#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 5.35 -0.45 1.61 0.01 -1.26 -5.03 113.70 113.93 2dbh s SER 2 Ca 0.00 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2dbh s SER 2 Cb 0.00 -1.94 0.18 0.00 0.21 0.00 0.00 66.02 64.47 2dbh s SER 2 CO 0.00 0.06 0.49 -1.54 0.41 0.00 0.00 173.24 172.66 2dbh n SER 3 N 4.31 -1.51 -0.08 2.44 3.41 -1.26 -4.93 113.62 116.00 2dbh n SER 3 Ca -0.16 -2.60 -0.15 0.00 -0.26 0.00 0.00 58.87 55.71 2dbh n SER 3 Cb 0.52 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 2dbh n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbh n GLY 4 N 2.76 -0.41 1.59 5.00 0.00 -1.26 -5.00 105.19 107.86 2dbh n GLY 4 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.16 0.00 -5.03 1.61 2.88 -1.26 -5.13 113.62 102.53 2dbh n SER 5 Ca -0.26 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.09 2dbh n SER 5 Cb 0.59 0.04 0.05 0.00 -0.75 0.00 0.00 64.21 64.15 2dbh n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbh s SER 6 N -4.27 5.21 0.00 -3.46 0.01 -1.26 -5.05 113.70 104.88 2dbh s SER 6 Ca 0.00 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2dbh s SER 6 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2dbh s SER 6 CO 0.00 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.03 2dbh n GLY 7 N -2.17 0.00 1.58 3.44 0.00 -1.26 -4.77 105.19 102.01 2dbh n GLY 7 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 2dbh n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbh n SER 8 N 0.00 0.90 0.00 1.61 3.41 -1.26 -5.03 113.62 113.26 2dbh n SER 8 Ca 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 2dbh n SER 8 Cb 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2dbh n SER 8 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dbh n SER 9 N -2.68 0.00 -3.25 4.04 3.41 -1.26 -5.09 113.62 108.78 2dbh n SER 9 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.62 2dbh n SER 9 Cb 0.24 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dbh s ALA 10 N -1.24 -1.61 -0.04 7.33 0.00 -1.26 -5.07 121.76 119.87 2dbh s ALA 10 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 2dbh s ALA 10 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2dbh s ALA 10 CO 0.00 -1.83 0.08 1.28 0.00 0.00 0.00 175.76 175.29 2dbh n LEU 11 N 5.26 -6.46 -3.21 0.00 4.32 -1.26 -5.07 117.00 110.59 2dbh n LEU 11 Ca 0.03 2.67 0.02 0.00 -0.02 0.00 0.00 56.01 58.72 2dbh n LEU 11 Cb 0.51 -3.25 -0.02 0.00 -1.62 0.00 0.00 43.42 39.04 2dbh n LEU 11 CO -0.03 -3.27 0.15 -0.44 -1.22 0.00 0.00 177.39 172.59 2dbh s SER 12 N -0.62 -1.23 -1.66 -1.43 0.01 -1.26 -4.92 113.70 102.59 2dbh s SER 12 Ca -0.09 0.88 -0.01 0.00 1.31 0.00 0.00 55.95 58.04 2dbh s SER 12 Cb 0.01 2.09 0.00 0.00 0.21 0.00 0.00 66.02 68.33 2dbh s SER 12 CO 0.25 -0.26 0.16 0.54 0.41 0.00 0.00 173.24 174.33 2dbh n ARG 13 N 5.43 -2.43 -3.52 12.44 3.00 -1.26 -4.96 116.66 125.36 2dbh n ARG 13 Ca -0.02 0.95 -0.12 0.00 -0.01 0.00 0.00 57.85 58.64 2dbh n ARG 13 Cb 0.51 -5.61 -0.04 0.00 0.00 0.00 0.00 32.46 27.31 2dbh n ARG 13 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2dbh s ASN 14 N -2.26 -0.48 -0.39 0.55 3.84 -1.26 -5.13 114.94 109.80 2dbh s ASN 14 Ca 0.08 0.34 -0.06 0.00 0.21 0.00 0.00 52.86 53.42 2dbh s ASN 14 Cb -0.03 0.44 0.08 0.00 -0.55 0.00 0.00 41.25 41.18 2dbh s ASN 14 CO 0.10 -0.58 0.19 -0.83 -2.79 0.00 0.00 177.10 173.19 2dbh s GLY 15 N -1.71 1.93 -0.66 1.21 0.00 -1.26 -4.90 107.32 101.93 2dbh s GLY 15 Ca -0.02 -2.13 0.04 0.00 