#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 6.32 0.42 1.61 0.01 -1.26 -4.74 113.70 116.06 2dn4 s SER 2 Ca 0.00 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2dn4 s SER 2 Cb 0.00 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2dn4 s SER 2 CO 0.00 -0.64 0.00 -1.20 0.41 0.00 0.00 173.24 171.81 2dn4 n SER 3 N 6.00 -7.57 0.00 2.44 7.64 -1.26 -4.89 113.62 115.98 2dn4 n SER 3 Ca -0.03 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2dn4 n SER 3 Cb 0.48 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.76 2dn4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 4 N -0.67 0.98 3.83 0.23 0.00 -1.26 -4.92 105.19 103.38 2dn4 n GLY 4 Ca 0.00 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 6.90 -0.01 1.61 0.01 -1.26 -5.03 113.70 111.92 2dn4 s SER 5 Ca 0.00 1.10 -0.02 0.00 1.31 0.00 0.00 55.95 58.35 2dn4 s SER 5 Cb 0.00 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2dn4 s SER 5 CO 0.00 0.22 0.26 0.28 0.41 0.00 0.00 173.24 174.41 2dn4 h SER 6 N 4.18 -0.05 -1.61 2.44 0.02 -1.91 -3.42 113.55 113.19 2dn4 h SER 6 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2dn4 h SER 6 Cb 1.21 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2dn4 h SER 6 CO 0.64 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 2dn4 n GLY 7 N 1.25 4.16 0.24 -3.77 0.00 -1.26 -3.96 105.19 101.84 2dn4 n GLY 7 Ca -0.01 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.00 -0.92 0.99 3.38 -1.98 0.90 115.31 116.69 2dn4 h LEU 8 Ca 0.00 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.29 2dn4 h LEU 8 Cb 0.00 0.41 -0.17 0.00 0.09 0.00 0.00 40.66 40.99 2dn4 h LEU 8 CO 0.00 -0.21 -0.21 -0.09 0.09 0.00 0.00 178.44 178.02 2dn4 h ARG 9 N -0.20 0.00 -0.56 1.13 2.43 -1.93 1.19 114.38 116.44 2dn4 h ARG 9 Ca 0.04 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2dn4 h ARG 9 Cb 0.31 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2dn4 h ARG 9 CO -0.32 0.00 0.34 -0.22 -1.51 0.00 0.00 179.97 178.26 2dn4 h LYS 10 N 0.00 0.75 0.16 0.20 3.64 -1.23 1.50 116.57 121.59 2dn4 h LYS 10 Ca 0.45 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2dn4 h LYS 10 Cb 0.70 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2dn4 h LYS 10 CO -0.94 0.54 -0.16 1.96 -2.27 0.00 0.00 179.45 178.58 2dn4 h GLN 11 N 0.75 -0.33 -0.43 1.90 4.20 0.84 0.39 115.11 122.43 2dn4 h GLN 11 Ca 0.20 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.85 2dn4 h GLN 11 Cb -0.03 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2dn4 h GLN 11 CO -0.04 -0.22 -0.04 0.28 -0.67 0.00 0.00 178.83 178.14 2dn4 h VAL 12 N -0.35 1.27 0.01 -0.54 2.07 0.30 0.22 116.25 119.23 2dn4 h VAL 12 Ca 0.00 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.45 2dn4 h VAL 12 Cb 0.33 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2dn4 h VAL 12 CO -0.04 0.37 -0.27 -0.33 0.02 0.00 0.00 177.57 177.33 2dn4 h GLU 13 N 0.62 -0.41 -0.26 1.57 5.08 0.25 1.53 114.58 122.95 2dn4 h GLU 13 Ca 0.12 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2dn4 h GLU 13 Cb 0.54 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2dn4 h GLU 13 CO 0.03 -0.27 -0.21 0.93 -1.00 0.00 0.00 179.01 178.48 2dn4 h GLU 14 N -0.42 0.49 0.31 2.33 4.39 -0.16 -2.75 114.58 118.76 2dn4 h GLU 14 Ca 0.06 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2dn4 h GLU 