#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 -6.31 -2.10 1.61 7.64 -1.26 -4.81 113.62 108.39 2dn4 n SER 2 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2dn4 n SER 2 Cb 0.00 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 2dn4 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dn4 n SER 3 N -0.03 -8.83 0.00 6.43 2.88 -1.26 -4.94 113.62 107.87 2dn4 n SER 3 Ca 0.05 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 59.08 2dn4 n SER 3 Cb 0.21 -4.92 0.00 0.00 -0.75 0.00 0.00 64.21 58.75 2dn4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn4 n GLY 4 N 1.78 0.90 3.70 0.46 0.00 -1.26 -5.11 105.19 105.66 2dn4 n GLY 4 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 1.65 -2.48 1.61 7.64 -1.26 -4.44 113.62 116.35 2dn4 n SER 5 Ca 0.00 0.80 -0.03 0.00 1.01 0.00 0.00 58.87 60.66 2dn4 n SER 5 Cb 0.00 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 61.67 2dn4 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn4 n SER 6 N -1.69 -5.22 -4.19 6.43 7.64 -1.26 -4.99 113.62 110.33 2dn4 n SER 6 Ca 0.15 1.64 -0.21 0.00 1.01 0.00 0.00 58.87 61.47 2dn4 n SER 6 Cb 0.48 -5.28 -0.13 0.00 -1.01 0.00 0.00 64.21 58.27 2dn4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn4 s GLY 7 N -0.63 0.94 0.03 0.23 0.00 -1.26 -5.02 107.32 101.60 2dn4 s GLY 7 Ca -0.14 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 2dn4 s GLY 7 CO 0.38 -0.98 1.10 1.41 0.00 0.00 0.00 173.10 175.01 2dn4 h LEU 8 N 4.58 -0.38 -0.94 0.66 3.38 -1.96 1.04 115.31 121.68 2dn4 h LEU 8 Ca -0.41 0.06 0.15 0.00 0.09 0.00 0.00 57.88 57.76 2dn4 h LEU 8 Cb 1.18 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.94 2dn4 h LEU 8 CO 0.42 -0.05 -0.36 -1.14 0.09 0.00 0.00 178.44 177.40 2dn4 n ARG 9 N -3.35 -0.21 -0.14 1.13 0.63 -1.26 0.15 116.66 113.61 2dn4 n ARG 9 Ca 0.00 1.45 -0.05 0.00 -0.92 0.00 0.00 57.85 58.33 2dn4 n ARG 9 Cb 0.05 -2.15 0.03 0.00 0.45 0.00 0.00 32.46 30.84 2dn4 n ARG 9 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2dn4 h LYS 10 N 0.00 0.41 -0.02 -0.14 3.64 -1.16 1.52 116.57 120.82 2dn4 h LYS 10 Ca 0.34 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2dn4 h LYS 10 Cb 0.57 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2dn4 h LYS 10 CO -0.94 0.27 -0.21 1.96 -2.27 0.00 0.00 179.45 178.26 2dn4 h GLN 11 N 0.42 -0.31 -0.33 1.90 4.20 0.94 0.23 115.11 122.17 2dn4 h GLN 11 Ca 0.19 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 2dn4 h GLN 11 Cb 0.11 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2dn4 h GLN 11 CO -0.15 -0.21 0.02 0.28 -0.67 0.00 0.00 178.83 178.11 2dn4 h VAL 12 N -0.32 1.25 -0.39 -0.54 2.07 0.31 0.41 116.25 119.04 2dn4 h VAL 12 Ca 0.07 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2dn4 h VAL 12 Cb 0.41 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 2dn4 h VAL 12 CO -0.21 0.30 -0.26 -0.33 0.02 0.00 0.00 177.57 177.08 2dn4 h GLU 13 N 0.38 -0.19 -0.59 1.57 5.08 0.27 1.51 114.58 122.60 2dn4 h GLU 13 Ca 0.10 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2dn4 h GLU 13 Cb 0.41 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2dn4 h GLU 13 CO 0.01 -0.13 -0.02 0.93 -1.00 0.00 0.00 179.01 178.81 2dn4 h GLU 14 N -0.20 1.06 0.80 2.33 4.39 -0.45 -2.88 114.58 119.62 2dn4 h GLU 14 Ca 0.18 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2dn4 