0.00 0.00 0.00 44.72 42.60 2dbh s GLY 15 CO -0.01 0.92 0.45 -0.45 0.00 0.00 0.00 173.10 174.01 2dbh s SER 16 N 1.85 4.81 -0.03 1.64 0.15 -1.26 -4.92 113.70 115.93 2dbh s SER 16 Ca 0.02 -3.53 -0.24 0.00 0.70 0.00 0.00 55.95 52.91 2dbh s SER 16 Cb -0.22 -1.68 -0.21 0.00 -1.71 0.00 0.00 66.02 62.20 2dbh s SER 16 CO 0.00 -0.16 1.12 -0.26 1.20 0.00 0.00 173.24 175.15 2dbh h PHE 17 N 5.89 0.22 -4.10 3.44 0.04 -1.95 -3.46 116.94 117.02 2dbh h PHE 17 Ca 0.07 -0.10 -0.43 0.00 2.80 0.00 0.00 57.97 60.31 2dbh h PHE 17 Cb 0.81 -0.03 -0.28 0.00 2.20 0.00 0.00 35.95 38.65 2dbh h PHE 17 CO 0.64 0.82 -0.79 0.42 -0.60 0.00 0.00 178.31 178.79 2dbh s ILE 18 N -3.52 0.91 0.07 -0.55 1.01 -1.22 -4.93 121.20 112.97 2dbh s ILE 18 Ca -0.16 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2dbh s ILE 18 Cb 0.02 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.72 2dbh s ILE 18 CO 0.73 0.21 0.07 0.41 0.00 0.00 0.00 174.94 176.36 2dbh n THR 19 N 2.67 0.00 0.02 2.92 -1.04 -1.26 -4.94 114.28 112.65 2dbh n THR 19 Ca -0.14 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 2dbh n THR 19 Cb 0.56 -0.69 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 2dbh n THR 19 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2dbh h LYS 20 N 0.00 0.11 -0.23 -2.82 2.10 -2.01 -3.29 116.57 110.43 2dbh h LYS 20 Ca -0.04 -0.19 -0.18 0.00 -2.00 0.00 0.00 60.65 58.24 2dbh h LYS 20 Cb 0.15 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2dbh h LYS 20 CO 0.06 0.86 -0.57 1.49 -2.00 0.00 0.00 179.45 179.29 2dbh h GLU 21 N 0.03 0.71 -0.08 0.07 4.57 -2.00 -2.98 114.58 114.90 2dbh h GLU 21 Ca -0.24 -0.46 -0.05 0.00 -1.18 0.00 0.00 59.36 57.43 2dbh h GLU 21 Cb 1.98 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.62 2dbh h GLU 21 CO 0.12 1.08 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.64 2dbh h LYS 22 N 0.54 0.13 -0.03 1.92 3.64 -1.98 -1.65 116.57 119.15 2dbh h LYS 22 Ca 0.01 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2dbh h LYS 22 Cb 1.15 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2dbh h LYS 22 CO 0.12 0.31 -0.63 0.87 -2.27 0.00 0.00 179.45 177.84 2dbh h LYS 23 N 0.12 0.10 0.02 1.90 1.57 -1.60 -3.10 116.57 115.58 2dbh h LYS 23 Ca 0.02 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 2dbh h LYS 23 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2dbh h LYS 23 CO 0.03 0.70 -0.97 0.22 -0.57 0.00 0.00 179.45 178.85 2dbh h ASP 24 N 0.07 0.11 0.12 0.86 3.58 -1.26 -3.20 116.42 116.70 2dbh h ASP 24 Ca -0.01 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 2dbh h ASP 24 Cb 1.13 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2dbh h ASP 24 CO 0.09 1.01 -0.17 0.74 -2.88 0.00 0.00 179.24 178.03 2dbh h THR 25 N 0.03 1.17 -0.04 2.25 2.02 -1.25 0.06 112.91 117.14 2dbh h THR 25 Ca -0.04 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 2dbh h THR 25 Cb 1.67 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2dbh h THR 25 CO 0.14 0.23 -0.15 0.58 0.37 0.00 0.00 175.52 176.69 2dbh h VAL 26 N 0.12 1.46 0.00 3.16 2.07 -1.56 -3.23 116.25 118.27 2dbh h VAL 26 Ca 0.02 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 2dbh h VAL 26 Cb 0.38 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2dbh h VAL 26 CO 0.03 0.43 -0.42 -0.07 0.02 0.00 0.00 177.57 177.55 2dbh h LEU 27 N -0.38 0.00 -1.85 2.57 3.38 -1.52 -2.77 115.31 114.74 2dbh h LEU 27 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2dbh h LEU 27 