#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dvh s ASP 2 N 0.00 -0.07 0.30 0.00 1.47 -1.26 -4.64 116.67 112.47 2dvh s ASP 2 Ca 0.00 -0.14 0.20 0.00 1.18 0.00 0.00 52.55 53.79 2dvh s ASP 2 Cb 0.00 0.28 1.04 0.00 -0.34 0.00 0.00 42.92 43.89 2dvh s ASP 2 CO 0.00 -0.47 1.14 0.61 0.68 0.00 0.00 175.17 177.13 2dvh n GLY 3 N 1.11 -0.58 0.36 2.12 0.00 -1.25 -0.57 105.19 106.38 2dvh n GLY 3 Ca -0.21 0.57 0.04 0.00 0.00 0.00 0.00 46.02 46.42 2dvh n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh h ALA 4 N 1.28 1.40 -0.00 4.61 0.00 -1.92 0.29 119.26 124.92 2dvh h ALA 4 Ca 0.63 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 2dvh h ALA 4 Cb 1.87 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2dvh h ALA 4 CO -0.43 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2dvh h ALA 5 N 1.48 0.00 -0.66 0.00 0.00 -1.26 -3.10 119.26 115.72 2dvh h ALA 5 Ca 0.45 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.33 2dvh h ALA 5 Cb 0.30 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2dvh h ALA 5 CO -0.21 -0.38 0.30 -0.07 0.00 0.00 0.00 179.25 178.89 2dvh h LEU 6 N -0.23 0.37 -1.49 0.00 4.07 -1.47 -2.84 115.31 113.73 2dvh h LEU 6 Ca 0.00 0.06 0.21 0.00 0.08 0.00 0.00 57.88 58.24 2dvh h LEU 6 Cb 0.23 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 41.91 2dvh h LEU 6 CO 0.00 0.22 0.61 0.22 -1.08 0.00 0.00 178.44 178.41 2dvh h TYR 7 N 0.53 0.56 -0.64 1.13 3.20 -0.88 -2.48 116.97 118.39 2dvh h TYR 7 Ca 0.33 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.34 2dvh h TYR 7 Cb 0.36 -0.17 -0.12 0.00 1.54 0.00 0.00 36.73 38.34 2dvh h TYR 7 CO -0.13 0.14 -0.15 0.87 -1.64 0.00 0.00 178.16 177.25 2dvh h LYS 8 N 0.41 0.01 0.00 1.82 1.57 -1.60 -0.14 116.57 118.65 2dvh h LYS 8 Ca 0.49 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2dvh h LYS 8 Cb 1.21 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2dvh h LYS 8 CO -0.19 0.00 0.12 0.77 -0.57 0.00 0.00 179.45 179.58 2dvh h SER 9 N 0.01 0.00 0.67 0.86 0.02 -1.65 -1.96 113.55 111.49 2dvh h SER 9 Ca 0.31 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2dvh h SER 9 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2dvh h SER 9 CO -0.65 0.00 -1.41 0.00 -1.14 0.00 0.00 176.83 173.63 2dvh n ILE 11 N -2.74 1.89 0.00 0.00 5.41 -0.74 -1.51 119.36 121.68 2dvh n ILE 11 Ca -0.07 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.20 2dvh n ILE 11 Cb 0.74 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 2dvh n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dvh n GLY 12 N 0.85 3.11 0.12 7.39 0.00 -1.26 -4.74 105.19 110.66 2dvh n GLY 12 Ca 0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 2dvh n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh n HIS 14 N -3.23 0.00 0.00 0.00 8.25 -0.64 -3.47 115.22 116.13 2dvh n HIS 14 Ca -0.36 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 2dvh n HIS 14 Cb 1.04 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.79 2dvh n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dvh n GLY 15 N 2.12 -0.85 0.00 -1.41 0.00 -1.26 -1.31 105.19 102.49 2dvh n GLY 15 Ca -0.09 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.37 2dvh n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh n ALA 16 N -0.64 1.78 -1.25 4.61 0.00 -1.26 -1.55 120.51 122.21 2dvh n ALA 16 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2dvh n ALA 16 Cb 0.00 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.35 