h GLU 14 Cb 0.49 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2dn4 h GLU 14 CO -0.51 1.04 -0.39 1.25 -1.16 0.00 0.00 179.01 179.25 2dn4 h LEU 15 N 0.96 -0.91 -0.88 1.33 5.85 0.83 -0.42 115.31 122.06 2dn4 h LEU 15 Ca 0.17 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2dn4 h LEU 15 Cb 0.57 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.72 2dn4 h LEU 15 CO 0.03 -0.62 -0.43 0.49 -0.34 0.00 0.00 178.44 177.58 2dn4 n PHE 16 N -5.08 -0.17 0.14 1.25 3.01 0.50 0.05 117.46 117.16 2dn4 n PHE 16 Ca -0.13 1.09 -0.13 0.00 1.01 0.00 0.00 57.45 59.29 2dn4 n PHE 16 Cb 0.42 -0.71 -0.06 0.00 -0.01 0.00 0.00 39.48 39.13 2dn4 n PHE 16 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dn4 h GLU 17 N 0.00 -0.43 -0.48 -1.08 5.08 -1.46 -2.72 114.58 113.49 2dn4 h GLU 17 Ca 0.23 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2dn4 h GLU 17 Cb 0.45 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2dn4 h GLU 17 CO -0.85 -0.29 -0.29 0.54 -1.00 0.00 0.00 179.01 177.13 2dn4 n ARG 18 N -5.34 -0.21 -0.28 2.33 1.74 0.11 0.20 116.66 115.20 2dn4 n ARG 18 Ca -0.08 1.17 -0.11 0.00 -0.77 0.00 0.00 57.85 58.07 2dn4 n ARG 18 Cb 0.25 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 2dn4 n ARG 18 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dn4 h LYS 19 N 0.00 -0.18 0.06 5.56 1.79 -1.13 1.42 116.57 124.09 2dn4 h LYS 19 Ca 0.08 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 2dn4 h LYS 19 Cb 0.20 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2dn4 h LYS 19 CO -0.45 -0.12 -0.26 -0.92 -1.08 0.00 0.00 179.45 176.61 2dn4 h TYR 20 N -0.19 -0.70 -0.95 -1.35 3.20 -0.39 0.29 116.97 116.88 2dn4 h TYR 20 Ca 0.14 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.19 2dn4 h TYR 20 Cb 0.52 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 39.00 2dn4 h TYR 20 CO -0.86 -0.36 0.60 0.00 -1.64 0.00 0.00 178.16 175.91 2dn4 h ALA 21 N 0.34 1.77 -0.53 1.82 0.00 0.40 0.17 119.26 123.22 2dn4 h ALA 21 Ca 0.05 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2dn4 h ALA 21 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2dn4 h ALA 21 CO -0.19 -0.05 -0.12 1.96 0.00 0.00 0.00 179.25 180.85 2dn4 h GLN 22 N 0.75 1.02 0.00 0.00 1.08 0.32 1.87 115.11 120.15 2dn4 h GLN 22 Ca 0.50 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2dn4 h GLN 22 Cb 0.77 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2dn4 h GLN 22 CO -0.26 1.07 0.00 0.00 -0.95 0.00 0.00 178.83 178.69 2dn4 h ALA 23 N 0.92 1.00 -0.00 3.87 0.00 0.24 0.01 119.26 125.30 2dn4 h ALA 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dn4 h ALA 23 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dn4 h ALA 23 CO 0.05 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.74 2dn4 n ILE 24 N -2.89 0.70 -3.59 0.00 -5.35 -0.59 -4.99 119.36 102.65 2dn4 n ILE 24 Ca -0.02 -0.85 -0.24 0.00 -0.27 0.00 0.00 62.75 61.38 2dn4 n ILE 24 Cb 0.13 0.65 0.02 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 -0.34 -1.29 -4.24 6.28 5.02 0.50 -4.96 118.16 119.14 2dn4 n LYS 25 Ca 0.00 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.68 2dn4 n LYS 25 Cb 0.18 -4.00 -0.15 0.00 -0.02 0.00 0.00 35.03 31.04 2dn4 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dn4 s ALA 26 N -3.26 2.64 -0.35 7.82 0.00 0.51 -4.96 121.76 124.16 