#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh n SER 2 N 0.00 0.05 -4.76 1.61 7.64 -1.26 -5.08 113.62 111.81 2dbh n SER 2 Ca 0.00 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2dbh n SER 2 Cb 0.00 -0.01 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2dbh n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dbh s SER 3 N -5.04 4.84 0.00 6.43 0.15 -1.26 -4.57 113.70 114.24 2dbh s SER 3 Ca 0.00 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2dbh s SER 3 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dbh s SER 3 CO 0.00 -1.81 0.00 0.61 1.20 0.00 0.00 173.24 173.24 2dbh n GLY 4 N -0.53 1.69 3.60 9.45 0.00 -1.26 -5.14 105.19 113.00 2dbh n GLY 4 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 2dbh n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbh n SER 5 N 0.00 2.00 -4.75 1.61 3.41 -1.26 -5.08 113.62 109.55 2dbh n SER 5 Ca 0.00 -2.44 -0.37 0.00 -0.26 0.00 0.00 58.87 55.80 2dbh n SER 5 Cb 0.00 -0.36 0.04 0.00 -0.26 0.00 0.00 64.21 63.63 2dbh n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbh s SER 6 N -4.29 5.15 -0.83 4.04 0.15 -1.26 -4.95 113.70 111.70 2dbh s SER 6 Ca 0.54 2.52 0.01 0.00 0.70 0.00 0.00 55.95 59.71 2dbh s SER 6 Cb -0.04 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 62.00 2dbh s SER 6 CO 0.34 -1.63 1.64 0.61 1.20 0.00 0.00 173.24 175.40 2dbh n GLY 7 N 0.65 5.87 1.82 9.45 0.00 -1.26 -4.98 105.19 116.74 2dbh n GLY 7 Ca 0.13 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.27 -8.27 -4.70 1.61 2.88 -1.26 -4.92 113.62 98.70 2dbh n SER 8 Ca 0.45 1.21 -0.34 0.00 -1.33 0.00 0.00 58.87 58.86 2dbh n SER 8 Cb 0.32 -4.53 0.12 0.00 -0.75 0.00 0.00 64.21 59.37 2dbh n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbh s SER 9 N -0.83 3.64 0.00 -3.46 0.01 -1.26 -4.92 113.70 106.88 2dbh s SER 9 Ca 0.00 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.64 2dbh s SER 9 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dbh s SER 9 CO 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 173.24 171.01 2dbh n ALA 10 N -3.23 0.82 -2.91 1.44 0.00 -1.26 -5.10 120.51 110.27 2dbh n ALA 10 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 2dbh n ALA 10 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 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 -4.42 3.64 0.15 0.00 1.02 -1.26 -4.73 118.68 113.08 2dbh s LEU 11 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2dbh s LEU 11 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.24 2dbh s LEU 11 CO 0.00 0.02 0.00 -1.20 0.02 0.00 0.00 176.35 175.19 2dbh n SER 12 N 4.58 -1.08 -0.00 2.29 7.64 -1.26 -5.06 113.62 120.72 2dbh n SER 12 Ca -0.16 0.29 -0.00 0.00 1.01 0.00 0.00 58.87 60.01 2dbh n SER 12 Cb 0.52 1.24 -0.00 0.00 -1.01 0.00 0.00 64.21 64.96 2dbh n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dbh n ARG 13 N -2.85 0.01 -3.28 1.43 1.74 -1.26 -5.06 116.66 107.38 2dbh n ARG 13 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2dbh n ARG 13 Cb 0.00 -0.36 -0.02 0.00 -1.02 0.00 0.00 32.46 31.06 2dbh n ARG 13 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2dbh s ASN 14 N -4.33 -1.31 0.00 0.55 3.84 -1.26 -5.08 114.94 107.35 2dbh s ASN 14 Ca -0.00 1.05 0.00 0.00 0.21 0.00 0.00 52.86 54.11 2dbh s ASN 14 Cb 0.00 2.19 0.00 0.00 -0.55 0.00 0.00 41.25 42.89 2dbh s ASN 14 CO 0.00 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 2dbh n GLY 15 N 5.43 -1.35 3.44 1.21 0.00 -1.26 -5.14 105.19 107.52 2dbh n GLY 15 Ca -0.04 0.60 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -0.54 0.00 1.61 0.15 -1.26 -4.67 113.70 108.98 2dbh s SER 16 Ca 0.00 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2dbh s SER 16 Cb 0.00 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2dbh s SER 16 CO 0.00 -0.34 0.00 0.49 1.20 0.00 0.00 173.24 174.59 2dbh n PHE 17 N 2.05 0.00 -4.84 3.44 3.01 -1.22 -5.06 117.46 114.83 2dbh n PHE 17 Ca -0.16 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.02 2dbh n PHE 17 Cb 0.56 0.11 -0.17 0.00 -0.01 0.00 0.00 39.48 39.98 2dbh n PHE 17 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2dbh s ILE 18 N -1.86 1.50 0.41 4.37 1.01 -1.17 -5.02 121.20 120.44 2dbh s ILE 18 Ca 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2dbh s ILE 18 Cb 0.00 -1.32 0.06 0.00 0.01 0.00 0.00 42.46 41.21 2dbh s ILE 18 CO 0.00 0.43 0.50 0.35 0.00 0.00 0.00 174.94 176.23 2dbh n THR 19 N 3.60 0.00 0.10 2.92 -2.24 -1.26 -4.88 114.28 112.52 2dbh n THR 19 Ca -0.21 -1.45 -0.14 0.00 -2.27 0.00 0.00 64.05 59.98 2dbh n THR 19 Cb 0.52 -0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.26 -0.10 -0.78 1.63 -2.00 -3.18 116.57 112.39 2dbh h LYS 20 Ca -0.21 -0.41 -0.04 0.00 -0.85 0.00 0.00 60.65 59.14 2dbh h LYS 20 Cb 0.91 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 2dbh h LYS 20 CO 0.31 1.17 -0.11 1.05 -3.45 0.00 0.00 179.45 178.42 2dbh h GLU 21 N 0.09 0.16 -0.17 1.90 4.11 -2.00 -1.51 114.58 117.15 2dbh h GLU 21 Ca -0.11 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.11 2dbh h GLU 21 Cb 1.87 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.10 2dbh h GLU 21 CO 0.19 0.28 -0.60 0.87 0.07 0.00 0.00 179.01 179.82 2dbh h LYS 22 N 0.15 0.72 -0.44 1.06 1.57 -1.97 -2.98 116.57 114.68 2dbh h LYS 22 Ca 0.03 -0.54 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 2dbh h LYS 22 Cb 0.30 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2dbh h LYS 22 CO 0.02 1.16 -0.14 0.87 -0.57 0.00 0.00 179.45 180.79 2dbh h LYS 23 N 0.42 0.82 -0.23 3.15 1.57 -1.46 -2.99 116.57 117.85 2dbh h LYS 23 Ca -0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2dbh h LYS 23 Cb 1.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2dbh h LYS 23 CO 0.13 0.91 0.15 0.22 -0.57 0.00 0.00 179.45 180.29 2dbh h ASP 24 N 0.73 0.26 -0.15 0.86 1.82 -1.30 -1.91 116.42 116.75 2dbh h ASP 24 Ca 0.12 -0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.78 2dbh h ASP 24 Cb 0.64 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2dbh h ASP 24 CO 0.04 0.19 0.10 0.74 -1.61 0.00 0.00 179.24 178.71 2dbh h THR 25 N 0.31 0.94 -0.09 2.25 2.02 -1.44 0.66 112.91 117.57 2dbh h THR 25 Ca 0.08 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2dbh h THR 25 Cb -0.03 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2dbh h THR 25 CO -0.02 0.01 -0.11 0.58 0.37 0.00 0.00 175.52 176.35 2dbh h VAL 26 N 0.03 1.37 0.01 3.16 2.07 -1.22 -3.03 116.25 118.64 2dbh h VAL 26 Ca 0.07 -1.30 -0.19 0.00 0.82 0.00 0.00 66.70 66.09 2dbh h VAL 26 Cb 0.23 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2dbh h VAL 26 CO -0.00 0.37 -0.90 -0.07 0.02 0.00 0.00 177.57 176.99 2dbh h LEU 27 N -0.20 0.09 -1.88 2.57 3.38 -0.85 -3.16 115.31 115.27 2dbh h LEU 27 Ca 0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2dbh h LEU 27 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2dbh h LEU 27 CO 0.03 0.94 0.12 -0.09 