.00 0.00 43.42 38.86 2dbh n LEU 11 CO 0.59 -2.85 0.00 -1.54 -1.22 0.00 0.00 177.39 172.37 2dbh n SER 12 N 0.28 -0.89 0.00 -1.43 3.41 -1.26 -5.02 113.62 108.71 2dbh n SER 12 Ca 0.05 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2dbh n SER 12 Cb 0.19 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 2dbh n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2dbh n ARG 13 N -2.64 0.00 -0.72 4.33 0.63 -1.26 -5.09 116.66 111.91 2dbh n ARG 13 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2dbh n ARG 13 Cb 0.00 -0.48 0.26 0.00 0.45 0.00 0.00 32.46 32.69 2dbh n ARG 13 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2dbh s ASN 14 N -4.47 -0.01 0.57 6.15 3.84 -1.26 -4.98 114.94 114.78 2dbh s ASN 14 Ca 0.00 0.79 -0.18 0.00 0.21 0.00 0.00 52.86 53.68 2dbh s ASN 14 Cb 0.00 -1.12 -0.04 0.00 -0.55 0.00 0.00 41.25 39.53 2dbh s ASN 14 CO 0.00 -4.71 1.11 -0.83 -2.79 0.00 0.00 177.10 169.87 2dbh s GLY 15 N -3.46 2.45 -0.16 1.21 0.00 -1.26 -4.85 107.32 101.25 2dbh s GLY 15 Ca 0.70 0.69 -0.05 0.00 0.00 0.00 0.00 44.72 46.05 2dbh s GLY 15 CO 0.57 1.04 -0.18 -1.14 0.00 0.00 0.00 173.10 173.39 2dbh n SER 16 N -1.63 1.66 0.07 1.64 3.41 -1.25 -4.69 113.62 112.84 2dbh n SER 16 Ca 0.11 0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 2dbh n SER 16 Cb 0.52 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 2dbh n SER 16 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2dbh h PHE 17 N -0.39 0.39 -4.12 7.33 -1.00 -1.84 -3.45 116.94 113.86 2dbh h PHE 17 Ca -0.38 -0.29 -0.63 0.00 2.81 0.00 0.00 57.97 59.48 2dbh h PHE 17 Cb 1.40 -0.02 -0.31 0.00 3.61 0.00 0.00 35.95 40.64 2dbh h PHE 17 CO -0.03 1.28 -0.86 0.42 -1.61 0.00 0.00 178.31 177.50 2dbh s ILE 18 N -2.64 1.76 0.87 -0.55 1.01 -1.23 -5.03 121.20 115.38 2dbh s ILE 18 Ca -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 2dbh s ILE 18 Cb 0.07 -1.49 0.20 0.00 0.01 0.00 0.00 42.46 41.25 2dbh s ILE 18 CO 0.86 0.50 1.18 0.35 0.00 0.00 0.00 174.94 177.83 2dbh n THR 19 N 2.89 0.00 0.03 2.92 -2.24 -1.26 -4.26 114.28 112.36 2dbh n THR 19 Ca -0.17 -0.97 -0.09 0.00 -2.27 0.00 0.00 64.05 60.55 2dbh n THR 19 Cb 0.52 -1.47 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 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 0.03 -0.06 -0.78 3.64 -2.01 -3.31 116.57 114.09 2dbh h LYS 20 Ca -0.38 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.83 2dbh h LYS 20 Cb 1.09 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2dbh h LYS 20 CO 0.28 0.82 -0.48 0.93 -2.27 0.00 0.00 179.45 178.73 2dbh h GLU 21 N 0.01 0.14 -0.55 1.90 5.08 -2.00 -2.90 114.58 116.26 2dbh h GLU 21 Ca -0.15 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2dbh h GLU 21 Cb 1.