#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 s SER 2 N 0.00 -0.22 -0.21 1.61 1.04 -1.26 -5.14 113.70 109.52 2dn4 s SER 2 Ca 0.00 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 2dn4 s SER 2 Cb 0.00 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.67 2dn4 s SER 2 CO 0.00 -0.13 0.28 -0.55 0.98 0.00 0.00 173.24 173.81 2dn4 s SER 3 N -0.11 0.93 0.00 7.02 0.15 -1.26 -5.09 113.70 115.34 2dn4 s SER 3 Ca -0.02 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dn4 s SER 3 Cb -0.02 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2dn4 s SER 3 CO 0.01 -0.31 0.09 0.61 1.20 0.00 0.00 173.24 174.83 2dn4 n GLY 4 N 5.34 -1.49 3.39 9.45 0.00 -1.26 -4.67 105.19 115.94 2dn4 n GLY 4 Ca -0.05 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 -2.32 -1.53 1.61 7.64 -1.26 -4.63 113.62 112.98 2dn4 n SER 5 Ca 0.00 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2dn4 n SER 5 Cb 0.00 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 2dn4 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dn4 n SER 6 N -0.89 -5.22 0.00 6.43 2.88 -1.26 -5.01 113.62 110.55 2dn4 n SER 6 Ca 0.06 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 2dn4 n SER 6 Cb 0.53 -2.79 0.00 0.00 -0.75 0.00 0.00 64.21 61.20 2dn4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn4 n GLY 7 N 0.78 0.76 0.29 0.46 0.00 -1.26 -4.87 105.19 101.35 2dn4 n GLY 7 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.82 -0.49 0.99 3.38 -1.95 0.11 115.31 116.53 2dn4 h LEU 8 Ca 0.00 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2dn4 h LEU 8 Cb 0.00 0.37 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 2dn4 h LEU 8 CO 0.00 -0.30 -0.32 -0.09 0.09 0.00 0.00 178.44 177.82 2dn4 h ARG 9 N -0.30 -0.19 -0.86 1.13 2.43 -1.95 0.41 114.38 115.05 2dn4 h ARG 9 Ca 0.12 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2dn4 h ARG 9 Cb 0.48 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 2dn4 h ARG 9 CO -0.35 -0.13 0.50 -0.22 -1.51 0.00 0.00 179.97 178.26 2dn4 h LYS 10 N -0.20 0.82 0.01 0.20 3.64 -1.68 1.61 116.57 120.98 2dn4 h LYS 10 Ca 0.20 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2dn4 h LYS 10 Cb 0.54 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2dn4 h LYS 10 CO -0.60 0.54 -0.04 1.96 -2.27 0.00 0.00 179.45 179.04 2dn4 h GLN 11 N 0.85 -0.08 -0.37 1.90 4.20 0.22 0.63 115.11 122.45 2dn4 h GLN 11 Ca 0.41 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 59.02 2dn4 h GLN 11 Cb 0.36 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2dn4 h GLN 11 CO -0.24 -0.05 -0.16 0.28 -0.67 0.00 0.00 178.83 177.99 2dn4 h VAL 12 N -0.08 1.28 -0.26 -0.54 2.07 0.57 0.48 116.25 119.78 2dn4 h VAL 12 Ca 0.01 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.31 2dn4 h VAL 12 Cb 0.09 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2dn4 h VAL 12 CO -0.03 0.42 -0.24 -0.33 0.02 0.00 0.00 177.57 177.41 2dn4 h GLU 13 N 0.57 -0.23 -0.51 1.57 5.08 0.26 1.62 114.58 122.94 2dn4 h GLU 13 Ca 0.09 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2dn4 h GLU 13 Cb 0.71 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2dn4 h GLU 13 CO 0.05 -0.15 -0.16 0.93 -1.00 0.00 0.00 179.01 178.68 2dn4 h GLU 14 N -0.24 1.02 0.79 2.33 4.39 -0.82 -2.89 114.58 119.15 2dn4 h GLU 14 Ca 0.14 