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2dbh h LEU 27 CO 0.03 0.42 0.19 -0.09 0.09 0.00 0.00 178.44 179.08 2dbh h ARG 28 N 0.00 0.18 0.03 1.13 2.43 -1.00 0.75 114.38 117.90 2dbh h ARG 28 Ca -0.00 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 2dbh h ARG 28 Cb 0.76 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2dbh h ARG 28 CO 0.05 0.12 -1.30 1.96 -1.51 0.00 0.00 179.97 179.29 2dbh h GLN 29 N 0.19 0.06 0.00 0.20 4.20 -1.53 -3.33 115.11 114.90 2dbh h GLN 29 Ca 0.12 -0.10 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 2dbh h GLN 29 Cb 0.24 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2dbh h GLN 29 CO -0.02 0.89 -1.06 0.28 -0.67 0.00 0.00 178.83 178.25 2dbh h VAL 30 N 0.02 1.58 -0.21 -0.54 2.07 -1.14 -3.27 116.25 114.76 2dbh h VAL 30 Ca -0.13 -3.29 0.04 0.00 0.82 0.00 0.00 66.70 64.13 2dbh h VAL 30 Cb 1.89 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 34.43 2dbh h VAL 30 CO 0.13 0.90 0.14 0.03 0.02 0.00 0.00 177.57 178.79 2dbh h ARG 31 N 0.00 0.10 -4.71 1.57 3.08 0.36 -2.91 114.38 111.87 2dbh h ARG 31 Ca -0.04 -0.01 -0.73 0.00 0.07 0.00 0.00 59.98 59.27 2dbh h ARG 31 Cb 1.78 -0.02 -0.19 0.00 0.08 0.00 0.00 29.97 31.62 2dbh h ARG 31 CO 0.12 0.06 1.06 -0.51 -1.07 0.00 0.00 179.97 179.64 2dbh s LEU 32 N -9.07 5.23 -0.31 3.04 1.43 -1.23 -4.68 118.68 113.08 2dbh s LEU 32 Ca -0.06 -2.73 -0.02 0.00 -1.03 0.00 0.00 54.13 50.30 2dbh s LEU 32 Cb 0.18 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2dbh s LEU 32 CO 0.70 -0.80 0.08 0.47 0.23 0.00 0.00 176.35 177.02 2dbh n ASP 33 N 5.63 -8.00 -3.69 2.29 9.92 -1.25 -4.97 116.55 116.49 2dbh n ASP 33 Ca 0.31 1.30 -0.23 0.00 -0.53 0.00 0.00 54.79 55.64 2dbh n ASP 33 Cb 0.45 -5.23 0.18 0.00 -0.64 0.00 0.00 41.12 35.87 2dbh n ASP 33 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2dbh n PRO 34 N 0.60 -2.59 0.07 -0.24 -0.02 -1.10 -4.93 135.00 126.80 2dbh n PRO 34 Ca 0.01 -0.76 0.00 0.00 -2.02 0.00 0.00 63.50 60.73 2dbh n PRO 34 Cb 0.08 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 -4.78 -0.20 -0.28 0.00 -1.08 -1.26 -5.03 116.67 104.05 2dbh s ASP 36 Ca 0.00 0.14 0.12 0.00 -0.52 0.00 0.00 52.55 52.29 2dbh s ASP 36 Cb 0.00 1.17 0.66 0.00 -1.46 0.00 0.00 42.92 43.29 2dbh s ASP 36 CO 0.00 -0.04 1.65 0.18 0.52 0.00 0.00 175.17 177.48 2dbh n LEU 37 N 5.38 5.19 0.11 -1.34 4.77 -1.26 -4.64 117.00 125.21 2dbh n LEU 37 Ca -0.08 -3.24 -0.05 0.00 -0.03 0.00 0.00 56.01 52.60 2dbh n LEU 37 Cb 0.54 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2dbh n LEU 37 CO -0.13 0.84 0.18 -0.61 -1.33 0.00 0.00 177.39 176.33 2dbh h GLN 38 N 2.24 -0.34 0.00 3.23 -0.00 -2.00 -3.13 115.11 115.10 2dbh h GLN 38 Ca 0.18 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 2dbh h GLN 38 Cb 1.98 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 29.54 2dbh h GLN 38 CO 0.54 -0.23 -0.04 -1.00 0.00 0.00 0.00 178.83 178.10 2dbh h PRO 39 N -0.88 0.00 -0.31 -2.39 0.13 -1.98 -0.09 132.00 126.47 2dbh h PRO 39 Ca -0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 2dbh h PRO 39 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 2dbh h PRO 39 CO 0.06 0.04 -0.24 0.82 -0.23 0.00 0.00 178.00 178.44 2dbh h ILE 40 N 0.00 1.27 0.10 -3.56 2.04 -1.84 -2.37 117.51 113.15 2dbh h ILE 40 Ca -0.00 -1.31 -0.30 0.00 1.00 0.00 0.00 64.86 64.25 2dbh h ILE 40 Cb 0.11 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2dbh h ILE 40 CO 0.00 0.43 -1.59 -0.26 0.00 0.00 