#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 n SER 2 N 0.00 -3.50 -3.65 1.61 7.64 -1.26 -5.02 113.62 109.45 2dn4 n SER 2 Ca 0.00 0.75 -0.02 0.00 1.01 0.00 0.00 58.87 60.61 2dn4 n SER 2 Cb 0.00 3.34 -0.07 0.00 -1.01 0.00 0.00 64.21 66.47 2dn4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dn4 s SER 3 N -2.03 -0.13 0.00 6.43 0.15 -1.26 -5.18 113.70 111.68 2dn4 s SER 3 Ca 0.00 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2dn4 s SER 3 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dn4 s SER 3 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2dn4 n GLY 4 N 2.12 4.90 1.32 9.45 0.00 -1.26 -5.09 105.19 116.63 2dn4 n GLY 4 Ca -0.13 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2dn4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn4 n SER 5 N 0.00 -2.56 -3.83 1.61 7.64 -1.26 -5.15 113.62 110.07 2dn4 n SER 5 Ca 0.00 0.74 -0.11 0.00 1.01 0.00 0.00 58.87 60.52 2dn4 n SER 5 Cb 0.00 2.57 -0.08 0.00 -1.01 0.00 0.00 64.21 65.68 2dn4 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn4 s SER 6 N -1.97 -0.00 0.00 6.43 1.04 -1.26 -5.09 113.70 112.85 2dn4 s SER 6 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2dn4 s SER 6 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2dn4 s SER 6 CO 0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2dn4 n GLY 7 N 0.80 1.59 0.34 7.32 0.00 -1.26 -4.89 105.19 109.09 2dn4 n GLY 7 Ca -0.19 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 2dn4 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dn4 h LEU 8 N 0.00 -1.75 -0.72 0.99 3.38 -1.98 0.88 115.31 116.11 2dn4 h LEU 8 Ca 0.00 0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.35 2dn4 h LEU 8 Cb 0.00 0.77 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 2dn4 h LEU 8 CO 0.00 -0.20 -0.36 -0.09 0.09 0.00 0.00 178.44 177.89 2dn4 h ARG 9 N -0.02 -0.11 -0.54 1.13 2.43 -1.96 0.57 114.38 115.88 2dn4 h ARG 9 Ca 0.13 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2dn4 h ARG 9 Cb 0.34 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2dn4 h ARG 9 CO -0.75 -0.07 0.26 -0.22 -1.51 0.00 0.00 179.97 177.68 2dn4 h LYS 10 N -0.11 0.49 -0.07 0.20 3.64 -0.77 1.44 116.57 121.39 2dn4 h LYS 10 Ca 0.27 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2dn4 h LYS 10 Cb 0.57 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2dn4 h LYS 10 CO -0.78 0.32 -0.15 1.96 -2.27 0.00 0.00 179.45 178.53 2dn4 h GLN 11 N 0.51 -0.21 -0.30 1.90 4.20 0.53 0.22 115.11 121.95 2dn4 h GLN 11 Ca 0.25 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2dn4 h GLN 11 Cb 0.18 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2dn4 h GLN 11 CO -0.19 -0.14 -0.01 0.28 -0.67 0.00 0.00 178.83 178.10 2dn4 h VAL 12 N -0.22 1.26 -0.40 -0.54 2.07 0.49 0.15 116.25 119.06 2dn4 h VAL 12 Ca 0.07 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.71 2dn4 h VAL 12 Cb 0.32 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 2dn4 h VAL 12 CO -0.20 0.31 -0.22 -0.33 0.02 0.00 0.00 177.57 177.16 2dn4 h GLU 13 N 0.32 -0.14 -0.45 1.57 5.08 0.25 1.51 114.58 122.72 2dn4 h GLU 13 Ca 0.08 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2dn4 h GLU 13 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2dn4 h GLU 13 CO 0.02 -0.09 -0.22 0.93 -1.00 0.00 0.00 179.01 178.65 2dn4 h GLU 14 N -0.15 0.94 0.66 2.33 4.39 -0.48 -2.90 114.58 119.37 2dn4 h GLU 14 Ca 0.19 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 