#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 -5.75 -3.81 1.61 7.64 -1.26 -4.60 113.62 107.45 2dn4 n SER 2 Ca 0.00 1.32 -0.12 0.00 1.01 0.00 0.00 58.87 61.08 2dn4 n SER 2 Cb 0.00 -4.89 -0.11 0.00 -1.01 0.00 0.00 64.21 58.20 2dn4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn4 s SER 3 N -1.26 -0.14 0.00 6.43 1.04 -1.26 -4.92 113.70 113.59 2dn4 s SER 3 Ca -0.08 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2dn4 s SER 3 Cb 0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2dn4 s SER 3 CO 0.70 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.29 2dn4 n GLY 4 N 2.15 0.73 3.54 7.32 0.00 -1.26 -5.14 105.19 112.53 2dn4 n GLY 4 Ca -0.18 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 2dn4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn4 s SER 5 N -4.00 -0.41 0.25 1.61 0.01 -1.26 -4.85 113.70 105.05 2dn4 s SER 5 Ca 0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dn4 s SER 5 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2dn4 s SER 5 CO 0.00 -0.86 0.00 -0.24 0.41 0.00 0.00 173.24 172.55 2dn4 n SER 6 N -0.35 -2.20 -4.75 2.44 2.88 -1.26 -5.03 113.62 105.36 2dn4 n SER 6 Ca -0.11 0.47 -0.22 0.00 -1.33 0.00 0.00 58.87 57.68 2dn4 n SER 6 Cb 0.63 2.28 -0.06 0.00 -0.75 0.00 0.00 64.21 66.31 2dn4 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn4 s GLY 7 N -2.02 1.65 0.08 0.46 0.00 -1.26 -4.96 107.32 101.27 2dn4 s GLY 7 Ca 0.00 -1.61 -0.20 0.00 0.00 0.00 0.00 44.72 42.91 2dn4 s GLY 7 CO 0.00 -1.63 1.34 1.41 0.00 0.00 0.00 173.10 174.22 2dn4 h LEU 8 N 1.61 -1.17 -0.90 0.66 3.38 -1.98 0.41 115.31 117.32 2dn4 h LEU 8 Ca -0.46 0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.78 2dn4 h LEU 8 Cb 1.25 0.48 -0.13 0.00 0.09 0.00 0.00 40.66 42.35 2dn4 h LEU 8 CO 0.61 -0.24 -0.43 -1.14 0.09 0.00 0.00 178.44 177.33 2dn4 n ARG 9 N -4.36 -0.29 -0.09 1.13 0.63 -1.26 0.12 116.66 112.54 2dn4 n ARG 9 Ca -0.02 1.37 -0.06 0.00 -0.92 0.00 0.00 57.85 58.22 2dn4 n ARG 9 Cb 0.21 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.10 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 0.11 -0.50 -0.14 3.64 -1.53 1.53 116.57 119.67 2dn4 h LYS 10 Ca 0.24 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2dn4 h LYS 10 Cb 0.46 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 2dn4 h LYS 10 CO -0.87 0.07 0.06 1.96 -2.27 0.00 0.00 179.45 178.40 2dn4 h GLN 11 N 0.11 0.18 -0.16 1.90 4.20 0.53 0.45 115.11 122.32 2dn4 h GLN 11 Ca 0.15 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2dn4 h GLN 11 Cb 0.19 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2dn4 h GLN 11 CO -0.24 0.12 -0.14 0.28 -0.67 0.00 0.00 178.83 178.18 2dn4 h VAL 12 N 0.19 1.34 -0.31 -0.54 2.07 0.10 0.21 116.25 119.31 2dn4 h VAL 12 Ca 0.26 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.56 2dn4 h VAL 12 Cb 0.37 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.90 2dn4 h VAL 12 CO -0.37 0.38 -0.23 -0.33 0.02 0.00 0.00 177.57 177.04 2dn4 h GLU 13 N 0.01 -0.20 -0.25 1.57 5.08 0.30 1.56 114.58 122.66 2dn4 h GLU 13 Ca 0.03 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2dn4 h GLU 13 Cb 0.67 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2dn4 h GLU 13 CO 0.04 -0.13 -0.23 0.93 -1.00 0.00 0.00 179.01 178.61 2dn4 h GLU 14 N -0.21 0.46 0.48 2.33 4.39 -0.13 -2.73 114.58 