#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 h SER 2 N 0.00 -0.38 0.00 1.61 4.64 -2.10 -3.44 113.55 113.88 2dn4 h SER 2 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2dn4 h SER 2 Cb 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2dn4 h SER 2 CO 0.00 -0.23 0.00 -1.20 -0.87 0.00 0.00 176.83 174.53 2dn4 n SER 3 N -5.27 0.00 0.00 4.97 7.64 -1.26 -4.87 113.62 114.83 2dn4 n SER 3 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dn4 n SER 3 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.00 0.60 2.16 0.23 0.00 -1.26 -4.99 105.19 101.93 2dn4 n GLY 4 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2dn4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn4 n SER 5 N 0.00 -2.94 -4.94 1.61 2.88 -1.26 -5.11 113.62 103.86 2dn4 n SER 5 Ca 0.00 0.79 -0.27 0.00 -1.33 0.00 0.00 58.87 58.06 2dn4 n SER 5 Cb 0.00 2.80 -0.03 0.00 -0.75 0.00 0.00 64.21 66.23 2dn4 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn4 s SER 6 N -3.04 6.35 0.00 -3.46 0.01 -1.26 -4.73 113.70 107.58 2dn4 s SER 6 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2dn4 s SER 6 Cb 0.00 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2dn4 s SER 6 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2dn4 n GLY 7 N -0.56 2.92 0.39 3.44 0.00 -1.26 -4.71 105.19 105.41 2dn4 n GLY 7 Ca -0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.48 -0.87 0.99 3.38 -1.95 0.39 115.31 115.77 2dn4 h LEU 8 Ca 0.00 0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.32 2dn4 h LEU 8 Cb 0.00 0.68 -0.12 0.00 0.09 0.00 0.00 40.66 41.30 2dn4 h LEU 8 CO 0.00 -0.33 -0.42 -1.14 0.09 0.00 0.00 178.44 176.64 2dn4 n ARG 9 N -5.41 -0.28 0.21 1.13 0.63 -1.26 -0.34 116.66 111.33 2dn4 n ARG 9 Ca 0.02 1.32 -0.14 0.00 -0.92 0.00 0.00 57.85 58.13 2dn4 n ARG 9 Cb 0.35 -1.96 -0.08 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.75 -0.93 -0.14 3.11 -1.24 0.95 116.57 117.57 2dn4 h LYS 10 Ca 0.23 0.05 0.37 0.00 -2.81 0.00 0.00 60.65 58.48 2dn4 h LYS 10 Cb 0.44 0.17 -0.17 0.00 -1.00 0.00 0.00 32.23 31.68 2dn4 h LYS 10 CO -0.84 -0.50 0.42 1.04 -2.81 0.00 0.00 179.45 176.76 2dn4 n GLN 11 N -4.90 -0.06 0.01 1.90 6.02 0.54 0.19 117.38 121.07 2dn4 n GLN 11 Ca -0.09 1.30 -0.17 0.00 -0.01 0.00 0.00 57.00 58.02 2dn4 n GLN 11 Cb 0.37 -2.28 -0.12 0.00 1.02 0.00 0.00 30.24 29.23 2dn4 n GLN 11 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dn4 h VAL 12 N 0.00 1.47 -0.42 5.09 2.07 0.40 -1.43 116.25 123.43 2dn4 h VAL 12 Ca 0.75 -2.15 0.08 0.00 0.82 0.00 0.00 66.70 66.20 2dn4 h VAL 12 Cb 1.93 2.75 -0.07 0.00 -1.52 0.00 0.00 31.29 34.38 2dn4 h VAL 12 CO -0.74 0.61 -0.00 -0.33 0.02 0.00 0.00 177.57 177.13 2dn4 h GLU 13 N -0.24 0.10 -0.47 1.57 5.08 0.98 1.22 114.58 122.83 2dn4 h GLU 13 Ca -0.08 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2dn4 h GLU 13 Cb 1.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2dn4 h GLU 13 CO 0.11 0.07 -0.20 0.93 -1.00 0.00 0.00 179.01 178.92 2dn4 h GLU 14 N 0.11 0.96 0.17 2.33 4.39 0.18 -2.77 114.58 119.95 2dn4 h GLU 14 Ca 0.21 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2dn4 h GLU 14 Cb 0.30 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2dn4 h GLU 14 CO -0.35 1.07 -0.08 1.25 -1.16 0.00 0.00 179.01 179.74 2dn4 h LEU 15 N 0.80 -0.20 -0.54 1.33 5.85 -0.14 -0.16 115.31 122.25 2dn4 h LEU 15 Ca 0.11 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2dn4 h LEU 15 Cb 0.77 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 