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 2dbh h GLU 21 CO 0.11 0.59 0.02 0.87 -1.00 0.00 0.00 179.01 179.60 2dbh h LYS 22 N 0.11 0.96 -0.68 2.33 1.57 -1.96 -1.34 116.57 117.56 2dbh h LYS 22 Ca 0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 2dbh h LYS 22 Cb 0.89 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2dbh h LYS 22 CO 0.07 0.96 0.13 0.87 -0.57 0.00 0.00 179.45 180.90 2dbh h LYS 23 N 0.84 1.10 -0.46 3.15 1.57 -1.62 -2.91 116.57 118.23 2dbh h LYS 23 Ca 0.16 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 2dbh h LYS 23 Cb 0.51 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2dbh h LYS 23 CO 0.02 1.00 -0.24 0.22 -0.57 0.00 0.00 179.45 179.88 2dbh h ASP 24 N 1.04 1.01 -0.20 0.86 3.58 -1.36 -2.77 116.42 118.58 2dbh h ASP 24 Ca 0.21 -0.39 0.06 0.00 0.42 0.00 0.00 57.03 57.32 2dbh h ASP 24 Cb 0.42 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2dbh h ASP 24 CO 0.01 1.19 0.15 0.74 -2.88 0.00 0.00 179.24 178.45 2dbh h THR 25 N 0.83 0.84 0.02 2.25 2.02 -1.06 0.39 112.91 118.20 2dbh h THR 25 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 2dbh h THR 25 Cb 0.82 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2dbh h THR 25 CO 0.07 0.00 -0.18 0.58 0.37 0.00 0.00 175.52 176.36 2dbh h VAL 26 N 0.00 1.65 -0.06 3.16 2.07 -1.35 -3.27 116.25 118.45 2dbh h VAL 26 Ca 0.10 -2.14 -0.10 0.00 0.82 0.00 0.00 66.70 65.38 2dbh h VAL 26 Cb 0.40 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2dbh h VAL 26 CO -0.00 0.57 -0.41 -0.07 0.02 0.00 0.00 177.57 177.69 2dbh h LEU 27 N -0.72 0.14 -1.82 2.57 3.38 -1.18 -2.77 115.31 114.91 2dbh h LEU 27 Ca -0.03 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2dbh h LEU 27 Cb 1.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2dbh h LEU 27 CO 0.03 0.54 0.16 -0.09 0.09 0.00 0.00 178.44 179.17 2dbh h ARG 28 N 0.12 0.23 0.03 1.13 2.43 -0.34 0.75 114.38 118.73 2dbh h ARG 28 Ca 0.01 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2dbh h ARG 28 Cb 0.77 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2dbh h ARG 28 CO 0.06 0.15 -1.01 1.96 -1.51 0.00 0.00 179.97 179.62 2dbh h GLN 29 N 0.24 0.09 0.07 0.20 4.20 -1.54 -3.19 115.11 115.18 2dbh h GLN 29 Ca 0.09 -0.14 -0.27 0.00 0.06 0.00 0.00 58.65 58.39 2dbh h GLN 29 Cb 0.09 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2dbh h GLN 29 CO -0.02 1.02 -1.37 0.28 -0.67 0.00 0.00 178.83 178.06 2dbh h VAL 30 N 0.04 1.30 0.18 -0.54 2.07 -1.16 -3.16 116.25 114.97 2dbh h VAL 30 Ca -0.04 -2.99 -0.01 0.00 0.82 0.00 0.00 66.70 64.48 2dbh h VAL 30 Cb 1.72 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 2dbh h VAL 30 CO 0.14 0.82 -0.09 0.03 0.02 0.00 0.00 177.57 178.49 2dbh h ARG 31 N 0.04 -0.24 0.08 1.57 3.08 0.40 -3.09 114.38 116.20 2dbh h ARG 31 Ca -0.17 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2dbh h ARG 31 Cb 1.94 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.05 2dbh h ARG 31 CO 0.14 -0.16 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.77 2dbh h LEU 32 N -0.25 -0.09 -7.91 3.04 3.38 -1.69 -3.43 115.31 108.35 2dbh h LEU 32 Ca -0.02 -0.06 -0.46 0.00 0.09 0.00 0.00 57.88 57.43 2dbh h LEU 32 Cb 0.20 0.02 -0.33 0.00 0.09 0.00 0.00 40.66 40.65 2dbh h LEU 32 CO 0.03 0.00 -0.80 -1.81 0.09 0.00 0.00 178.44 175.96 2dbh s ASP 33 N -5.16 1.38 0.70 -0.43 1.01 -1.17 -5.14 116.67 107.85 2dbh s ASP 33 Ca -0.14 -0.22 -0.11 0.00 0.71 0.00 0.00 52.55 52.79 2dbh s ASP 33 Cb 0.05 -0.58 0.01 0.00 1.01 0.00 0.00 42.92 43.41 2dbh s ASP 33 CO 0.65 0.02 1.07 -2.16 0.21 0.00 0.00 