119.18 2dn4 h GLU 14 Ca 0.16 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2dn4 h GLU 14 Cb 0.45 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2dn4 h GLU 14 CO -0.43 0.67 -0.23 1.25 -1.16 0.00 0.00 179.01 179.11 2dn4 h LEU 15 N 0.41 -0.55 -0.74 1.33 5.85 0.11 -0.08 115.31 121.64 2dn4 h LEU 15 Ca 0.06 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.81 2dn4 h LEU 15 Cb 0.63 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.68 2dn4 h LEU 15 CO 0.05 -0.19 -0.43 -0.26 -0.34 0.00 0.00 178.44 177.27 2dn4 h PHE 16 N -0.96 -1.26 -0.08 1.25 -1.00 0.22 0.84 116.94 115.95 2dn4 h PHE 16 Ca -0.07 0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2dn4 h PHE 16 Cb 0.59 0.65 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 2dn4 h PHE 16 CO 0.01 -0.41 0.04 0.93 -1.61 0.00 0.00 178.31 177.27 2dn4 h GLU 17 N -0.13 0.08 -0.55 1.51 5.08 -1.51 -2.35 114.58 116.72 2dn4 h GLU 17 Ca 0.23 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2dn4 h GLU 17 Cb 0.55 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 2dn4 h GLU 17 CO -0.80 0.05 -0.51 0.00 -1.00 0.00 0.00 179.01 176.75 2dn4 h ARG 18 N 0.08 -0.23 -0.19 2.33 2.47 0.11 1.55 114.38 120.50 2dn4 h ARG 18 Ca 0.03 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.80 2dn4 h ARG 18 Cb 0.00 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.31 2dn4 h ARG 18 CO -0.02 -0.15 -0.51 0.87 0.56 0.00 0.00 179.97 180.71 2dn4 h LYS 19 N -0.24 -0.50 -0.17 0.04 1.79 -0.89 0.83 116.57 117.43 2dn4 h LYS 19 Ca 0.09 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 2dn4 h LYS 19 Cb 0.48 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 2dn4 h LYS 19 CO -0.64 -0.34 -0.26 -0.92 -1.08 0.00 0.00 179.45 176.21 2dn4 h TYR 20 N -0.52 -0.71 -0.99 -1.35 3.20 -0.63 0.33 116.97 116.30 2dn4 h TYR 20 Ca 0.06 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.10 2dn4 h TYR 20 Cb 0.66 0.34 -0.09 0.00 1.54 0.00 0.00 36.73 39.18 2dn4 h TYR 20 CO -0.59 -0.34 0.62 0.00 -1.64 0.00 0.00 178.16 176.21 2dn4 h ALA 21 N 0.64 1.59 -0.54 1.82 0.00 0.30 0.14 119.26 123.22 2dn4 h ALA 21 Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2dn4 h ALA 21 Cb 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2dn4 h ALA 21 CO -0.35 0.14 -0.01 1.96 0.00 0.00 0.00 179.25 180.99 2dn4 h GLN 22 N 0.92 0.93 0.00 0.00 1.08 0.27 1.93 115.11 120.23 2dn4 h GLN 22 Ca 0.51 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2dn4 h GLN 22 Cb 0.59 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2dn4 h GLN 22 CO -0.28 0.93 0.00 0.00 -0.95 0.00 0.00 178.83 178.53 2dn4 n ALA 23 N -2.48 1.31 -0.31 3.87 0.00 0.95 -1.02 120.51 122.83 2dn4 n ALA 23 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2dn4 n ALA 23 Cb 0.33 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2dn4 n ALA 23 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2dn4 n ILE 24 N -1.95 0.26 -3.43 0.00 -5.35 -0.45 -4.97 119.36 103.47 2dn4 n ILE 24 Ca 0.01 -0.48 -0.21 0.00 -0.27 0.00 0.00 62.75 61.80 2dn4 n ILE 24 Cb 0.10 1.06 0.06 0.00 -1.74 0.00 0.00 39.64 39.13 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 -0.13 -2.27 -3.87 6.28 5.02 0.53 -4.97 118.16 118.75 2dn4 n LYS 25 Ca 0.00 0.72 -0.36 0.00 -2.02 0.00 0.00 58.31 56.65 2dn4 n LYS 25 Cb 0.17 -5.24 -0.13 