14 Cb 0.50 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2dn4 h GLU 14 CO -0.23 0.68 -0.15 1.25 -1.16 0.00 0.00 179.01 179.40 2dn4 h LEU 15 N 0.44 -0.35 -0.56 1.33 5.85 0.41 -1.02 115.31 121.41 2dn4 h LEU 15 Ca 0.07 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2dn4 h LEU 15 Cb 0.62 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.64 2dn4 h LEU 15 CO 0.04 -0.02 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.38 2dn4 h PHE 16 N -0.72 -1.46 -0.18 1.25 -1.00 0.22 -0.21 116.94 114.85 2dn4 h PHE 16 Ca -0.04 0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.86 2dn4 h PHE 16 Cb 0.49 0.71 -0.04 0.00 3.61 0.00 0.00 35.95 40.73 2dn4 h PHE 16 CO 0.02 -0.44 -0.06 0.93 -1.61 0.00 0.00 178.31 177.15 2dn4 h GLU 17 N -0.26 -0.02 -0.38 1.51 5.08 -1.51 -2.55 114.58 116.44 2dn4 h GLU 17 Ca 0.15 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2dn4 h GLU 17 Cb 0.56 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2dn4 h GLU 17 CO -0.68 -0.01 -0.28 0.00 -1.00 0.00 0.00 179.01 177.03 2dn4 h ARG 18 N -0.02 -0.07 -0.66 2.33 3.08 0.32 1.26 114.38 120.61 2dn4 h ARG 18 Ca 0.09 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2dn4 h ARG 18 Cb 0.16 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.12 2dn4 h ARG 18 CO -0.20 -0.04 -0.54 0.87 -1.07 0.00 0.00 179.97 178.99 2dn4 h LYS 19 N -0.07 -0.21 -0.52 0.04 1.79 -1.04 1.14 116.57 117.69 2dn4 h LYS 19 Ca 0.06 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.64 2dn4 h LYS 19 Cb 0.23 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.85 2dn4 h LYS 19 CO -0.40 -0.14 0.05 -0.92 -1.08 0.00 0.00 179.45 176.96 2dn4 h TYR 20 N -0.22 0.06 -0.82 -1.35 3.20 -0.69 0.20 116.97 117.35 2dn4 h TYR 20 Ca 0.13 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2dn4 h TYR 20 Cb 0.53 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2dn4 h TYR 20 CO -0.83 -0.08 0.54 0.00 -1.64 0.00 0.00 178.16 176.16 2dn4 h ALA 21 N 1.44 1.43 -0.46 1.82 0.00 0.46 -1.83 119.26 122.11 2dn4 h ALA 21 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2dn4 h ALA 21 Cb 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2dn4 h ALA 21 CO -0.40 0.53 0.16 1.96 0.00 0.00 0.00 179.25 181.50 2dn4 h GLN 22 N 1.10 0.71 0.00 0.00 4.20 0.38 1.78 115.11 123.28 2dn4 h GLN 22 Ca 0.30 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2dn4 h GLN 22 Cb -0.11 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.56 2dn4 h GLN 22 CO -0.07 0.67 0.02 0.00 -0.67 0.00 0.00 178.83 178.78 2dn4 h ALA 23 N 1.01 1.02 0.00 3.87 0.00 0.09 0.25 119.26 125.50 2dn4 h ALA 23 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dn4 h ALA 23 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dn4 h ALA 23 CO -0.01 -0.02 -0.04 0.44 0.00 0.00 0.00 179.25 179.63 2dn4 n ILE 24 N -2.77 1.15 -3.99 0.00 -5.35 -0.43 -5.01 119.36 102.97 2dn4 n ILE 24 Ca -0.02 -1.29 -0.43 0.00 -0.27 0.00 0.00 62.75 60.74 2dn4 n ILE 24 Cb 0.08 0.28 0.02 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.76 -0.50 -3.89 6.28 4.76 0.45 -4.91 118.16 119.59 2dn4 n LYS 25 Ca 0.06 0.20 -0.36 0.00 -2.87 0.00 0.00 58.31 55.34 2dn4 n LYS 25 Cb 0.45 -2.76 -0.12 0.00 -1.84 0.00 0.00 35.03 30.75 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 -3.47 3.11 -0.34 7.82 0.00 0.50 -4.96 121.76 124.42 2dn4 s ALA 26 Ca 