175.17 174.96 2dbh s PRO 34 N 0.61 2.83 0.10 8.23 0.04 -1.21 -4.03 135.00 141.56 2dbh s PRO 34 Ca -0.11 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.72 2dbh s PRO 34 Cb -0.14 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2dbh s PRO 34 CO 0.02 -1.19 0.73 0.00 0.04 0.00 0.00 177.00 176.60 2dbh s ASP 36 N -2.65 6.00 -0.58 0.00 2.15 -1.26 -4.86 116.67 115.46 2dbh s ASP 36 Ca 0.03 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.68 2dbh s ASP 36 Cb -0.01 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.60 2dbh s ASP 36 CO -0.11 -1.74 1.98 0.18 -0.17 0.00 0.00 175.17 175.32 2dbh n LEU 37 N 10.02 7.31 -0.08 -1.34 4.77 -1.26 -4.52 117.00 131.90 2dbh n LEU 37 Ca 0.17 -4.04 -0.14 0.00 -0.03 0.00 0.00 56.01 51.97 2dbh n LEU 37 Cb 0.49 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 2dbh n LEU 37 CO 0.70 1.32 -0.10 -0.61 -1.33 0.00 0.00 177.39 177.38 2dbh h GLN 38 N 1.63 0.00 -0.41 3.23 5.75 -1.99 -3.11 115.11 120.20 2dbh h GLN 38 Ca 0.62 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 59.24 2dbh h GLN 38 Cb 1.58 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.12 2dbh h GLN 38 CO 1.40 0.77 0.41 -1.35 -2.65 0.00 0.00 178.83 177.41 2dbh h PRO 39 N -1.00 0.00 0.00 -2.39 0.11 -1.98 0.62 132.00 127.36 2dbh h PRO 39 Ca -0.14 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.71 2dbh h PRO 39 Cb 0.95 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 2dbh h PRO 39 CO -0.08 0.00 -1.44 0.82 -0.21 0.00 0.00 178.00 177.09 2dbh h ILE 40 N 0.00 1.18 0.12 4.15 2.04 -1.86 -3.22 117.51 119.92 2dbh h ILE 40 Ca 0.20 -2.98 -0.25 0.00 1.00 0.00 0.00 64.86 62.83 2dbh h ILE 40 Cb 1.01 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2dbh h ILE 40 CO -0.00 0.67 -1.23 -0.26 0.00 0.00 0.00 178.15 177.33 2dbh h PHE 41 N 0.00 0.45 0.00 1.37 0.04 -0.77 -3.06 116.94 114.97 2dbh h PHE 41 Ca -0.18 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.27 2dbh h PHE 41 Cb 1.92 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.05 2dbh h PHE 41 CO 0.00 1.48 0.00 -0.25 -0.60 0.00 0.00 178.31 178.94 2dbh n ASP 42 N -4.01 0.63 -0.02 2.17 9.92 0.19 0.13 116.55 125.56 2dbh n ASP 42 Ca -0.22 0.69 -0.01 0.00 -0.53 0.00 0.00 54.79 54.72 2dbh n ASP 42 Cb 0.87 -0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 40.40 2dbh n ASP 42 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2dbh n ASP 43 N -2.24 0.38 -0.04 -2.24 2.03 -1.21 -4.41 116.55 108.83 2dbh n ASP 43 Ca 0.01 0.17 0.02 0.00 0.52 0.00 0.00 54.79 55.51 2dbh n ASP 43 Cb 0.17 0.84 -0.13 0.00 -0.72 0.00 0.00 41.12 41.28 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 -2.71 0.85 -0.08 -0.67 2.81 -0.94 -4.42 117.12 111.95 2dbh n MET 44 Ca -0.16 -0.10 0.21 0.00 -1.81 0.00 0.00 57.70 55.83 2dbh n MET 44 Cb 0.89 -1.42 0.65 0.00 -0.71 0.00 0.00 33.22 32.64 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 0.09 -0.39 4.03 3.38 0.85 0.29 115.31 123.57 2dbh h LEU 45 Ca -0.17 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2dbh h LEU 45 Cb 1.