0.09 0.00 0.00 178.44 179.52 2dbh h ARG 28 N 0.03 0.16 0.04 1.13 2.43 0.28 0.26 114.38 118.72 2dbh h ARG 28 Ca -0.03 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.89 2dbh h ARG 28 Cb 1.56 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 2dbh h ARG 28 CO 0.12 0.11 -1.17 1.96 -1.51 0.00 0.00 179.97 179.48 2dbh h GLN 29 N 0.17 0.08 0.05 0.20 4.20 -1.52 -3.25 115.11 115.04 2dbh h GLN 29 Ca 0.07 -0.14 -0.27 0.00 0.06 0.00 0.00 58.65 58.37 2dbh h GLN 29 Cb 0.08 0.05 0.02 0.00 0.30 0.00 0.00 27.48 27.94 2dbh h GLN 29 CO -0.01 1.01 -1.11 0.28 -0.67 0.00 0.00 178.83 178.33 2dbh h VAL 30 N 0.02 1.32 -0.18 -0.54 2.07 -1.26 -2.92 116.25 114.77 2dbh h VAL 30 Ca -0.09 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.01 2dbh h VAL 30 Cb 1.86 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 34.16 2dbh h VAL 30 CO 0.14 0.74 0.11 0.03 0.02 0.00 0.00 177.57 178.61 2dbh h ARG 31 N 0.30 0.24 0.09 1.57 3.08 -0.63 -2.44 114.38 116.59 2dbh h ARG 31 Ca -0.14 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2dbh h ARG 31 Cb 1.77 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.77 2dbh h ARG 31 CO 0.21 0.17 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.17 2dbh h LEU 32 N 0.25 -0.10 -7.37 3.04 3.38 -1.59 -3.42 115.31 109.49 2dbh h LEU 32 Ca 0.07 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.39 2dbh h LEU 32 Cb -0.01 0.03 -0.40 0.00 0.09 0.00 0.00 40.66 40.37 2dbh h LEU 32 CO -0.01 0.11 -0.54 -1.81 0.09 0.00 0.00 178.44 176.28 2dbh s ASP 33 N -3.90 4.66 -0.18 -0.43 1.11 -1.10 -5.08 116.67 111.75 2dbh s ASP 33 Ca -0.02 -3.15 -0.36 0.00 0.18 0.00 0.00 52.55 49.20 2dbh s ASP 33 Cb 0.00 -1.70 -0.13 0.00 1.07 0.00 0.00 42.92 42.16 2dbh s ASP 33 CO 0.05 -0.23 1.87 -2.65 1.18 0.00 0.00 175.17 175.39 2dbh n PRO 34 N 2.97 1.74 0.00 8.23 -0.02 -0.92 -4.67 135.00 142.33 2dbh n PRO 34 Ca 0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2dbh n PRO 34 Cb 0.34 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2dbh n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dbh s ASP 36 N -2.14 -0.06 0.00 0.00 2.15 -1.26 -5.06 116.67 110.30 2dbh s ASP 36 Ca 0.00 -0.03 0.09 0.00 0.43 0.00 0.00 52.55 53.03 2dbh s ASP 36 Cb 0.00 0.09 0.14 0.00 -0.30 0.00 0.00 42.92 42.85 2dbh s ASP 36 CO 0.00 -0.15 0.98 0.18 -0.17 0.00 0.00 175.17 176.01 2dbh n LEU 37 N -0.23 0.18 -0.10 -1.34 4.77 -1.26 -4.92 117.00 114.11 2dbh n LEU 37 Ca -0.02 -1.48 -0.18 0.00 -0.03 0.00 0.00 56.01 54.29 2dbh n LEU 37 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2dbh n LEU 37 CO 0.10 0.64 -0.45 -0.61 -1.33 0.00 0.00 177.39 175.74 2dbh h GLN 38 N 0.33 0.00 -0.63 3.23 5.75 -1.99 -3.32 115.11 118.48 2dbh h GLN 38 Ca -0.16 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.52 2dbh h GLN 38 Cb 1.50 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.03 2dbh h GLN 38 CO -0.01 0.83 0.54 -1.35 -2.65 0.00 0.00 178.83 176.18 2dbh h PRO 39 N -1.00 0.00 0.00 -2.39 0.11 -1.98 0.39 132.00 127.13 2dbh h PRO 39 Ca -0.27 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 2dbh h PRO 39 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2dbh h PRO 39 CO -0.17 0.00 -0.89 0.82 -0.21 0.00 0.00 178.00 177.55 2dbh h ILE 40 N 0.00 1.60 0.05 4.15 2.04 -1.87 -3.11 117.51 120.38 2dbh h ILE 40 Ca 0.30 -3.11 -0.23 0.00 1.00 0.00 0.00 64.86 62.82 2dbh h ILE 40 Cb 1.37 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 40.13 2dbh h ILE 40 