#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 7.43 0.03 1.61 0.01 -1.26 -5.05 113.70 116.47 2dbh s SER 2 Ca 0.00 1.98 0.07 0.00 1.31 0.00 0.00 55.95 59.31 2dbh s SER 2 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2dbh s SER 2 CO 0.00 -0.07 -0.19 -0.44 0.41 0.00 0.00 173.24 172.95 2dbh s SER 3 N -0.42 3.71 0.51 2.44 0.01 -1.26 -5.14 113.70 113.55 2dbh s SER 3 Ca 0.46 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.35 2dbh s SER 3 Cb -0.27 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.39 2dbh s SER 3 CO 0.33 0.27 0.30 -0.83 0.41 0.00 0.00 173.24 173.72 2dbh s GLY 4 N -1.30 2.47 -0.43 3.44 0.00 -1.26 -5.11 107.32 105.13 2dbh s GLY 4 Ca 0.14 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.62 2dbh s GLY 4 CO 0.04 -1.97 0.32 -1.35 0.00 0.00 0.00 173.10 170.14 2dbh s SER 5 N -4.14 2.35 0.11 1.64 1.04 -1.26 -5.12 113.70 108.33 2dbh s SER 5 Ca 0.31 -2.91 0.07 0.00 0.48 0.00 0.00 55.95 53.89 2dbh s SER 5 Cb -0.01 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 2dbh s SER 5 CO 0.18 -0.20 -0.06 -0.44 0.98 0.00 0.00 173.24 173.70 2dbh s SER 6 N 0.15 4.59 0.00 7.02 0.01 -1.26 -5.07 113.70 119.14 2dbh s SER 6 Ca 0.27 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2dbh s SER 6 Cb -0.06 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.23 2dbh s SER 6 CO -0.13 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2dbh n GLY 7 N 0.53 1.07 2.32 3.44 0.00 -1.26 -5.14 105.19 106.15 2dbh n GLY 7 Ca -0.12 -2.04 -0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -9.35 -4.35 1.61 2.88 -1.26 -4.96 113.62 98.19 2dbh n SER 8 Ca 0.00 1.82 -0.37 0.00 -1.33 0.00 0.00 58.87 58.99 2dbh n SER 8 Cb 0.00 -5.13 -0.13 0.00 -0.75 0.00 0.00 64.21 58.20 2dbh n SER 8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbh s SER 9 N -0.59 5.15 0.01 -3.46 0.15 -1.26 -4.95 113.70 108.77 2dbh s SER 9 Ca -0.00 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 55.95 2dbh s SER 9 Cb 0.00 -1.89 -0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2dbh s SER 9 CO 0.01 -0.19 -0.00 0.00 1.20 0.00 0.00 173.24 174.26 2dbh n ALA 10 N 4.87 2.94 -3.76 5.45 0.00 -1.26 -5.01 120.51 123.74 2dbh n ALA 10 Ca -0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 2dbh n ALA 10 Cb 0.48 0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 2dbh n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dbh s LEU 11 N -5.32 2.77 -0.59 0.00 2.01 -1.26 -4.90 118.68 111.39 2dbh s LEU 11 Ca -0.00 -2.18 -0.01 0.00 0.01 0.00 0.00 54.13 51.95 2dbh s LEU 11 Cb 0.00 -1.04 0.15 0.00 0.01 0.00 0.00 46.19 45.31 2dbh s LEU 11 CO 0.00 -0.34 0.38 -0.44 1.01 0.00 0.00 176.35 176.97 2dbh s SER 12 N 0.91 5.02 0.49 2.29 0.01 -1.26 -5.04 113.70 116.12 2dbh s SER 12 Ca 0.14 -2.85 0.00 0.00 1.31 0.00 0.00 55.95 54.55 2dbh s SER 12 Cb -0.21 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2dbh s SER 12 CO -0.11 -0.34 0.00 -1.14 0.41 0.00 0.00 173.24 172.06 2dbh n ARG 13 N 3.45 -3.16 -1.60 12.44 3.00 -1.26 -4.32 116.66 125.22 2dbh n ARG 13 Ca 0.07 2.36 -0.18 0.00 -0.00 0.00 0.00 57.85 60.10 2dbh n ARG 13 Cb 0.37 -3.77 -0.06 0.00 0.00 0.00 0.00 32.46 28.99 2dbh n ARG 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2dbh s ASN 14 N -7.27 4.04 0.00 6.15 -0.87 -1.26 -4.07 114.94 111.66 2dbh s ASN 14 Ca 0.00 0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.45 2dbh s ASN 14 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 2dbh s ASN 14 CO 0.00 -3.67 0.00 