2dvh n ALA 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dvh n ASP 17 N -1.24 1.78 -1.04 0.00 2.03 -1.26 -5.01 116.55 111.81 2dvh n ASP 17 Ca 0.07 -2.79 -0.04 0.00 0.52 0.00 0.00 54.79 52.55 2dvh n ASP 17 Cb 0.09 -0.36 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 2dvh n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dvh n GLY 18 N -1.07 0.38 0.06 0.27 0.00 -0.59 -4.45 105.19 99.78 2dvh n GLY 18 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2dvh n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dvh n SER 19 N 0.63 0.23 -4.73 1.61 3.41 -0.43 -0.82 113.62 113.53 2dvh n SER 19 Ca -0.04 0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 2dvh n SER 19 Cb 0.14 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.38 2dvh n SER 19 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2dvh s LYS 20 N -3.19 4.39 -0.53 4.33 -2.85 -0.52 -4.79 119.74 116.59 2dvh s LYS 20 Ca -0.07 1.98 -0.27 0.00 -1.00 0.00 0.00 55.97 56.61 2dvh s LYS 20 Cb 0.11 -3.24 -0.01 0.00 -2.06 0.00 0.00 37.83 32.62 2dvh s LYS 20 CO 0.86 -0.28 1.75 0.00 0.10 0.00 0.00 175.35 177.79 2dvh s ALA 21 N 0.51 2.48 1.36 0.59 0.00 -1.26 -4.42 121.76 121.02 2dvh s ALA 21 Ca 0.58 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 2dvh s ALA 21 Cb -0.35 -4.18 0.35 0.00 0.00 0.00 0.00 23.12 18.94 2dvh s ALA 21 CO 0.34 -3.36 0.93 0.00 0.00 0.00 0.00 175.76 173.66 2dvh n ALA 22 N 11.46 -4.29 -0.83 0.00 0.00 -1.23 -4.48 120.51 121.14 2dvh n ALA 22 Ca 0.19 -1.65 -0.33 0.00 0.00 0.00 0.00 53.44 51.66 2dvh n ALA 22 Cb 0.50 -1.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 2dvh n ALA 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2dvh n MET 23 N -5.45 0.00 -3.36 0.00 2.81 -1.26 -0.90 117.12 108.96 2dvh n MET 23 Ca 0.08 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.81 2dvh n MET 23 Cb 0.58 -0.81 0.08 0.00 -0.71 0.00 0.00 33.22 32.35 2dvh n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dvh n GLY 24 N 0.98 -0.78 4.10 3.03 0.00 -1.26 -3.59 105.19 107.66 2dvh n GLY 24 Ca 0.12 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 2dvh n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dvh n SER 25 N -3.16 -1.89 -4.77 1.61 7.64 -1.07 -4.88 113.62 107.09 2dvh n SER 25 Ca -0.17 -1.22 -0.40 0.00 1.01 0.00 0.00 58.87 58.09 2dvh n SER 25 Cb 0.64 -2.05 0.01 0.00 -1.01 0.00 0.00 64.21 61.80 2dvh n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dvh s ALA 26 N -3.89 3.38 -0.04 -0.43 0.00 -0.08 -4.91 121.76 115.80 2dvh s ALA 26 Ca 0.24 1.48 -0.34 0.00 0.00 0.00 0.00 51.96 53.34 2dvh s ALA 26 Cb -0.12 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 2dvh s ALA 26 CO 0.96 -1.08 1.82 1.63 0.00 0.00 0.00 175.76 179.08 2dvh n LYS 27 N 0.14 2.16 -1.81 0.00 4.01 -1.26 -4.24 118.16 117.15 2dvh n LYS 27 Ca 0.03 0.79 -0.40 0.00 -0.51 0.00 0.00 58.31 58.22 2dvh n LYS 27 Cb 0.41 -2.62 0.01 0.00 -0.51 0.00 0.00 35.03 32.33 2dvh n LYS 27 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2dvh s PRO 28 N 3.40 3.72 0.01 1.97 0.04 -1.26 -4.87 135.00 138.01 2dvh s PRO 28 Ca 0.90 2.41 -0.25 0.00 0.04 0.00 0.00 61.00 64.10 2dvh s PRO 28 Cb -0.69 -2.68 -0.17 0.00 0.04 0.00 0.00 34.50 30.99 2dvh s PRO 28 CO 0.49 -0.78 1.32 0.28 0.04 0.00 0.00 177.00 178.34 2dvh h VAL 29 N 2.34 0.94 0.00 -0.36 2.07 -1.28 -3.39 116.25 116.57 2dvh h VAL 29 Ca -0.51 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2dvh