0.00 178.15 176.74 2dbh h PHE 41 N 0.54 0.39 -0.24 1.37 0.04 -1.30 -3.29 116.94 114.45 2dbh h PHE 41 Ca 0.08 -0.29 0.07 0.00 2.80 0.00 0.00 57.97 60.63 2dbh h PHE 41 Cb 0.71 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2dbh h PHE 41 CO 0.03 1.62 0.24 -0.44 -0.60 0.00 0.00 178.31 179.16 2dbh h ASP 42 N -0.29 0.00 1.05 2.17 5.19 -1.08 0.99 116.42 124.45 2dbh h ASP 42 Ca -0.35 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.87 2dbh h ASP 42 Cb 1.78 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.27 2dbh h ASP 42 CO 0.03 0.00 -0.98 -0.78 -3.12 0.00 0.00 179.24 174.39 2dbh h ASP 43 N 0.00 0.00 0.02 6.45 1.82 -1.55 -3.30 116.42 119.85 2dbh h ASP 43 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2dbh h ASP 43 Cb 0.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2dbh h ASP 43 CO -0.00 0.83 -1.01 0.23 -1.61 0.00 0.00 179.24 177.69 2dbh n MET 44 N -3.25 0.02 -0.00 0.28 2.81 0.18 -4.33 117.12 112.83 2dbh n MET 44 Ca -0.02 -0.01 0.17 0.00 -1.81 0.00 0.00 57.70 56.03 2dbh n MET 44 Cb 0.89 -1.50 0.63 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 0.10 0.00 4.03 3.38 0.81 0.12 115.31 123.75 2dbh h LEU 45 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2dbh h LEU 45 Cb 0.51 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2dbh h LEU 45 CO 0.00 0.06 -1.29 0.45 0.09 0.00 0.00 178.44 177.75 2dbh h HIS 46 N 0.11 0.00 -0.16 1.13 3.86 -1.78 -3.33 115.15 114.98 2dbh h HIS 46 Ca 0.24 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 2dbh h HIS 46 Cb 0.82 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2dbh h HIS 46 CO -0.00 0.68 -0.22 0.74 0.86 0.00 0.00 177.93 180.00 2dbh h PHE 47 N 0.00 0.30 -3.48 2.45 -1.00 -1.20 -3.44 116.94 110.57 2dbh h PHE 47 Ca -0.15 -0.05 -0.45 0.00 2.81 0.00 0.00 57.97 60.13 2dbh h PHE 47 Cb 1.65 -0.08 0.07 0.00 3.61 0.00 0.00 35.95 41.20 2dbh h PHE 47 CO 0.00 0.48 0.17 -0.51 -1.61 0.00 0.00 178.31 176.84 2dbh s LEU 48 N -8.62 2.94 0.34 1.54 1.43 -0.85 -5.09 118.68 110.37 2dbh s LEU 48 Ca -0.05 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2dbh s LEU 48 Cb 0.15 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 2dbh s LEU 48 CO 0.75 -1.47 0.39 0.20 0.23 0.00 0.00 176.35 176.45 2dbh s ASN 49 N -4.49 5.63 0.35 2.29 0.01 -1.26 -4.96 114.94 112.51 2dbh s ASN 49 Ca 0.59 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 52.42 2dbh s ASN 49 Cb -0.11 -1.08 0.66 0.00 0.41 0.00 0.00 41.25 41.13 2dbh s ASN 49 CO 0.43 -0.41 2.00 1.55 -1.51 0.00 0.00 177.10 179.16 2dbh h PRO 50 N 1.05 0.82 -0.02 -0.60 0.13 -1.98 0.53 132.00 131.92 2dbh h PRO 50 Ca -0.45 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 2dbh h PRO 50 Cb 1.26 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2dbh h PRO 50 CO 0.55 0.54 -0.81 1.49 -0.23 0.00 0.00 178.00 179.55 2dbh h GLU 51 N 0.84 0.26 -0.04 0.86 4.81 -2.02 -3.20 114.58 116.10 2dbh h GLU 51 Ca 0.25 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 2dbh h GLU 51 Cb -0.03 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2dbh h GLU 51 CO -0.06 0.94 -0.78 0.93 -0.73 0.00 0.00 179.01 179.31 2dbh h GLU 52 N 0.16 0.28 -0.01 1.92 5.08 -1.77 -3.12 114.58 117.13 2dbh h GLU 52 Ca -0.04 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2dbh h GLU 52 Cb 1.40 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 2dbh h GLU 52 CO 0.13 0.93 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.98 2dbh h LEU 53 N 0.18 0.01 -1.67 1.33 3.38 -0.91 -1.29 115.31 116.34 2dbh h LEU 53 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2dbh h LEU 53 Cb 1.36 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2dbh h LEU 53 CO 0.12 0.03 -0.06 -0.09 0.09 0.00 0.00 178.44 178.53 2dbh h ARG 54 N 0.01 0.13 -0.04 1.13 2.43 -1.57 0.83 114.38 117.30 2dbh h ARG 54 Ca 0.00 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2dbh h ARG 54 Cb 0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2dbh h ARG 54 CO 0.00 0.21 -0.57 0.28 -1.51 0.00 0.00 179.97 178.38 2dbh h VAL 55 N 0.13 1.39 0.01 0.20 2.07 -1.37 -2.99 116.25 115.68 2dbh h VAL 55 Ca 0.03 -1.92 -0.32 0.00 0.82 0.00 0.00 66.70 65.31 2dbh h VAL 55 Cb 0.19 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 2dbh h VAL 55 CO 0.01 0.56 -1.96 -0.38 0.02 0.00 0.00 177.57 175.82 2dbh n ILE 56 N -3.88 1.55 -0.03 4.57 5.41 -0.72 -4.17 119.36 122.08 2dbh n ILE 56 Ca -0.02 -0.80 0.03 0.00 1.00 0.00 0.00 62.75 62.96 2dbh n ILE 56 Cb 0.58 -0.91 0.37 0.00 -0.71 0.00 0.00 39.64 38.98 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 0.59 -0.93 0.38 5.08 0.65 -2.18 114.58 118.18 2dbh h GLU 57 Ca -0.38 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2dbh h GLU 57 Cb 2.09 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 31.15 2dbh h GLU 57 CO 0.06 0.44 0.60 0.93 -1.00 0.00 0.00 179.01 180.04 2dbh h GLU 58 N 0.60 1.00 -6.47 2.33 4.39 -1.69 -3.39 114.58 111.36 2dbh h GLU 58 Ca 0.16 -0.06 -0.57 0.00 0.34 0.00 0.00 59.36 59.23 2dbh h GLU 58 Cb 0.02 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.39 2dbh h GLU 58 CO -0.03 0.66 1.05 0.42 -1.16 0.00 0.00 179.01 179.96 2dbh s ILE 59 N -5.92 3.94 0.06 3.13 1.01 -0.82 -4.91 121.20 117.70 2dbh s ILE 59 Ca -0.12 0.99 -0.17 0.00 0.00 0.00 0.00 60.65 61.35 2dbh s ILE 59 Cb 0.20 -4.16 -0.14 0.00 0.01 0.00 0.00 42.46 38.37 2dbh s ILE 59 CO 0.80 -0.67 1.32 1.55 0.00 0.00 0.00 174.94 177.94 2dbh h PRO 60 N 10.41 0.54 -7.06 2.79 0.13 -1.84 -3.45 132.00 133.52 2dbh h PRO 60 Ca -0.28 -0.35 -0.56 0.00 -0.87 0.00 0.00 66.00 63.95 2dbh h PRO 60 Cb 1.11 0.04 0.16 0.00 0.13 0.00 0.00 31.00 32.44 2dbh h PRO 60 CO 1.07 0.95 0.45 1.04 -0.23 0.00 0.00 178.00 181.28 2dbh n GLN 61 N -4.32 1.10 0.02 0.86 1.13 -1.26 -4.96 117.38 109.95 2dbh n GLN 61 Ca -0.06 0.43 -0.22 0.00 -1.94 0.00 0.00 57.00 55.21 2dbh n GLN 61 Cb 0.50 -2.47 -0.14 0.00 0.11 0.00 0.00 30.24 28.23 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 0.55 0.15 -0.76 -1.58 0.00 -1.99 -2.86 119.26 112.78 2dbh h ALA 62 Ca -0.51 -1.07 0.01 0.00 0.00 0.00 0.00 54.91 53.35 2dbh h ALA 62 Cb 1.34 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 2dbh h ALA 62 CO 0.53 0.84 0.50 1.49 0.00 0.00 0.00 179.25 182.60 2dbh h GLU 63 N -0.22 0.97 0.00 0.00 4.81 -1.99 -2.06 114.58 116.09 2dbh h GLU 63 Ca -0.30 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.74 2dbh h GLU 63 Cb 1.83 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 2dbh h GLU 63 CO 0.09 0.64 -0.63 0.22 -0.73 0.00 0.00 179.01 178.61 2dbh h ASP 64 N 1.00 0.00 -0.88 1.04 1.82 -1.97 -3.21 116.42 114.22 2dbh h ASP 64 Ca 0.28 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.96 2dbh h ASP 64 Cb -0.08 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 2dbh h ASP 64 CO -0.07 0.63 0.57 0.50 -1.61 0.00 0.00 179.24 179.25 2dbh h LYS 65 N 0.00 1.06 -0.27 0.28 3.64 -1.13 -1.59 116.57 118.56 2dbh h LYS 65 Ca -0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2dbh