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 2dn4 h GLU 14 Cb 0.46 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2dn4 h GLU 14 CO -0.40 1.09 -0.38 1.25 -1.16 0.00 0.00 179.01 179.42 2dn4 h LEU 15 N 0.88 -0.89 -0.95 1.33 5.85 0.19 -0.87 115.31 120.85 2dn4 h LEU 15 Ca 0.13 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2dn4 h LEU 15 Cb 0.74 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 2dn4 h LEU 15 CO 0.06 -0.61 -0.50 -0.26 -0.34 0.00 0.00 178.44 176.78 2dn4 h PHE 16 N -1.10 -1.54 -0.19 1.25 -1.00 0.23 0.23 116.94 114.82 2dn4 h PHE 16 Ca -0.11 0.12 0.04 0.00 2.81 0.00 0.00 57.97 60.83 2dn4 h PHE 16 Cb 0.82 0.80 -0.04 0.00 3.61 0.00 0.00 35.95 41.14 2dn4 h PHE 16 CO -0.01 -0.39 -0.09 0.93 -1.61 0.00 0.00 178.31 177.14 2dn4 h GLU 17 N -0.03 -0.06 -0.16 1.51 5.08 -1.43 -2.87 114.58 116.62 2dn4 h GLU 17 Ca 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2dn4 h GLU 17 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2dn4 h GLU 17 CO -0.93 -0.04 -0.09 -2.13 -1.00 0.00 0.00 179.01 174.82 2dn4 n ARG 18 N -5.24 -0.07 -0.36 2.33 0.00 0.76 0.18 116.66 114.26 2dn4 n ARG 18 Ca -0.02 1.02 -0.10 0.00 -0.00 0.00 0.00 57.85 58.74 2dn4 n ARG 18 Cb 0.16 -1.52 -0.09 0.00 0.00 0.00 0.00 32.46 31.02 2dn4 n ARG 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dn4 h LYS 19 N 0.00 -0.03 -0.43 -0.14 1.79 -1.24 1.67 116.57 118.19 2dn4 h LYS 19 Ca 0.03 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.58 2dn4 h LYS 19 Cb 0.07 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.64 2dn4 h LYS 19 CO -0.15 -0.02 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.20 2dn4 h TYR 20 N -0.03 -0.17 -0.97 -1.35 3.20 -0.74 0.49 116.97 117.40 2dn4 h TYR 20 Ca 0.14 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2dn4 h TYR 20 Cb 0.38 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 2dn4 h TYR 20 CO -0.99 -0.16 0.64 0.00 -1.64 0.00 0.00 178.16 176.00 2dn4 h ALA 21 N 1.42 1.37 -0.60 1.82 0.00 0.57 -1.39 119.26 122.44 2dn4 h ALA 21 Ca 0.21 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2dn4 h ALA 21 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dn4 h ALA 21 CO -0.42 0.55 0.06 1.96 0.00 0.00 0.00 179.25 181.40 2dn4 h GLN 22 N 1.23 1.02 0.00 0.00 1.08 0.46 1.80 115.11 120.71 2dn4 h GLN 22 Ca 0.38 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2dn4 h GLN 22 Cb -0.01 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2dn4 h GLN 22 CO -0.11 0.98 0.00 0.00 -0.95 0.00 0.00 178.83 178.75 2dn4 h ALA 23 N 1.00 1.00 0.00 3.87 0.00 0.94 0.31 119.26 126.38 2dn4 h ALA 23 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dn4 h ALA 23 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dn4 h ALA 23 CO 0.02 0.00 -0.00 0.44 0.00 0.00 0.00 179.25 179.71 2dn4 n ILE 24 N -2.74 0.91 -3.76 0.00 -5.35 -0.56 -4.98 119.36 102.87 2dn4 n ILE 24 Ca -0.02 -0.93 -0.32 0.00 -0.27 0.00 0.00 62.75 61.21 2dn4 n ILE 24 Cb 0.11 0.53 0.03 0.00 -1.74 0.00 0.00 39.64 38.56 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 -0.48 -1.00 -4.13 6.28 5.02 0.50 -4.94 118.16 119.41 2dn4 n LYS 25 Ca 0.01 0.48 -0.34 0.00 -2.02 0.00 0.00 58.31 56.44 2dn4 n LYS 25 Cb 0.30 -3.47 -0.14 0.00 -0.02 0.00 0.00 35.03 31.70 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 -3.36 2.76 -0.41 7.82 0.00 0.49 -4.96 121.76 124.11 2dn4 s ALA 26 Ca 0.36 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2dn4 s ALA 26 Cb -0.16 -1.57 0.51 0.00 0.00 0.00 0.00 23.12 21.91 2dn4 s ALA 26 CO 0.89 -0.24 1.47 0.36 0.00 0.00 0.00 175.76 178.23 2dn4 n LYS 27 N 4.44 2.87 -4.28 0.00 2.85 -1.26 -4.55 118.16 118.23 2dn4 n LYS 27 Ca -0.18 -2.09 -0.15 0.00 -1.05 0.00 0.00 58.31 54.84 2dn4 n LYS 27 Cb 0.51 -1.93 -0.10 0.00 -0.65 0.00 0.00 35.03 32.87 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 -0.53 1.66 -0.24 2.58 0.00 -1.26 -5.11 107.32 104.41 2dn4 s GLY 28 Ca 0.38 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.99 2dn4 s GLY 28 CO 0.09 -1.53 1.32 2.56 0.00 0.00 0.00 173.10 175.54 2dn4 s PRO 29 N -4.06 4.02 0.34 2.90 0.04 -1.26 -4.93 135.00 132.04 2dn4 s PRO 29 Ca 0.38 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.95 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 0.13 -0.98 0.15 0.14 0.04 0.00 0.00 177.00 176.48 2dn4 s VAL 30 N 4.13 3.06 -0.01 -0.36 -7.23 -1.26 -5.13 120.40 113.60 2dn4 s VAL 30 Ca 0.57 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 2dn4 s VAL 30 Cb -0.19 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 2dn4 s VAL 30 CO 0.21 -0.18 0.10 -0.89 -0.31 0.00 0.00 175.10 174.03 2dn4 s THR 31 N -2.42 4.89 -0.27 5.32 2.01 -1.26 -4.87 115.64 119.04 2dn4 s THR 31 Ca 0.38 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 2dn4 s THR 31 Cb -0.03 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2dn4 s THR 31 CO 0.23 0.35 0.15 -0.63 -0.69 0.00 0.00 174.62 174.03 2dn4 s ILE 32 N -1.22 4.99 -0.47 1.82 1.01 -1.26 -5.04 121.20 121.02 2dn4 s ILE 32 Ca 0.24 0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 2dn4 s ILE 32 Cb -0.12 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.98 2dn4 s ILE 32 CO 0.15 0.27 1.45 -2.16 0.00 0.00 0.00 174.94 174.64 2dn4 s PRO 33 N 1.71 3.42 0.04 2.79 0.04 -1.26 -4.86 135.00 136.89 2dn4 s PRO 33 Ca 0.07 0.77 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 2dn4 s PRO 33 Cb -0.16 -4.08 -0.32 0.00 0.04 0.00 0.00 34.50 29.98 2dn4 s PRO 33 CO 0.09 -1.76 1.04 1.88 0.04 0.00 0.00 177.00 178.28 2dn4 h TYR 34 N 11.10 0.76 0.03 0.56 0.05 -1.99 -3.20 116.97 124.28 2dn4 h TYR 34 Ca -0.27 -0.55 -0.00 0.00 0.05 0.00 0.00 58.73 57.95 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 1.00 1.45 -0.02 -1.00 -1.05 0.00 0.00 178.16 178.54 2dn4 h PRO 35 N 0.11 -0.04 -0.80 4.88 0.13 -2.00 -2.91 132.00 131.37 2dn4 h PRO 35 Ca -0.21 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.07 2dn4 h PRO 35 Cb 2.09 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 33.08 2dn4 h PRO 35 CO 0.24 -0.03 -0.23 1.28 -0.23 0.00 0.00 178.00 179.03 2dn4 n LEU 36 N -2.40 -0.36 -0.09 1.56 4.77 -1.26 0.19 117.00 119.41 2dn4 n LEU 36 Ca -0.01 1.39 -0.06 0.00 -0.03 0.00 0.00 56.01 57.30 2dn4 n LEU 36 Cb 0.02 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2dn4 n LEU 36 CO 0.01 -1.30 0.77 -0.26 -1.33 0.00 0.00 177.39 175.28 2dn4 h PHE 37 N 0.00 -0.31 -0.99 -1.77 -1.00 -1.67 0.15 116.94 111.36 2dn4 h PHE 37 Ca 0.35 0.03 0.22 0.00 2.81 0.00 0.00 57.97 61.39 2dn4 h PHE 37 Cb 0.55 0.19 -0.09 0.00 3.61 0.00 0.00 35.95 40.21 2dn4 h PHE 37 CO -0.64 -0.20 0.63 1.96 -1.61 0.00 0.00 