0.45 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2dn4 s ALA 26 Cb -0.23 -1.94 0.50 0.00 0.00 0.00 0.00 23.12 21.45 2dn4 s ALA 26 CO 0.95 -0.33 1.62 1.17 0.00 0.00 0.00 175.76 179.17 2dn4 n LYS 27 N 4.59 2.21 -4.16 0.00 4.81 -1.26 -4.58 118.16 119.78 2dn4 n LYS 27 Ca -0.17 -2.17 -0.11 0.00 -0.87 0.00 0.00 58.31 54.99 2dn4 n LYS 27 Cb 0.52 -1.88 -0.09 0.00 0.02 0.00 0.00 35.03 33.60 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 -0.63 1.27 -0.24 3.14 0.00 -1.26 -5.12 107.32 104.48 2dn4 s GLY 28 Ca 0.41 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 43.29 2dn4 s GLY 28 CO 0.08 -1.25 1.31 2.56 0.00 0.00 0.00 173.10 175.80 2dn4 s PRO 29 N -4.13 4.03 0.32 2.90 0.04 -1.26 -4.94 135.00 131.96 2dn4 s PRO 29 Ca 0.36 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.92 2dn4 s PRO 29 Cb 0.06 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2dn4 s PRO 29 CO 0.11 -0.97 0.14 0.14 0.04 0.00 0.00 177.00 176.46 2dn4 s VAL 30 N 4.10 3.23 -0.05 -0.36 -7.23 -1.26 -5.08 120.40 113.75 2dn4 s VAL 30 Ca 0.57 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2dn4 s VAL 30 Cb -0.19 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 2dn4 s VAL 30 CO 0.20 -0.22 0.08 -0.89 -0.31 0.00 0.00 175.10 173.96 2dn4 s THR 31 N -2.38 4.84 -0.26 5.32 2.01 -1.26 -4.87 115.64 119.04 2dn4 s THR 31 Ca 0.37 -0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 2dn4 s THR 31 Cb -0.04 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2dn4 s THR 31 CO 0.23 0.46 0.30 -0.63 -0.69 0.00 0.00 174.62 174.29 2dn4 s ILE 32 N -1.10 5.23 -0.49 1.82 1.01 -1.26 -5.03 121.20 121.39 2dn4 s ILE 32 Ca 0.19 0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.99 2dn4 s ILE 32 Cb -0.12 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.73 2dn4 s ILE 32 CO 0.10 0.21 1.45 -2.16 0.00 0.00 0.00 174.94 174.54 2dn4 s PRO 33 N 1.81 3.38 0.07 2.79 0.04 -1.26 -4.86 135.00 136.98 2dn4 s PRO 33 Ca 0.12 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 2dn4 s PRO 33 Cb -0.16 -4.10 -0.28 0.00 0.04 0.00 0.00 34.50 30.01 2dn4 s PRO 33 CO 0.10 -1.82 1.14 1.88 0.04 0.00 0.00 177.00 178.33 2dn4 h TYR 34 N 11.19 0.58 0.02 0.56 0.05 -1.99 -3.18 116.97 124.20 2dn4 h TYR 34 Ca -0.27 -0.41 -0.00 0.00 0.05 0.00 0.00 58.73 58.09 2dn4 h TYR 34 Cb 1.10 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2dn4 h TYR 34 CO 1.00 1.31 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.42 2dn4 h PRO 35 N 0.10 -0.03 -0.81 4.88 0.13 -1.99 -2.85 132.00 131.43 2dn4 h PRO 35 Ca -0.15 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.11 2dn4 h PRO 35 Cb 1.97 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.97 2dn4 h PRO 35 CO 0.21 -0.02 -0.32 1.28 -0.23 0.00 0.00 178.00 178.92 2dn4 n LEU 36 N -2.26 -0.53 -0.14 1.56 4.77 -1.26 0.17 117.00 119.31 2dn4 n LEU 36 Ca -0.00 1.41 -0.04 0.00 -0.03 0.00 0.00 56.01 57.35 2dn4 n LEU 36 Cb 0.01 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2dn4 n LEU 36 CO 0.01 -1.27 0.77 -0.26 -1.33 0.00 0.00 177.39 175.31 2dn4 h PHE 37 N 0.00 -0.28 -0.43 -1.77 -1.00 -1.68 0.46 116.94 112.24 2dn4 h PHE 37 Ca 0.28 0.04 0.12 0.00 2.81 0.00 0.00 57.97 61.22 2dn4 h PHE 37 Cb 0.48 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 2dn4 h PHE 37 CO -0.71 -0.21 0.31 1.96 -1.61 0.00 0.00 178.31 178.05 2dn4 