2dn4 s ALA 26 Ca 0.27 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2dn4 s ALA 26 Cb -0.10 -1.43 0.46 0.00 0.00 0.00 0.00 23.12 22.05 2dn4 s ALA 26 CO 0.85 -0.20 1.51 0.36 0.00 0.00 0.00 175.76 178.29 2dn4 n LYS 27 N 4.35 2.30 -4.18 0.00 2.85 -1.26 -4.57 118.16 117.65 2dn4 n LYS 27 Ca -0.19 -1.97 -0.12 0.00 -1.05 0.00 0.00 58.31 54.98 2dn4 n LYS 27 Cb 0.51 -1.83 -0.10 0.00 -0.65 0.00 0.00 35.03 32.96 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dn4 s GLY 28 N -0.49 1.35 -0.23 2.58 0.00 -1.26 -5.12 107.32 104.15 2dn4 s GLY 28 Ca 0.36 -1.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.16 2dn4 s GLY 28 CO 0.08 -1.35 1.32 2.56 0.00 0.00 0.00 173.10 175.70 2dn4 s PRO 29 N -4.14 4.04 0.32 2.90 0.04 -1.26 -4.93 135.00 131.96 2dn4 s PRO 29 Ca 0.37 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.96 2dn4 s PRO 29 Cb 0.07 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2dn4 s PRO 29 CO 0.11 -0.96 0.14 0.14 0.04 0.00 0.00 177.00 176.47 2dn4 s VAL 30 N 4.08 3.25 -0.01 -0.36 -7.23 -1.26 -5.13 120.40 113.74 2dn4 s VAL 30 Ca 0.57 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2dn4 s VAL 30 Cb -0.20 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2dn4 s VAL 30 CO 0.20 -0.23 0.11 -0.89 -0.31 0.00 0.00 175.10 173.98 2dn4 s THR 31 N -2.37 4.95 -0.28 5.32 2.01 -1.26 -4.86 115.64 119.14 2dn4 s THR 31 Ca 0.37 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 2dn4 s THR 31 Cb -0.04 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2dn4 s THR 31 CO 0.23 0.37 0.18 -0.63 -0.69 0.00 0.00 174.62 174.07 2dn4 s ILE 32 N -1.21 5.11 -0.54 1.82 1.01 -1.26 -5.04 121.20 121.10 2dn4 s ILE 32 Ca 0.23 0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 2dn4 s ILE 32 Cb -0.12 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2dn4 s ILE 32 CO 0.14 0.23 1.49 -2.16 0.00 0.00 0.00 174.94 174.63 2dn4 s PRO 33 N 1.73 3.26 0.10 2.79 0.04 -1.26 -4.85 135.00 136.81 2dn4 s PRO 33 Ca 0.07 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 2dn4 s PRO 33 Cb -0.16 -4.15 -0.19 0.00 0.04 0.00 0.00 34.50 30.04 2dn4 s PRO 33 CO 0.10 -1.98 1.22 1.88 0.04 0.00 0.00 177.00 178.26 2dn4 h TYR 34 N 11.54 0.47 0.02 0.56 0.05 -1.99 -3.15 116.97 124.46 2dn4 h TYR 34 Ca -0.27 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.20 2dn4 h TYR 34 Cb 1.11 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2dn4 h TYR 34 CO 1.02 1.19 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.31 2dn4 h PRO 35 N 0.11 -0.03 -0.82 4.88 0.13 -1.99 -2.76 132.00 131.53 2dn4 h PRO 35 Ca -0.10 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.15 2dn4 h PRO 35 Cb 1.79 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.80 2dn4 h PRO 35 CO 0.18 -0.02 -0.34 1.28 -0.23 0.00 0.00 178.00 178.88 2dn4 n LEU 36 N -2.23 -0.57 -0.11 1.56 4.77 -1.26 0.15 117.00 119.31 2dn4 n LEU 36 Ca -0.00 1.43 -0.05 0.00 -0.03 0.00 0.00 56.01 57.36 2dn4 n LEU 36 Cb 0.01 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 2dn4 n LEU 36 CO 0.01 -1.27 0.75 -0.26 -1.33 0.00 0.00 177.39 175.28 2dn4 h PHE 37 N 0.00 -0.37 -0.90 -1.77 -1.00 -1.68 0.36 116.94 111.58 2dn4 h PHE 37 Ca 0.27 0.04 0.22 0.00 2.81 0.00 0.00 57.97 61.31 2dn4 h PHE 37 Cb 0.47 0.22 -0.06 0.00 3.61 0.00 0.00 35.95 40.20 2dn4 h PHE 37 CO -0.73 -0.23 0.61 1.96 -1.61 0.00 0.00 178.31 178.30 2dn4 h GLN 38 N -0.08 0.26 0.00 1.51 1.08 0.16 1.02 115.11 119.07 2dn4 h GLN 38 Ca 0.19 -0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.21 2dn4 h GLN 38 Cb 0.37 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 2dn4 h GLN 38 CO -0.44 0.17 -0.89 1.03 -0.95 0.00 0.00 178.83 177.75 2dn4 h SER 39 N 0.27 0.00 -2.03 1.46 0.87 0.73 -3.35 113.55 111.50 2dn4 h SER 39 Ca 0.46 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.47 2dn4 h SER 39 Cb 1.35 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.90 2dn4 h SER 39 CO -0.13 0.76 -0.83 1.41 -0.53 0.00 0.00 176.83 177.50 2dn4 n HIS 40 N -3.23 2.78 0.57 2.24 8.25 0.24 -4.82 115.22 121.25 2dn4 n HIS 40 Ca -0.01 -3.76 0.11 0.00 -0.26 0.00 0.00 57.72 53.79 2dn4 n HIS 40 Cb 0.86 -0.41 0.44 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.13 0.71 0.10 1.59 0.24 0.29 0.13 118.33 121.26 2dn4 n VAL 41 Ca 0.29 0.11 0.01 0.00 -2.04 0.00 0.00 64.34 62.71 2dn4 n VAL 41 Cb 0.52 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.87 -3.40 114.58 121.72 2dn4 h GLU 42 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2dn4 h GLU 42 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2dn4 h GLU 42 CO 0.00 0.47 -1.12 -0.25 -1.00 0.00 0.00 179.01 177.11 2dn4 n ASP 43 N -3.14 1.40 -4.53 1.42 9.92 -0.91 -4.93 116.55 115.79 2dn4 n ASP 43 Ca -0.01 0.23 -0.42 0.00 -0.53 0.00 0.00 54.79 54.05 2dn4 n ASP 43 Cb 0.78 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 40.65 2dn4 n ASP 43 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dn4 s LEU 44 N -7.26 4.48 -0.04 0.64 1.43 0.34 -2.52 118.68 115.75 2dn4 s LEU 44 Ca -0.19 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 2dn4 s LEU 44 Cb 0.05 -2.61 0.08 0.00 0.03 0.00 0.00 46.19 43.74 2dn4 s LEU 44 CO 0.26 -0.60 0.71 -0.72 0.23 0.00 0.00 176.35 176.23 2dn4 s TYR 45 N 2.50 -0.61 0.07 0.29 -0.85 -1.19 -3.85 117.35 113.71 2dn4 s TYR 45 Ca 0.19 0.99 -0.03 0.00 -0.52 0.00 0.00 57.07 57.70 2dn4 s TYR 45 Cb -0.15 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.57 2dn4 s TYR 45 CO 0.15 -0.60 0.28 0.08 -1.52 0.00 0.00 175.55 173.94 2dn4 s VAL 46 N -1.43 5.29 0.35 -3.49 1.01 -1.26 -1.95 120.40 118.92 2dn4 s VAL 46 Ca -0.09 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2dn4 s VAL 46 Cb -0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2dn4 s VAL 46 CO 0.07 0.17 0.17 -0.62 0.00 0.00 0.00 175.10 174.89 2dn4 n GLU 47 N 0.47 0.54 -0.92 2.72 1.02 0.43 -4.81 120.64 120.09 2dn4 n GLU 47 Ca -0.06 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 2dn4 n GLU 47 Cb 0.52 1.94 0.00 0.00 -0.02 0.00 0.00 31.44 33.88 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 -0.56 0.72 3.77 0.62 0.00 -1.25 0.11 105.19 108.60 2dn4 n GLY 48 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.50 0.00 0.99 1.43 -1.26 -2.57 118.68 120.77 2dn4 s LEU 49 Ca 0.00 2.04 -0.04 0.00 -1.03 0.00 0.00 54.13 55.11 2dn4 s LEU 49 Cb 0.00 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.71 2dn4 s LEU 49 CO 0.00 -1.48 0.25 -0.81 0.23 0.00 0.00 176.35 174.54 2dn4 n PRO 50 N -2.06 -0.85 -3.08 1.29 -0.04 -1.26 -4.99 135.00 124.02 2dn4 n PRO 50 Ca 0.11 -0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 62.78 2dn4 n PRO 50 Cb 0.52 -0.31 -0.06 0.00 -0.04 0.00 0.00 33.50 33.61 