h VAL 29 Cb 1.26 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2dvh h VAL 29 CO 0.61 0.15 0.09 1.17 0.02 0.00 0.00 177.57 179.62 2dvh n LYS 30 N -5.05 0.00 -4.37 1.57 0.00 -0.04 -0.50 118.16 109.78 2dvh n LYS 30 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.88 2dvh n LYS 30 Cb 0.23 -0.05 -0.10 0.00 0.00 0.00 0.00 35.03 35.11 2dvh n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dvh n GLY 31 N 0.28 -0.18 0.29 3.14 0.00 0.04 -4.83 105.19 103.93 2dvh n GLY 31 Ca 0.03 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.30 2dvh n GLY 31 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dvh h GLN 32 N -1.58 0.07 0.00 1.61 3.07 -0.99 -3.45 115.11 113.85 2dvh h GLN 32 Ca -0.65 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.09 2dvh h GLN 32 Cb 1.40 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.94 2dvh h GLN 32 CO 0.75 0.05 0.00 0.41 0.09 0.00 0.00 178.83 180.13 2dvh n GLY 33 N -1.55 3.37 0.30 0.06 0.00 -1.26 -4.89 105.19 101.22 2dvh n GLY 33 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.99 2dvh n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dvh h ALA 34 N 0.00 1.62 0.41 4.61 0.00 -1.87 0.23 119.26 124.26 2dvh h ALA 34 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dvh h ALA 34 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2dvh h ALA 34 CO 0.00 0.32 -0.20 0.93 0.00 0.00 0.00 179.25 180.31 2dvh h GLU 35 N 0.57 -0.53 -0.21 0.00 4.39 -1.95 0.21 114.58 117.05 2dvh h GLU 35 Ca 0.15 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.92 2dvh h GLU 35 Cb 0.02 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 2dvh h GLU 35 CO -0.02 -0.26 -0.51 0.93 -1.16 0.00 0.00 179.01 177.98 2dvh h GLU 36 N -0.74 -0.47 -0.11 2.33 4.39 -1.75 0.57 114.58 118.80 2dvh h GLU 36 Ca -0.06 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2dvh h GLU 36 Cb 0.52 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 2dvh h GLU 36 CO 0.09 -0.31 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.34 2dvh h LEU 37 N -0.49 -0.66 0.17 1.33 3.38 -0.59 -0.22 115.31 118.24 2dvh h LEU 37 Ca 0.04 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2dvh h LEU 37 Cb 0.61 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2dvh h LEU 37 CO -0.46 -0.27 -0.26 0.22 0.09 0.00 0.00 178.44 177.77 2dvh h TYR 38 N -0.29 -0.68 0.07 1.13 3.20 -0.17 0.18 116.97 120.41 2dvh h TYR 38 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2dvh h TYR 38 Cb 0.42 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2dvh h TYR 38 CO -0.31 -0.36 -0.06 0.87 -1.64 0.00 0.00 178.16 176.65 2dvh h LYS 39 N -0.49 -0.14 -0.35 1.82 1.79 -0.62 0.18 116.57 118.75 2dvh h LYS 39 Ca 0.02 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2dvh h LYS 39 Cb 0.49 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2dvh h LYS 39 CO -0.11 -0.10 -0.03 0.87 -1.08 0.00 0.00 179.45 179.00 2dvh h LYS 40 N -0.15 0.63 -0.83 3.15 6.56 -0.96 0.63 116.57 125.60 2dvh h LYS 40 Ca 0.00 -0.22 -0.04 0.00 -1.06 0.00 0.00 60.65 59.34 2dvh h LYS 40 Cb 0.14 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.71 2dvh h LYS 40 CO -0.01 0.77 0.37 0.00 -2.06 0.00 0.00 179.45 178.52 2dvh h MET 41 N 0.43 1.21 0.48 3.15 -0.00 -0.52 0.13 114.93 119.80 2dvh h MET 41 Ca 0.09 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 2dvh h MET 41 Cb 0.50 -0.21 -0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2dvh