h GLN 38 N -0.02 0.00 0.00 1.51 1.08 0.20 0.37 115.11 118.25 2dn4 h GLN 38 Ca 0.22 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.24 2dn4 h GLN 38 Cb 0.35 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2dn4 h GLN 38 CO -0.47 0.00 -0.96 0.77 -0.95 0.00 0.00 178.83 177.22 2dn4 h SER 39 N 0.00 0.00 -2.10 1.46 0.02 0.13 -3.37 113.55 109.69 2dn4 h SER 39 Ca 0.20 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.57 2dn4 h SER 39 Cb 0.82 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.96 2dn4 h SER 39 CO -0.00 0.78 -0.85 1.41 -1.14 0.00 0.00 176.83 177.02 2dn4 n HIS 40 N -3.22 1.64 1.05 3.45 8.25 0.10 -4.86 115.22 121.64 2dn4 n HIS 40 Ca -0.02 -3.86 0.14 0.00 -0.26 0.00 0.00 57.72 53.71 2dn4 n HIS 40 Cb 0.87 -0.45 0.56 0.00 1.12 0.00 0.00 29.99 32.09 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 1.10 0.00 0.03 1.59 0.24 0.25 0.23 118.33 121.78 2dn4 n VAL 41 Ca 0.26 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.45 2dn4 n VAL 41 Cb 0.47 -0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 32.36 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 0.02 0.08 0.00 7.34 5.08 -1.89 -3.41 114.58 121.81 2dn4 h GLU 42 Ca 0.00 -0.14 -0.27 0.00 -1.00 0.00 0.00 59.36 57.95 2dn4 h GLU 42 Cb 0.48 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2dn4 h GLU 42 CO 0.00 0.87 -1.85 -0.25 -1.00 0.00 0.00 179.01 176.78 2dn4 n ASP 43 N -3.28 1.70 -4.62 1.42 8.00 -1.19 -4.92 116.55 113.66 2dn4 n ASP 43 Ca -0.11 0.29 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 2dn4 n ASP 43 Cb 1.01 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 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 -7.43 4.06 -0.14 0.64 1.43 0.14 -2.29 118.68 115.09 2dn4 s LEU 44 Ca -0.30 0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 2dn4 s LEU 44 Cb 0.10 -2.45 0.13 0.00 0.03 0.00 0.00 46.19 44.00 2dn4 s LEU 44 CO 0.40 -0.16 1.06 -0.72 0.23 0.00 0.00 176.35 177.15 2dn4 s TYR 45 N 1.92 -0.27 0.18 0.29 -0.85 -1.21 -3.68 117.35 113.73 2dn4 s TYR 45 Ca 0.16 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 57.02 2dn4 s TYR 45 Cb -0.16 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 2dn4 s TYR 45 CO 0.09 -0.33 0.38 0.08 -1.52 0.00 0.00 175.55 174.25 2dn4 s VAL 46 N -1.96 5.21 0.27 -3.49 1.01 -1.26 -2.17 120.40 118.00 2dn4 s VAL 46 Ca 0.04 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2dn4 s VAL 46 Cb -0.01 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2dn4 s VAL 46 CO -0.04 -0.11 0.22 -1.61 0.00 0.00 0.00 175.10 173.56 2dn4 s GLU 47 N -3.15 1.50 0.00 2.72 2.02 0.32 -4.84 118.70 117.27 2dn4 s GLU 47 Ca 0.39 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.57 2dn4 s GLU 47 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2dn4 s GLU 47 CO 0.28 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2dn4 n GLY 48 N -0.45 0.93 3.76 -1.39 0.00 -1.25 0.18 105.19 106.97 2dn4 n GLY 48 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 3.34 0.00 0.99 1.43 -1.26 -2.69 118.68 120.48 2dn4 s LEU 49 Ca 0.00 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2dn4 s LEU 49 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2dn4 s LEU 49 CO 0.00 -1.79 0.00 -0.81 0.23 0.00 0.00 176.35 173.98 2dn4 n PRO 50 N -2.60 0.22 -3.46 1.29 -0.04 -1.26 -4.99 135.00 124.16 2dn4 