178.31 178.44 2dn4 h GLN 38 N -0.07 0.52 0.00 1.51 1.08 0.22 0.87 115.11 119.24 2dn4 h GLN 38 Ca 0.17 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.19 2dn4 h GLN 38 Cb 0.32 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2dn4 h GLN 38 CO -0.38 0.34 -0.69 1.03 -0.95 0.00 0.00 178.83 178.18 2dn4 h SER 39 N 0.53 0.00 -2.11 1.46 0.87 -0.01 -3.35 113.55 110.94 2dn4 h SER 39 Ca 0.55 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.54 2dn4 h SER 39 Cb 1.19 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.74 2dn4 h SER 39 CO -0.29 0.69 -0.85 1.41 -0.53 0.00 0.00 176.83 177.26 2dn4 n HIS 40 N -3.50 1.86 0.85 2.24 8.25 0.26 -4.85 115.22 120.32 2dn4 n HIS 40 Ca -0.00 -3.89 0.13 0.00 -0.26 0.00 0.00 57.72 53.71 2dn4 n HIS 40 Cb 0.73 -0.46 0.48 0.00 1.12 0.00 0.00 29.99 31.86 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 0.92 0.22 0.11 1.59 0.24 0.12 0.31 118.33 121.84 2dn4 n VAL 41 Ca 0.26 -0.11 -0.18 0.00 -2.04 0.00 0.00 64.34 62.27 2dn4 n VAL 41 Cb 0.47 -0.43 -0.13 0.00 -1.47 0.00 0.00 33.84 32.28 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 0.39 0.00 7.34 5.08 -1.89 -3.40 114.58 122.10 2dn4 h GLU 42 Ca 0.00 -0.60 -0.19 0.00 -1.00 0.00 0.00 59.36 57.58 2dn4 h GLU 42 Cb 0.60 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2dn4 h GLU 42 CO 0.00 1.27 -1.54 -0.25 -1.00 0.00 0.00 179.01 177.48 2dn4 n ASP 43 N -3.63 1.77 -4.54 1.42 9.92 -1.21 -4.89 116.55 115.39 2dn4 n ASP 43 Ca -0.10 0.30 -0.43 0.00 -0.53 0.00 0.00 54.79 54.03 2dn4 n ASP 43 Cb 1.01 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 40.73 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 -7.57 4.35 0.06 0.64 1.43 0.15 -2.67 118.68 115.07 2dn4 s LEU 44 Ca -0.29 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.43 2dn4 s LEU 44 Cb 0.08 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.56 2dn4 s LEU 44 CO 0.40 -0.76 0.89 -0.72 0.23 0.00 0.00 176.35 176.38 2dn4 s TYR 45 N 2.93 -0.30 0.08 0.29 1.13 -1.12 -3.60 117.35 116.76 2dn4 s TYR 45 Ca 0.25 0.10 0.03 0.00 -1.41 0.00 0.00 57.07 56.05 2dn4 s TYR 45 Cb -0.14 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 2dn4 s TYR 45 CO 0.19 -0.66 0.07 0.08 -2.51 0.00 0.00 175.55 172.72 2dn4 s VAL 46 N -3.22 4.47 0.35 -3.49 1.01 -1.26 -1.46 120.40 116.81 2dn4 s VAL 46 Ca 0.07 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2dn4 s VAL 46 Cb -0.01 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2dn4 s VAL 46 CO -0.06 0.12 0.25 -1.61 0.00 0.00 0.00 175.10 173.80 2dn4 s GLU 47 N -2.41 1.82 0.00 2.72 2.02 0.45 -4.83 118.70 118.48 2dn4 s GLU 47 Ca 0.29 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.20 2dn4 s GLU 47 Cb -0.12 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.24 2dn4 s GLU 47 CO 0.22 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2dn4 n GLY 48 N -0.71 0.74 3.77 -1.39 0.00 -1.25 0.14 105.19 106.50 2dn4 n GLY 48 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 3.49 1.09 0.99 1.43 -1.26 -2.57 118.68 121.85 2dn4 s LEU 49 Ca 0.00 2.02 -0.18 0.00 -1.03 0.00 0.00 54.13 54.94 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 -1.49 1.23 -2.16 0.23 0.00 0.00 176.35 174.16 2dn4 s PRO 50 N -3.90 -0.40 0.22 1.29 0.04 -1.26 -4.99 135.00 126.01 2dn4 s PRO 50 Ca 0.68 