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.43 3.02 -0.32 7.82 0.00 0.50 -4.95 121.76 124.39 2dn4 s ALA 26 Ca 0.42 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2dn4 s ALA 26 Cb -0.09 -1.89 0.46 0.00 0.00 0.00 0.00 23.12 21.60 2dn4 s ALA 26 CO 0.78 -0.40 1.59 1.63 0.00 0.00 0.00 175.76 179.36 2dn4 n LYS 27 N 4.75 2.05 -4.14 0.00 4.76 -1.26 -4.53 118.16 119.78 2dn4 n LYS 27 Ca -0.17 -2.03 -0.11 0.00 -2.87 0.00 0.00 58.31 53.13 2dn4 n LYS 27 Cb 0.51 -1.82 -0.09 0.00 -1.84 0.00 0.00 35.03 31.80 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2dn4 s GLY 28 N -0.54 1.19 -0.22 0.72 0.00 -1.26 -5.12 107.32 102.09 2dn4 s GLY 28 Ca 0.38 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.34 2dn4 s GLY 28 CO 0.08 -1.18 1.30 2.56 0.00 0.00 0.00 173.10 175.86 2dn4 s PRO 29 N -4.11 4.09 0.30 2.90 0.04 -1.26 -4.93 135.00 132.02 2dn4 s PRO 29 Ca 0.34 1.51 0.09 0.00 0.04 0.00 0.00 61.00 62.98 2dn4 s PRO 29 Cb 0.05 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2dn4 s PRO 29 CO 0.11 -0.90 0.06 0.14 0.04 0.00 0.00 177.00 176.46 2dn4 s VAL 30 N 3.94 3.25 -0.03 -0.36 -7.23 -1.26 -3.87 120.40 114.83 2dn4 s VAL 30 Ca 0.56 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2dn4 s VAL 30 Cb -0.20 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2dn4 s VAL 30 CO 0.19 -0.28 0.09 -0.89 -0.31 0.00 0.00 175.10 173.90 2dn4 s THR 31 N -2.37 4.87 -0.30 5.32 2.01 -1.26 -4.85 115.64 119.05 2dn4 s THR 31 Ca 0.34 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 2dn4 s THR 31 Cb -0.04 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2dn4 s THR 31 CO 0.21 0.43 0.24 -0.63 -0.69 0.00 0.00 174.62 174.18 2dn4 s ILE 32 N -1.14 5.27 -0.27 1.82 1.01 -1.26 -4.98 121.20 121.66 2dn4 s ILE 32 Ca 0.21 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 2dn4 s ILE 32 Cb -0.12 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2dn4 s ILE 32 CO 0.11 0.13 1.33 -2.16 0.00 0.00 0.00 174.94 174.35 2dn4 s PRO 33 N 1.81 3.95 0.13 2.79 0.04 -1.26 -4.89 135.00 137.57 2dn4 s PRO 33 Ca 0.08 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2dn4 s PRO 33 Cb -0.16 -3.88 -0.12 0.00 0.04 0.00 0.00 34.50 30.38 2dn4 s PRO 33 CO 0.11 -1.07 1.29 1.88 0.04 0.00 0.00 177.00 179.24 2dn4 h TYR 34 N 9.27 0.39 0.03 0.56 0.05 -1.98 -3.13 116.97 122.16 2dn4 h TYR 34 Ca -0.27 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.27 2dn4 h TYR 34 Cb 1.10 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2dn4 h TYR 34 CO 0.87 1.10 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.07 2dn4 h PRO 35 N 0.11 -0.03 -0.86 4.88 0.13 -1.97 0.32 132.00 134.58 2dn4 h PRO 35 Ca -0.07 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.31 2dn4 h PRO 35 Cb 1.68 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.65 2dn4 h PRO 35 CO 0.16 -0.02 0.09 1.28 -0.23 0.00 0.00 178.00 179.28 2dn4 n LEU 36 N -2.31 -0.04 -0.07 1.56 4.77 -1.26 0.21 117.00 119.87 2dn4 n LEU 36 Ca -0.00 1.45 -0.14 0.00 -0.03 0.00 0.00 56.01 57.29 2dn4 n LEU 36 Cb 0.01 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 2dn4 n LEU 36 CO 0.01 -1.50 0.55 -0.26 -1.33 0.00 0.00 177.39 174.87 2dn4 h PHE 37 N 0.00 0.68 -0.11 -1.77 -1.00 -1.65 0.72 116.94 113.81 2dn4 h PHE 37 Ca 0.55 -0.22 0.02 0.00 2.81 0.00 0.00 57.97 61.14 2dn4 h PHE 37 Cb 1.21 