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2dbh h LEU 45 CO 0.01 0.05 -0.53 -0.74 0.09 0.00 0.00 178.44 177.32 2dbh h HIS 46 N 0.10 0.00 -0.09 1.13 2.76 -1.79 -3.17 115.15 114.09 2dbh h HIS 46 Ca 0.32 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.39 2dbh h HIS 46 Cb 1.14 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 2dbh h HIS 46 CO -0.00 0.53 -0.43 0.74 -1.30 0.00 0.00 177.93 177.47 2dbh h PHE 47 N 0.00 0.23 -4.33 5.26 -1.00 -0.66 -3.44 116.94 113.00 2dbh h PHE 47 Ca -0.01 -0.06 -0.51 0.00 2.81 0.00 0.00 57.97 60.20 2dbh h PHE 47 Cb 1.24 -0.05 0.10 0.00 3.61 0.00 0.00 35.95 40.85 2dbh h PHE 47 CO 0.00 0.59 0.36 -0.51 -1.61 0.00 0.00 178.31 177.15 2dbh s LEU 48 N -8.19 3.09 0.29 1.54 1.43 -1.08 -5.07 118.68 110.68 2dbh s LEU 48 Ca -0.04 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.75 2dbh s LEU 48 Cb 0.13 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 2dbh s LEU 48 CO 0.77 -1.55 0.35 0.20 0.23 0.00 0.00 176.35 176.35 2dbh s ASN 49 N -3.75 5.87 0.32 2.29 0.01 -1.26 -4.91 114.94 113.51 2dbh s ASN 49 Ca 0.59 -0.17 0.07 0.00 -0.71 0.00 0.00 52.86 52.64 2dbh s ASN 49 Cb -0.14 -1.42 0.78 0.00 0.41 0.00 0.00 41.25 40.88 2dbh s ASN 49 CO 0.55 -0.23 1.80 -0.65 -1.51 0.00 0.00 177.10 177.06 2dbh h PRO 50 N 1.16 0.71 -0.02 -0.60 0.11 -1.97 0.48 132.00 131.87 2dbh h PRO 50 Ca -0.48 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 2dbh h PRO 50 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2dbh h PRO 50 CO 0.58 0.47 -0.64 1.49 -0.21 0.00 0.00 178.00 179.69 2dbh h GLU 51 N 0.73 0.10 0.11 1.05 4.81 -2.01 -3.10 114.58 116.27 2dbh h GLU 51 Ca 0.55 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 59.45 2dbh h GLU 51 Cb 0.91 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2dbh h GLU 51 CO -0.34 0.71 -1.20 0.93 -0.73 0.00 0.00 179.01 178.38 2dbh h GLU 52 N 0.07 0.26 -0.21 1.92 5.08 -1.21 -3.26 114.58 117.22 2dbh h GLU 52 Ca -0.01 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2dbh h GLU 52 Cb 1.15 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2dbh h GLU 52 CO 0.09 1.19 0.08 -0.07 -1.00 0.00 0.00 179.01 179.30 2dbh h LEU 53 N 0.08 0.25 -1.90 1.33 3.38 -0.14 -1.53 115.31 116.78 2dbh h LEU 53 Ca -0.12 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2dbh h LEU 53 Cb 1.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2dbh h LEU 53 CO 0.20 0.24 0.08 -0.09 0.09 0.00 0.00 178.44 178.96 2dbh h ARG 54 N 0.29 0.14 -0.04 1.13 2.43 -1.58 0.73 114.38 117.47 2dbh h ARG 54 Ca 0.07 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 2dbh h ARG 54 Cb 0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2dbh h ARG 54 CO -0.01 0.09 -0.60 0.28 -1.51 0.00 0.00 179.97 178.22 2dbh h VAL 55 N 0.14 1.40 0.00 0.20 2.07 -1.43 -3.17 116.25 115.47 2dbh h VAL 55 Ca 0.05 -2.00 -0.30 0.00 0.82 0.00 0.00 66.70 65.26 2dbh h VAL 55 Cb 0.02 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2dbh h VAL 55 CO -0.01 0.58 -1.78 -0.38 0.02 0.00 0.00 177.57 176.01 2dbh n ILE 56 N -3.86 1.59 0.17 4.57 5.41 -0.47 -4.04 119.36 122.73 2dbh n ILE 56 Ca -0.02 -0.80 0.11 0.00 1.00 0.00 0.00 62.75 63.03 2dbh n ILE 56 Cb 0.61 -0.98 0.63 0.00 -0.71 0.00 0.00 39.64 39.19 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 0.06 -0.60 0.38 5.08 0.41 -1.36 114.58 118.55 2dbh h GLU 57 Ca -0.31 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2dbh h GLU 57 Cb 2.