0.61 -2.57 0.00 0.00 177.10 171.47 2dbh n GLY 15 N 6.69 -0.11 3.11 0.66 0.00 -1.26 -5.05 105.19 109.23 2dbh n GLY 15 Ca 0.45 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 2dbh n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 16 N -2.35 5.25 0.06 1.61 0.15 -1.26 -4.80 113.70 112.36 2dbh s SER 16 Ca 0.00 -2.33 0.06 0.00 0.70 0.00 0.00 55.95 54.38 2dbh s SER 16 Cb 0.00 -1.84 -0.23 0.00 -1.71 0.00 0.00 66.02 62.24 2dbh s SER 16 CO 0.00 -0.48 1.05 -0.26 1.20 0.00 0.00 173.24 174.75 2dbh h PHE 17 N 7.69 0.11 -3.48 3.44 -1.00 -1.90 -3.45 116.94 118.34 2dbh h PHE 17 Ca -0.09 -0.08 -0.52 0.00 2.81 0.00 0.00 57.97 60.09 2dbh h PHE 17 Cb 1.01 -0.00 -0.33 0.00 3.61 0.00 0.00 35.95 40.24 2dbh h PHE 17 CO 0.61 1.08 -0.82 0.42 -1.61 0.00 0.00 178.31 178.00 2dbh s ILE 18 N -2.66 1.17 0.55 -0.55 1.01 -1.23 -4.99 121.20 114.49 2dbh s ILE 18 Ca -0.02 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 2dbh s ILE 18 Cb 0.09 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 2dbh s ILE 18 CO 0.83 0.36 0.96 -0.89 0.00 0.00 0.00 174.94 176.20 2dbh s THR 19 N 0.58 4.69 0.15 2.92 2.01 -1.26 -4.99 115.64 119.74 2dbh s THR 19 Ca -0.13 0.86 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 2dbh s THR 19 Cb -0.15 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.57 2dbh s THR 19 CO 0.04 -0.92 1.63 0.50 -0.69 0.00 0.00 174.62 175.18 2dbh h LYS 20 N 0.25 0.83 -0.12 4.92 3.64 -2.00 -2.61 116.57 121.48 2dbh h LYS 20 Ca -0.45 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 58.69 2dbh h LYS 20 Cb 1.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2dbh h LYS 20 CO 0.62 0.83 0.02 0.93 -2.27 0.00 0.00 179.45 179.58 2dbh h GLU 21 N 0.71 0.16 0.00 1.90 4.39 -2.00 -1.11 114.58 118.63 2dbh h GLU 21 Ca 0.15 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 2dbh h GLU 21 Cb 0.40 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2dbh h GLU 21 CO 0.01 0.16 -0.48 -0.22 -1.16 0.00 0.00 179.01 177.33 2dbh h LYS 22 N 0.16 0.00 0.13 2.33 3.64 -1.86 -2.74 116.57 118.23 2dbh h LYS 22 Ca 0.04 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.13 2dbh h LYS 22 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2dbh h LYS 22 CO -0.00 0.48 -1.38 0.87 -2.27 0.00 0.00 179.45 177.15 2dbh h LYS 23 N 0.00 0.27 -0.52 1.90 1.57 -1.06 -3.30 116.57 115.43 2dbh h LYS 23 Ca -0.00 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 2dbh h LYS 23 Cb 0.90 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2dbh h LYS 23 CO 0.06 1.18 0.15 0.22 -0.57 0.00 0.00 179.45 180.49 2dbh h ASP 24 N 0.07 0.77 -0.07 0.86 3.58 -1.21 -2.55 116.42 117.88 2dbh h ASP 24 Ca -0.19 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.06 2dbh h ASP 24 Cb 2.00 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 2dbh h ASP 24 CO 0.19 0.78 0.05 0.74 -2.88 0.00 0.00 179.24 178.12 2dbh h THR 25 N 0.72 0.97 0.29 2.25 2.02 -1.60 -1.30 112.91 116.26 2dbh h THR 25 Ca 0.17 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2dbh h THR 25 Cb 0.30 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2dbh h THR 25 CO -0.00 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.33 2dbh h VAL 26 N 0.01 0.00 -0.14 3.16 2.07 -1.53 -2.65 116.25 117.17 2dbh h VAL 26 Ca 0.03 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2dbh h VAL 26 Cb 0.