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.61 2dn4 h PHE 37 CO -0.37 0.93 -0.04 0.37 -1.61 0.00 0.00 178.31 177.59 2dn4 h GLN 38 N 0.24 -0.02 0.00 1.51 5.75 0.48 0.80 115.11 123.86 2dn4 h GLN 38 Ca 0.03 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2dn4 h GLN 38 Cb 0.84 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.39 2dn4 h GLN 38 CO 0.06 -0.01 -0.15 1.03 -2.65 0.00 0.00 178.83 177.12 2dn4 h SER 39 N -0.02 0.00 -2.28 -0.69 0.87 0.21 -3.30 113.55 108.34 2dn4 h SER 39 Ca 0.06 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.02 2dn4 h SER 39 Cb 0.10 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.65 2dn4 h SER 39 CO -0.12 0.15 -0.75 1.41 -0.53 0.00 0.00 176.83 176.98 2dn4 n HIS 40 N -3.29 2.25 1.13 2.24 8.25 0.24 -4.83 115.22 121.21 2dn4 n HIS 40 Ca 0.00 -3.97 0.12 0.00 -0.26 0.00 0.00 57.72 53.62 2dn4 n HIS 40 Cb 0.39 -0.46 0.28 0.00 1.12 0.00 0.00 29.99 31.32 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 1.28 0.00 0.03 1.59 0.24 0.14 -1.16 118.33 120.45 2dn4 n VAL 41 Ca 0.26 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.41 2dn4 n VAL 41 Cb 0.44 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.88 0.00 0.00 7.34 5.08 -1.88 -3.40 114.58 122.60 2dn4 h GLU 42 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 2dn4 h GLU 42 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2dn4 h GLU 42 CO 0.00 0.68 -1.89 -0.25 -1.00 0.00 0.00 179.01 176.55 2dn4 n ASP 43 N -3.17 1.26 -4.58 1.42 8.00 -1.25 -4.93 116.55 113.31 2dn4 n ASP 43 Ca -0.07 0.22 -0.40 0.00 0.71 0.00 0.00 54.79 55.24 2dn4 n ASP 43 Cb 0.95 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 41.44 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 -7.00 4.24 -0.11 0.64 1.43 -0.31 -2.41 118.68 115.17 2dn4 s LEU 44 Ca -0.24 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 2dn4 s LEU 44 Cb 0.09 -2.50 0.10 0.00 0.03 0.00 0.00 46.19 43.92 2dn4 s LEU 44 CO 0.31 -0.34 0.86 -0.72 0.23 0.00 0.00 176.35 176.69 2dn4 s TYR 45 N 2.21 -0.49 0.19 0.29 -0.85 -1.23 -3.81 117.35 113.66 2dn4 s TYR 45 Ca 0.16 0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 57.47 2dn4 s TYR 45 Cb -0.16 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.56 2dn4 s TYR 45 CO 0.11 -0.46 0.45 0.08 -1.52 0.00 0.00 175.55 174.21 2dn4 s VAL 46 N -1.24 5.08 0.37 -3.49 1.01 -1.26 -2.14 120.40 118.73 2dn4 s VAL 46 Ca -0.05 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.11 2dn4 s VAL 46 Cb -0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2dn4 s VAL 46 CO 0.04 -0.06 0.21 -1.61 0.00 0.00 0.00 175.10 173.68 2dn4 s GLU 47 N -2.89 1.85 0.00 2.72 2.02 0.50 -4.81 118.70 118.09 2dn4 s GLU 47 Ca 0.43 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 53.32 2dn4 s GLU 47 Cb -0.12 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.00 2dn4 s GLU 47 CO 0.25 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.36 2dn4 n GLY 48 N -0.77 0.69 3.78 -1.39 0.00 -1.25 0.11 105.19 106.36 2dn4 n GLY 48 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.99 1.43 -1.26 -2.76 118.68 120.57 2dn4 s LEU 49 Ca 0.00 1.97 -0.14 0.00 -1.03 0.00 0.00 54.13 54.93 2dn4 s LEU 49 Cb 0.00 -4.55 0.20 0.00 0.03 0.00 0.00 46.19 41.87 2dn4 s LEU 49 CO 0.00 -1.39 0.92 -0.81 0.23 0.00 0.00 176.35 175.29 2dn4 n PRO 50 N -2.08 -1.80 -2.88 1.29 -0.04 -1.26 -5.00 135.00 123.23 2dn4 n PRO 50 Ca 0.10 -1.44 -0.40 0.00 -0.04 0.00 0.00 63.50 61.72 2dn4 n PRO 50 Cb 0.52 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.79 2dn4 n PRO 50 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dn4 s GLU 51 N -5.04 4.68 -0.91 0.54 -1.05 -1.26 -3.56 118.70 112.10 2dn4 s GLU 51 Ca 0.55 1.30 0.00 0.00 -0.15 0.00 0.00 54.97 56.67 2dn4 s GLU 51 Cb -0.03 -3.28 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 2dn4 s GLU 51 CO 0.41 0.51 0.00 0.41 0.95 0.00 0.00 175.26 177.53 2dn4 n GLY 52 N 1.66 0.03 2.86 -3.83 0.00 -1.26 -4.99 105.19 99.65 2dn4 n GLY 52 Ca -0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.51 0.00 -0.61 1.01 -1.23 -5.09 121.20 112.25 2dn4 s ILE 53 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2dn4 s ILE 53 Cb 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.70 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 4.81 0.58 -3.55 2.79 -0.04 -1.26 -4.31 135.00 134.01 2dn4 n PRO 54 Ca 0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 2dn4 n PRO 54 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.28 3.69 0.16 0.54 5.36 -1.26 -5.00 117.98 121.18 2dn4 s PHE 55 Ca 0.00 -2.56 -0.00 0.00 -0.96 0.00 0.00 56.93 53.41 2dn4 s PHE 55 Cb 0.00 -3.45 -0.04 0.00 -0.34 0.00 0.00 43.02 39.18 2dn4 s PHE 55 CO 0.00 -0.87 0.05 1.03 -1.46 0.00 0.00 175.22 173.97 2dn4 s ARG 56 N -0.38 1.04 -0.13 10.12 1.81 -1.26 -5.00 118.95 125.15 2dn4 s ARG 56 Ca 0.21 -1.51 -0.35 0.00 -1.72 0.00 0.00 55.73 52.36 2dn4 s ARG 56 Cb -0.14 0.08 -0.17 0.00 -0.45 0.00 0.00 34.95 34.28 2dn4 s ARG 56 CO -0.07 -0.25 1.03 0.54 -0.68 0.00 0.00 175.30 175.87 2dn4 n ARG 57 N -0.18 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.76 2dn4 n ARG 57 Ca -0.04 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.15 2dn4 n ARG 57 Cb 0.64 -1.24 0.67 0.00 -1.02 0.00 0.00 32.46 31.50 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 1.91 0.75 -0.27 5.56 -0.04 -1.26 -2.21 135.00 139.44 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 0.03 -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 0.45 -0.04 0.00 0.00 175.50 175.91 2dn4 n SER 59 N -0.97 3.31 0.00 3.54 2.88 -1.26 -3.85 113.62 117.27 2dn4 n SER 59 Ca 0.17 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 2dn4 n SER 59 Cb 0.08 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2dn4 n SER 59 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2dn4 n THR 60 N 1.33 0.28 -3.28 2.46 5.66 -0.94 -5.06 114.28 114.73 2dn4 n THR 60 Ca 0.21 -0.50 -0.25 0.00 -3.05 0.00 0.00 64.05 60.46 2dn4 n THR 60 Cb 0.54 1.04 -0.01 0.00 -1.55 0.00 0.00 70.33 70.34 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 -0.28 3.51 0.74 1.09 2.02 -1.25 -5.08 117.35 118.10 2dn4 s TYR 61 Ca 0.00 0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 57.03 2dn4 s TYR 61 Cb 0.00 -1.97 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2dn4 s TYR 61 CO 0.00 0.08 1.09 0.20 -1.57 0.00 0.00 175.55 175.35 2dn4 s GLY 62 N -3.93 1.63 0.21 0.71 0.00 -1.26 -4.81 107.32 99.87 2dn4 s GLY 62 Ca 0.41 -0.20 -0.10 0.00 0.00 0.00 0.00 44.72 44.83 2dn4 s GLY 62 CO 0.36 0.18 1.82 -2.22 0.00 0.00 0.00 173.10 173.25 2dn4 h ILE 63 N -0.85 1.02 -0.02 0.90 5.03 -1.99 0.19 117.51 121.79 2dn4 h ILE 63 Ca -0.46 -0.25 -0.19 0.00 -0.12 0.00 0.00 64.86 63.84 2dn4 h ILE 63 Cb 1.25 0.22 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 2dn4 h ILE 63 CO 0.61 0.13 -0.82 1.55 -0.68 0.00 0.00 178.15 178.94 2dn4 h PRO 64 N 0.74 0.26 -0.75 2.37 0.13 -2.00 -2.64 132.00 130.11 2dn4 h PRO 64 Ca 0.28 -0.25 -0.05 0.00 -0.87 0.00 0.00 66.00 65.11 2dn4 h PRO 64 Cb 0.11 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2dn4 h PRO 64 CO -0.15 0.95 0.26 0.00 -0.23 0.00 0.00 178.00 178.83 2dn4 h ARG 65 N 0.16 1.15 0.23 0.86 3.08 -1.72 -2.66 114.38 115.47 2dn4 h ARG 65 Ca -0.04 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2dn4 h ARG 65 Cb 1.42 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dn4 h ARG 65 CO 0.13 0.96 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.81 2dn4 h LEU 66 N 1.10 -0.26 -0.98 3.04 3.38 -0.64 -2.85 115.31 118.10 2dn4 h LEU 66 Ca 0.24 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2dn4 h LEU 66 Cb 0.27 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2dn4 h LEU 66 CO -0.01 0.08 -0.58 -0.33 0.09 0.00 0.00 178.44 177.68 2dn4 h GLU 67 N -0.62 -0.01 -0.50 1.13 5.08 -1.34 0.32 114.58 118.63 2dn4 h GLU 67 Ca -0.03 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2dn4 h GLU 67 Cb 0.45 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2dn4 h GLU 67 CO 0.05 -0.01 -0.26 0.00 -1.00 0.00 0.00 179.01 177.79 2dn4 h ARG 68 N -0.01 -0.14 -1.06 2.33 3.08 -1.49 0.79 114.38 117.87 2dn4 h ARG 68 Ca 0.16 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.50 2dn4 h ARG 68 Cb 0.42 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 2dn4 h ARG 68 CO -0.93 -0.10 0.70 0.82 -1.07 0.00 0.00 179.97 179.39 2dn4 h ILE 69 N -0.15 0.50 0.01 2.04 2.04 -0.20 1.72 117.51 123.47 2dn4 h ILE 69 Ca 0.22 -0.10 -0.20 0.00 1.00 0.00 0.00 64.86 65.78 2dn4 h ILE 69 Cb 0.50 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2dn4 h ILE 69 CO -0.59 0.06 -0.94 -0.07 0.00 0.00 0.00 178.15 176.61 2dn4 h LEU 70 N 0.30 0.04 -0.21 1.44 3.38 0.20 -1.85 115.31 118.62 2dn4 h LEU 70 Ca 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2dn4 h LEU 70 Cb 1.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2dn4 h LEU 70 CO -0.24 0.95 0.00 -0.07 0.09 0.00 0.00 178.44 179.18 2dn4 h LEU 71 N 0.01 0.00 -1.72 1.67 3.38 0.58 -2.80 115.31 116.43 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 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2dn4 h LEU 71 CO 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.57 2dn4 n ALA 72 N -2.05 2.66 -0.34 1.53 0.00 0.39 -4.33 120.51 118.36 2dn4 n ALA 72 Ca 0.04 -0.67 0.17 0.00 0.00 0.00 0.00 53.44 52.98 2dn4 n ALA 72 Cb 0.48 -0.82 0.38 0.00 0.00 0.00 0.00 19.45 19.49 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 4.20 0.59 0.00 0.00 2.10 -1.05 2.19 116.57 124.60 2dn4 h LYS 73 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2dn4 h LYS 73 Cb 0.93 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2dn4 h LYS 73 CO 0.00 0.39 0.01 0.39 -2.00 0.00 0.00 179.45 178.24 2dn4 n GLU 74 N -4.82 0.14 -0.03 0.07 1.02 -1.26 -2.16 120.64 113.60 2dn4 n GLU 74 Ca 0.26 0.63 -0.04 0.00 -0.02 0.00 0.00 57.16 58.00 2dn4 n GLU 74 Cb 0.71 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2dn4 n GLU 74 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dn4 