h LYS 65 Cb 1.24 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2dbh h LYS 65 CO 0.08 0.70 -0.08 1.25 -2.27 0.00 0.00 179.45 179.13 2dbh h LEU 66 N 1.09 0.41 -1.90 5.20 5.85 -1.50 -2.18 115.31 122.27 2dbh h LEU 66 Ca 0.36 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2dbh h LEU 66 Cb 0.03 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2dbh h LEU 66 CO -0.13 0.53 0.05 -0.78 -0.34 0.00 0.00 178.44 177.77 2dbh h ASP 67 N 0.40 0.10 0.73 1.25 3.58 -1.37 -1.86 116.42 119.26 2dbh h ASP 67 Ca 0.08 -0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.28 2dbh h ASP 67 Cb 0.40 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 2dbh h ASP 67 CO 0.02 0.08 -1.34 -0.09 -2.88 0.00 0.00 179.24 175.03 2dbh h ARG 68 N 0.11 0.03 -0.37 0.28 9.65 -1.30 -3.27 114.38 119.52 2dbh h ARG 68 Ca 0.03 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2dbh h ARG 68 Cb -0.00 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 2dbh h ARG 68 CO -0.01 0.81 0.25 1.25 2.80 0.00 0.00 179.97 185.08 2dbh h LEU 69 N 0.01 0.35 -0.01 3.80 5.85 -0.83 -1.44 115.31 123.03 2dbh h LEU 69 Ca -0.15 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.36 2dbh h LEU 69 Cb 1.89 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 2dbh h LEU 69 CO 0.11 0.24 -1.00 -0.26 -0.34 0.00 0.00 178.44 177.20 2dbh h PHE 70 N 0.41 0.00 -0.16 1.25 -1.00 -1.61 -2.53 116.94 113.30 2dbh h PHE 70 Ca 0.15 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 2dbh h PHE 70 Cb 0.10 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2dbh h PHE 70 CO -0.00 1.00 -0.02 0.93 -1.61 0.00 0.00 178.31 178.61 2dbh h GLU 71 N 0.00 0.24 0.00 1.51 5.08 -1.31 0.66 114.58 120.75 2dbh h GLU 71 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dbh h GLU 71 Cb 1.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2dbh h GLU 71 CO 0.13 0.28 -0.44 0.82 -1.00 0.00 0.00 179.01 178.80 2dbh h ILE 72 N 0.23 0.00 0.00 3.13 2.04 -1.54 -3.38 117.51 117.99 2dbh h ILE 72 Ca 0.05 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2dbh h ILE 72 Cb 0.20 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2dbh h ILE 72 CO 0.01 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.49 2dbh h ILE 73 N -0.98 0.57 -0.21 -0.67 2.04 -1.52 -2.28 117.51 114.47 2dbh h ILE 73 Ca 0.00 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2dbh h ILE 73 Cb 0.44 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2dbh h ILE 73 CO 0.00 0.06 0.23 1.23 0.00 0.00 0.00 178.15 179.68 2dbh h GLY 74 N 0.43 0.00 -4.10 5.37 0.00 0.16 -1.87 103.07 103.07 2dbh h GLY 74 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 2dbh h GLY 74 CO 0.01 0.00 -0.83 3.33 0.00 0.00 0.00 176.54 179.05 2dbh n VAL 75 N -3.79 2.36 0.00 4.60 0.24 -0.86 -3.40 118.33 117.48 2dbh n VAL 75 Ca 0.02 -4.29 0.00 0.00 -2.04 0.00 0.00 64.34 58.03 2dbh n VAL 75 Cb 0.36 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 2dbh n VAL 75 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2dbh n LYS 76 N -0.62 0.00 -3.52 7.34 5.02 -0.70 -5.08 118.16 120.59 2dbh n LYS 76 Ca 0.39 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.59 2dbh n LYS 76 Cb 0.87 -0.08 -0.03 0.00 -0.02 0.00 0.00 35.03 35.77 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dbh s SER 77 N -1.55 -0.38 0.61 4.39 0.15 -1.26 -5.02 113.70 110.65 2dbh s SER 77 Ca 0.00 0.14 0.33 0.00 0.70 0.00 0.00 55.95 57.13 2dbh s SER 77 Cb 0.00 0.37 1.94 