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 2dn4 s PRO 50 Cb -0.21 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2dn4 s PRO 50 CO 0.38 -3.12 1.00 -2.00 0.04 0.00 0.00 177.00 173.29 2dn4 s GLU 51 N -5.69 4.75 -0.90 4.56 2.12 -1.26 -3.32 118.70 118.96 2dn4 s GLU 51 Ca 0.73 1.59 0.00 0.00 0.36 0.00 0.00 54.97 57.65 2dn4 s GLU 51 Cb -0.06 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2dn4 s GLU 51 CO 0.55 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 176.02 2dn4 n GLY 52 N 1.60 -0.01 2.86 -1.50 0.00 -1.26 -4.99 105.19 101.90 2dn4 n GLY 52 Ca -0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.51 -0.53 0.00 -0.61 1.01 -1.21 -5.08 121.20 112.27 2dn4 s ILE 53 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2dn4 s ILE 53 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.67 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 4.89 0.67 -3.61 2.79 -0.04 -1.26 -4.28 135.00 134.17 2dn4 n PRO 54 Ca 0.05 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 -0.22 3.71 0.18 0.54 5.36 -1.26 -4.99 117.98 121.30 2dn4 s PHE 55 Ca 0.00 -2.76 0.01 0.00 -0.96 0.00 0.00 56.93 53.22 2dn4 s PHE 55 Cb 0.00 -3.34 -0.05 0.00 -0.34 0.00 0.00 43.02 39.30 2dn4 s PHE 55 CO 0.00 -0.82 0.03 1.03 -1.46 0.00 0.00 175.22 174.00 2dn4 s ARG 56 N -0.67 1.13 -0.10 10.12 1.81 -1.26 -5.00 118.95 124.98 2dn4 s ARG 56 Ca 0.22 -1.56 -0.35 0.00 -1.72 0.00 0.00 55.73 52.33 2dn4 s ARG 56 Cb -0.13 -0.17 -0.17 0.00 -0.45 0.00 0.00 34.95 34.03 2dn4 s ARG 56 CO -0.08 -0.18 1.01 0.54 -0.68 0.00 0.00 175.30 175.91 2dn4 n ARG 57 N -0.25 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.68 2dn4 n ARG 57 Ca -0.05 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 2dn4 n ARG 57 Cb 0.64 -1.27 0.66 0.00 -1.02 0.00 0.00 32.46 31.47 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 1.76 0.75 -0.28 5.56 -0.04 -1.26 -2.25 135.00 139.23 2dn4 n PRO 58 Ca 0.19 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 2dn4 n PRO 58 Cb 0.04 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.97 3.18 0.00 3.54 3.41 -1.26 -3.81 113.62 117.71 2dn4 n SER 59 Ca 0.17 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 2dn4 n SER 59 Cb 0.08 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 1.25 0.27 -3.38 6.66 5.66 -0.96 -5.06 114.28 118.72 2dn4 n THR 60 Ca 0.20 -0.42 -0.27 0.00 -3.05 0.00 0.00 64.05 60.51 2dn4 n THR 60 Cb 0.51 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.36 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 -0.27 3.49 0.76 1.09 2.02 -1.25 -5.08 117.35 118.11 2dn4 s TYR 61 Ca 0.00 0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 2dn4 s TYR 61 Cb 0.00 -2.00 0.05 0.00 -0.40 0.00 0.00 41.96 39.61 2dn4 s TYR 61 CO 0.00 0.17 1.09 0.20 -1.57 0.00 0.00 175.55 175.43 2dn4 s GLY 62 N -3.52 1.64 0.20 0.71 0.00 -1.26 -4.79 107.32 100.30 2dn4 s GLY 62 Ca 0.42 -0.