n ARG 75 N -2.24 1.28 -1.29 3.49 5.12 0.62 -5.04 116.66 118.60 2dn4 n ARG 75 Ca -0.01 0.02 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 2dn4 n ARG 75 Cb 0.04 -1.13 -0.02 0.00 -1.16 0.00 0.00 32.46 30.20 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 -2.50 1.36 -3.59 0.55 5.41 0.50 -3.92 119.36 117.17 2dn4 n ILE 76 Ca -0.10 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.04 2dn4 n ILE 76 Cb 0.63 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.50 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 0.81 -0.37 0.38 3.52 0.31 -4.79 118.95 117.85 2dn4 s ARG 77 Ca 0.59 0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 56.72 2dn4 s ARG 77 Cb -0.77 0.39 0.07 0.00 -1.56 0.00 0.00 34.95 33.08 2dn4 s ARG 77 CO 0.56 -0.17 0.15 -0.06 -0.81 0.00 0.00 175.30 174.97 2dn4 s PHE 78 N -0.32 3.35 0.17 5.12 0.40 -1.26 0.19 117.98 125.63 2dn4 s PHE 78 Ca -0.03 -1.73 -0.25 0.00 -0.60 0.00 0.00 56.93 54.32 2dn4 s PHE 78 Cb -0.03 -2.65 -0.08 0.00 0.51 0.00 0.00 43.02 40.77 2dn4 s PHE 78 CO 0.02 -0.83 0.79 0.08 0.70 0.00 0.00 175.22 175.99 2dn4 s VAL 79 N 1.33 4.35 -0.56 -0.44 1.01 -0.91 -4.73 120.40 120.45 2dn4 s VAL 79 Ca 0.01 1.72 0.06 0.00 0.00 0.00 0.00 61.98 63.77 2dn4 s VAL 79 Cb -0.21 -4.14 0.21 0.00 0.00 0.00 0.00 36.38 32.24 2dn4 s VAL 79 CO 0.01 0.51 0.55 -0.38 0.00 0.00 0.00 175.10 175.79 2dn4 n ILE 80 N 1.54 0.81 0.06 2.22 2.08 -1.26 -3.52 119.36 121.29 2dn4 n ILE 80 Ca -0.05 -4.52 -0.12 0.00 0.56 0.00 0.00 62.75 58.62 2dn4 n ILE 80 Cb 0.49 -2.01 -0.06 0.00 -0.75 0.00 0.00 39.64 37.31 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 4.73 -0.15 -4.90 0.38 1.79 -1.86 -3.38 116.57 113.18 2dn4 h LYS 81 Ca 0.17 0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.99 2dn4 h LYS 81 Cb 0.78 0.03 -0.25 0.00 -1.58 0.00 0.00 32.23 31.22 2dn4 h LYS 81 CO 0.63 -0.10 -0.64 0.15 -1.08 0.00 0.00 179.45 178.42 2dn4 s LYS 82 N -6.17 3.40 -0.18 3.15 1.02 -1.26 -4.97 119.74 114.73 2dn4 s LYS 82 Ca -0.14 -0.64 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 2dn4 s LYS 82 Cb 0.07 -3.30 -0.14 0.00 -0.52 0.00 0.00 37.83 33.94 2dn4 s LYS 82 CO 0.66 -0.29 0.14 0.45 -0.92 0.00 0.00 175.35 175.39 2dn4 h HIS 83 N 8.22 0.00 -0.99 3.18 3.86 -1.99 -3.37 115.15 124.06 2dn4 h HIS 83 Ca -0.36 0.00 0.36 0.00 -1.16 0.00 0.00 60.37 59.21 2dn4 h HIS 83 Cb 1.15 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.45 2dn4 h HIS 83 CO 0.63 0.94 0.40 1.05 0.86 0.00 0.00 177.93 181.82 2dn4 h GLU 84 N -1.00 0.05 -0.94 2.45 4.11 -1.97 1.30 114.58 118.59 2dn4 h GLU 84 Ca -0.20 -0.00 0.28 0.00 0.07 0.00 0.00 59.36 59.51 2dn4 h GLU 84 Cb 0.98 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.07 2dn4 h GLU 84 CO -0.12 0.04 0.34 -0.07 0.07 0.00 0.00 179.01 179.26 2dn4 h LEU 85 N 0.06 0.13 0.06 3.06 3.38 -2.00 -1.40 115.31 118.60 2dn4 h LEU 85 Ca 0.76 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.94 2dn4 h LEU 85 Cb 1.87 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.88 2dn4 h LEU 85 CO -0.78 -0.20 -0.03 -0.07 0.09 0.00 0.00 178.44 177.45 2dn4 h LEU 86 N 0.20 -0.06 0.00 1.67 3.38 0.15 -3.44 115.31 117.20 2dn4 h LEU 86 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2dn4 h LEU 86 Cb 1.41 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2dn4 h LEU 86 CO -0.69 -0.04 