CO -0.00 0.88 -1.21 -0.26 0.00 0.00 0.00 178.15 177.55 2dbh h PHE 41 N 0.00 0.20 -0.02 1.37 0.04 -0.58 -2.51 116.94 115.45 2dbh h PHE 41 Ca -0.01 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.62 2dbh h PHE 41 Cb 1.62 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.77 2dbh h PHE 41 CO 0.00 1.48 0.06 -0.44 -0.60 0.00 0.00 178.31 178.80 2dbh h ASP 42 N -0.65 0.00 0.02 2.17 3.32 -0.56 0.96 116.42 121.67 2dbh h ASP 42 Ca -0.29 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.42 2dbh h ASP 42 Cb 1.49 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.98 2dbh h ASP 42 CO -0.06 0.00 -2.33 -0.67 -1.72 0.00 0.00 179.24 174.46 2dbh n ASP 43 N -3.28 0.02 0.09 6.45 2.03 -1.17 -4.36 116.55 116.33 2dbh n ASP 43 Ca -0.02 0.01 0.12 0.00 0.52 0.00 0.00 54.79 55.41 2dbh n ASP 43 Cb 0.13 1.07 0.04 0.00 -0.72 0.00 0.00 41.12 41.64 2dbh n ASP 43 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2dbh h MET 44 N 0.00 0.00 -0.71 -0.67 2.86 -0.86 -3.35 114.93 112.20 2dbh h MET 44 Ca -0.49 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.36 2dbh h MET 44 Cb 2.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.75 2dbh h MET 44 CO 0.03 0.00 0.51 -0.07 1.06 0.00 0.00 176.91 178.44 2dbh h LEU 45 N 0.00 0.00 -1.20 1.22 3.38 0.72 0.31 115.31 119.73 2dbh h LEU 45 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2dbh h LEU 45 Cb 0.93 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2dbh h LEU 45 CO 0.00 0.00 -0.37 -0.74 0.09 0.00 0.00 178.44 177.42 2dbh h HIS 46 N 0.00 0.06 0.16 1.13 2.76 -1.82 -2.98 115.15 114.47 2dbh h HIS 46 Ca 0.34 -0.01 -0.29 0.00 -2.20 0.00 0.00 60.37 58.20 2dbh h HIS 46 Cb 1.36 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 30.32 2dbh h HIS 46 CO -0.00 0.42 -1.30 0.74 -1.30 0.00 0.00 177.93 176.49 2dbh h PHE 47 N 0.05 0.73 -4.31 5.26 -1.00 -0.65 -3.46 116.94 113.55 2dbh h PHE 47 Ca 0.00 -0.51 -0.51 0.00 2.81 0.00 0.00 57.97 59.77 2dbh h PHE 47 Cb 0.67 -0.04 0.11 0.00 3.61 0.00 0.00 35.95 40.30 2dbh h PHE 47 CO 0.00 1.39 0.35 -0.51 -1.61 0.00 0.00 178.31 177.93 2dbh s LEU 48 N -7.43 2.95 0.35 1.54 1.43 -0.87 -5.08 118.68 111.58 2dbh s LEU 48 Ca -0.06 1.57 0.09 0.00 -1.03 0.00 0.00 54.13 54.69 2dbh s LEU 48 Cb 0.06 -4.34 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 2dbh s LEU 48 CO 0.91 -1.70 0.01 0.20 0.23 0.00 0.00 176.35 175.99 2dbh s ASN 49 N -3.75 4.09 0.35 2.29 -0.87 -1.26 -4.94 114.94 110.86 2dbh s ASN 49 Ca 0.59 -1.07 0.10 0.00 -1.57 0.00 0.00 52.86 50.91 2dbh s ASN 49 Cb -0.15 -0.48 0.84 0.00 -0.02 0.00 0.00 41.25 41.44 2dbh s ASN 49 CO 0.55 -0.28 1.83 -0.65 -2.57 0.00 0.00 177.10 175.98 2dbh h PRO 50 N 1.81 0.65 -0.27 -0.60 0.11 -1.98 0.11 132.00 131.83 2dbh h PRO 50 Ca -0.43 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 2dbh h PRO 50 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dbh h PRO 50 CO 0.69 0.43 -0.44 0.93 -0.21 0.00 0.00 178.00 179.40 2dbh h GLU 51 N 0.67 0.78 -0.26 1.05 4.39 -2.01 -2.92 114.58 116.27 2dbh h GLU 51 Ca 0.51 -0.47 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2dbh h GLU 51 Cb 0.89 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2dbh h GLU 51 CO -0.26 1.10 -0.29 0.93 -1.16 0.00 0.00 179.01 179.33 2dbh h GLU 52 N 0.52 0.53 0.00 2.33 5.08 -1.61 -2.74 114.58 118.69 2dbh h GLU 52 Ca 0.02 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2dbh h GLU 52 Cb 1.