2dn4 n PRO 50 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2dn4 s GLU 51 N -3.55 4.43 -0.92 0.54 2.12 -1.26 -3.74 118.70 116.33 2dn4 s GLU 51 Ca 0.15 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.46 2dn4 s GLU 51 Cb -0.01 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2dn4 s GLU 51 CO 0.11 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 2dn4 n GLY 52 N 1.97 -0.04 2.85 -1.50 0.00 -1.26 -4.99 105.19 102.22 2dn4 n GLY 52 Ca -0.06 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.53 -0.51 0.00 -0.61 1.01 -1.24 -5.10 121.20 112.23 2dn4 s ILE 53 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2dn4 s ILE 53 Cb 0.00 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2dn4 s ILE 53 CO 0.00 -0.41 0.00 -0.81 0.00 0.00 0.00 174.94 173.72 2dn4 n PRO 54 N 4.89 0.79 -3.61 2.79 -0.04 -1.26 -4.28 135.00 134.27 2dn4 n PRO 54 Ca 0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 2dn4 n PRO 54 Cb 0.48 0.00 -0.06 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 -0.14 3.79 0.19 0.54 5.36 -1.26 -4.99 117.98 121.47 2dn4 s PHE 55 Ca 0.00 -2.86 0.02 0.00 -0.96 0.00 0.00 56.93 53.12 2dn4 s PHE 55 Cb 0.00 -3.31 -0.05 0.00 -0.34 0.00 0.00 43.02 39.32 2dn4 s PHE 55 CO 0.00 -0.79 0.03 1.03 -1.46 0.00 0.00 175.22 174.02 2dn4 s ARG 56 N -0.94 1.17 -0.02 10.12 1.81 -1.26 -4.99 118.95 124.84 2dn4 s ARG 56 Ca 0.25 -1.58 -0.33 0.00 -1.72 0.00 0.00 55.73 52.35 2dn4 s ARG 56 Cb -0.11 -0.24 -0.16 0.00 -0.45 0.00 0.00 34.95 33.99 2dn4 s ARG 56 CO -0.10 -0.17 0.88 0.54 -0.68 0.00 0.00 175.30 175.77 2dn4 n ARG 57 N -0.29 0.00 0.00 3.54 1.74 -1.26 -4.74 116.66 115.65 2dn4 n ARG 57 Ca -0.05 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.12 2dn4 n ARG 57 Cb 0.64 -1.21 0.50 0.00 -1.02 0.00 0.00 32.46 31.37 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 1.30 0.75 -0.21 5.56 -0.04 -1.26 -2.21 135.00 138.89 2dn4 n PRO 58 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2dn4 n PRO 58 Cb 0.06 -1.36 0.26 0.00 -0.04 0.00 0.00 33.50 32.42 2dn4 n PRO 58 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dn4 n SER 59 N -0.86 3.16 0.00 3.54 7.64 -1.26 -3.88 113.62 121.96 2dn4 n SER 59 Ca 0.13 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.06 2dn4 n SER 59 Cb 0.06 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2dn4 n SER 59 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dn4 n THR 60 N 1.27 0.00 -3.13 0.44 -2.24 -0.94 -5.04 114.28 104.65 2dn4 n THR 60 Ca 0.19 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 2dn4 n THR 60 Cb 0.54 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 2dn4 n THR 60 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2dn4 s TYR 61 N -0.60 3.38 0.85 4.78 2.02 -1.25 -5.06 117.35 121.48 2dn4 s TYR 61 Ca 0.00 1.19 -0.11 0.00 -0.37 0.00 0.00 57.07 57.77 2dn4 s TYR 61 Cb 0.00 -2.51 0.10 0.00 -0.40 0.00 0.00 41.96 39.15 2dn4 s TYR 61 CO 0.00 0.08 1.09 0.20 -1.57 0.00 0.00 175.55 175.36 2dn4 s GLY 62 N -2.35 1.63 0.22 0.71 0.00 -1.26 -4.72 107.32 101.54 2dn4 s GLY 62 Ca 0.54 -0.03 -0.08 0.00 0.00 0.00 0.00 44.72 45.14 2dn4 s GLY 62 CO 0.19 0.42 1.80 -2.22 0.00 0.00 0.00 173.10 173.28 2dn4 h ILE 63 N -1.38 0.93 -0.02 0.90 2.04 -1.99 0.28 117.51 118.27 2dn4 h ILE 63 Ca -0.48 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 