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2dbh h VAL 26 CO -0.00 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.63 2dbh h LEU 27 N -0.43 0.00 -0.27 2.57 3.38 -1.51 -2.16 115.31 116.89 2dbh h LEU 27 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dbh h LEU 27 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2dbh h LEU 27 CO 0.07 0.00 0.14 -0.09 0.09 0.00 0.00 178.44 178.65 2dbh h ARG 28 N 0.00 0.29 -0.41 1.13 2.43 -1.15 0.80 114.38 117.47 2dbh h ARG 28 Ca 0.07 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2dbh h ARG 28 Cb 0.29 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2dbh h ARG 28 CO -0.00 0.19 -0.13 1.96 -1.51 0.00 0.00 179.97 180.48 2dbh h GLN 29 N 0.30 0.74 -0.13 0.20 4.20 -1.03 -2.27 115.11 117.12 2dbh h GLN 29 Ca 0.11 -0.25 -0.20 0.00 0.06 0.00 0.00 58.65 58.37 2dbh h GLN 29 Cb 0.02 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.75 2dbh h GLN 29 CO -0.07 0.84 -0.70 0.28 -0.67 0.00 0.00 178.83 178.51 2dbh h VAL 30 N 0.67 1.31 -0.46 -0.54 2.07 -1.22 -1.98 116.25 116.09 2dbh h VAL 30 Ca 0.11 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.70 2dbh h VAL 30 Cb 0.61 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 2dbh h VAL 30 CO 0.04 0.60 0.30 0.03 0.02 0.00 0.00 177.57 178.56 2dbh h ARG 31 N 0.39 0.58 -0.30 1.57 3.08 0.71 0.83 114.38 121.23 2dbh h ARG 31 Ca -0.05 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 2dbh h ARG 31 Cb 1.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2dbh h ARG 31 CO 0.14 0.39 -0.41 -0.07 -1.07 0.00 0.00 179.97 178.95 2dbh h LEU 32 N 0.60 0.79 -5.80 3.04 3.38 -1.46 -3.40 115.31 112.47 2dbh h LEU 32 Ca 0.17 -0.36 -0.35 0.00 0.09 0.00 0.00 57.88 57.43 2dbh h LEU 32 Cb -0.04 -0.22 -0.27 0.00 0.09 0.00 0.00 40.66 40.21 2dbh h LEU 32 CO -0.05 1.10 -0.71 -0.62 0.09 0.00 0.00 178.44 178.25 2dbh s ASP 33 N -6.86 0.08 0.89 -0.43 -1.08 -0.75 -5.11 116.67 103.42 2dbh s ASP 33 Ca -0.09 -2.18 -0.06 0.00 -0.52 0.00 0.00 52.55 49.69 2dbh s ASP 33 Cb 0.12 0.78 0.10 0.00 -1.46 0.00 0.00 42.92 42.46 2dbh s ASP 33 CO 0.85 -0.14 0.22 -2.65 0.52 0.00 0.00 175.17 173.98 2dbh n PRO 34 N 3.19 -1.62 0.01 4.34 -0.02 0.28 -4.45 135.00 136.73 2dbh n PRO 34 Ca 0.21 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2dbh n PRO 34 Cb 0.51 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 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 -1.17 -0.11 -0.27 0.00 2.15 -1.26 -5.07 116.67 110.94 2dbh s ASP 36 Ca 0.00 0.17 0.22 0.00 0.43 0.00 0.00 52.55 53.37 2dbh s ASP 36 Cb 0.00 0.16 0.49 0.00 -0.30 0.00 0.00 42.92 43.27 2dbh s ASP 36 CO 0.00 -0.06 1.18 0.18 -0.17 0.00 0.00 175.17 176.29 2dbh n LEU 37 N 1.17 1.11 -0.10 -1.34 4.77 -1.26 -4.93 117.00 116.41 2dbh n LEU 37 Ca -0.07 -3.03 -0.17 0.00 -0.03 0.00 0.00 56.01 52.72 2dbh n LEU 37 Cb 0.58 0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 2dbh n LEU 37 CO 0.05 1.12 -0.84 1.67 -1.33 0.00 0.00 177.39 178.06 2dbh n GLN 38 N -0.72 0.54 -0.28 3.23 0.00 -1.26 -4.25 117.38 114.65 2dbh n GLN 38 Ca 0.03 0.34 0.06 0.00 -0.00 0.00 0.00 57.00 57.43 2dbh n GLN 38 Cb 0.82 -1.55 0.20 0.00 0.00 0.00 0.00 30.24 29.71 2dbh n GLN 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2dbh h PRO 39 N -1.00 0.55 -0.03 3.69 0.11 -1.98 0.17 132.00 133.51 2dbh h PRO 39 Ca -0.28 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.80 2dbh h PRO 39 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2dbh h PRO 39 CO -0.17 0.36 0.03 0.82 -0.21 0.00 0.00 178.00 178.83 2dbh h ILE 40 N 0.56 0.64 0.00 4.15 2.04 -1.88 -1.80 117.51 121.22 2dbh h ILE 40 Ca 0.43 