2dn4 h GLU 14 Cb 0.45 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2dn4 h GLU 14 CO -0.49 1.07 -0.32 1.25 -1.16 0.00 0.00 179.01 179.36 2dn4 h LEU 15 N 0.78 -0.77 -0.80 1.33 5.85 0.71 0.11 115.31 122.54 2dn4 h LEU 15 Ca 0.10 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2dn4 h LEU 15 Cb 0.79 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.90 2dn4 h LEU 15 CO 0.07 -0.54 -0.48 -0.26 -0.34 0.00 0.00 178.44 176.89 2dn4 h PHE 16 N -0.89 -1.43 0.04 1.25 -1.00 0.21 0.63 116.94 115.74 2dn4 h PHE 16 Ca -0.09 0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.80 2dn4 h PHE 16 Cb 0.69 0.74 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 2dn4 h PHE 16 CO -0.03 -0.41 -0.07 0.93 -1.61 0.00 0.00 178.31 177.12 2dn4 h GLU 17 N -0.12 -0.14 -0.70 1.51 5.08 -1.39 -2.35 114.58 116.48 2dn4 h GLU 17 Ca 0.21 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2dn4 h GLU 17 Cb 0.53 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 2dn4 h GLU 17 CO -0.83 -0.09 -0.48 0.00 -1.00 0.00 0.00 179.01 176.61 2dn4 h ARG 18 N -0.15 -0.08 -0.40 2.33 2.47 0.14 1.67 114.38 120.37 2dn4 h ARG 18 Ca 0.02 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.82 2dn4 h ARG 18 Cb 0.16 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.41 2dn4 h ARG 18 CO -0.05 -0.05 -0.33 0.87 0.56 0.00 0.00 179.97 180.97 2dn4 h LYS 19 N -0.08 -0.25 -0.11 0.04 1.79 -0.94 1.24 116.57 118.26 2dn4 h LYS 19 Ca 0.11 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.64 2dn4 h LYS 19 Cb 0.37 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2dn4 h LYS 19 CO -0.70 -0.16 -0.11 -0.92 -1.08 0.00 0.00 179.45 176.47 2dn4 h TYR 20 N -0.26 -0.28 -0.77 -1.35 3.20 -0.21 0.21 116.97 117.53 2dn4 h TYR 20 Ca 0.17 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2dn4 h TYR 20 Cb 0.54 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 2dn4 h TYR 20 CO -0.54 -0.17 0.47 0.00 -1.64 0.00 0.00 178.16 176.29 2dn4 h ALA 21 N 0.94 1.03 -0.95 1.82 0.00 0.36 -1.00 119.26 121.45 2dn4 h ALA 21 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dn4 h ALA 21 Cb 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2dn4 h ALA 21 CO -0.19 0.23 0.58 1.96 0.00 0.00 0.00 179.25 181.83 2dn4 h GLN 22 N 0.90 1.29 -0.75 0.00 1.08 0.24 1.94 115.11 119.81 2dn4 h GLN 22 Ca 0.32 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2dn4 h GLN 22 Cb 0.10 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 2dn4 h GLN 22 CO -0.14 0.90 0.46 0.00 -0.95 0.00 0.00 178.83 179.10 2dn4 h ALA 23 N 1.32 1.40 -0.58 3.87 0.00 0.65 -0.07 119.26 125.86 2dn4 h ALA 23 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dn4 h ALA 23 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2dn4 h ALA 23 CO -0.07 0.53 0.00 0.44 0.00 0.00 0.00 179.25 180.15 2dn4 n ILE 24 N -4.39 0.76 -3.61 0.00 -5.35 -0.58 -4.96 119.36 101.23 2dn4 n ILE 24 Ca 0.08 -0.87 -0.29 0.00 -0.27 0.00 0.00 62.75 61.41 2dn4 n ILE 24 Cb 0.06 0.71 0.05 0.00 -1.74 0.00 0.00 39.64 38.71 2dn4 n ILE 24 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2dn4 n LYS 25 N 1.56 -1.37 -4.33 6.28 4.76 0.53 -4.96 118.16 120.62 2dn4 n LYS 25 Ca 0.22 0.53 -0.34 0.00 -2.87 0.00 0.00 58.31 55.86 2dn4 n LYS 25 Cb 0.61 -4.39 -0.13 0.00 -1.84 0.00 0.00 35.03 29.27 2dn4 n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dn4 s ALA 26 N -3.44 2.84 -0.36 7.82 0.00 0.53 -4.95 121.76 124.19 2dn4 s