64.97 2dn4 h ILE 63 Cb 1.27 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2dn4 h ILE 63 CO 0.55 0.12 -0.80 1.55 0.00 0.00 0.00 178.15 179.57 2dn4 h PRO 64 N 0.67 0.19 -0.40 2.37 0.13 -2.00 -2.73 132.00 130.24 2dn4 h PRO 64 Ca 0.32 -0.19 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2dn4 h PRO 64 Cb 0.24 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 2dn4 h PRO 64 CO -0.21 0.89 0.11 0.00 -0.23 0.00 0.00 178.00 178.57 2dn4 h ARG 65 N 0.12 0.63 0.41 0.86 3.08 -1.62 -2.68 114.38 115.18 2dn4 h ARG 65 Ca -0.03 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2dn4 h ARG 65 Cb 1.40 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2dn4 h ARG 65 CO 0.12 0.64 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.40 2dn4 h LEU 66 N 0.50 -0.46 -0.86 3.04 3.38 -0.51 -2.71 115.31 117.69 2dn4 h LEU 66 Ca 0.13 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2dn4 h LEU 66 Cb 0.28 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 2dn4 h LEU 66 CO -0.00 -0.26 -0.51 -0.62 0.09 0.00 0.00 178.44 177.14 2dn4 n GLU 67 N -5.29 -0.38 -0.20 1.13 1.02 -1.03 -0.24 120.64 115.66 2dn4 n GLU 67 Ca -0.11 1.43 -0.06 0.00 -0.02 0.00 0.00 57.16 58.40 2dn4 n GLU 67 Cb 0.26 -2.10 -0.01 0.00 -0.02 0.00 0.00 31.44 29.56 2dn4 n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dn4 h ARG 68 N 0.00 -0.18 -1.04 3.49 3.08 -1.42 0.89 114.38 119.20 2dn4 h ARG 68 Ca 0.14 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.47 2dn4 h ARG 68 Cb 0.35 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.33 2dn4 h ARG 68 CO -0.81 -0.12 0.64 0.82 -1.07 0.00 0.00 179.97 179.43 2dn4 h ILE 69 N -0.19 0.48 -0.04 2.04 2.04 -0.28 1.87 117.51 123.43 2dn4 h ILE 69 Ca 0.21 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.75 2dn4 h ILE 69 Cb 0.56 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2dn4 h ILE 69 CO -0.68 0.08 -0.71 -0.07 0.00 0.00 0.00 178.15 176.77 2dn4 h LEU 70 N 0.45 0.27 -0.42 1.44 3.38 0.24 0.01 115.31 120.68 2dn4 h LEU 70 Ca 0.65 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.34 2dn4 h LEU 70 Cb 1.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2dn4 h LEU 70 CO -0.42 0.89 -0.46 -0.07 0.09 0.00 0.00 178.44 178.47 2dn4 h LEU 71 N 0.15 0.00 -0.93 1.67 3.38 0.63 -2.75 115.31 117.46 2dn4 h LEU 71 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dn4 h LEU 71 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2dn4 h LEU 71 CO 0.11 0.46 -0.19 0.00 0.09 0.00 0.00 178.44 178.91 2dn4 n ALA 72 N -2.26 2.95 -0.30 1.53 0.00 0.52 -4.27 120.51 118.69 2dn4 n ALA 72 Ca 0.01 -0.50 0.10 0.00 0.00 0.00 0.00 53.44 53.04 2dn4 n ALA 72 Cb 0.64 -1.03 0.23 0.00 0.00 0.00 0.00 19.45 19.29 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 2.26 0.09 -0.98 0.00 2.10 -0.68 2.11 116.57 121.48 2dn4 h LYS 73 Ca 0.00 -0.01 0.27 0.00 -2.00 0.00 0.00 60.65 58.91 2dn4 h LYS 73 Cb 0.62 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.88 2dn4 h LYS 73 CO 0.00 0.06 0.68 0.93 -2.00 0.00 0.00 179.45 179.12 2dn4 h GLU 74 N 0.10 0.14 0.07 0.07 5.08 -1.79 -0.84 114.58 117.40 2dn4 h GLU 74 Ca 0.50 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.48 2dn4 h GLU 74 Cb 0.97 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2dn4 h GLU 74 CO -0.75 0.09 -2.22 0.54 -1.00 0.00 0.00 179.01 175.68 2dn4 