h MET 41 CO 0.02 0.95 -0.29 -0.22 -0.00 0.00 0.00 176.91 177.37 2dvh h LYS 42 N 1.19 -0.71 -0.58 -0.10 3.11 -0.51 -0.04 116.57 118.93 2dvh h LYS 42 Ca 0.28 0.05 0.12 0.00 -2.81 0.00 0.00 60.65 58.29 2dvh h LYS 42 Cb 0.15 0.16 -0.10 0.00 -1.00 0.00 0.00 32.23 31.45 2dvh h LYS 42 CO -0.03 -0.47 -0.01 0.78 -2.81 0.00 0.00 179.45 176.91 2dvh h GLY 43 N -0.73 0.59 0.75 5.01 0.00 -0.37 0.19 103.07 108.51 2dvh h GLY 43 Ca -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 2dvh h GLY 43 CO 0.05 -0.18 -0.39 -0.97 0.00 0.00 0.00 176.54 175.06 2dvh h TYR 44 N 0.11 -1.01 -0.96 5.60 0.05 -0.56 0.34 116.97 120.54 2dvh h TYR 44 Ca 0.30 -0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.18 2dvh h TYR 44 Cb 0.47 0.34 -0.08 0.00 1.01 0.00 0.00 36.73 38.48 2dvh h TYR 44 CO -0.36 -0.61 0.61 0.00 -1.05 0.00 0.00 178.16 176.75 2dvh h ALA 45 N -1.46 1.60 0.00 3.88 0.00 -0.58 0.11 119.26 122.81 2dvh h ALA 45 Ca -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2dvh h ALA 45 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dvh h ALA 45 CO 0.15 0.17 -0.25 0.22 0.00 0.00 0.00 179.25 179.54 2dvh h ASP 46 N 0.92 0.00 -0.04 0.00 3.58 -0.55 -3.33 116.42 117.00 2dvh h ASP 46 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2dvh h ASP 46 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2dvh h ASP 46 CO -0.23 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2dvh n GLY 47 N -0.71 1.02 0.42 -0.78 0.00 0.39 -5.01 105.19 100.52 2dvh n GLY 47 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2dvh n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dvh n SER 48 N 1.17 0.00 -4.67 1.61 3.41 -0.04 -4.96 113.62 110.14 2dvh n SER 48 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2dvh n SER 48 Cb 0.30 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2dvh n SER 48 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2dvh s TYR 49 N -0.95 1.77 -1.23 7.33 5.04 -1.06 -4.88 117.35 123.36 2dvh s TYR 49 Ca 0.00 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 2dvh s TYR 49 Cb 0.00 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.21 2dvh s TYR 49 CO 0.00 -4.72 0.00 0.41 -1.34 0.00 0.00 175.55 169.90 2dvh n GLY 50 N 4.30 -1.46 0.00 8.97 0.00 -1.26 -3.71 105.19 112.04 2dvh n GLY 50 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2dvh n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dvh n GLY 51 N -0.16 1.26 0.00 -0.02 0.00 -1.26 -4.98 105.19 100.03 2dvh n GLY 51 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2dvh n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dvh n GLU 52 N -0.37 0.00 -0.23 1.61 -0.00 -1.26 -0.10 120.64 120.29 2dvh n GLU 52 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.11 2dvh n GLU 52 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 31.44 31.56 2dvh n GLU 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2dvh h ARG 53 N 0.00 1.05 0.00 3.44 0.11 -1.99 -2.51 114.38 114.48 2dvh h ARG 53 Ca 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.88 2dvh h ARG 53 Cb 0.00 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.91 2dvh h ARG 53 CO 0.00 0.88 0.00 0.87 0.10 0.00 0.00 179.97 181.82 2dvh h LYS 54 N 1.02 0.00 -0.93 0.08 1.57 -0.90 -1.69 116.57 115.73 2dvh h LYS 54 Ca 0.23 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.25 2dvh h LYS 54 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 2dvh h LYS 54 CO -0.01 0.00 0.64 0.00 -0.57 0.00 0.00 179.45 179.51 2dvh h ALA 55 N 2.01 2.51 0.47 3.86 0.00 -0.25 0.24 119.26 128.09 2dvh h ALA 55 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dvh h ALA 55 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dvh h ALA 55 CO 0.00 -0.80 -0.23 0.52 0.00 0.00 0.00 179.25 178.74 2dvh h MET 56 N 0.22 -0.61 -0.95 0.00 2.86 -1.53 -3.27 114.93 111.65 2dvh h MET 56 Ca 0.48 0.04 0.28 0.00 -2.06 0.00 0.00 59.70 58.44 2dvh h MET 56 Cb 1.49 0.14 -0.17 0.00 0.06 0.00 0.00 31.60 33.12 2dvh h MET 56 CO -0.12 -0.41 0.18 1.98 1.06 0.00 0.00 176.91 179.60 2dvh h MET 57 N -0.84 0.07 -0.93 1.72 -1.53 -1.51 0.65 114.93 112.55 2dvh h MET 57 Ca -0.06 -0.00 0.26 0.00 -3.44 0.00 0.00 59.70 56.45 2dvh h MET 57 Cb 0.49 -0.02 -0.17 0.00 -0.55 0.00 0.00 31.60 31.35 2dvh h MET 57 CO 0.11 0.05 0.09 1.15 0.14 0.00 0.00 176.91 178.44 2dvh h THR 58 N 0.07 0.12 -0.14 -0.77 2.02 -0.61 0.71 112.91 114.32 2dvh h THR 58 Ca 0.63 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.78 2dvh h THR 58 Cb 1.36 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2dvh h THR 58 CO -0.81 0.01 0.00 0.59 0.37 0.00 0.00 175.52 175.68 2dvh n ASN 59 N -5.41 3.14 -0.23 4.18 5.03 0.12 -3.19 115.26 118.90 2dvh n ASN 59 Ca 0.22 -3.03 -0.05 0.00 0.87 0.00 0.00 54.58 52.59 2dvh n ASN 59 Cb 0.73 -0.48 0.11 0.00 -1.02 0.00 0.00 39.78 39.11 2dvh n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dvh h ALA 60 N 0.94 1.09 -0.44 5.41 0.00 0.21 -2.05 119.26 124.42 2dvh h ALA 60 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2dvh h ALA 60 Cb 1.22 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2dvh h ALA 60 CO 0.11 0.63 0.17 1.33 0.00 0.00 0.00 179.25 181.49 2dvh n VAL 61 N -4.27 1.90 0.00 0.00 0.24 -1.23 -4.98 118.33 110.00 2dvh n VAL 61 Ca 0.06 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2dvh n VAL 61 Cb 0.21 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 2dvh n VAL 61 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dvh n LYS 62 N 0.00 0.00 -4.36 7.34 4.81 -0.77 -0.44 118.16 124.74 2dvh n LYS 62 Ca 0.24 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.31 2dvh n LYS 62 Cb 0.97 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.96 2dvh n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2dvh n LYS 63 N 0.00 -1.70 -1.55 1.64 4.01 -1.25 -4.89 118.16 114.43 2dvh n LYS 63 Ca 0.00 0.22 -0.44 0.00 -0.51 0.00 0.00 58.31 57.58 2dvh n LYS 63 Cb 0.00 -4.60 -0.01 0.00 -0.51 0.00 0.00 35.03 29.91 2dvh n LYS 63 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dvh n ALA 64 N -4.28 -0.74 -1.78 7.82 0.00 0.41 -4.96 120.51 116.98 2dvh n ALA 64 Ca -0.01 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 2dvh n ALA 64 Cb 0.53 -1.93 0.04 0.00 0.00 0.00 0.00 19.45 18.09 2dvh n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dvh s SER 65 N -0.69 5.52 0.26 0.00 0.15 -1.26 -4.60 113.70 113.08 2dvh s SER 65 Ca 0.60 1.32 -0.08 0.00 0.70 0.00 0.00 55.95 58.49 2dvh s SER 65 Cb -0.71 -2.19 0.43 0.00 -1.71 0.00 0.00 66.02 61.84 2dvh s SER 65 CO 0.59 -1.31 1.59 -2.24 1.20 0.00 0.00 173.24 173.07 2dvh h ASP 66 N -0.63 -0.68 -0.17 5.45 2.03 -1.99 0.25 116.42 120.68 2dvh h ASP 66 Ca -0.45 0.25 0.03 0.00 -0.73 0.00 0.00 57.03 56.13 2dvh h ASP 66 Cb 1.23 0.49 -0.03 0.00 -0.83 0.00 0.00 39.33 40.20 2dvh h ASP 66 CO 0.62 -0.27 0.00 -0.33 -1.03 0.00 0.00 179.24 178.22 2dvh h GLU 67 N 0.02 0.05 -0.22 4.15 3.07 -1.94 -0.47 