ALA 26 Ca 0.47 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.52 2dn4 s ALA 26 Cb -0.15 -1.52 0.55 0.00 0.00 0.00 0.00 23.12 21.99 2dn4 s ALA 26 CO 0.84 -0.00 1.65 1.17 0.00 0.00 0.00 175.76 179.42 2dn4 n LYS 27 N 3.97 2.47 -4.18 0.00 4.81 -1.26 -4.43 118.16 119.54 2dn4 n LYS 27 Ca -0.18 -2.36 -0.12 0.00 -0.87 0.00 0.00 58.31 54.79 2dn4 n LYS 27 Cb 0.52 -1.96 -0.09 0.00 0.02 0.00 0.00 35.03 33.52 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2dn4 s GLY 28 N -0.73 1.34 -0.23 3.14 0.00 -1.26 -5.12 107.32 104.45 2dn4 s GLY 28 Ca 0.44 -1.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 2dn4 s GLY 28 CO 0.09 -1.31 1.32 2.56 0.00 0.00 0.00 173.10 175.76 2dn4 s PRO 29 N -4.14 4.05 0.32 2.90 0.04 -1.26 -4.90 135.00 131.99 2dn4 s PRO 29 Ca 0.37 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2dn4 s PRO 29 Cb 0.06 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2dn4 s PRO 29 CO 0.12 -0.95 0.15 0.14 0.04 0.00 0.00 177.00 176.50 2dn4 s VAL 30 N 4.06 3.36 -0.03 -0.36 -7.23 -1.26 -5.01 120.40 113.93 2dn4 s VAL 30 Ca 0.57 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 59.09 2dn4 s VAL 30 Cb -0.20 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 2dn4 s VAL 30 CO 0.20 -0.23 0.10 -0.89 -0.31 0.00 0.00 175.10 173.97 2dn4 s THR 31 N -2.35 4.91 -0.34 5.32 2.01 -1.26 -4.85 115.64 119.08 2dn4 s THR 31 Ca 0.37 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 2dn4 s THR 31 Cb -0.04 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2dn4 s THR 31 CO 0.23 0.42 0.36 -0.63 -0.69 0.00 0.00 174.62 174.31 2dn4 s ILE 32 N -1.15 5.17 -0.34 1.82 1.01 -1.26 -5.03 121.20 121.42 2dn4 s ILE 32 Ca 0.21 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.65 2dn4 s ILE 32 Cb -0.12 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2dn4 s ILE 32 CO 0.12 -0.08 1.37 -2.16 0.00 0.00 0.00 174.94 174.19 2dn4 s PRO 33 N 2.02 3.77 0.13 2.79 0.04 -1.26 -4.88 135.00 137.60 2dn4 s PRO 33 Ca 0.12 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2dn4 s PRO 33 Cb -0.16 -3.95 -0.12 0.00 0.04 0.00 0.00 34.50 30.30 2dn4 s PRO 33 CO 0.12 -1.31 1.29 1.88 0.04 0.00 0.00 177.00 179.01 2dn4 h TYR 34 N 9.97 0.34 0.00 0.56 0.05 -1.99 -3.13 116.97 122.78 2dn4 h TYR 34 Ca -0.27 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.29 2dn4 h TYR 34 Cb 1.11 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2dn4 h TYR 34 CO 0.92 1.08 -0.00 -1.00 -1.05 0.00 0.00 178.16 178.11 2dn4 h PRO 35 N 0.10 -0.00 -0.84 4.88 0.13 -1.98 -1.76 132.00 132.52 2dn4 h PRO 35 Ca -0.07 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.24 2dn4 h PRO 35 Cb 1.68 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.65 2dn4 h PRO 35 CO 0.16 -0.00 -0.18 1.28 -0.23 0.00 0.00 178.00 179.03 2dn4 n LEU 36 N -2.04 -0.27 -0.07 1.56 4.77 -1.26 0.20 117.00 119.88 2dn4 n LEU 36 Ca -0.00 1.44 -0.10 0.00 -0.03 0.00 0.00 56.01 57.32 2dn4 n LEU 36 Cb 0.00 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2dn4 n LEU 36 CO 0.00 -1.39 0.94 -0.26 -1.33 0.00 0.00 177.39 175.35 2dn4 h PHE 37 N 0.00 0.35 -0.21 -1.77 -1.00 -1.66 0.82 116.94 113.47 2dn4 h PHE 37 Ca 0.42 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.19 2dn4 h PHE 37 Cb 0.68 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 2dn4 h PHE 37 CO -0.61 0.28 0.12 1.96 -1.61 0.00 0.00 178.31 178.44 2dn4 h GLN 38 N 0.31 0.27 -0.05 1.51 1.08 0.31 0.12 115.11 118.67 2dn4 h