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 66.06 2dbh h ILE 40 Cb 0.60 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2dbh h ILE 40 CO -0.36 0.00 -1.23 -0.26 0.00 0.00 0.00 178.15 176.30 2dbh h PHE 41 N 0.00 0.00 -0.17 1.37 -1.00 -0.97 -3.12 116.94 113.05 2dbh h PHE 41 Ca 0.01 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.84 2dbh h PHE 41 Cb 0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 2dbh h PHE 41 CO 0.00 1.48 0.29 0.22 -1.61 0.00 0.00 178.31 178.68 2dbh h ASP 42 N -1.00 0.00 0.49 2.17 3.58 -0.63 1.12 116.42 122.15 2dbh h ASP 42 Ca -0.34 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.01 2dbh h ASP 42 Cb 1.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2dbh h ASP 42 CO -0.21 0.00 -1.60 -0.67 -2.88 0.00 0.00 179.24 173.88 2dbh n ASP 43 N -3.42 0.50 0.02 2.28 -0.08 -0.69 -4.24 116.55 110.92 2dbh n ASP 43 Ca 0.02 0.21 0.10 0.00 -1.51 0.00 0.00 54.79 53.60 2dbh n ASP 43 Cb 0.39 0.86 -0.13 0.00 2.34 0.00 0.00 41.12 44.59 2dbh n ASP 43 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2dbh n MET 44 N -2.64 0.65 0.04 -0.67 2.81 0.37 -4.25 117.12 113.43 2dbh n MET 44 Ca -0.09 -0.10 0.19 0.00 -1.81 0.00 0.00 57.70 55.89 2dbh n MET 44 Cb 0.73 -1.60 0.69 0.00 -0.71 0.00 0.00 33.22 32.33 2dbh n MET 44 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dbh h LEU 45 N 0.00 0.00 -0.92 4.03 3.38 0.97 0.13 115.31 122.91 2dbh h LEU 45 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2dbh h LEU 45 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2dbh h LEU 45 CO 0.00 0.00 -0.53 -0.74 0.09 0.00 0.00 178.44 177.26 2dbh h HIS 46 N 0.00 0.03 -0.01 1.13 2.76 -1.80 -2.97 115.15 114.29 2dbh h HIS 46 Ca 0.22 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.22 2dbh h HIS 46 Cb 0.89 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 2dbh h HIS 46 CO 0.00 0.55 -0.71 0.74 -1.30 0.00 0.00 177.93 177.21 2dbh h PHE 47 N 0.02 0.12 -4.34 5.26 -1.00 -0.99 -3.45 116.94 112.56 2dbh h PHE 47 Ca -0.00 -0.06 -0.50 0.00 2.81 0.00 0.00 57.97 60.22 2dbh h PHE 47 Cb 0.95 -0.02 0.10 0.00 3.61 0.00 0.00 35.95 40.59 2dbh h PHE 47 CO 0.00 0.77 0.36 -0.51 -1.61 0.00 0.00 178.31 177.33 2dbh s LEU 48 N -7.52 2.84 0.31 1.54 1.43 -1.04 -5.07 118.68 111.17 2dbh s LEU 48 Ca -0.02 1.38 0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2dbh s LEU 48 Cb 0.12 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 2dbh s LEU 48 CO 0.79 -1.64 0.46 0.20 0.23 0.00 0.00 176.35 176.38 2dbh s ASN 49 N -3.96 6.14 0.42 2.29 0.01 -1.26 -4.92 114.94 113.67 2dbh s ASN 49 Ca 0.59 0.06 0.17 0.00 -0.71 0.00 0.00 52.86 52.97 2dbh s ASN 49 Cb -0.14 -1.64 1.08 0.00 0.41 0.00 0.00 41.25 40.97 2dbh s ASN 49 CO 0.54 -0.29 1.86 -0.65 -1.51 0.00 0.00 177.10 177.05 2dbh h PRO 50 N 0.93 0.40 0.04 -0.60 0.11 -1.97 0.11 132.00 131.01 2dbh h PRO 50 Ca -0.49 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2dbh h PRO 50 Cb 1.24 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2dbh h PRO 50 CO 0.58 0.26 -0.31 1.49 -0.21 0.00 0.00 178.00 179.81 2dbh h GLU 51 N 0.41 0.14 -0.37 1.05 4.81 -2.00 -3.18 114.58 115.43 2dbh h GLU 51 Ca 0.46 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2dbh h GLU 51 Cb 1.13 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2dbh h GLU 51 CO -0.17 1.05 0.25 0.93 -0.73 0.00 0.00 179.01 180.34 2dbh h GLU 52 N -0.67 0.42 -0.05 1.92 5.08 -1.76 -1.09 114.58 118.42 2dbh h GLU 52 Ca -0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2dbh h GLU 52 Cb 1.