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 2dbh h GLU 57 CO 0.07 0.04 0.24 0.93 -1.00 0.00 0.00 179.01 179.29 2dbh h GLU 58 N 0.06 0.87 -6.59 2.33 4.39 -1.69 -3.40 114.58 110.55 2dbh h GLU 58 Ca 0.08 -0.14 -0.56 0.00 0.34 0.00 0.00 59.36 59.08 2dbh h GLU 58 Cb 0.25 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 2dbh h GLU 58 CO -0.01 0.72 0.94 0.42 -1.16 0.00 0.00 179.01 179.92 2dbh s ILE 59 N -5.40 4.20 0.02 3.13 1.01 -0.51 -4.91 121.20 118.74 2dbh s ILE 59 Ca -0.10 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.62 2dbh s ILE 59 Cb 0.16 -4.47 -0.23 0.00 0.01 0.00 0.00 42.46 37.93 2dbh s ILE 59 CO 0.79 -0.84 1.13 1.55 0.00 0.00 0.00 174.94 177.57 2dbh h PRO 60 N 9.31 0.48 -7.00 2.79 0.13 -1.83 -3.45 132.00 132.43 2dbh h PRO 60 Ca -0.24 -0.49 -0.39 0.00 -0.87 0.00 0.00 66.00 64.01 2dbh h PRO 60 Cb 1.07 0.14 0.22 0.00 0.13 0.00 0.00 31.00 32.56 2dbh h PRO 60 CO 1.10 1.14 -0.14 -0.65 -0.23 0.00 0.00 178.00 179.22 2dbh s GLN 61 N -3.30 -2.88 -0.19 0.86 -0.21 -1.26 -4.98 119.66 107.70 2dbh s GLN 61 Ca -0.13 0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.53 2dbh s GLN 61 Cb 0.04 -1.37 -0.11 0.00 1.00 0.00 0.00 33.01 32.57 2dbh s GLN 61 CO 0.84 -4.88 -0.19 0.00 -2.12 0.00 0.00 175.29 168.94 2dbh n ALA 62 N -5.66 1.63 -0.36 6.09 0.00 -1.26 -3.81 120.51 117.14 2dbh n ALA 62 Ca 0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 2dbh n ALA 62 Cb 0.59 0.12 0.12 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.19 1.29 0.01 0.00 4.81 -2.00 -2.22 114.58 116.28 2dbh h GLU 63 Ca -0.44 -0.09 -0.20 0.00 -0.13 0.00 0.00 59.36 58.50 2dbh h GLU 63 Cb 1.59 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2dbh h GLU 63 CO -0.13 0.87 -0.96 -0.44 -0.73 0.00 0.00 179.01 177.62 2dbh h ASP 64 N 1.32 0.05 -0.62 1.04 3.32 -1.98 -3.25 116.42 116.30 2dbh h ASP 64 Ca 0.35 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2dbh h ASP 64 Cb -0.13 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2dbh h ASP 64 CO -0.07 0.98 0.39 0.50 -1.72 0.00 0.00 179.24 179.32 2dbh h LYS 65 N 0.01 0.83 -0.04 3.56 3.64 -1.51 -1.64 116.57 121.43 2dbh h LYS 65 Ca -0.02 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 2dbh h LYS 65 Cb 1.68 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 2dbh h LYS 65 CO 0.13 0.57 -0.45 1.25 -2.27 0.00 0.00 179.45 178.69 2dbh h LEU 66 N 0.85 0.10 -2.00 5.20 5.85 -1.48 -2.74 115.31 121.08 2dbh h LEU 66 Ca 0.23 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2dbh h LEU 66 Cb -0.06 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2dbh h LEU 66 CO -0.05 0.53 0.02 -0.78 -0.34 0.00 0.00 178.44 177.83 2dbh h ASP 67 N 0.08 0.00 0.67 1.25 1.82 -1.37 -1.72 116.42 117.14 2dbh h ASP 67 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.38 2dbh h ASP 67 Cb 0.82 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.79 2dbh h ASP 67 CO 0.06 0.00 -1.43 -0.09 -1.61 0.00 0.00 179.24 176.17 2dbh h