GLN 38 Ca 0.09 -0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 57.06 2dn4 h GLN 38 Cb 0.04 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2dn4 h GLN 38 CO -0.02 0.20 -0.84 1.03 -0.95 0.00 0.00 178.83 178.25 2dn4 h SER 39 N 0.28 0.57 -2.18 1.46 0.87 0.85 -3.34 113.55 112.06 2dn4 h SER 39 Ca 0.07 -0.41 -0.58 0.00 -1.23 0.00 0.00 61.79 59.64 2dn4 h SER 39 Cb -0.00 -0.17 -0.41 0.00 -0.44 0.00 0.00 62.40 61.37 2dn4 h SER 39 CO -0.01 1.19 -0.72 1.41 -0.53 0.00 0.00 176.83 178.17 2dn4 n HIS 40 N -3.80 2.97 0.93 2.24 8.25 0.22 -4.83 115.22 121.19 2dn4 n HIS 40 Ca -0.06 -4.01 0.12 0.00 -0.26 0.00 0.00 57.72 53.50 2dn4 n HIS 40 Cb 0.78 -0.50 0.54 0.00 1.12 0.00 0.00 29.99 31.92 2dn4 n HIS 40 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dn4 n VAL 41 N 0.60 0.33 0.10 1.59 0.24 0.29 0.95 118.33 122.43 2dn4 n VAL 41 Ca 0.29 0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.72 2dn4 n VAL 41 Cb 0.44 -0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 32.12 2dn4 n VAL 41 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dn4 h GLU 42 N 0.00 0.00 0.00 7.34 5.08 -1.88 -3.41 114.58 121.71 2dn4 h GLU 42 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2dn4 h GLU 42 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2dn4 h GLU 42 CO 0.00 0.20 -0.78 -0.25 -1.00 0.00 0.00 179.01 177.19 2dn4 n ASP 43 N -2.91 1.14 -4.55 1.42 8.00 -1.00 -4.95 116.55 113.69 2dn4 n ASP 43 Ca -0.03 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 2dn4 n ASP 43 Cb 0.69 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2dn4 n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dn4 s LEU 44 N -7.02 4.34 0.10 0.64 1.43 0.27 -2.62 118.68 115.81 2dn4 s LEU 44 Ca -0.11 -0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 2dn4 s LEU 44 Cb 0.03 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.54 2dn4 s LEU 44 CO 0.15 -0.70 0.79 -0.72 0.23 0.00 0.00 176.35 176.11 2dn4 s TYR 45 N 2.82 -0.36 0.03 0.29 -0.85 -1.12 -3.88 117.35 114.28 2dn4 s TYR 45 Ca 0.24 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 2dn4 s TYR 45 Cb -0.14 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 2dn4 s TYR 45 CO 0.17 -0.75 0.11 0.08 -1.52 0.00 0.00 175.55 173.64 2dn4 s VAL 46 N -3.42 4.87 0.38 -3.49 1.01 -1.26 -1.53 120.40 116.96 2dn4 s VAL 46 Ca 0.05 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2dn4 s VAL 46 Cb -0.02 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2dn4 s VAL 46 CO -0.07 0.25 0.20 -0.62 0.00 0.00 0.00 175.10 174.87 2dn4 n GLU 47 N 0.82 0.51 -0.91 2.72 1.02 0.50 -4.81 120.64 120.48 2dn4 n GLU 47 Ca -0.10 -3.43 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 2dn4 n GLU 47 Cb 0.52 2.24 0.00 0.00 -0.02 0.00 0.00 31.44 34.18 2dn4 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dn4 n GLY 48 N -0.77 0.71 3.77 0.62 0.00 -1.25 0.10 105.19 108.37 2dn4 n GLY 48 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dn4 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dn4 s LEU 49 N 0.00 3.48 1.09 0.99 1.43 -1.26 -2.68 118.68 121.73 2dn4 s LEU 49 Ca 0.00 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.01 2dn4 s LEU 49 Cb 0.00 -4.56 0.25 0.00 0.03 0.00 0.00 46.19 41.91 2dn4 s LEU 49 CO 0.00 -1.58 1.23 -2.16 0.23 0.00 0.00 176.35 174.06 2dn4 s PRO 50 N -3.86 -0.37 0.21 1.29 0.04 -1.26 -4.99 135.00 126.06 2dn4 s PRO 50 Ca 0.69 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 