114.58 119.23 2dvh h GLU 67 Ca 0.43 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.30 2dvh h GLU 67 Cb 0.71 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 2dvh h GLU 67 CO -0.85 0.04 0.12 0.93 -1.40 0.00 0.00 179.01 177.85 2dvh h GLU 68 N 0.06 0.25 0.65 2.33 4.39 -0.93 0.30 114.58 121.62 2dvh h GLU 68 Ca 0.08 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2dvh h GLU 68 Cb 0.10 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2dvh h GLU 68 CO -0.13 0.17 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.41 2dvh h LEU 69 N 0.26 -1.01 -0.24 1.33 3.38 -0.27 0.34 115.31 119.09 2dvh h LEU 69 Ca 0.09 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2dvh h LEU 69 Cb 0.00 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2dvh h LEU 69 CO -0.05 -0.62 -0.07 0.11 0.09 0.00 0.00 178.44 177.90 2dvh h LYS 70 N -0.99 -0.02 -0.26 1.13 1.57 -1.06 -1.67 116.57 115.28 2dvh h LYS 70 Ca -0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2dvh h LYS 70 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2dvh h LYS 70 CO 0.08 -0.01 -0.00 0.00 -0.57 0.00 0.00 179.45 178.95 2dvh h ALA 71 N 1.21 1.52 -0.09 3.86 0.00 -0.77 -0.31 119.26 124.68 2dvh h ALA 71 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dvh h ALA 71 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dvh h ALA 71 CO -0.26 0.35 0.03 -0.07 0.00 0.00 0.00 179.25 179.30 2dvh h LEU 72 N 0.37 0.12 0.18 0.00 3.38 0.58 0.11 115.31 120.06 2dvh h LEU 72 Ca 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2dvh h LEU 72 Cb 0.26 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2dvh h LEU 72 CO 0.01 0.28 -0.32 0.00 0.09 0.00 0.00 178.44 178.50 2dvh h ALA 73 N 0.85 -0.58 -0.43 1.53 0.00 -0.87 0.12 119.26 119.88 2dvh h ALA 73 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2dvh h ALA 73 Cb 0.20 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 2dvh h ALA 73 CO -0.00 -0.88 -0.20 -0.44 0.00 0.00 0.00 179.25 177.73 2dvh h ASP 74 N -0.58 -0.68 0.03 0.00 3.32 -0.96 -0.10 116.42 117.45 2dvh h ASP 74 Ca 0.02 0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.23 2dvh h ASP 74 Cb 0.58 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2dvh h ASP 74 CO -0.15 -0.23 -0.06 0.22 -1.72 0.00 0.00 179.24 177.30 2dvh h TYR 75 N -0.11 -0.15 0.00 4.55 5.03 -0.44 -2.17 116.97 123.68 2dvh h TYR 75 Ca 0.21 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2dvh h TYR 75 Cb 0.43 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2dvh h TYR 75 CO -0.45 -0.10 0.00 0.52 -1.32 0.00 0.00 178.16 176.81 2dvh h MET 76 N -0.12 0.00 -0.27 1.82 2.86 -0.14 0.16 114.93 119.24 2dvh h MET 76 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2dvh h MET 76 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2dvh h MET 76 CO -0.04 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.36 2dvh n SER 77 N -3.03 1.75 -2.70 1.22 7.64 -0.11 -0.78 113.62 117.61 2dvh n SER 77 Ca -0.02 -1.87 -0.07 0.00 1.01 0.00 0.00 58.87 57.91 2dvh n SER 77 Cb 0.11 -0.18 0.04 0.00 -1.01 0.00 0.00 64.21 63.17 2dvh n SER 77 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dvh n LYS 78 N 0.42 1.26 0.00 1.43 5.02 0.56 -4.82 118.16 122.02 2dvh n LYS 78 Ca 0.13 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 2dvh n LYS 78 Cb 0.30 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2dvh n LYS 78 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77