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2dbh h GLU 52 CO 0.06 0.28 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.87 2dbh h LEU 53 N 0.43 0.10 -1.30 1.33 3.38 -0.90 -2.71 115.31 115.65 2dbh h LEU 53 Ca 0.15 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2dbh h LEU 53 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2dbh h LEU 53 CO -0.03 0.51 -0.32 -0.09 0.09 0.00 0.00 178.44 178.59 2dbh h ARG 54 N 0.09 0.04 -0.04 1.13 1.12 -1.17 0.59 114.38 116.14 2dbh h ARG 54 Ca 0.01 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.68 2dbh h ARG 54 Cb 0.76 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 2dbh h ARG 54 CO 0.06 0.36 -0.76 0.28 -3.11 0.00 0.00 179.97 176.80 2dbh h VAL 55 N 0.04 1.42 0.12 0.20 2.07 -1.39 -3.12 116.25 115.60 2dbh h VAL 55 Ca 0.00 -2.29 -0.29 0.00 0.82 0.00 0.00 66.70 64.94 2dbh h VAL 55 Cb 0.59 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2dbh h VAL 55 CO 0.04 0.68 -1.38 0.40 0.02 0.00 0.00 177.57 177.33 2dbh h ILE 56 N 0.18 1.33 -0.13 4.57 2.04 -1.38 -3.30 117.51 120.83 2dbh h ILE 56 Ca -0.03 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.89 2dbh h ILE 56 Cb 1.34 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.27 2dbh h ILE 56 CO 0.12 0.85 0.08 -0.33 0.00 0.00 0.00 178.15 178.88 2dbh h GLU 57 N 0.07 0.17 -0.37 2.37 5.08 -0.93 -1.50 114.58 119.47 2dbh h GLU 57 Ca -0.19 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2dbh h GLU 57 Cb 1.99 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 2dbh h GLU 57 CO 0.18 0.12 0.25 0.93 -1.00 0.00 0.00 179.01 179.49 2dbh h GLU 58 N 0.18 0.35 -6.42 2.33 5.08 -1.61 -3.39 114.58 111.09 2dbh h GLU 58 Ca 0.05 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.82 2dbh h GLU 58 Cb -0.01 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2dbh h GLU 58 CO -0.01 0.23 1.08 0.42 -1.00 0.00 0.00 179.01 179.73 2dbh s ILE 59 N -5.34 3.87 0.03 3.13 1.01 -0.57 -4.90 121.20 118.42 2dbh s ILE 59 Ca -0.07 0.92 -0.20 0.00 0.00 0.00 0.00 60.65 61.31 2dbh s ILE 59 Cb 0.18 -4.04 -0.18 0.00 0.01 0.00 0.00 42.46 38.43 2dbh s ILE 59 CO 0.72 -0.58 1.22 1.55 0.00 0.00 0.00 174.94 177.86 2dbh h PRO 60 N 10.67 0.42 -7.24 2.79 0.13 -1.86 -3.46 132.00 133.45 2dbh h PRO 60 Ca -0.29 -0.32 -0.53 0.00 -0.87 0.00 0.00 66.00 63.99 2dbh h PRO 60 Cb 1.12 0.06 0.18 0.00 0.13 0.00 0.00 31.00 32.49 2dbh h PRO 60 CO 1.05 0.95 0.29 -0.65 -0.23 0.00 0.00 178.00 179.42 2dbh s GLN 61 N -3.73 1.47 -0.15 0.86 -0.21 -1.26 -4.98 119.66 111.65 2dbh s GLN 61 Ca -0.14 1.61 -0.17 0.00 0.02 0.00 0.00 55.36 56.69 2dbh s GLN 61 Cb 0.05 -1.77 -0.24 0.00 1.00 0.00 0.00 33.01 32.05 2dbh s GLN 61 CO 0.79 -2.31 0.39 0.00 -2.12 0.00 0.00 175.29 172.04 2dbh h ALA 62 N -1.28 0.26 0.14 6.09 0.00 -1.99 -3.21 119.26 119.26 2dbh h ALA 62 Ca -0.45 -1.17 -0.01 0.00 0.00 0.00 0.00 54.91 53.29 2dbh h ALA 62 Cb 1.28 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2dbh h ALA 62 CO 0.45 0.83 -0.07 1.49 0.00 0.00 0.00 179.25 181.95 2dbh h GLU 63 N -0.56 -0.19 -0.09 0.00 4.81 -1.99 -2.29 114.58 114.28 2dbh h GLU 63 Ca -0.33 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2dbh h GLU 63 Cb 1.58 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2dbh h GLU 63 CO -0.05 -0.12 0.05 0.22 -0.73 0.00 0.00 179.01 178.37 2dbh h ASP 64 N -0.20 0.11 -0.43 1.04 3.58 -1.98 -2.31 116.42 116.23 2dbh h ASP 64 Ca -0.02 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.43 