2dn4 s PRO 50 Cb -0.22 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2dn4 s PRO 50 CO 0.38 -3.11 1.00 -1.21 0.04 0.00 0.00 177.00 174.11 2dn4 s GLU 51 N -5.69 4.74 -0.89 4.56 2.02 -1.26 -3.32 118.70 118.86 2dn4 s GLU 51 Ca 0.73 1.58 -0.00 0.00 0.02 0.00 0.00 54.97 57.30 2dn4 s GLU 51 Cb -0.06 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2dn4 s GLU 51 CO 0.55 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.55 2dn4 n GLY 52 N 1.72 -0.06 2.86 -1.39 0.00 -1.26 -4.99 105.19 102.06 2dn4 n GLY 52 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 2dn4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dn4 s ILE 53 N -2.52 -0.52 0.00 -0.61 1.01 -1.21 -5.09 121.20 112.26 2dn4 s ILE 53 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2dn4 s ILE 53 Cb -0.00 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2dn4 s ILE 53 CO 0.00 -0.39 0.00 -0.81 0.00 0.00 0.00 174.94 173.74 2dn4 n PRO 54 N 4.95 0.68 -3.62 2.79 -0.04 -1.26 -4.27 135.00 134.22 2dn4 n PRO 54 Ca 0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 2dn4 n PRO 54 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.87 2dn4 n PRO 54 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dn4 s PHE 55 N -0.21 3.63 0.16 0.54 5.36 -1.26 -4.99 117.98 121.21 2dn4 s PHE 55 Ca 0.00 -2.70 0.00 0.00 -0.96 0.00 0.00 56.93 53.27 2dn4 s PHE 55 Cb 0.00 -3.33 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 2dn4 s PHE 55 CO 0.00 -0.84 0.05 1.03 -1.46 0.00 0.00 175.22 174.00 2dn4 s ARG 56 N -0.47 1.06 -0.15 10.12 1.81 -1.26 -5.01 118.95 125.05 2dn4 s ARG 56 Ca 0.21 -1.52 -0.34 0.00 -1.72 0.00 0.00 55.73 52.36 2dn4 s ARG 56 Cb -0.14 0.03 -0.16 0.00 -0.45 0.00 0.00 34.95 34.22 2dn4 s ARG 56 CO -0.07 -0.23 1.02 0.54 -0.68 0.00 0.00 175.30 175.88 2dn4 n ARG 57 N -0.19 0.00 0.00 3.54 1.74 -1.26 -4.74 116.66 115.74 2dn4 n ARG 57 Ca -0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.14 2dn4 n ARG 57 Cb 0.64 -1.20 0.61 0.00 -1.02 0.00 0.00 32.46 31.49 2dn4 n ARG 57 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2dn4 n PRO 58 N 1.96 0.75 -0.20 5.56 -0.04 -1.26 -2.18 135.00 139.60 2dn4 n PRO 58 Ca 0.19 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2dn4 n PRO 58 Cb 0.02 -1.43 0.26 0.00 -0.04 0.00 0.00 33.50 32.31 2dn4 n PRO 58 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn4 n SER 59 N -0.93 3.05 0.00 3.54 3.41 -1.26 -3.86 113.62 117.57 2dn4 n SER 59 Ca 0.15 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2dn4 n SER 59 Cb 0.07 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2dn4 n SER 59 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2dn4 n THR 60 N 1.21 0.00 -2.57 6.66 5.66 -0.93 -5.05 114.28 119.26 2dn4 n THR 60 Ca 0.19 -0.42 -0.30 0.00 -3.05 0.00 0.00 64.05 60.47 2dn4 n THR 60 Cb 0.53 1.10 -0.02 0.00 -1.55 0.00 0.00 70.33 70.39 2dn4 n THR 60 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2dn4 s TYR 61 N -0.30 3.52 0.75 1.09 2.02 -1.24 -5.07 117.35 118.12 2dn4 s TYR 61 Ca 0.00 1.07 -0.11 0.00 -0.37 0.00 0.00 57.07 57.66 2dn4 s TYR 61 Cb 0.00 -2.49 0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2dn4 s TYR 61 CO 0.00 -0.29 1.09 0.20 -1.57 0.00 0.00 175.55 174.98 2dn4 s GLY 62 N -3.60 1.63 0.21 0.71 0.00 -1.26 -4.80 107.32 100.21 2dn4 s GLY 62 Ca 0.52 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 2dn4 s GLY 62 CO 0.39 0.20 1.82 -2.22 0.00 0.00 0.00 173.10 173.29 2dn4 h ILE 63 N -0.89 1.02 -0.01 0.90 2.04 -1.99 0.24 117.51 118.82 2dn4 h ILE 63 Ca -0.46 -0.26 -0.18 0.00 1.00 0.00 0.00 64.86 64.97 2dn4 h ILE 63 Cb 1.