0.00 -3.20 0.09 0.00 0.00 178.44 174.60 2dn4 n ASN 87 N -2.23 0.00 -4.91 -0.43 2.85 -0.53 -4.80 115.26 105.22 2dn4 n ASN 87 Ca -0.01 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.19 2dn4 n ASN 87 Cb 0.03 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.04 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2dn4 s SER 88 N 0.00 6.31 -0.46 1.20 0.15 -1.26 -5.04 113.70 114.59 2dn4 s SER 88 Ca 0.00 0.90 0.06 0.00 0.70 0.00 0.00 55.95 57.61 2dn4 s SER 88 Cb 0.00 -2.23 0.30 0.00 -1.71 0.00 0.00 66.02 62.38 2dn4 s SER 88 CO 0.00 -0.51 1.08 1.07 1.20 0.00 0.00 173.24 176.08 2dn4 n THR 89 N -2.02 0.00 -1.52 6.45 5.66 -1.26 -5.12 114.28 116.47 2dn4 n THR 89 Ca 0.00 -1.49 -0.58 0.00 -3.05 0.00 0.00 64.05 58.93 2dn4 n THR 89 Cb 0.55 1.49 -0.08 0.00 -1.55 0.00 0.00 70.33 70.75 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 0.62 0.17 -3.21 1.09 5.12 -1.26 -4.88 116.66 114.30 2dn4 n ARG 90 Ca 0.06 0.06 -0.27 0.00 -1.93 0.00 0.00 57.85 55.78 2dn4 n ARG 90 Cb 0.69 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 30.34 2dn4 n ARG 90 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dn4 n GLU 91 N 1.70 2.80 -3.49 5.56 1.02 -1.26 -4.37 120.64 122.60 2dn4 n GLU 91 Ca 0.20 -4.72 0.01 0.00 -0.02 0.00 0.00 57.16 52.63 2dn4 n GLU 91 Cb 0.09 -2.23 -0.05 0.00 -0.02 0.00 0.00 31.44 29.23 2dn4 n GLU 91 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dn4 s ASP 92 N -2.90 -0.34 -0.40 1.62 2.15 -1.25 -4.98 116.67 110.58 2dn4 s ASP 92 Ca 0.44 0.50 -0.08 0.00 0.43 0.00 0.00 52.55 53.83 2dn4 s ASP 92 Cb 0.21 1.27 0.07 0.00 -0.30 0.00 0.00 42.92 44.16 2dn4 s ASP 92 CO -0.07 -0.07 0.22 -0.22 -0.17 0.00 0.00 175.17 174.85 2dn4 s LEU 93 N 1.72 4.94 -0.38 -1.34 1.98 -1.26 -4.77 118.68 119.57 2dn4 s LEU 93 Ca -0.05 -1.42 -0.30 0.00 -2.89 0.00 0.00 54.13 49.47 2dn4 s LEU 93 Cb -0.03 -1.95 0.04 0.00 0.66 0.00 0.00 46.19 44.91 2dn4 s LEU 93 CO -0.15 -0.48 0.55 -1.54 -1.89 0.00 0.00 176.35 172.85 2dn4 n SER 94 N 4.88 -6.04 -3.67 3.68 3.41 -1.26 -3.74 113.62 110.89 2dn4 n SER 94 Ca -0.10 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 2dn4 n SER 94 Cb 0.43 -2.24 -0.10 0.00 -0.26 0.00 0.00 64.21 62.04 2dn4 n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dn4 s GLY 95 N -1.56 -0.37 -0.02 5.00 0.00 -1.26 -4.77 107.32 104.33 2dn4 s GLY 95 Ca 0.31 1.57 -0.22 0.00 0.00 0.00 0.00 44.72 46.38 2dn4 s GLY 95 CO 0.75 2.23 1.10 -0.56 0.00 0.00 0.00 173.10 176.62 2dn4 h PRO 96 N 7.84 0.30 -3.83 2.90 0.13 -2.02 -3.50 132.00 133.81 2dn4 h PRO 96 Ca -0.22 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2dn4 h PRO 96 Cb 1.13 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dn4 h PRO 96 CO 0.17 0.97 -0.91 0.45 -0.23 0.00 0.00 178.00 178.45 2dn4 n SER 97 N -4.39 -8.93 0.23 1.44 2.88 -1.26 -4.87 113.62 98.72 2dn4 n SER 97 Ca -0.09 1.27 -0.12 0.00 -1.33 0.00 0.00 58.87 58.60 2dn4 n SER 97 Cb 0.56 -4.79 -0.06 0.00 -0.75 0.00 0.00 64.21 59.16 2dn4 n SER 97 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dn4 h SER 98 N 2.40 -0.53 0.00 -3.46 0.87 -2.08 -3.57 113.55 107.18 2dn4 h SER 98 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2dn4 h SER 98 Cb 0.00 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2dn4 h SER 98 CO 0.00 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.79