n ARG 75 N -4.36 0.71 -1.21 2.33 5.12 0.61 -4.97 116.66 114.90 2dn4 n ARG 75 Ca 0.21 0.21 -0.41 0.00 -1.93 0.00 0.00 57.85 55.93 2dn4 n ARG 75 Cb 0.95 -1.62 -0.02 0.00 -1.16 0.00 0.00 32.46 30.61 2dn4 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2dn4 n ILE 76 N -3.37 1.38 -3.61 0.55 5.41 0.41 -3.94 119.36 116.19 2dn4 n ILE 76 Ca -0.38 -0.44 -0.14 0.00 1.00 0.00 0.00 62.75 62.78 2dn4 n ILE 76 Cb 1.02 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.89 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 -0.89 0.85 -0.35 0.38 3.52 0.30 -4.79 118.95 117.97 2dn4 s ARG 77 Ca 0.55 0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 56.86 2dn4 s ARG 77 Cb -0.74 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.10 2dn4 s ARG 77 CO 0.52 -0.15 0.14 -0.06 -0.81 0.00 0.00 175.30 174.94 2dn4 s PHE 78 N -0.01 3.26 -0.12 5.12 0.40 -1.26 0.16 117.98 125.53 2dn4 s PHE 78 Ca -0.02 -1.29 -0.21 0.00 -0.60 0.00 0.00 56.93 54.81 2dn4 s PHE 78 Cb -0.04 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2dn4 s PHE 78 CO 0.02 -0.71 0.59 0.08 0.70 0.00 0.00 175.22 175.90 2dn4 s VAL 79 N 1.45 5.10 -0.72 -0.44 1.01 -0.82 -4.79 120.40 121.19 2dn4 s VAL 79 Ca -0.00 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.20 2dn4 s VAL 79 Cb -0.20 -3.92 0.18 0.00 0.00 0.00 0.00 36.38 32.45 2dn4 s VAL 79 CO 0.04 0.25 0.56 -0.38 0.00 0.00 0.00 175.10 175.57 2dn4 n ILE 80 N 3.95 1.90 0.02 2.22 2.08 -1.26 -3.17 119.36 125.09 2dn4 n ILE 80 Ca -0.04 -4.95 -0.12 0.00 0.56 0.00 0.00 62.75 58.21 2dn4 n ILE 80 Cb 0.51 -2.20 -0.07 0.00 -0.75 0.00 0.00 39.64 37.13 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 5.29 0.05 -5.11 0.38 1.79 -1.87 -3.40 116.57 113.70 2dn4 h LYS 81 Ca 0.16 -0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.97 2dn4 h LYS 81 Cb 0.74 -0.01 -0.27 0.00 -1.58 0.00 0.00 32.23 31.11 2dn4 h LYS 81 CO 0.75 0.12 -0.73 0.15 -1.08 0.00 0.00 179.45 178.66 2dn4 s LYS 82 N -5.83 3.39 -0.14 3.15 -0.14 -1.26 -5.00 119.74 113.90 2dn4 s LYS 82 Ca -0.14 -0.64 -0.08 0.00 -1.36 0.00 0.00 55.97 53.75 2dn4 s LYS 82 Cb 0.06 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 2dn4 s LYS 82 CO 0.67 -0.06 -0.06 0.45 -0.76 0.00 0.00 175.35 175.60 2dn4 h HIS 83 N 7.63 0.00 -0.98 3.18 3.86 -2.00 -3.37 115.15 123.47 2dn4 h HIS 83 Ca -0.37 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.11 2dn4 h HIS 83 Cb 1.17 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.46 2dn4 h HIS 83 CO 0.56 0.17 0.04 1.05 0.86 0.00 0.00 177.93 180.61 2dn4 h GLU 84 N -1.00 0.01 -0.90 2.45 4.11 -1.94 1.45 114.58 118.75 2dn4 h GLU 84 Ca -0.03 -0.00 0.25 0.00 0.07 0.00 0.00 59.36 59.65 2dn4 h GLU 84 Cb 0.46 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.56 2dn4 h GLU 84 CO -0.02 0.01 0.27 -0.07 0.07 0.00 0.00 179.01 179.27 2dn4 h LEU 85 N 0.01 0.05 0.45 3.06 3.38 -1.96 0.29 115.31 120.60 2dn4 h LEU 85 Ca 0.60 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.76 2dn4 h LEU 85 Cb 1.25 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2dn4 h LEU 85 CO -0.91 -0.16 -0.40 -0.07 0.09 0.00 0.00 178.44 176.98 2dn4 h LEU 86 N 0.21 -1.09-10.00 1.67 3.38 0.18 -3.43 115.31 106.24 2dn4 h LEU 86 Ca 0.58 0.08 -0.40 0.00 0.09 0.00 0.00 57.88 58.23 2dn4 h LEU 86 Cb 1.20 0.35 0.22 0.00 0.09 0.00 0.00 40.66 42.52 2dn4 