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2dn4 h ILE 63 CO 0.60 0.14 -0.79 1.55 0.00 0.00 0.00 178.15 179.64 2dn4 h PRO 64 N 0.74 0.16 -0.48 2.37 0.13 -2.00 -2.61 132.00 130.32 2dn4 h PRO 64 Ca 0.28 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2dn4 h PRO 64 Cb 0.11 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 2dn4 h PRO 64 CO -0.15 0.87 0.07 0.00 -0.23 0.00 0.00 178.00 178.56 2dn4 h ARG 65 N 0.10 0.80 0.16 0.86 3.08 -1.69 -2.82 114.38 114.86 2dn4 h ARG 65 Ca -0.03 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 2dn4 h ARG 65 Cb 1.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2dn4 h ARG 65 CO 0.12 0.81 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.68 2dn4 h LEU 66 N 0.66 -0.19 -1.00 3.04 3.38 -0.56 -2.77 115.31 117.88 2dn4 h LEU 66 Ca 0.14 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2dn4 h LEU 66 Cb 0.40 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 2dn4 h LEU 66 CO 0.01 0.05 -0.55 -0.33 0.09 0.00 0.00 178.44 177.72 2dn4 h GLU 67 N -0.43 -0.00 -0.45 1.13 5.08 -1.39 0.43 114.58 118.95 2dn4 h GLU 67 Ca -0.02 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2dn4 h GLU 67 Cb 0.33 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 2dn4 h GLU 67 CO 0.04 -0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.87 2dn4 h ARG 68 N -0.00 -0.08 -0.93 2.33 3.08 -1.45 0.67 114.38 117.99 2dn4 h ARG 68 Ca 0.20 0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.50 2dn4 h ARG 68 Cb 0.45 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 2dn4 h ARG 68 CO -0.95 -0.05 0.65 0.82 -1.07 0.00 0.00 179.97 179.37 2dn4 h ILE 69 N -0.08 0.58 0.00 2.04 2.04 0.06 1.76 117.51 123.91 2dn4 h ILE 69 Ca 0.22 -0.06 -0.21 0.00 1.00 0.00 0.00 64.86 65.81 2dn4 h ILE 69 Cb 0.41 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2dn4 h ILE 69 CO -0.50 0.03 -1.03 -0.07 0.00 0.00 0.00 178.15 176.58 2dn4 h LEU 70 N 0.17 0.00 0.00 1.44 3.38 0.21 -1.92 115.31 118.59 2dn4 h LEU 70 Ca 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 2dn4 h LEU 70 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2dn4 h LEU 70 CO -0.09 0.97 -0.17 -0.07 0.09 0.00 0.00 178.44 179.16 2dn4 h LEU 71 N 0.00 0.00 -1.22 1.67 3.38 0.50 -3.01 115.31 116.64 2dn4 h LEU 71 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dn4 h LEU 71 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2dn4 h LEU 71 CO 0.12 0.08 -0.23 0.00 0.09 0.00 0.00 178.44 178.49 2dn4 n ALA 72 N -2.13 3.02 -0.29 1.53 0.00 0.50 -4.32 120.51 118.83 2dn4 n ALA 72 Ca 0.03 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 52.99 2dn4 n ALA 72 Cb 0.56 -0.89 0.28 0.00 0.00 0.00 0.00 19.45 19.40 2dn4 n ALA 72 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2dn4 h LYS 73 N 2.97 0.29 -0.06 0.00 2.10 -1.20 2.28 116.57 122.95 2dn4 h LYS 73 Ca 0.00 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2dn4 h LYS 73 Cb 0.77 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2dn4 h LYS 73 CO 0.00 0.19 0.27 0.93 -2.00 0.00 0.00 179.45 178.84 2dn4 h GLU 74 N 0.30 0.00 0.00 0.07 5.08 -1.80 -1.60 114.58 116.62 2dn4 h GLU 74 Ca 0.53 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.64 2dn4 h GLU 74 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2dn4 