n PRO 50 Ca 0.11 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.19 2dn4 n PRO 50 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.56 4.03 -0.89 0.54 -1.05 -1.26 -4.03 118.70 114.49 2dn4 s GLU 51 Ca 0.00 0.40 -0.00 0.00 -0.15 0.00 0.00 54.97 55.22 2dn4 s GLU 51 Cb 0.00 -3.28 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2dn4 s GLU 51 CO 0.00 0.56 0.02 0.41 0.95 0.00 0.00 175.26 177.19 2dn4 n GLY 52 N 2.21 -0.06 2.80 -3.83 0.00 -1.26 -4.99 105.19 100.06 2dn4 n GLY 52 Ca -0.12 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.54 -0.44 0.00 -0.61 1.01 -1.26 -5.10 121.20 112.26 2dn4 s ILE 53 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2dn4 s ILE 53 Cb -0.00 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2dn4 s ILE 53 CO 0.01 -0.46 0.00 -0.81 0.00 0.00 0.00 174.94 173.69 2dn4 n PRO 54 N 5.00 1.04 -3.68 2.79 -0.04 -1.26 -4.37 135.00 134.48 2dn4 n PRO 54 Ca 0.02 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.12 2dn4 n PRO 54 Cb 0.47 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.00 3.65 0.17 0.54 5.36 -1.26 -5.00 117.98 121.45 2dn4 s PHE 55 Ca 0.00 -2.88 0.01 0.00 -0.96 0.00 0.00 56.93 53.09 2dn4 s PHE 55 Cb 0.00 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.43 2dn4 s PHE 55 CO 0.00 -0.78 0.04 1.03 -1.46 0.00 0.00 175.22 174.05 2dn4 s ARG 56 N -0.76 1.10 -0.20 10.12 1.81 -1.26 -5.02 118.95 124.73 2dn4 s ARG 56 Ca 0.22 -1.54 -0.38 0.00 -1.72 0.00 0.00 55.73 52.31 2dn4 s ARG 56 Cb -0.13 -0.09 -0.18 0.00 -0.45 0.00 0.00 34.95 34.10 2dn4 s ARG 56 CO -0.08 -0.20 1.16 0.54 -0.68 0.00 0.00 175.30 176.03 2dn4 n ARG 57 N -0.23 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.70 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 -1.32 0.62 0.00 -1.02 0.00 0.00 32.46 31.39 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 2.33 0.75 -0.03 5.56 -0.04 -1.26 -2.43 135.00 139.88 2dn4 n PRO 58 Ca 0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 2dn4 n PRO 58 Cb 0.01 -1.44 0.53 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.94 1.16 -0.03 3.54 3.41 -1.26 -3.86 113.62 115.64 2dn4 n SER 59 Ca 0.16 -1.50 -0.04 0.00 -0.26 0.00 0.00 58.87 57.23 2dn4 n SER 59 Cb 0.07 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 2dn4 n SER 59 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dn4 n THR 60 N -0.06 0.30 -1.47 6.66 -2.24 -1.02 -5.04 114.28 111.40 2dn4 n THR 60 Ca 0.18 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2dn4 n THR 60 Cb 0.27 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2dn4 n THR 60 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dn4 n TYR 61 N -2.61 -0.16 -1.11 4.78 4.01 -1.24 -4.92 117.16 115.91 2dn4 n TYR 61 Ca -0.09 0.65 -0.30 0.00 -0.16 0.00 0.00 57.90 58.00 2dn4 n TYR 61 Cb 0.60 -2.04 0.15 0.00 -0.31 0.00 0.00 39.34 37.74 2dn4 n TYR 61 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dn4 s GLY 62 N -0.88 1.62 0.22 2.72 0.00 -1.26 -4.69 107.32 105.05 2dn4 s GLY 62 Ca 0.62 0.