h LEU 86 CO -0.66 -0.55 -0.14 0.59 0.09 0.00 0.00 178.44 177.77 2dn4 n ASN 87 N -4.87 -2.95 -2.16 -0.43 3.02 0.09 -4.72 115.26 103.24 2dn4 n ASN 87 Ca -0.10 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2dn4 n ASN 87 Cb 0.38 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2dn4 n SER 88 N -5.18 -8.56 0.00 6.41 2.88 -1.26 -4.94 113.62 102.97 2dn4 n SER 88 Ca 0.07 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 2dn4 n SER 88 Cb 0.57 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 2dn4 n SER 88 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2dn4 n THR 89 N 1.58 0.00 -4.08 2.46 -2.24 -1.26 -5.02 114.28 105.72 2dn4 n THR 89 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2dn4 n THR 89 Cb 0.00 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 2dn4 n THR 89 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dn4 n ARG 90 N -2.21 -0.76 -3.76 -0.78 0.00 -1.26 -4.85 116.66 103.04 2dn4 n ARG 90 Ca 0.00 0.12 -0.30 0.00 -0.00 0.00 0.00 57.85 57.67 2dn4 n ARG 90 Cb 0.00 -3.97 -0.15 0.00 -0.00 0.00 0.00 32.46 28.34 2dn4 n ARG 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2dn4 s GLU 91 N -6.30 0.80 0.00 2.89 2.12 -1.26 -5.06 118.70 111.90 2dn4 s GLU 91 Ca 0.70 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2dn4 s GLU 91 Cb -0.41 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 31.88 2dn4 s GLU 91 CO 0.87 -0.99 0.00 -0.40 -0.54 0.00 0.00 175.26 174.20 2dn4 n ASP 92 N 4.74 0.00 -4.17 -1.70 5.68 -1.26 -5.08 116.55 114.76 2dn4 n ASP 92 Ca -0.01 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.84 2dn4 n ASP 92 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2dn4 n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2dn4 n LEU 93 N 0.00 5.86 -3.38 -2.12 -0.00 -1.26 -4.87 117.00 111.23 2dn4 n LEU 93 Ca 0.00 -5.13 -0.20 0.00 -0.00 0.00 0.00 56.01 50.69 2dn4 n LEU 93 Cb 0.00 -1.37 -0.09 0.00 -0.00 0.00 0.00 43.42 41.97 2dn4 n LEU 93 CO 0.00 1.52 -0.19 -0.44 -0.00 0.00 0.00 177.39 178.28 2dn4 s SER 94 N -0.15 1.57 -0.23 1.96 0.01 -1.26 -5.09 113.70 110.50 2dn4 s SER 94 Ca 0.31 -1.70 -0.03 0.00 1.31 0.00 0.00 55.95 55.84 2dn4 s SER 94 Cb -0.03 0.35 0.11 0.00 0.21 0.00 0.00 66.02 66.66 2dn4 s SER 94 CO 0.00 -0.27 0.24 -0.83 0.41 0.00 0.00 173.24 172.79 2dn4 s GLY 95 N 1.37 -0.02 -1.22 3.44 0.00 -1.26 -5.07 107.32 104.56 2dn4 s GLY 95 Ca 0.17 0.06 -0.20 0.00 0.00 0.00 0.00 44.72 44.75 2dn4 s GLY 95 CO -0.03 2.28 1.88 -1.55 0.00 0.00 0.00 173.10 175.68 2dn4 n PRO 96 N 5.31 2.37 -3.15 2.90 -0.04 -1.26 -4.75 135.00 136.38 2dn4 n PRO 96 Ca -0.05 -2.76 0.04 0.00 -0.04 0.00 0.00 63.50 60.69 2dn4 n PRO 96 Cb 0.48 -3.52 -0.01 0.00 -0.04 0.00 0.00 33.50 30.41 2dn4 n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn4 s SER 97 N 5.12 -1.46 -0.21 3.54 0.15 -1.26 -5.13 113.70 114.45 2dn4 s SER 97 Ca 0.60 0.62 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 2dn4 s SER 97 Cb 0.04 2.10 0.06 0.00 -1.71 0.00 0.00 66.02 66.52 2dn4 s SER 97 CO 0.09 -0.27 0.01 -0.55 1.20 0.00 0.00 173.24 173.73 2dn4 s SER 98 N 2.85 3.25 0.00 5.45 0.15 -1.26 -5.24 113.70 118.90 2dn4 s SER 98 Ca 0.17 -0.98 0.31 0.00 0.70 0.00 0.00 55.95 56.15 2dn4 s SER 98 Cb -0.13 -0.78 1.67 0.00 -1.71 0.00 0.00 66.02 65.07 2dn4 s SER 98 CO -0.23 -0.29 2.09 0.61 1.20 0.00 0.00 173.24 176.62