ARG 68 N 0.00 0.03 -0.20 0.28 9.65 -1.48 -3.25 114.38 119.40 2dbh h ARG 68 Ca 0.01 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2dbh h ARG 68 Cb 0.06 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2dbh h ARG 68 CO -0.00 0.76 0.14 1.25 2.80 0.00 0.00 179.97 184.91 2dbh h LEU 69 N 0.01 0.21 0.00 3.80 5.85 -1.08 -1.54 115.31 122.56 2dbh h LEU 69 Ca -0.18 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.32 2dbh h LEU 69 Cb 1.92 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.87 2dbh h LEU 69 CO 0.11 0.15 -1.09 -0.26 -0.34 0.00 0.00 178.44 177.01 2dbh h PHE 70 N 0.25 0.00 0.23 1.25 -1.00 -1.60 -2.94 116.94 113.13 2dbh h PHE 70 Ca 0.08 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 2dbh h PHE 70 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 2dbh h PHE 70 CO -0.00 0.93 -0.11 1.49 -1.61 0.00 0.00 178.31 179.01 2dbh h GLU 71 N 0.00 -0.30 0.48 1.51 4.22 -1.32 0.81 114.58 119.98 2dbh h GLU 71 Ca -0.07 0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 2dbh h GLU 71 Cb 1.77 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2dbh h GLU 71 CO 0.11 -0.10 -0.23 0.82 -2.18 0.00 0.00 179.01 177.43 2dbh h ILE 72 N -0.44 0.00 0.00 2.32 2.04 -1.60 -3.21 117.51 116.62 2dbh h ILE 72 Ca -0.03 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2dbh h ILE 72 Cb 0.33 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2dbh h ILE 72 CO 0.05 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.60 2dbh h ILE 73 N -1.03 0.70 -0.22 -0.67 2.04 -1.62 -1.79 117.51 114.91 2dbh h ILE 73 Ca -0.07 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2dbh h ILE 73 Cb 0.49 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2dbh h ILE 73 CO 0.11 0.01 0.19 1.23 0.00 0.00 0.00 178.15 179.68 2dbh h GLY 74 N 0.03 0.00 -1.69 5.37 0.00 0.65 -1.80 103.07 105.63 2dbh h GLY 74 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2dbh h GLY 74 CO 0.00 0.00 -0.60 -0.62 0.00 0.00 0.00 176.54 175.32 2dbh n VAL 75 N -4.15 2.14 0.00 4.60 0.31 -0.68 -2.36 118.33 118.20 2dbh n VAL 75 Ca 0.02 -3.31 0.00 0.00 -0.01 0.00 0.00 64.34 61.04 2dbh n VAL 75 Cb 0.32 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2dbh n VAL 75 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2dbh n LYS 76 N -0.95 0.00 -3.61 5.55 4.76 -0.68 -5.04 118.16 118.20 2dbh n LYS 76 Ca 0.23 0.06 -0.03 0.00 -2.87 0.00 0.00 58.31 55.71 2dbh n LYS 76 Cb 0.77 -0.40 -0.01 0.00 -1.84 0.00 0.00 35.03 33.54 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dbh s SER 77 N -2.63 -0.13 0.55 4.39 0.15 -1.26 -5.01 113.70 109.75 2dbh s SER 77 Ca 0.00 -0.07 0.21 0.00 0.70 0.00 0.00 55.95 56.80 2dbh s SER 77 Cb 0.00 0.18 1.48 0.00 -1.71 0.00 0.00 66.02 65.97 2dbh s SER 77 CO 0.00 -0.31 2.19 -0.61 1.20 0.00 0.00 173.24 175.71 2dbh h GLN 78 N 2.00 0.00 -0.02 5.44 4.15 -1.96 0.80 115.11 125.53 2dbh h GLN 78 Ca -0.18 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 2dbh h GLN 78 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2dbh h GLN 78 CO 0.25 0.00 -0.33 0.93 -1.93 0.00 0.00 178.83 177.75 2dbh h GLU 79 N 0.00 0.03 0.00 1.69 4.39 -1.98 -0.45 