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.28 2dn4 s GLY 62 CO 0.58 0.50 1.80 -2.22 0.00 0.00 0.00 173.10 173.76 2dn4 h ILE 63 N -1.64 0.91 -0.02 0.90 2.04 -1.99 0.25 117.51 117.96 2dn4 h ILE 63 Ca -0.50 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 64.95 2dn4 h ILE 63 Cb 1.28 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2dn4 h ILE 63 CO 0.53 0.12 -0.81 1.55 0.00 0.00 0.00 178.15 179.54 2dn4 h PRO 64 N 0.67 0.24 -0.42 2.37 0.13 -2.00 -2.73 132.00 130.26 2dn4 h PRO 64 Ca 0.34 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 2dn4 h PRO 64 Cb 0.28 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2dn4 h PRO 64 CO -0.23 0.93 0.17 0.00 -0.23 0.00 0.00 178.00 178.64 2dn4 h ARG 65 N 0.15 0.63 0.40 0.86 3.08 -1.59 -2.68 114.38 115.22 2dn4 h ARG 65 Ca -0.04 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2dn4 h ARG 65 Cb 1.41 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2dn4 h ARG 65 CO 0.13 0.59 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.35 2dn4 h LEU 66 N 0.54 -0.45 -0.96 3.04 3.38 -0.58 -2.65 115.31 117.63 2dn4 h LEU 66 Ca 0.14 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.19 2dn4 h LEU 66 Cb 0.19 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.92 2dn4 h LEU 66 CO -0.01 -0.24 -0.44 -0.62 0.09 0.00 0.00 178.44 177.22 2dn4 n GLU 67 N -5.28 -0.29 -0.03 1.13 1.02 -1.03 0.20 120.64 116.36 2dn4 n GLU 67 Ca -0.11 1.46 -0.09 0.00 -0.02 0.00 0.00 57.16 58.40 2dn4 n GLU 67 Cb 0.25 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 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 -0.32 -1.08 3.49 3.08 -1.36 0.38 114.38 118.58 2dn4 h ARG 68 Ca 0.27 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.63 2dn4 h ARG 68 Cb 0.51 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.54 2dn4 h ARG 68 CO -0.93 -0.21 0.71 0.82 -1.07 0.00 0.00 179.97 179.29 2dn4 h ILE 69 N -0.33 0.48 0.01 2.04 2.04 0.11 1.76 117.51 123.62 2dn4 h ILE 69 Ca 0.12 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.68 2dn4 h ILE 69 Cb 0.51 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2dn4 h ILE 69 CO -0.38 0.06 -0.87 -0.07 0.00 0.00 0.00 178.15 176.88 2dn4 h LEU 70 N 0.31 0.14 -0.19 1.44 3.38 0.14 -0.34 115.31 120.19 2dn4 h LEU 70 Ca 0.61 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2dn4 h LEU 70 Cb 1.69 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2dn4 h LEU 70 CO -0.26 0.94 0.00 -0.07 0.09 0.00 0.00 178.44 179.13 2dn4 h LEU 71 N 0.06 0.00 -0.98 1.67 3.38 0.60 -2.80 115.31 117.23 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 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2dn4 h LEU 71 CO 0.12 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.29 2dn4 n ALA 72 N -1.89 3.27 -0.39 1.53 0.00 0.29 -4.41 120.51 118.91 2dn4 n ALA 72 Ca 0.04 -0.58 0.32 0.00 0.00 0.00 0.00 53.44 53.22 2dn4 n ALA 72 Cb 0.42 -0.65 0.62 0.00 0.00 0.00 0.00 19.45 19.84 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 2.16 0.18 -0.40 0.00 2.10 -0.77 2.14 116.57 121.98 2dn4 h LYS 73 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2dn4 h LYS 73 Cb 0.64 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 2dn4 h LYS 73 CO 0.00 0.12 0.27 0.93 -2.00 0.00 0.00 179.45 178.77 2dn4 h GLU 74 N 0.19 0.52 0.04 0.07 5.08 -1.79 -2.80 114.58 115.89 2dn4 h GLU 74 Ca 0.69 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.66 2dn4 h GLU 74 Cb 2.15 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 31.23 2dn4 h GLU 74 CO -0.27 0.35 -2.15 0.54 -1.00 0.00 0.00 179.01 176.47 2dn4 n ARG 75 N -4.48 0.69 -1.22 2.33 1.74 0.64 -4.97 116.66 111.38 2dn4 n ARG 75 Ca 0.03 