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2dbh h GLU 52 CO 0.10 0.77 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.55 2dbh h LEU 53 N 0.46 0.00 -1.27 1.33 3.38 -0.79 -2.63 115.31 115.79 2dbh h LEU 53 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dbh h LEU 53 Cb 0.74 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2dbh h LEU 53 CO 0.06 0.26 0.51 -0.09 0.09 0.00 0.00 178.44 179.26 2dbh h ARG 54 N 0.00 0.93 -0.02 1.13 2.43 -1.29 0.84 114.38 118.41 2dbh h ARG 54 Ca -0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2dbh h ARG 54 Cb 0.47 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2dbh h ARG 54 CO 0.03 0.62 -0.62 0.28 -1.51 0.00 0.00 179.97 178.78 2dbh h VAL 55 N 0.96 1.43 0.02 0.20 2.07 -1.56 -3.15 116.25 116.22 2dbh h VAL 55 Ca 0.30 -2.08 -0.27 0.00 0.82 0.00 0.00 66.70 65.47 2dbh h VAL 55 Cb 0.02 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 2dbh h VAL 55 CO -0.08 0.60 -1.48 0.40 0.02 0.00 0.00 177.57 177.03 2dbh h ILE 56 N 0.05 1.15 -0.31 4.57 2.04 -1.25 -3.33 117.51 120.42 2dbh h ILE 56 Ca -0.01 -2.93 0.00 0.00 1.00 0.00 0.00 64.86 62.93 2dbh h ILE 56 Cb 1.10 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.76 2dbh h ILE 56 CO 0.08 0.69 0.20 -0.33 0.00 0.00 0.00 178.15 178.80 2dbh h GLU 57 N 0.01 0.41 -0.19 2.37 5.08 0.69 -1.38 114.58 121.58 2dbh h GLU 57 Ca -0.20 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2dbh h GLU 57 Cb 1.94 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 2dbh h GLU 57 CO 0.11 0.27 0.05 0.93 -1.00 0.00 0.00 179.01 179.36 2dbh h GLU 58 N 0.42 0.26 -6.50 2.33 5.08 -1.66 -3.40 114.58 111.11 2dbh h GLU 58 Ca 0.11 -0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.88 2dbh h GLU 58 Cb -0.04 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2dbh h GLU 58 CO -0.02 0.25 1.02 0.42 -1.00 0.00 0.00 179.01 179.68 2dbh s ILE 59 N -5.09 4.01 0.04 3.13 1.01 -0.52 -4.91 121.20 118.87 2dbh s ILE 59 Ca -0.06 1.07 -0.19 0.00 0.00 0.00 0.00 60.65 61.47 2dbh s ILE 59 Cb 0.17 -4.24 -0.17 0.00 0.01 0.00 0.00 42.46 38.22 2dbh s ILE 59 CO 0.71 -0.71 1.24 1.55 0.00 0.00 0.00 174.94 177.73 2dbh h PRO 60 N 10.10 0.48 -7.19 2.79 0.13 -1.85 -3.46 132.00 133.01 2dbh h PRO 60 Ca -0.27 -0.37 -0.51 0.00 -0.87 0.00 0.00 66.00 63.99 2dbh h PRO 60 Cb 1.10 0.07 0.09 0.00 0.13 0.00 0.00 31.00 32.39 2dbh h PRO 60 CO 1.08 1.00 0.38 -0.65 -0.23 0.00 0.00 178.00 179.57 2dbh s GLN 61 N -3.75 2.92 -0.04 0.86 -0.21 -1.26 -4.98 119.66 113.20 2dbh s GLN 61 Ca -0.13 1.39 -0.06 0.00 0.02 0.00 0.00 55.36 56.58 2dbh s GLN 61 Cb 0.05 -1.97 -0.28 0.00 1.00 0.00 0.00 33.01 31.81 2dbh s GLN 61 CO 0.81 -1.16 0.70 0.00 -2.12 0.00 0.00 175.29 173.52 2dbh h ALA 62 N 0.19 0.28 -0.50 6.09 0.00 -2.00 -3.04 119.26 120.28 2dbh h ALA 62 Ca -0.47 -1.18 0.02 0.00 0.00 0.00 0.00 54.91 53.28 2dbh h ALA 62 Cb 1.24 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 2dbh h ALA 62 CO 0.55 1.14 0.33 1.49 0.00 0.00 0.00 179.25 182.76 2dbh h GLU 63 N 0.08 0.59 0.00 0.00 4.81 -1.99 -1.75 114.58 116.32 2dbh h GLU 63 Ca -0.31 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.69 2dbh h GLU 63 Cb 2.05 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 2dbh h GLU 63 CO 0.15 0.39 -1.06 -0.44 -0.73 0.00 0.00 179.01 177.32 2dbh h ASP 64 N 0.60 0.00 -0.76 1.04 5.19 -1.98 -3.33 116.42 117.19 2dbh h ASP 64 Ca 0.19 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 2dbh h ASP 64 Cb 0.03 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.49 