2dbh h ASP 64 Cb 0.15 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2dbh h ASP 64 CO 0.03 0.09 0.28 0.50 -2.88 0.00 0.00 179.24 177.26 2dbh h LYS 65 N 0.12 0.55 -0.36 0.28 3.64 -1.42 -2.06 116.57 117.33 2dbh h LYS 65 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2dbh h LYS 65 Cb 0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2dbh h LYS 65 CO -0.01 0.36 0.18 1.25 -2.27 0.00 0.00 179.45 178.97 2dbh h LEU 66 N 0.57 0.43 -1.04 5.20 5.85 -1.17 -1.89 115.31 123.27 2dbh h LEU 66 Ca 0.16 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2dbh h LEU 66 Cb -0.05 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2dbh h LEU 66 CO -0.04 0.36 0.65 -0.78 -0.34 0.00 0.00 178.44 178.29 2dbh h ASP 67 N 0.49 1.13 0.78 1.25 1.82 -1.28 -2.05 116.42 118.56 2dbh h ASP 67 Ca 0.13 -0.03 -0.17 0.00 -0.39 0.00 0.00 57.03 56.56 2dbh h ASP 67 Cb 0.04 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.74 2dbh h ASP 67 CO -0.02 0.82 -0.82 -0.09 -1.61 0.00 0.00 179.24 177.52 2dbh h ARG 68 N 1.33 0.02 -0.07 0.28 2.43 -1.20 -3.10 114.38 114.08 2dbh h ARG 68 Ca 0.36 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 2dbh h ARG 68 Cb -0.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2dbh h ARG 68 CO -0.08 0.83 -0.01 1.25 -1.51 0.00 0.00 179.97 180.45 2dbh h LEU 69 N 0.01 -0.05 -1.43 3.80 5.85 -0.66 -1.99 115.31 120.84 2dbh h LEU 69 Ca -0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2dbh h LEU 69 Cb 1.44 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2dbh h LEU 69 CO 0.11 -0.02 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.65 2dbh h PHE 70 N 0.01 0.00 -0.34 1.25 -1.00 -1.53 0.16 116.94 115.48 2dbh h PHE 70 Ca 0.03 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 2dbh h PHE 70 Cb 0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2dbh h PHE 70 CO -0.12 0.29 -0.10 1.49 -1.61 0.00 0.00 178.31 178.25 2dbh h GLU 71 N 0.00 0.58 0.00 1.51 4.22 -1.30 0.83 114.58 120.42 2dbh h GLU 71 Ca -0.00 -0.17 -0.20 0.00 0.08 0.00 0.00 59.36 59.07 2dbh h GLU 71 Cb 0.54 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2dbh h GLU 71 CO 0.04 0.68 -1.15 0.82 -2.18 0.00 0.00 179.01 177.21 2dbh h ILE 72 N 0.54 0.78 -0.34 2.32 2.04 -0.99 -3.34 117.51 118.52 2dbh h ILE 72 Ca 0.10 -2.00 -0.13 0.00 1.00 0.00 0.00 64.86 63.83 2dbh h ILE 72 Cb 0.49 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2dbh h ILE 72 CO 0.03 0.26 -0.31 0.40 0.00 0.00 0.00 178.15 178.53 2dbh h ILE 73 N -1.00 1.28 -0.05 -0.67 1.08 -0.78 -2.81 117.51 114.56 2dbh h ILE 73 Ca -0.30 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 62.74 2dbh h ILE 73 Cb 1.19 1.35 -0.00 0.00 -3.07 0.00 0.00 36.82 36.29 2dbh h ILE 73 CO -0.18 0.47 0.05 1.23 -0.69 0.00 0.00 178.15 179.03 2dbh h GLY 74 N 0.96 0.00 -2.11 5.37 0.00 0.55 -1.32 103.07 106.52 2dbh h GLY 74 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 2dbh h GLY 74 CO 0.07 0.00 -0.03 -0.62 0.00 0.00 0.00 176.54 175.96 2dbh n VAL 75 N -4.13 2.57 -0.01 4.60 0.31 -1.08 -3.08 118.33 117.50 2dbh n VAL 75 Ca -0.02 -2.60 -0.01 0.00 -0.01 0.00 0.00 64.34 61.70 2dbh n VAL 75 Cb 0.15 -0.32 -0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 -1.06 0.08 -3.20 5.55 4.81 -0.50 -5.03 118.16 118.81 2dbh n LYS 76 Ca 0.34 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.77 2dbh n LYS 76 Cb 1.06 -0.61 0.02 0.00 0.02 0.00 0.00 35.03 35.52 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dbh n SER 77 N -2.79 -1.41 