0.18 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 2dn4 n ARG 75 Cb 0.06 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 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 -3.18 1.51 -3.58 0.55 5.41 0.36 -3.94 119.36 116.50 2dn4 n ILE 76 Ca -0.33 -0.44 -0.15 0.00 1.00 0.00 0.00 62.75 62.82 2dn4 n ILE 76 Cb 1.06 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.92 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 0.91 -0.34 0.38 3.52 0.47 -4.80 118.95 118.19 2dn4 s ARG 77 Ca 0.56 0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 56.69 2dn4 s ARG 77 Cb -0.77 0.43 0.05 0.00 -1.56 0.00 0.00 34.95 33.11 2dn4 s ARG 77 CO 0.51 -0.21 0.09 -0.06 -0.81 0.00 0.00 175.30 174.83 2dn4 s PHE 78 N -0.45 3.29 -0.02 5.12 0.40 -1.26 0.12 117.98 125.18 2dn4 s PHE 78 Ca -0.05 -1.65 -0.22 0.00 -0.60 0.00 0.00 56.93 54.42 2dn4 s PHE 78 Cb -0.02 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 41.10 2dn4 s PHE 78 CO 0.05 -0.78 0.63 0.08 0.70 0.00 0.00 175.22 175.90 2dn4 s VAL 79 N 1.34 4.95 -0.60 -0.44 1.01 -0.92 -4.76 120.40 120.97 2dn4 s VAL 79 Ca -0.02 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.34 2dn4 s VAL 79 Cb -0.20 -3.97 0.25 0.00 0.00 0.00 0.00 36.38 32.46 2dn4 s VAL 79 CO 0.01 0.36 0.69 -0.38 0.00 0.00 0.00 175.10 175.79 2dn4 n ILE 80 N 3.08 1.77 0.11 2.22 2.08 -1.26 -3.34 119.36 124.02 2dn4 n ILE 80 Ca -0.05 -4.98 -0.13 0.00 0.56 0.00 0.00 62.75 58.15 2dn4 n ILE 80 Cb 0.51 -2.08 -0.06 0.00 -0.75 0.00 0.00 39.64 37.27 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 4.22 -0.47 -4.83 0.38 1.79 -1.83 -3.38 116.57 112.45 2dn4 h LYS 81 Ca 0.18 0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 58.01 2dn4 h LYS 81 Cb 0.71 0.11 -0.21 0.00 -1.58 0.00 0.00 32.23 31.25 2dn4 h LYS 81 CO 0.76 -0.31 -0.56 0.15 -1.08 0.00 0.00 179.45 178.41 2dn4 s LYS 82 N -6.05 3.53 -0.20 3.15 1.02 -1.26 -4.96 119.74 114.97 2dn4 s LYS 82 Ca -0.16 -0.59 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 2dn4 s LYS 82 Cb 0.08 -3.54 -0.18 0.00 -0.52 0.00 0.00 37.83 33.66 2dn4 s LYS 82 CO 0.65 -0.32 0.23 0.45 -0.92 0.00 0.00 175.35 175.44 2dn4 h HIS 83 N 8.34 0.00 -0.99 3.18 3.86 -1.99 -3.37 115.15 124.18 2dn4 h HIS 83 Ca -0.34 0.00 0.36 0.00 -1.16 0.00 0.00 60.37 59.23 2dn4 h HIS 83 Cb 1.16 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.46 2dn4 h HIS 83 CO 0.67 1.31 0.51 1.05 0.86 0.00 0.00 177.93 182.33 2dn4 h GLU 84 N -1.00 0.14 -0.82 2.45 4.11 -1.96 0.76 114.58 118.25 2dn4 h GLU 84 Ca -0.28 -0.01 0.18 0.00 0.07 0.00 0.00 59.36 59.32 2dn4 h GLU 84 Cb 1.20 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 2dn4 h GLU 84 CO -0.17 0.09 -0.10 -0.07 0.07 0.00 0.00 179.01 178.83 2dn4 h LEU 85 N 0.14 -0.59 0.09 3.06 3.38 -2.00 -1.63 115.31 117.77 2dn4 h LEU 85 Ca 0.78 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.98 2dn4 h LEU 85 Cb 1.91 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 43.11 2dn4 h LEU 85 CO -0.71 -0.25 -0.06 -0.07 0.09 0.00 0.00 178.44 177.44 2dn4 h LEU 86 N 0.04 -0.15 -1.66 1.67 3.38 0.34 -3.49 115.31 115.44 2dn4 h LEU 86 Ca 0.43 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2dn4 h LEU 86 Cb 0.73 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2dn4 h LEU 86 CO -0.80 -0.09 -0.77 -3.20 0.09 0.00 0.00 178.44 173.67 2dn4 n ASN 87 