2dbh h ASP 64 CO -0.05 0.84 0.48 0.11 -3.12 0.00 0.00 179.24 177.50 2dbh h LYS 65 N 0.00 0.90 -0.57 3.56 1.57 -1.20 -1.87 116.57 118.96 2dbh h LYS 65 Ca -0.07 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2dbh h LYS 65 Cb 1.71 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.79 2dbh h LYS 65 CO 0.10 0.59 0.22 1.25 -0.57 0.00 0.00 179.45 181.04 2dbh h LEU 66 N 0.92 0.75 -1.90 2.94 5.85 -1.61 -1.19 115.31 121.08 2dbh h LEU 66 Ca 0.31 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2dbh h LEU 66 Cb 0.04 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2dbh h LEU 66 CO -0.12 0.68 0.06 -0.78 -0.34 0.00 0.00 178.44 177.94 2dbh h ASP 67 N 0.82 0.11 0.51 1.25 3.58 -1.46 -2.16 116.42 119.06 2dbh h ASP 67 Ca 0.19 -0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.35 2dbh h ASP 67 Cb 0.17 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2dbh h ASP 67 CO -0.02 0.09 -1.54 -0.09 -2.88 0.00 0.00 179.24 174.80 2dbh h ARG 68 N 0.13 0.15 -0.10 0.28 9.65 -1.18 -3.14 114.38 120.18 2dbh h ARG 68 Ca 0.03 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 2dbh h ARG 68 Cb -0.01 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2dbh h ARG 68 CO -0.01 0.95 0.07 1.25 2.80 0.00 0.00 179.97 185.03 2dbh h LEU 69 N 0.04 0.08 0.00 3.80 5.85 -0.61 -1.50 115.31 122.96 2dbh h LEU 69 Ca -0.24 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.30 2dbh h LEU 69 Cb 1.98 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.96 2dbh h LEU 69 CO 0.13 0.06 -1.25 -0.26 -0.34 0.00 0.00 178.44 176.78 2dbh h PHE 70 N 0.09 0.00 -0.53 1.25 -1.00 -1.57 -3.08 116.94 112.11 2dbh h PHE 70 Ca 0.04 0.00 -0.09 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 -0.00 0.69 -0.00 1.49 -1.61 0.00 0.00 178.31 178.88 2dbh h GLU 71 N 0.00 0.94 0.08 1.51 4.22 -1.24 0.83 114.58 120.93 2dbh h GLU 71 Ca -0.14 -0.30 -0.00 0.00 0.08 0.00 0.00 59.36 59.00 2dbh h GLU 71 Cb 1.65 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2dbh h GLU 71 CO 0.07 0.96 -0.04 0.82 -2.18 0.00 0.00 179.01 178.63 2dbh h ILE 72 N 0.81 0.94 0.00 2.32 2.04 -1.55 -3.32 117.51 118.75 2dbh h ILE 72 Ca 0.15 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 2dbh h ILE 72 Cb 0.53 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2dbh h ILE 72 CO 0.03 0.28 -0.29 0.40 0.00 0.00 0.00 178.15 178.57 2dbh h ILE 73 N -0.92 0.87 -0.18 -0.67 2.04 -1.61 -2.87 117.51 114.16 2dbh h ILE 73 Ca -0.01 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.77 2dbh h ILE 73 Cb 0.55 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2dbh h ILE 73 CO 0.02 0.28 0.20 1.23 0.00 0.00 0.00 178.15 179.88 2dbh h GLY 74 N 1.45 0.00 -3.47 5.37 0.00 0.62 -1.70 103.07 105.34 2dbh h GLY 74 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2dbh h GLY 74 CO 0.04 0.00 -0.79 3.33 0.00 0.00 0.00 176.54 179.12 2dbh n VAL 75 N -3.79 2.44 -0.00 4.60 0.24 -1.08 -3.03 118.33 117.70 2dbh n VAL 75 Ca 0.02 -4.04 -0.00 0.00 -2.04 0.00 0.00 64.34 58.27 2dbh n VAL 75 Cb 0.32 -0.94 -0.00 0.00 -1.47 0.00 0.00 33.84 31.76 2dbh n VAL 75 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dbh n LYS 76 N -0.75 0.02 -3.61 7.34 4.81 -0.64 -5.08 118.16 120.25 2dbh n LYS 76 Ca 0.39 0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.83 2dbh n LYS 76 Cb 0.93 -0.33 -0.01 0.00 0.02 0.00 0.00 35.03 35.64 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 -4.52 -0.06 0.45 3.14 0.15 -1.26 -5.02 113.70 106.59 2dbh s SER 77 Ca -0.01 -0.03 0.15 0.00 0.70 0.00 0.00 55.95 56.77 2dbh s SER 77 Cb 0.00 0.08 1.02 0.00 -1.71 0.00 0.00 66.02 65.41 2dbh s SER 77 CO 0.01 -0.14 1.98 -0.61 1.20 0.00 0.00 173.24 175.69 2dbh h GLN 78 N 2.00 0.00 -0.02 5.44 4.15 -1.96 0.65 115.11 125.37 2dbh h GLN 78 Ca -0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 2dbh h GLN 78 Cb 1.