0.09 3.14 2.88 -1.25 -5.03 113.62 109.24 2dbh n SER 77 Ca -0.02 -1.81 -0.01 0.00 -1.33 0.00 0.00 58.87 55.70 2dbh n SER 77 Cb 0.08 2.31 -0.04 0.00 -0.75 0.00 0.00 64.21 65.80 2dbh n SER 77 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2dbh h GLN 78 N 0.00 0.00 -0.00 -1.46 5.75 -1.96 -1.95 115.11 115.49 2dbh h GLN 78 Ca -0.22 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.11 2dbh h GLN 78 Cb 0.90 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 2dbh h GLN 78 CO 0.28 0.54 -0.78 1.05 -2.65 0.00 0.00 178.83 177.27 2dbh h GLU 79 N 0.00 0.07 0.01 1.69 4.11 -1.98 -2.45 114.58 116.04 2dbh h GLU 79 Ca -0.06 -0.07 -0.30 0.00 0.07 0.00 0.00 59.36 58.99 2dbh h GLU 79 Cb 1.54 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.77 2dbh h GLU 79 CO 0.07 0.82 -1.76 0.00 0.07 0.00 0.00 179.01 178.21 2dbh n ALA 80 N -2.42 1.46 -0.02 1.06 0.00 -1.24 -3.60 120.51 115.74 2dbh n ALA 80 Ca -0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 2dbh n ALA 80 Cb 0.75 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 19.30 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 0.08 -0.38 0.00 0.87 -1.40 -2.46 113.55 110.26 2dbh h SER 81 Ca -0.31 -0.48 0.01 0.00 -1.23 0.00 0.00 61.79 59.78 2dbh h SER 81 Cb 2.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.94 2dbh h SER 81 CO 0.08 0.54 0.24 -0.61 -0.53 0.00 0.00 176.83 176.55 2dbh h GLN 82 N -0.38 0.47 -0.54 2.24 5.75 -1.62 -1.83 115.11 119.20 2dbh h GLN 82 Ca 0.01 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2dbh h GLN 82 Cb 0.52 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2dbh h GLN 82 CO 0.01 0.31 0.36 1.15 -2.65 0.00 0.00 178.83 178.00 2dbh h THR 83 N 0.48 1.12 -0.01 2.39 2.02 -1.62 0.18 112.91 117.48 2dbh h THR 83 Ca 0.15 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 2dbh h THR 83 Cb -0.02 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2dbh h THR 83 CO -0.05 0.13 -0.52 0.25 0.37 0.00 0.00 175.52 175.69 2dbh h LEU 84 N 0.71 0.04 0.00 2.58 5.85 -0.89 0.11 115.31 123.70 2dbh h LEU 84 Ca 0.20 -0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.66 2dbh h LEU 84 Cb -0.05 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2dbh h LEU 84 CO -0.05 0.55 -1.30 -0.07 -0.34 0.00 0.00 178.44 177.24 2dbh h LEU 85 N 0.03 0.00 0.23 2.25 3.38 -0.46 -3.26 115.31 117.48 2dbh h LEU 85 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2dbh h LEU 85 Cb 0.94 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.72 2dbh h LEU 85 CO 0.07 0.97 -1.38 0.44 0.09 0.00 0.00 178.44 178.63 2dbh h ASP 86 N 0.00 0.82 -0.82 -0.43 5.19 -0.58 -3.29 116.42 117.31 2dbh h ASP 86 Ca -0.13 -0.91 0.01 0.00 -0.62 0.00 0.00 57.03 55.38 2dbh h ASP 86 Cb 1.85 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 41.06 2dbh h ASP 86 CO 0.10 1.67 0.54 -1.28 -3.12 0.00 0.00 179.24 177.16 2dbh h SER 87 N 0.11 0.93 0.20 6.45 0.87 -1.11 0.90 113.55 121.89 2dbh h SER 87 Ca -0.24 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2dbh h SER 87 Cb 2.09 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2dbh h SER 87 CO 0.26 0.66 -0.16 0.58 -0.53 0.00 0.00 176.83 177.65 2dbh h VAL 88 N 1.09 0.99 0.00 2.23 2.07 -1.64 0.45 116.25 121.45 2dbh h VAL 88 Ca 0.31 -0.56 -0.29 0.00 0.82 0.00 0.00 66.70 66.97 2dbh h VAL 88 Cb -0.09 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2dbh h VAL 88 CO -0.07 0.16 -2.15 -1.22 0.02 0.00 0.00 177.57 174.30 2dbh n TYR 89 N -4.18 0.24 0.10 1.57 4.01 -0.55 -3.03 