h GLU 74 CO -0.58 0.00 -1.94 0.54 -1.00 0.00 0.00 179.01 176.03 2dn4 n ARG 75 N -3.09 0.82 -1.28 2.33 1.74 0.65 -5.02 116.66 112.81 2dn4 n ARG 75 Ca -0.01 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 2dn4 n ARG 75 Cb 0.34 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2dn4 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2dn4 n ILE 76 N -2.85 1.37 -3.58 0.55 5.41 0.50 -3.93 119.36 116.82 2dn4 n ILE 76 Ca -0.27 -0.47 -0.14 0.00 1.00 0.00 0.00 62.75 62.86 2dn4 n ILE 76 Cb 0.85 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.71 2dn4 n ILE 76 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2dn4 s ARG 77 N -0.95 0.84 -0.37 0.38 3.52 0.29 -4.79 118.95 117.87 2dn4 s ARG 77 Ca 0.59 0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 56.66 2dn4 s ARG 77 Cb -0.77 0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.08 2dn4 s ARG 77 CO 0.56 -0.19 0.15 -0.06 -0.81 0.00 0.00 175.30 174.94 2dn4 s PHE 78 N -0.46 3.32 -0.46 5.12 0.40 -1.26 0.19 117.98 124.83 2dn4 s PHE 78 Ca -0.04 -1.61 -0.25 0.00 -0.60 0.00 0.00 56.93 54.42 2dn4 s PHE 78 Cb -0.02 -2.57 0.03 0.00 0.51 0.00 0.00 43.02 40.96 2dn4 s PHE 78 CO 0.03 -0.80 0.92 0.08 0.70 0.00 0.00 175.22 176.16 2dn4 s VAL 79 N 1.36 4.48 -1.02 -0.44 1.01 -0.58 -4.83 120.40 120.38 2dn4 s VAL 79 Ca 0.01 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2dn4 s VAL 79 Cb -0.21 -4.43 0.32 0.00 0.00 0.00 0.00 36.38 32.06 2dn4 s VAL 79 CO 0.01 -0.83 1.80 -0.38 0.00 0.00 0.00 175.10 175.70 2dn4 n ILE 80 N 6.41 6.03 -0.22 2.22 2.08 -1.26 -2.78 119.36 131.84 2dn4 n ILE 80 Ca 0.06 -5.98 -0.09 0.00 0.56 0.00 0.00 62.75 57.30 2dn4 n ILE 80 Cb 0.48 -1.56 -0.04 0.00 -0.75 0.00 0.00 39.64 37.77 2dn4 n ILE 80 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2dn4 h LYS 81 N 4.20 -0.22 -4.37 0.38 1.57 -1.86 -3.28 116.57 112.99 2dn4 h LYS 81 Ca 0.52 0.01 -0.73 0.00 -1.87 0.00 0.00 60.65 58.59 2dn4 h LYS 81 Cb 0.33 0.05 -0.23 0.00 0.08 0.00 0.00 32.23 32.46 2dn4 h LYS 81 CO 1.17 -0.14 -0.37 0.15 -0.57 0.00 0.00 179.45 179.69 2dn4 s LYS 82 N -5.79 2.92 -0.05 3.15 1.02 -1.26 -4.91 119.74 114.81 2dn4 s LYS 82 Ca -0.14 -1.30 -0.13 0.00 0.02 0.00 0.00 55.97 54.42 2dn4 s LYS 82 Cb 0.13 -4.04 -0.30 0.00 -0.52 0.00 0.00 37.83 33.09 2dn4 s LYS 82 CO 0.65 -0.96 0.67 1.25 -0.92 0.00 0.00 175.35 176.05 2dn4 h HIS 83 N 8.67 0.68 -0.72 3.18 2.76 -1.96 -3.30 115.15 124.46 2dn4 h HIS 83 Ca -0.27 -0.50 0.21 0.00 -2.20 0.00 0.00 60.37 57.61 2dn4 h HIS 83 Cb 1.11 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.01 2dn4 h HIS 83 CO 0.62 1.64 0.60 1.05 -1.30 0.00 0.00 177.93 180.54 2dn4 h GLU 84 N 0.02 0.00 0.00 5.26 4.11 -1.93 1.29 114.58 123.33 2dn4 h GLU 84 Ca -0.33 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.05 2dn4 h GLU 84 Cb 2.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2dn4 h GLU 84 CO 0.16 0.00 -0.25 -0.07 0.07 0.00 0.00 179.01 178.92 2dn4 h LEU 85 N 0.00 0.00 -5.33 3.06 3.38 -1.98 -2.81 115.31 111.63 2dn4 h LEU 85 Ca 0.34 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.55 2dn4 h LEU 85 Cb 1.54 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 42.00 2dn4 h LEU 85 CO -0.00 0.25 0.87 0.18 0.09 0.00 0.00 178.44 179.83 2dn4 n LEU 86 N -4.01 7.18 -4.55 1.67 4.77 0.44 -4.94 117.00 117.55 2dn4 n LEU 86 Ca -0.02 -5.06 -0.40 0.00 -0.03 0.00 0.00 56.01 50.50 2dn4 n LEU 86 Cb 0.32 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 