N -2.53 -7.83 -3.21 -0.43 2.85 -0.61 -4.74 115.26 98.76 2dn4 n ASN 87 Ca -0.02 1.34 -0.11 0.00 -0.11 0.00 0.00 54.58 55.68 2dn4 n ASN 87 Cb 0.06 -4.29 0.01 0.00 1.24 0.00 0.00 39.78 36.80 2dn4 n ASN 87 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2dn4 n SER 88 N 1.47 -6.51 -0.12 1.20 7.64 -1.26 -4.86 113.62 111.18 2dn4 n SER 88 Ca 0.00 0.37 -0.11 0.00 1.01 0.00 0.00 58.87 60.14 2dn4 n SER 88 Cb 0.00 -2.20 -0.02 0.00 -1.01 0.00 0.00 64.21 60.97 2dn4 n SER 88 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2dn4 h THR 89 N 3.05 1.26 -1.11 0.44 1.35 -1.99 -3.47 112.91 112.44 2dn4 h THR 89 Ca -0.16 -0.99 0.20 0.00 -0.55 0.00 0.00 66.41 64.91 2dn4 h THR 89 Cb 1.00 1.21 -0.31 0.00 -1.73 0.00 0.00 68.15 68.33 2dn4 h THR 89 CO 0.08 0.33 0.87 -0.13 -0.25 0.00 0.00 175.52 176.42 2dn4 s ARG 90 N -4.98 0.10 -0.29 4.72 1.81 -1.26 -4.80 118.95 114.24 2dn4 s ARG 90 Ca -0.13 0.08 -0.16 0.00 -1.72 0.00 0.00 55.73 53.80 2dn4 s ARG 90 Cb 0.09 0.05 0.16 0.00 -0.45 0.00 0.00 34.95 34.80 2dn4 s ARG 90 CO 0.78 -0.02 1.03 -1.83 -0.68 0.00 0.00 175.30 174.58 2dn4 s GLU 91 N -0.31 0.31 -0.17 3.54 1.03 -1.26 -5.18 118.70 116.66 2dn4 s GLU 91 Ca 0.07 0.57 -0.30 0.00 0.03 0.00 0.00 54.97 55.34 2dn4 s GLU 91 Cb -0.04 0.12 0.14 0.00 -0.80 0.00 0.00 34.13 33.56 2dn4 s GLU 91 CO -0.12 -0.07 1.08 0.34 -1.33 0.00 0.00 175.26 175.15 2dn4 s ASP 92 N 1.50 -0.28 -1.18 0.83 -1.08 -1.26 -5.05 116.67 110.15 2dn4 s ASP 92 Ca -0.08 0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 52.17 2dn4 s ASP 92 Cb -0.04 0.24 0.20 0.00 -1.46 0.00 0.00 42.92 41.87 2dn4 s ASP 92 CO -0.15 -0.30 2.17 -0.11 0.52 0.00 0.00 175.17 177.30 2dn4 n LEU 93 N 0.51 7.74 -3.24 -1.34 7.94 -1.26 -4.78 117.00 122.57 2dn4 n LEU 93 Ca -0.07 -5.07 0.04 0.00 -1.11 0.00 0.00 56.01 49.80 2dn4 n LEU 93 Cb 0.58 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.23 2dn4 n LEU 93 CO 0.13 2.05 0.63 -0.94 -1.11 0.00 0.00 177.39 178.15 2dn4 s SER 94 N -0.34 -0.47 -0.20 1.96 1.04 -1.26 -5.14 113.70 109.29 2dn4 s SER 94 Ca 0.48 0.45 -0.24 0.00 0.48 0.00 0.00 55.95 57.13 2dn4 s SER 94 Cb 0.20 1.46 -0.01 0.00 0.10 0.00 0.00 66.02 67.76 2dn4 s SER 94 CO -0.12 -0.09 0.79 -0.83 0.98 0.00 0.00 173.24 173.97 2dn4 s GLY 95 N 2.64 1.97 0.83 7.32 0.00 -1.26 -5.05 107.32 113.77 2dn4 s GLY 95 Ca -0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 44.72 44.51 2dn4 s GLY 95 CO -0.14 1.65 1.11 2.56 0.00 0.00 0.00 173.10 178.28 2dn4 s PRO 96 N 2.36 1.80 -0.19 2.90 0.04 -1.26 -5.08 135.00 135.57 2dn4 s PRO 96 Ca 0.35 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 2dn4 s PRO 96 Cb -0.16 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.62 2dn4 s PRO 96 CO 0.10 -1.79 1.06 0.45 0.04 0.00 0.00 177.00 176.86 2dn4 s SER 97 N -3.95 -0.32 -0.28 6.66 0.15 -1.26 -5.17 113.70 109.52 2dn4 s SER 97 Ca 0.62 0.38 -0.22 0.00 0.70 0.00 0.00 55.95 57.43 2dn4 s SER 97 Cb -0.14 0.31 0.12 0.00 -1.71 0.00 0.00 66.02 64.59 2dn4 s SER 97 CO 0.54 -0.27 0.96 -0.44 1.20 0.00 0.00 173.24 175.22 2dn4 s SER 98 N -0.95 -0.54 0.00 5.45 0.01 -1.26 -5.35 113.70 111.06 2dn4 s SER 98 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2dn4 s SER 98 Cb -0.01 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.28 2dn4 s SER 98 CO -0.01 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.09