114.58 118.25 2dbh h GLU 79 Ca 0.00 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 2dbh h GLU 79 Cb 0.01 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 2dbh h GLU 79 CO -0.00 0.36 -2.26 0.00 -1.16 0.00 0.00 179.01 175.95 2dbh n ALA 80 N -2.48 1.54 -0.10 3.43 0.00 -0.39 -3.99 120.51 118.52 2dbh n ALA 80 Ca -0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.17 2dbh n ALA 80 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 0.84 0.43 0.00 0.87 0.55 -1.04 113.55 115.20 2dbh h SER 81 Ca -0.50 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 59.49 2dbh h SER 81 Cb 2.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 2dbh h SER 81 CO -0.01 1.14 -0.46 -0.61 -0.53 0.00 0.00 176.83 176.36 2dbh h GLN 82 N 0.55 0.04 0.01 2.24 5.75 -1.27 -2.73 115.11 119.70 2dbh h GLN 82 Ca 0.05 -0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 58.32 2dbh h GLN 82 Cb 0.91 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 2dbh h GLN 82 CO 0.08 0.49 -0.99 1.15 -2.65 0.00 0.00 178.83 176.92 2dbh h THR 83 N 0.03 1.67 -0.33 2.39 2.02 -1.67 -2.53 112.91 114.50 2dbh h THR 83 Ca -0.00 -3.26 -0.09 0.00 0.77 0.00 0.00 66.41 63.84 2dbh h THR 83 Cb 0.83 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 2dbh h THR 83 CO 0.06 0.93 -0.14 0.25 0.37 0.00 0.00 175.52 177.00 2dbh h LEU 84 N 0.01 0.68 -0.48 2.58 5.85 -1.00 0.81 115.31 123.77 2dbh h LEU 84 Ca -0.02 -0.40 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 2dbh h LEU 84 Cb 1.73 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 2dbh h LEU 84 CO 0.13 0.93 -0.76 -0.07 -0.34 0.00 0.00 178.44 178.33 2dbh h LEU 85 N 0.44 0.02 0.21 2.25 3.38 -1.57 -3.18 115.31 116.86 2dbh h LEU 85 Ca 0.08 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.68 2dbh h LEU 85 Cb 0.66 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.42 2dbh h LEU 85 CO 0.04 0.77 -1.65 -0.78 0.09 0.00 0.00 178.44 176.92 2dbh h ASP 86 N 0.01 0.70 -0.28 -0.43 1.82 -1.37 -3.32 116.42 113.55 2dbh h ASP 86 Ca -0.01 -0.91 0.08 0.00 -0.39 0.00 0.00 57.03 55.80 2dbh h ASP 86 Cb 1.34 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 2dbh h ASP 86 CO 0.10 1.75 0.22 -1.28 -1.61 0.00 0.00 179.24 178.42 2dbh h SER 87 N 0.12 0.00 0.53 2.28 0.87 0.59 0.83 113.55 118.77 2dbh h SER 87 Ca -0.31 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 2dbh h SER 87 Cb 2.13 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 64.09 2dbh h SER 87 CO 0.22 0.00 -0.25 0.58 -0.53 0.00 0.00 176.83 176.84 2dbh h VAL 88 N 0.00 0.00 -0.03 2.23 2.07 -1.64 -2.35 116.25 116.53 2dbh h VAL 88 Ca 0.13 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 2dbh h VAL 88 Cb 0.57 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2dbh h VAL 88 CO -0.00 0.00 -0.55 1.88 0.02 0.00 0.00 177.57 178.92 2dbh h TYR 89 N -1.05 0.12 -0.60 1.57 0.05 -1.61 0.14 116.97 115.59 2dbh h TYR 89 Ca -0.07 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2dbh h TYR 89 Cb 0.54 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 2dbh h TYR 89 CO 0.02 0.62 0.35 1.03 -1.05 0.00 0.00 178.16 179.13 2dbh h SER 90 N 0.07 0.73 0.39 3.88 