117.16 115.33 2dbh n TYR 89 Ca -0.02 0.08 -0.05 0.00 -0.16 0.00 0.00 57.90 57.75 2dbh n TYR 89 Cb 0.23 -0.97 0.05 0.00 -0.31 0.00 0.00 39.34 38.34 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 0.06 0.31 7.72 0.87 0.10 -3.30 113.55 119.31 2dbh h SER 90 Ca -0.41 -0.05 -0.33 0.00 -1.23 0.00 0.00 61.79 59.78 2dbh h SER 90 Cb 1.99 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.90 2dbh h SER 90 CO 0.03 0.82 -1.87 1.41 -0.53 0.00 0.00 176.83 176.70 2dbh n HIS 91 N -3.65 1.10 -3.64 2.24 8.25 0.13 -4.66 115.22 114.99 2dbh n HIS 91 Ca -0.01 0.31 -0.38 0.00 -0.26 0.00 0.00 57.72 57.37 2dbh n HIS 91 Cb 0.75 -1.17 -0.08 0.00 1.12 0.00 0.00 29.99 30.61 2dbh n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dbh s LEU 92 N -6.53 5.54 0.40 2.41 1.43 -1.17 -4.91 118.68 115.85 2dbh s LEU 92 Ca -0.13 -2.91 0.19 0.00 -1.03 0.00 0.00 54.13 50.25 2dbh s LEU 92 Cb 0.07 -1.92 0.82 0.00 0.03 0.00 0.00 46.19 45.19 2dbh s LEU 92 CO 0.80 -0.39 1.81 1.55 0.23 0.00 0.00 176.35 180.35 2dbh h PRO 93 N 7.07 0.00 -0.81 1.29 0.13 -1.83 -3.05 132.00 134.81 2dbh h PRO 93 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2dbh h PRO 93 Cb 0.96 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 2dbh h PRO 93 CO 0.73 0.33 0.51 -0.44 -0.23 0.00 0.00 178.00 178.90 2dbh h ASP 94 N 0.00 0.95 -0.30 1.44 3.32 -1.91 -1.72 116.42 118.21 2dbh h ASP 94 Ca -0.00 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.04 2dbh h ASP 94 Cb 0.76 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2dbh h ASP 94 CO 0.04 0.71 0.20 -0.07 -1.72 0.00 0.00 179.24 178.41 2dbh h LEU 95 N 1.10 0.23-10.36 1.55 3.38 -1.90 -3.42 115.31 105.89 2dbh h LEU 95 Ca 0.29 -0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.77 2dbh h LEU 95 Cb -0.08 -0.05 0.13 0.00 0.09 0.00 0.00 40.66 40.75 2dbh h LEU 95 CO -0.06 0.16 0.29 -0.76 0.09 0.00 0.00 178.44 178.16 2dbh s LEU 96 N -9.23 2.51 0.00 1.67 1.43 -0.65 -4.95 118.68 109.46 2dbh s LEU 96 Ca -0.07 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2dbh s LEU 96 Cb 0.18 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2dbh s LEU 96 CO 0.71 -2.29 0.00 -1.20 0.23 0.00 0.00 176.35 173.80 2dbh n SER 97 N -3.66 0.00 -2.71 2.29 7.64 -1.26 -5.03 113.62 110.89 2dbh n SER 97 Ca 0.07 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.88 2dbh n SER 97 Cb 0.55 0.20 0.10 0.00 -1.01 0.00 0.00 64.21 64.04 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbh n GLY 98 N -1.41 0.59 3.74 0.23 0.00 -1.26 -5.14 105.19 101.94 2dbh n GLY 98 Ca 0.00 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.20 4.41 -0.23 1.61 0.04 -1.26 -5.02 135.00 134.74 2dbh s PRO 99 Ca 0.20 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.20 2dbh s PRO 99 Cb 0.31 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2dbh s PRO 99 CO -0.08 -0.23 0.05 -1.54 0.04 0.00 0.00 177.00 175.25 2dbh s SER 100 N 0.31 5.06 -0.06 6.66 1.04 -1.26 -5.09 113.70 120.37 2dbh s SER 100 Ca 0.56 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 2dbh s SER 100 Cb -0.36 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 63.88 2dbh s SER 100 CO 0.38 0.01 0.15 -0.55 0.98 0.00 0.00 173.24 174.20 2dbh s SER 101 N 1.37 -0.16 0.00 7.02 0.15 -1.26 -5.31 113.70 115.52 2dbh s SER 101 Ca 0.05 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2dbh s SER 101 Cb -0.15 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2dbh s SER 101 CO 0.03 -0.05 0.38 0.61 1.20 0.00 0.00 173.24 175.40