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 2dn4 s GLY 62 CO 0.33 0.24 1.80 -2.22 0.00 0.00 0.00 173.10 173.25 2dn4 h ILE 63 N -0.94 0.97 -0.02 0.90 2.04 -1.99 0.29 117.51 118.76 2dn4 h ILE 63 Ca -0.46 -0.22 -0.18 0.00 1.00 0.00 0.00 64.86 64.99 2dn4 h ILE 63 Cb 1.25 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2dn4 h ILE 63 CO 0.59 0.12 -0.81 1.55 0.00 0.00 0.00 178.15 179.60 2dn4 h PRO 64 N 0.65 0.21 -0.66 2.37 0.13 -2.00 -2.48 132.00 130.23 2dn4 h PRO 64 Ca 0.28 -0.20 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 2dn4 h PRO 64 Cb 0.16 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.32 2dn4 h PRO 64 CO -0.17 0.91 0.11 0.00 -0.23 0.00 0.00 178.00 178.62 2dn4 h ARG 65 N 0.13 1.08 0.06 0.86 3.08 -1.69 -2.65 114.38 115.25 2dn4 h ARG 65 Ca -0.03 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 2dn4 h ARG 65 Cb 1.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2dn4 h ARG 65 CO 0.12 0.98 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.91 2dn4 h LEU 66 N 1.01 -0.06 -0.75 3.04 3.38 -0.45 -2.93 115.31 118.55 2dn4 h LEU 66 Ca 0.20 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2dn4 h LEU 66 Cb 0.43 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 2dn4 h LEU 66 CO 0.01 0.34 -0.55 -0.33 0.09 0.00 0.00 178.44 178.01 2dn4 h GLU 67 N -0.48 -0.13 -0.54 1.13 5.08 -1.33 0.15 114.58 118.46 2dn4 h GLU 67 Ca -0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2dn4 h GLU 67 Cb 0.43 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 2dn4 h GLU 67 CO 0.01 -0.09 -0.28 0.00 -1.00 0.00 0.00 179.01 177.65 2dn4 h ARG 68 N -0.14 -0.14 -1.07 2.33 3.08 -1.51 1.01 114.38 117.94 2dn4 h ARG 68 Ca 0.12 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.47 2dn4 h ARG 68 Cb 0.45 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 2dn4 h ARG 68 CO -0.77 -0.09 0.73 0.82 -1.07 0.00 0.00 179.97 179.58 2dn4 h ILE 69 N -0.15 0.49 0.05 2.04 2.04 -0.58 1.75 117.51 123.16 2dn4 h ILE 69 Ca 0.23 -0.08 -0.24 0.00 1.00 0.00 0.00 64.86 65.78 2dn4 h ILE 69 Cb 0.52 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2dn4 h ILE 69 CO -0.62 0.04 -1.14 -0.07 0.00 0.00 0.00 178.15 176.36 2dn4 h LEU 70 N 0.22 0.17 -0.08 1.44 3.38 0.23 -1.29 115.31 119.39 2dn4 h LEU 70 Ca 0.57 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2dn4 h LEU 70 Cb 1.77 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2dn4 h LEU 70 CO -0.17 1.15 0.00 0.18 0.09 0.00 0.00 178.44 179.69 2dn4 n LEU 71 N -3.41 0.82 -0.49 1.67 4.77 0.43 -2.60 117.00 118.18 2dn4 n LEU 71 Ca -0.04 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 2dn4 n LEU 71 Cb 0.98 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.75 2dn4 n LEU 71 CO 0.50 -0.23 0.36 0.00 -1.33 0.00 0.00 177.39 176.69 2dn4 n ALA 72 N -1.79 2.91 -0.30 -1.18 0.00 0.49 -4.52 120.51 116.13 2dn4 n ALA 72 Ca 0.05 -0.58 0.10 0.00 0.00 0.00 0.00 53.44 53.01 2dn4 n ALA 72 Cb 0.41 -0.57 0.23 0.00 0.00 0.00 0.00 19.45 19.52 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 2.41 0.09 -0.97 0.00 2.10 -0.97 2.16 116.57 121.39 2dn4 h LYS 73 Ca 0.00 -0.01 0.26 0.00 -2.00 0.00 0.00 60.65 58.90 2dn4 h LYS 73 Cb 0.62 -0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 31.87 2dn4 h LYS 73 CO 0.00 0.06 0.67 0.93 -2.00 0.00 0.00 179.45 179.11 2dn4 h GLU 74 N 0.09 0.17 0.07 0.07 5.08 -1.80 -0.82 114.58 117.45 2dn4 h GLU 74 Ca 0.51 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 58.48 2dn4 h GLU 74 Cb 0.97 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2dn4 h GLU 74 CO -0.76 0.11 -2.18 0.54 -1.00 0.00 0.00 179.01 175.73 2dn4 n ARG 75 N -4.39 0.71 -1.22 2.33 1.74 0.63 -4.97 116.66 111.50 2dn4 n ARG 