0.00 -1.71 0.00 0.00 66.02 66.62 2dbh s SER 77 CO 0.00 -0.55 2.24 1.56 1.20 0.00 0.00 173.24 177.69 2dbh h GLN 78 N 2.20 0.00 -0.33 5.44 4.20 -1.97 0.18 115.11 124.83 2dbh h GLN 78 Ca -0.21 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 2dbh h GLN 78 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2dbh h GLN 78 CO 0.31 0.00 -0.20 1.49 -0.67 0.00 0.00 178.83 179.76 2dbh h GLU 79 N 0.00 0.72 0.17 1.46 4.81 -1.99 -0.80 114.58 118.96 2dbh h GLU 79 Ca 0.02 -0.33 -0.34 0.00 -0.13 0.00 0.00 59.36 58.57 2dbh h GLU 79 Cb 0.12 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2dbh h GLU 79 CO -0.00 0.94 -1.69 0.00 -0.73 0.00 0.00 179.01 177.53 2dbh h ALA 80 N 0.76 0.17 -0.09 2.92 0.00 -1.70 -3.19 119.26 118.14 2dbh h ALA 80 Ca 0.07 -1.12 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 2dbh h ALA 80 Cb 0.75 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2dbh h ALA 80 CO 0.06 1.04 0.03 1.03 0.00 0.00 0.00 179.25 181.40 2dbh h SER 81 N 0.10 0.12 -0.99 0.00 0.87 -0.75 0.69 113.55 113.60 2dbh h SER 81 Ca -0.32 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.07 2dbh h SER 81 Cb 2.09 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.96 2dbh h SER 81 CO 0.18 0.28 0.65 -0.61 -0.53 0.00 0.00 176.83 176.81 2dbh h GLN 82 N -0.04 1.27 -0.03 2.24 5.75 -1.30 -1.81 115.11 121.18 2dbh h GLN 82 Ca 0.03 -0.08 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 2dbh h GLN 82 Cb 0.20 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2dbh h GLN 82 CO -0.00 0.84 -0.61 1.15 -2.65 0.00 0.00 178.83 177.55 2dbh h THR 83 N 1.31 1.42 -0.07 2.39 2.02 -1.50 -1.79 112.91 116.69 2dbh h THR 83 Ca 0.37 -2.06 -0.02 0.00 0.77 0.00 0.00 66.41 65.47 2dbh h THR 83 Cb -0.09 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2dbh h THR 83 CO -0.10 0.60 -0.07 0.25 0.37 0.00 0.00 175.52 176.57 2dbh h LEU 84 N 0.08 0.09 0.02 2.58 5.85 0.01 0.47 115.31 124.40 2dbh h LEU 84 Ca -0.01 -0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.39 2dbh h LEU 84 Cb 1.10 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2dbh h LEU 84 CO 0.09 0.18 -1.82 0.18 -0.34 0.00 0.00 178.44 176.72 2dbh n LEU 85 N -4.40 1.09 0.08 2.25 4.77 -1.06 -3.96 117.00 115.78 2dbh n LEU 85 Ca -0.02 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.21 2dbh n LEU 85 Cb 0.18 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2dbh n LEU 85 CO 0.36 0.47 0.21 0.44 -1.33 0.00 0.00 177.39 177.54 2dbh h ASP 86 N 0.01 0.27 -0.28 -1.43 3.32 -0.98 -3.22 116.42 114.12 2dbh h ASP 86 Ca -0.33 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.45 2dbh h ASP 86 Cb 2.04 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.48 2dbh h ASP 86 CO 0.07 1.06 0.06 -1.28 -1.72 0.00 0.00 179.24 177.43 2dbh h SER 87 N 0.10 0.51 0.24 6.45 0.87 -0.23 0.85 113.55 122.34 2dbh h SER 87 Ca -0.05 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2dbh h SER 87 Cb 1.58 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 2dbh h SER 87 CO 0.14 0.54 -0.30 0.58 -0.53 0.00 0.00 176.83 177.26 2dbh h VAL 88 N 0.54 1.24 0.02 2.23 2.07 -1.68 -1.61 116.25 119.06 2dbh h VAL 88 Ca 0.12 -1.14 -0.34 0.00 0.82 0.00 0.00 66.70 66.16 2dbh h VAL 88 Cb 0.26 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2dbh h VAL 88 CO 0.00 0.33 -2.10 -1.22 0.02 0.00 0.00 177.57 174.60 2dbh n TYR 89 N -4.15 0.55 0.14 1.57 4.01 -0.84 -2.75 117.16 115.70 2dbh n TYR 89 Ca -0.02 0.17 