2dn4 n LEU 86 CO 0.36 1.90 1.31 0.21 -1.33 0.00 0.00 177.39 179.83 2dn4 s ASN 87 N -1.42 6.14 -0.29 -1.43 3.84 -1.06 -4.85 114.94 115.87 2dn4 s ASN 87 Ca 0.48 -0.70 -0.01 0.00 0.21 0.00 0.00 52.86 52.84 2dn4 s ASN 87 Cb 0.36 -2.56 0.19 0.00 -0.55 0.00 0.00 41.25 38.69 2dn4 s ASN 87 CO -0.31 -1.83 0.75 -0.55 -2.79 0.00 0.00 177.10 172.38 2dn4 s SER 88 N 4.67 -1.17 -0.09 -4.21 0.15 -1.26 -5.04 113.70 106.75 2dn4 s SER 88 Ca 0.43 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.33 2dn4 s SER 88 Cb -0.06 1.80 -0.05 0.00 -1.71 0.00 0.00 66.02 66.00 2dn4 s SER 88 CO 0.07 -0.21 -0.11 1.07 1.20 0.00 0.00 173.24 175.26 2dn4 n THR 89 N 5.35 0.53 -3.19 6.45 5.66 -1.26 -5.08 114.28 122.73 2dn4 n THR 89 Ca 0.04 -0.16 -0.17 0.00 -3.05 0.00 0.00 64.05 60.71 2dn4 n THR 89 Cb 0.54 -1.29 0.02 0.00 -1.55 0.00 0.00 70.33 68.05 2dn4 n THR 89 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2dn4 n ARG 90 N -3.15 -1.70 -3.68 1.09 0.00 -1.26 -4.94 116.66 103.02 2dn4 n ARG 90 Ca -0.18 1.53 -0.37 0.00 -0.00 0.00 0.00 57.85 58.82 2dn4 n ARG 90 Cb 0.65 -2.76 -0.06 0.00 0.00 0.00 0.00 32.46 30.29 2dn4 n ARG 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2dn4 s GLU 91 N -1.91 3.69 -0.30 -0.14 -1.05 -1.26 -5.07 118.70 112.67 2dn4 s GLU 91 Ca 0.19 0.16 -0.20 0.00 -0.15 0.00 0.00 54.97 54.97 2dn4 s GLU 91 Cb -0.03 -3.20 0.20 0.00 -0.44 0.00 0.00 34.13 30.66 2dn4 s GLU 91 CO 0.57 0.73 1.31 0.34 0.95 0.00 0.00 175.26 179.16 2dn4 s ASP 92 N -1.07 -0.10 -0.18 0.83 -1.08 -1.26 -5.15 116.67 108.66 2dn4 s ASP 92 Ca 0.20 0.18 -0.04 0.00 -0.52 0.00 0.00 52.55 52.36 2dn4 s ASP 92 Cb -0.14 0.66 0.09 0.00 -1.46 0.00 0.00 42.92 42.07 2dn4 s ASP 92 CO 0.09 -0.03 0.28 -0.22 0.52 0.00 0.00 175.17 175.82 2dn4 s LEU 93 N 0.62 -0.33 0.09 -1.34 2.96 -1.26 -5.15 118.68 114.28 2dn4 s LEU 93 Ca -0.02 0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.29 2dn4 s LEU 93 Cb -0.04 0.73 -0.04 0.00 0.50 0.00 0.00 46.19 47.35 2dn4 s LEU 93 CO -0.12 -0.27 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.07 2dn4 s SER 94 N 2.43 4.27 -0.32 3.68 0.01 -1.26 -5.10 113.70 117.41 2dn4 s SER 94 Ca 0.05 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.91 2dn4 s SER 94 Cb -0.14 -0.78 0.19 0.00 0.21 0.00 0.00 66.02 65.50 2dn4 s SER 94 CO -0.11 0.19 0.74 -0.83 0.41 0.00 0.00 173.24 173.64 2dn4 s GLY 95 N -2.08 -1.21 -0.42 3.44 0.00 -1.26 -5.12 107.32 100.66 2dn4 s GLY 95 Ca 0.20 1.16 -0.29 0.00 0.00 0.00 0.00 44.72 45.79 2dn4 s GLY 95 CO 0.12 3.83 1.42 2.56 0.00 0.00 0.00 173.10 181.03 2dn4 s PRO 96 N 2.60 3.54 -0.49 2.90 0.04 -1.26 -4.88 135.00 137.46 2dn4 s PRO 96 Ca 0.16 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.15 2dn4 s PRO 96 Cb -0.06 -4.04 0.19 0.00 0.04 0.00 0.00 34.50 30.64 2dn4 s PRO 96 CO -0.21 -1.61 0.75 0.45 0.04 0.00 0.00 177.00 176.43 2dn4 s SER 97 N 4.01 -1.34 0.58 6.66 0.15 -1.26 -5.13 113.70 117.36 2dn4 s SER 97 Ca 0.61 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2dn4 s SER 97 Cb -0.13 1.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 2dn4 s SER 97 CO 0.32 -0.06 0.00 -0.24 1.20 0.00 0.00 173.24 174.46 2dn4 n SER 98 N 3.13 -7.89 0.00 5.45 2.88 -1.26 -5.34 113.62 110.60 2dn4 n SER 98 Ca 0.16 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 59.03 2dn4 n SER 98 Cb 0.57 -4.87 0.00 0.00 -0.75 0.00 0.00 64.21 59.16 2dn4 n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42