75 Ca 0.21 0.21 -0.41 0.00 -0.77 0.00 0.00 57.85 57.10 2dn4 n ARG 75 Cb 0.92 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 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 -3.35 1.22 -3.57 0.55 5.41 0.43 -3.95 119.36 116.10 2dn4 n ILE 76 Ca -0.37 -0.45 -0.16 0.00 1.00 0.00 0.00 62.75 62.78 2dn4 n ILE 76 Cb 1.03 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.90 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 -0.90 0.92 -0.34 0.38 3.52 0.38 -4.79 118.95 118.13 2dn4 s ARG 77 Ca 0.56 0.51 -0.04 0.00 -0.13 0.00 0.00 55.73 56.63 2dn4 s ARG 77 Cb -0.71 0.44 0.06 0.00 -1.56 0.00 0.00 34.95 33.18 2dn4 s ARG 77 CO 0.53 -0.23 0.10 -0.06 -0.81 0.00 0.00 175.30 174.83 2dn4 s PHE 78 N -0.60 3.33 -0.30 5.12 0.40 -1.26 0.17 117.98 124.85 2dn4 s PHE 78 Ca -0.06 -1.81 -0.25 0.00 -0.60 0.00 0.00 56.93 54.22 2dn4 s PHE 78 Cb -0.02 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 41.05 2dn4 s PHE 78 CO 0.06 -0.82 0.85 0.08 0.70 0.00 0.00 175.22 176.09 2dn4 s VAL 79 N 1.29 4.75 -0.79 -0.44 1.01 -0.53 -4.78 120.40 120.91 2dn4 s VAL 79 Ca -0.01 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.34 2dn4 s VAL 79 Cb -0.21 -4.19 0.30 0.00 0.00 0.00 0.00 36.38 32.28 2dn4 s VAL 79 CO -0.00 -0.26 1.14 -0.38 0.00 0.00 0.00 175.10 175.60 2dn4 n ILE 80 N 5.55 3.83 0.02 2.22 2.08 -1.26 -2.79 119.36 129.01 2dn4 n ILE 80 Ca 0.06 -5.60 -0.10 0.00 0.56 0.00 0.00 62.75 57.66 2dn4 n ILE 80 Cb 0.48 -1.83 -0.04 0.00 -0.75 0.00 0.00 39.64 37.50 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 4.17 -0.29 -4.83 0.38 1.57 -1.88 -3.37 116.57 112.32 2dn4 h LYS 81 Ca 0.24 0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 58.37 2dn4 h LYS 81 Cb 0.56 0.07 -0.23 0.00 0.08 0.00 0.00 32.23 32.70 2dn4 h LYS 81 CO 1.00 -0.19 -0.58 0.15 -0.57 0.00 0.00 179.45 179.26 2dn4 s LYS 82 N -6.10 3.41 -0.17 3.15 -0.14 -1.26 -4.97 119.74 113.67 2dn4 s LYS 82 Ca -0.15 -0.66 -0.17 0.00 -1.36 0.00 0.00 55.97 53.64 2dn4 s LYS 82 Cb 0.10 -3.47 -0.13 0.00 -1.68 0.00 0.00 37.83 32.64 2dn4 s LYS 82 CO 0.67 -0.35 0.16 0.45 -0.76 0.00 0.00 175.35 175.52 2dn4 h HIS 83 N 8.30 0.00 -0.88 3.18 3.86 -2.00 -3.37 115.15 124.24 2dn4 h HIS 83 Ca -0.34 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.11 2dn4 h HIS 83 Cb 1.15 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.47 2dn4 h HIS 83 CO 0.65 0.81 0.18 1.05 0.86 0.00 0.00 177.93 181.48 2dn4 h GLU 84 N -1.00 0.15 -1.16 2.45 4.11 -1.96 1.42 114.58 118.59 2dn4 h GLU 84 Ca -0.15 -0.01 0.34 0.00 0.07 0.00 0.00 59.36 59.60 2dn4 h GLU 84 Cb 0.88 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2dn4 h GLU 84 CO -0.09 0.10 1.04 -0.07 0.07 0.00 0.00 179.01 180.05 2dn4 h LEU 85 N 0.16 0.00 0.41 3.06 3.38 -1.99 0.46 115.31 120.79 2dn4 h LEU 85 Ca 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2dn4 h LEU 85 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2dn4 h LEU 85 CO -0.70 0.00 -0.20 -0.07 0.09 0.00 0.00 178.44 177.56 2dn4 h LEU 86 N 0.00 -0.47 -2.65 1.67 3.38 0.18 -3.49 115.31 113.92 2dn4 h LEU 86 Ca 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2dn4 h LEU 86 Cb 2.62 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 43.46 2dn4 h LEU 86 CO -0.01 -0.04 -0.95 -3.20 0.09 0.00 0.00 178.44 174.34 2dn4 n ASN 87 N -5.15 -5.94 -3.14 -0.43 2.85 0.16 -5.02 115.26 98.59 2dn4 n ASN 87 Ca -0.08 1.04 0.02 0.00 -0.11 0.00 0.00 54.58 55.45 2dn4 n ASN 87 Cb 0.25 -3.56 -0.01 0.00 1.24 0.00 0.00 39.78 37.70 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dn4 s SER 88 N -0.95 -1.36 -0.69 1.20 1.04 -1.26 -5.05 113.70 106.62 2dn4 s SER 88 Ca -0.06 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.91 2dn4 s SER 88 Cb 0.00 1.76 0.32 0.00 0.10 0.00 0.00 66.02 68.21 2dn4 s SER 88 CO 0.42 -0.17 1.10 1.07 0.98 0.00 0.00 173.24 176.64 2dn4 n THR 89 N 4.54 3.63 -2.64 2.02 5.66 -1.26 -4.94 114.28 121.29 2dn4 n THR 89 Ca 0.09 -5.63 -0.02 0.00 -3.05 0.00 0.00 64.05 55.44 2dn4 n THR 89 Cb 0.57 -1.55 -0.02 0.00 -1.55 0.00 0.00 70.33 67.79 2dn4 n THR 89 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2dn4 n ARG 90 N -0.01 -3.90 -2.82 1.09 3.00 -1.26 -5.06 116.66 107.70 2dn4 n ARG 90 Ca 0.34 3.03 0.02 0.00 -0.01 0.00 0.00 57.85 61.23 2dn4 n ARG 90 Cb 0.37 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 27.63 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 -1.23 0.20 0.01 5.56 2.12 -1.26 -5.13 118.70 118.97 2dn4 s GLU 91 Ca -0.12 -0.05 -0.34 0.00 0.36 0.00 0.00 54.97 54.82 2dn4 s GLU 91 Cb 0.01 0.03 -0.13 0.00 0.26 0.00 0.00 34.13 34.30 2dn4 s GLU 91 CO 0.78 -0.30 1.75 -3.47 -0.54 0.00 0.00 175.26 173.48 2dn4 n ASP 92 N 3.85 3.25 -3.68 -1.70 2.03 -1.26 -4.95 116.55 114.09 2dn4 n ASP 92 Ca 0.06 1.02 -0.24 0.00 0.52 0.00 0.00 54.79 56.15 2dn4 n ASP 92 Cb 0.63 -1.38 -0.17 0.00 -0.72 0.00 0.00 41.12 39.47 2dn4 n ASP 92 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2dn4 s LEU 93 N 2.78 0.49 -0.17 -2.67 1.98 -1.26 -5.11 118.68 114.73 2dn4 s LEU 93 Ca 0.87 -0.39 -0.04 0.00 -2.89 0.00 0.00 54.13 51.68 2dn4 s LEU 93 Cb -0.70 -0.32 0.08 0.00 0.66 0.00 0.00 46.19 45.92 2dn4 s LEU 93 CO 0.47 -0.29 0.28 -0.55 -1.89 0.00 0.00 176.35 174.37 2dn4 s SER 94 N 2.07 0.52 0.00 3.68 0.15 -1.26 -5.14 113.70 113.71 2dn4 s SER 94 Ca 0.03 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2dn4 s SER 94 Cb -0.15 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dn4 s SER 94 CO -0.07 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dn4 n GLY 95 N 5.35 2.17 3.78 9.45 0.00 -1.26 -5.17 105.19 119.51 2dn4 n GLY 95 Ca -0.06 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2dn4 n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn4 s PRO 96 N -2.00 0.97 -0.14 1.61 0.04 -1.26 -5.07 135.00 129.15 2dn4 s PRO 96 Ca 0.00 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.25 2dn4 s PRO 96 Cb 0.00 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.76 2dn4 s PRO 96 CO 0.00 -2.30 -0.01 -1.12 0.04 0.00 0.00 177.00 173.61 2dn4 s SER 97 N -4.08 2.44 0.11 6.66 0.01 -1.26 -5.13 113.70 112.46 2dn4 s SER 97 Ca 0.65 -0.51 0.10 0.00 1.31 0.00 0.00 55.95 57.50 2dn4 s SER 97 Cb -0.14 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 2dn4 s SER 97 CO 0.53 -0.22 -0.26 -0.55 0.41 0.00 0.00 173.24 173.16 2dn4 s SER 98 N 1.80 3.36 0.00 2.44 0.15 -1.26 -5.37 113.70 114.82 2dn4 s SER 98 Ca 0.02 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dn4 s SER 98 Cb -0.15 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2dn4 s SER 98 CO -0.07 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.17