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 2dbh n TYR 89 Cb 0.37 -1.09 0.33 0.00 -0.31 0.00 0.00 39.34 38.64 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 0.01 0.12 0.10 7.72 0.87 0.75 -3.20 113.55 119.93 2dbh h SER 90 Ca -0.44 -0.04 -0.35 0.00 -1.23 0.00 0.00 61.79 59.73 2dbh h SER 90 Cb 2.08 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.99 2dbh h SER 90 CO 0.04 0.45 -1.94 1.41 -0.53 0.00 0.00 176.83 176.25 2dbh n HIS 91 N -4.12 1.16 -3.59 2.24 8.25 -0.61 -4.71 115.22 113.85 2dbh n HIS 91 Ca -0.02 0.27 -0.40 0.00 -0.26 0.00 0.00 57.72 57.31 2dbh n HIS 91 Cb 0.40 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.28 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 -7.12 5.72 0.48 2.41 1.43 -1.11 -4.92 118.68 115.57 2dbh s LEU 92 Ca -0.24 -2.48 0.25 0.00 -1.03 0.00 0.00 54.13 50.63 2dbh s LEU 92 Cb 0.07 -1.98 1.20 0.00 0.03 0.00 0.00 46.19 45.50 2dbh s LEU 92 CO 0.74 -0.52 1.96 1.55 0.23 0.00 0.00 176.35 180.30 2dbh h PRO 93 N 7.69 0.00 -0.09 1.29 0.13 -1.84 -2.80 132.00 136.38 2dbh h PRO 93 Ca -0.06 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2dbh h PRO 93 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2dbh h PRO 93 CO 0.77 0.18 0.06 0.22 -0.23 0.00 0.00 178.00 179.00 2dbh h ASP 94 N 0.00 0.02 0.12 1.44 3.58 -1.89 -1.04 116.42 118.65 2dbh h ASP 94 Ca -0.00 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2dbh h ASP 94 Cb 0.53 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2dbh h ASP 94 CO 0.02 0.01 -0.42 -0.07 -2.88 0.00 0.00 179.24 175.91 2dbh h LEU 95 N 0.02 0.41 0.47 2.28 3.38 -1.84 -3.30 115.31 116.73 2dbh h LEU 95 Ca 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2dbh h LEU 95 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dbh h LEU 95 CO -0.00 0.78 -0.22 -0.07 0.09 0.00 0.00 178.44 179.01 2dbh h LEU 96 N 0.32 -0.53-10.43 1.67 4.07 -1.33 -3.45 115.31 105.62 2dbh h LEU 96 Ca 0.03 0.02 -0.50 0.00 0.08 0.00 0.00 57.88 57.51 2dbh h LEU 96 Cb 0.87 0.14 0.08 0.00 1.08 0.00 0.00 40.66 42.83 2dbh h LEU 96 CO 0.07 -0.25 0.40 -0.44 -1.08 0.00 0.00 178.44 177.14 2dbh s SER 97 N -3.91 5.41 0.00 -0.43 0.01 -1.07 -5.01 113.70 108.71 2dbh s SER 97 Ca -0.09 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2dbh s SER 97 Cb 0.01 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2dbh s SER 97 CO 0.27 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 173.16 2dbh n GLY 98 N -2.72 -1.25 3.49 3.44 0.00 -1.26 -4.81 105.19 102.07 2dbh n GLY 98 Ca 0.07 0.46 -0.45 0.00 0.00 0.00 0.00 46.02 46.09 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 0.98 -2.18 1.61 -0.02 -1.26 -4.87 135.00 129.25 2dbh n PRO 99 Ca 0.00 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 2dbh n PRO 99 Cb 0.00 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 2dbh n PRO 99 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dbh s SER 100 N 8.74 6.21 0.29 2.55 0.15 -1.26 -4.98 113.70 125.40 2dbh s SER 100 Ca 1.10 1.18 -0.28 0.00 0.70 0.00 0.00 55.95 58.65 2dbh s SER 100 Cb -0.72 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 60.96 2dbh s SER 100 CO 0.43 -1.47 0.95 -0.55 1.20 0.00 0.00 173.24 173.79 2dbh s SER 101 N 4.68 7.44 0.00 5.45 0.15 -1.26 -5.36 113.70 124.80 2dbh s SER 101 Ca 0.70 1.89 0.00 0.00 0.70 0.00 0.00 55.95 59.24 2dbh s SER 101 Cb -0.19 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2dbh s SER 101 CO 0.32 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.38