0.87 0.61 -3.05 113.55 117.05 2dbh h SER 90 Ca -0.00 -0.07 -0.32 0.00 -1.23 0.00 0.00 61.79 60.17 2dbh h SER 90 Cb 0.99 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2dbh h SER 90 CO 0.08 0.59 -1.66 0.45 -0.53 0.00 0.00 176.83 175.76 2dbh h HIS 91 N 0.81 0.38 -3.45 2.24 3.86 -1.37 -3.41 115.15 114.21 2dbh h HIS 91 Ca 0.21 -0.28 -0.73 0.00 -1.16 0.00 0.00 60.37 58.42 2dbh h HIS 91 Cb 0.00 -0.02 -0.33 0.00 1.06 0.00 0.00 27.41 28.13 2dbh h HIS 91 CO -0.02 1.40 -0.02 -0.51 0.86 0.00 0.00 177.93 179.64 2dbh s LEU 92 N -6.84 5.76 0.35 2.43 1.43 0.47 -4.88 118.68 117.40 2dbh s LEU 92 Ca -0.11 -3.45 0.17 0.00 -1.03 0.00 0.00 54.13 49.71 2dbh s LEU 92 Cb 0.07 -1.98 0.59 0.00 0.03 0.00 0.00 46.19 44.90 2dbh s LEU 92 CO 0.83 -0.27 1.70 1.55 0.23 0.00 0.00 176.35 180.39 2dbh h PRO 93 N 6.47 0.00 -0.21 1.29 0.13 -1.77 -3.10 132.00 134.80 2dbh h PRO 93 Ca 0.13 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 2dbh h PRO 93 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2dbh h PRO 93 CO 0.85 0.42 0.15 0.22 -0.23 0.00 0.00 178.00 179.40 2dbh h ASP 94 N 0.00 0.13 0.11 1.44 3.58 -1.89 -2.61 116.42 117.17 2dbh h ASP 94 Ca -0.00 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2dbh h ASP 94 Cb 0.96 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2dbh h ASP 94 CO 0.05 0.09 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.38 2dbh h LEU 95 N 0.15 -0.13 -7.00 2.28 3.38 -1.91 -3.47 115.31 108.61 2dbh h LEU 95 Ca 0.09 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2dbh h LEU 95 Cb 0.18 0.03 -0.26 0.00 0.09 0.00 0.00 40.66 40.70 2dbh h LEU 95 CO -0.01 0.27 0.37 -0.22 0.09 0.00 0.00 178.44 178.94 2dbh s LEU 96 N -9.41 -0.53 0.20 1.67 0.20 -0.98 -5.09 118.68 104.75 2dbh s LEU 96 Ca -0.15 0.88 0.00 0.00 0.69 0.00 0.00 54.13 55.55 2dbh s LEU 96 Cb 0.02 1.82 0.00 0.00 -0.43 0.00 0.00 46.19 47.60 2dbh s LEU 96 CO 0.62 -0.14 0.00 -1.54 -0.29 0.00 0.00 176.35 174.99 2dbh n SER 97 N 3.42 0.35 0.00 3.68 3.41 -1.25 -4.68 113.62 118.56 2dbh n SER 97 Ca -0.17 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2dbh n SER 97 Cb 0.57 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbh n GLY 98 N 2.36 0.62 3.69 5.00 0.00 -1.26 -5.12 105.19 110.48 2dbh n GLY 98 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.10 0.61 -0.23 1.61 0.04 -1.26 -5.07 135.00 130.80 2dbh s PRO 99 Ca 0.00 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2dbh s PRO 99 Cb 0.00 -1.76 0.12 0.00 0.04 0.00 0.00 34.50 32.90 2dbh s PRO 99 CO 0.00 -2.61 0.34 0.45 0.04 0.00 0.00 177.00 175.22 2dbh s SER 100 N -3.51 0.50 -1.67 6.66 0.15 -1.26 -4.88 113.70 109.69 2dbh s SER 100 Ca 0.65 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 2dbh s SER 100 Cb -0.18 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2dbh s SER 100 CO 0.57 -0.30 0.18 -0.24 1.20 0.00 0.00 173.24 174.65 2dbh n SER 101 N 5.35 -5.85 0.00 5.45 2.88 -1.26 -5.26 113.62 114.94 2dbh n SER 101 Ca -0.04 -0.10 0.11 0.00 -1.33 0.00 0.00 58.87 57.51 2dbh n SER 101 Cb 0.50 -4.80 0.63 0.00 -0.75 0.00 0.00 64.21 59.79 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42