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2dbh h GLN 78 CO 0.24 0.19 -0.07 0.93 -1.93 0.00 0.00 178.83 178.19 2dbh h GLU 79 N 0.00 0.03 0.00 1.69 5.08 -1.99 -0.42 114.58 118.97 2dbh h GLU 79 Ca -0.00 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2dbh h GLU 79 Cb 0.35 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2dbh h GLU 79 CO 0.03 0.10 -2.14 0.00 -1.00 0.00 0.00 179.01 175.99 2dbh n ALA 80 N -2.52 1.61 0.01 3.43 0.00 -0.80 -4.07 120.51 118.16 2dbh n ALA 80 Ca -0.03 -0.84 0.06 0.00 0.00 0.00 0.00 53.44 52.64 2dbh n ALA 80 Cb 0.16 0.13 0.46 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.36 0.40 -0.01 0.00 0.87 0.24 -0.18 113.55 114.52 2dbh h SER 81 Ca -0.48 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2dbh h SER 81 Cb 1.58 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2dbh h SER 81 CO -0.19 0.28 -0.03 -0.61 -0.53 0.00 0.00 176.83 175.75 2dbh h GLN 82 N 0.47 0.03 -0.89 2.24 5.75 -1.25 -2.75 115.11 118.72 2dbh h GLN 82 Ca 0.16 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2dbh h GLN 82 Cb 0.07 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 2dbh h GLN 82 CO -0.04 0.65 0.59 1.15 -2.65 0.00 0.00 178.83 178.53 2dbh h THR 83 N -0.58 1.23 0.68 2.39 2.02 -1.62 -1.20 112.91 115.82 2dbh h THR 83 Ca -0.00 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 2dbh h THR 83 Cb 0.66 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2dbh h THR 83 CO 0.01 0.22 -0.35 0.25 0.37 0.00 0.00 175.52 176.01 2dbh h LEU 84 N 1.20 -0.85 -2.09 2.58 5.85 -1.09 0.85 115.31 121.76 2dbh h LEU 84 Ca 0.32 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.11 2dbh h LEU 84 Cb -0.14 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2dbh h LEU 84 CO -0.07 -0.58 0.08 -0.07 -0.34 0.00 0.00 178.44 177.46 2dbh h LEU 85 N -0.95 0.00 0.19 2.25 3.38 -1.36 -1.94 115.31 116.88 2dbh h LEU 85 Ca -0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.56 2dbh h LEU 85 Cb 0.74 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.51 2dbh h LEU 85 CO 0.13 0.00 -1.50 -0.78 0.09 0.00 0.00 178.44 176.38 2dbh h ASP 86 N 0.00 0.63 -0.19 -0.43 1.82 -0.75 -3.30 116.42 114.19 2dbh h ASP 86 Ca 0.05 -0.75 0.06 0.00 -0.39 0.00 0.00 57.03 56.00 2dbh h ASP 86 Cb 0.21 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2dbh h ASP 86 CO -0.00 1.60 0.14 -1.28 -1.61 0.00 0.00 179.24 178.09 2dbh h SER 87 N 0.11 0.00 0.70 2.28 0.87 0.15 0.43 113.55 118.10 2dbh h SER 87 Ca -0.25 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 2dbh h SER 87 Cb 2.09 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 64.05 2dbh h SER 87 CO 0.22 0.00 -0.34 0.58 -0.53 0.00 0.00 176.83 176.76 2dbh h VAL 88 N 0.00 0.31 0.00 2.23 2.07 -1.56 0.18 116.25 119.49 2dbh h VAL 88 Ca 0.09 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.42 2dbh h VAL 88 Cb 0.36 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2dbh h VAL 88 CO -0.00 0.00 -0.89 1.88 0.02 0.00 0.00 177.57 178.58 2dbh h TYR 89 N -0.95 0.04 -0.06 1.57 0.05 -1.63 -0.80 116.97 115.20 2dbh h TYR 89 Ca -0.10 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 2dbh h TYR 89 Cb 0.73 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 2dbh h TYR 89 CO -0.02 0.90 -0.26 1.03 -1.05 0.00 0.00 178.16 178.75 2dbh h SER 90 N 0.01 0.10 0.06 3.88 0.87 -0.09 -3.07 113.55 115.32 2dbh h SER 90 Ca -0.02 -0.03 -0.35 0.00 -1.23 0.00 0.00 61.79 60.17 2dbh h SER 90 Cb 1.56 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 2dbh h SER 90 CO 0.12 0.37 -1.97 1.41 -0.53 0.00 0.00 176.83 176.22 2dbh n HIS 91 N -4.19 0.85 -3.74 2.24 8.25 0.05 -4.72 115.22 113.96 2dbh n HIS 91 Ca -0.02 0.23 -0.35 0.00 -0.26 0.00 0.00 57.72 57.33 2dbh n HIS 91 Cb 0.34 -1.10 -0.10 0.00 1.12 0.00 0.00 29.99 30.25 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 -7.19 5.16 0.42 2.41 1.43 -0.31 -4.91 118.68 115.69 2dbh s LEU 92 Ca -0.28 -3.13 0.20 0.00 -1.03 0.00 0.00 54.13 49.89 2dbh s LEU 92 Cb 0.08 -1.82 0.92 0.00 0.03 0.00 0.00 46.19 45.39 2dbh s LEU 92 CO 0.67 -0.29 1.85 1.55 0.23 0.00 0.00 176.35 180.36 2dbh h PRO 93 N 6.63 0.00 0.00 1.29 0.13 -1.80 -2.83 132.00 135.42 2dbh h PRO 93 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2dbh h PRO 93 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2dbh h PRO 93 CO 0.74 0.29 -0.08 0.22 -0.23 0.00 0.00 178.00 178.93 2dbh h ASP 94 N 0.00 0.00 -0.68 1.44 3.58 -1.91 -2.29 116.42 116.57 2dbh h ASP 94 Ca -0.00 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.51 2dbh h ASP 94 Cb 0.68 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 2dbh h ASP 94 CO 0.04 0.08 0.45 -0.07 -2.88 0.00 0.00 179.24 176.86 2dbh h LEU 95 N 0.00 0.60 -7.00 2.28 3.38 -1.88 -3.45 115.31 109.24 2dbh h LEU 95 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.07 2dbh h LEU 95 Cb 0.21 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 40.66 2dbh h LEU 95 CO 0.01 0.39 0.50 -0.22 0.09 0.00 0.00 178.44 179.21 2dbh s LEU 96 N -9.63 -0.38 -0.43 1.67 0.20 -0.86 -5.04 118.68 104.21 2dbh s LEU 96 Ca -0.09 0.16 0.04 0.00 0.69 0.00 0.00 54.13 54.93 2dbh s LEU 96 Cb 0.19 2.00 0.56 0.00 -0.43 0.00 0.00 46.19 48.51 2dbh s LEU 96 CO 0.76 -0.53 1.74 -1.20 -0.29 0.00 0.00 176.35 176.84 2dbh n SER 97 N 0.11 4.21 0.00 3.68 7.64 -1.26 -4.77 113.62 123.22 2dbh n SER 97 Ca -0.10 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.07 2dbh n SER 97 Cb 0.60 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.06 3.81 3.26 0.23 0.00 -1.26 -5.14 105.19 105.02 2dbh n GLY 98 Ca 0.51 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.31 -3.06 1.61 -0.02 -1.26 -4.97 135.00 124.98 2dbh n PRO 99 Ca 0.00 -0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 60.47 2dbh n PRO 99 Cb 0.00 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2dbh n PRO 99 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dbh s SER 100 N -2.10 6.93 -0.41 2.55 0.01 -1.26 -4.98 113.70 114.44 2dbh s SER 100 Ca 0.57 1.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.96 2dbh s SER 100 Cb -0.14 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2dbh s SER 100 CO 0.60 -0.14 1.98 -0.44 0.41 0.00 0.00 173.24 175.65 2dbh s SER 101 N -2.01 5.42 0.00 2.44 0.01 -1.26 -5.31 113.70 112.99 2dbh s SER 101 Ca 0.51 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2dbh s SER 101 Cb -0.13 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2dbh s SER 101 CO 0.18 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.33