2dn4 h LEU 15 CO 0.06 -0.05 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.50 2dn4 h PHE 16 N -0.32 -0.96 -0.12 1.25 -1.00 0.15 -0.37 116.94 115.56 2dn4 h PHE 16 Ca -0.02 0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.83 2dn4 h PHE 16 Cb 0.25 0.50 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2dn4 h PHE 16 CO -0.04 -0.39 0.05 0.93 -1.61 0.00 0.00 178.31 177.26 2dn4 h GLU 17 N -0.19 0.12 -0.47 1.51 5.08 -1.36 -2.80 114.58 116.46 2dn4 h GLU 17 Ca 0.21 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2dn4 h GLU 17 Cb 0.55 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2dn4 h GLU 17 CO -0.65 0.08 -0.35 0.00 -1.00 0.00 0.00 179.01 177.09 2dn4 h ARG 18 N 0.12 -0.09 -0.50 2.33 2.47 0.60 1.61 114.38 120.92 2dn4 h ARG 18 Ca 0.05 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.82 2dn4 h ARG 18 Cb 0.01 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.27 2dn4 h ARG 18 CO -0.04 -0.06 -0.47 0.87 0.56 0.00 0.00 179.97 180.84 2dn4 h LYS 19 N -0.10 -0.21 -0.18 0.04 1.79 -1.16 1.16 116.57 117.92 2dn4 h LYS 19 Ca 0.08 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.61 2dn4 h LYS 19 Cb 0.29 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 2dn4 h LYS 19 CO -0.49 -0.14 -0.25 -0.92 -1.08 0.00 0.00 179.45 176.57 2dn4 h TYR 20 N -0.22 -0.68 -0.97 -1.35 3.20 -0.92 0.34 116.97 116.37 2dn4 h TYR 20 Ca 0.08 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2dn4 h TYR 20 Cb 0.44 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 2dn4 h TYR 20 CO -0.81 -0.33 0.61 0.00 -1.64 0.00 0.00 178.16 175.98 2dn4 h ALA 21 N 0.68 1.73 -0.45 1.82 0.00 0.38 0.21 119.26 123.63 2dn4 h ALA 21 Ca 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2dn4 h ALA 21 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dn4 h ALA 21 CO -0.35 -0.03 -0.21 1.96 0.00 0.00 0.00 179.25 180.63 2dn4 h GLN 22 N 0.77 0.90 0.00 0.00 1.08 0.35 2.03 115.11 120.24 2dn4 h GLN 22 Ca 0.51 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2dn4 h GLN 22 Cb 0.77 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2dn4 h GLN 22 CO -0.28 1.02 0.00 0.00 -0.95 0.00 0.00 178.83 178.62 2dn4 h ALA 23 N 0.98 1.00 0.00 3.87 0.00 0.27 -0.52 119.26 124.86 2dn4 h ALA 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dn4 h ALA 23 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2dn4 h ALA 23 CO 0.06 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.75 2dn4 n ILE 24 N -2.52 0.23 -3.37 0.00 -5.35 -0.64 -5.02 119.36 102.68 2dn4 n ILE 24 Ca -0.01 -0.57 -0.17 0.00 -0.27 0.00 0.00 62.75 61.73 2dn4 n ILE 24 Cb 0.13 0.95 0.04 0.00 -1.74 0.00 0.00 39.64 39.02 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 -0.11 -1.67 -4.33 6.28 4.76 0.56 -4.99 118.16 118.66 2dn4 n LYS 25 Ca 0.00 0.89 -0.34 0.00 -2.87 0.00 0.00 58.31 56.00 2dn4 n LYS 25 Cb 0.08 -5.07 -0.15 0.00 -1.84 0.00 0.00 35.03 28.06 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 -3.29 2.64 -0.36 7.82 0.00 0.53 -4.96 121.76 124.14 2dn4 s ALA 26 Ca 0.32 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2dn4 s ALA 26 Cb -0.07 -1.39 0.53 0.00 0.00 0.00 0.00 23.12 22.18 2dn4 s ALA 26 CO 0.79 -0.12 1.61 1.63 0.00 0.00 0.00 175.76 179.67 2dn4 n LYS 27 N 4.21 2.50 -4.18 0.00 5.02 -1.26 -4.55 118.16 119.90 2dn4 n LYS 27 Ca -0.19 -2.26 -0.12 0.00 -2.02 0.00 0.00 58.31 53.73 2dn4 n LYS 27 Cb 0.52 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dn4 s GLY 28 N -0.66 1.37 -0.24 0.72 0.00 -1.26 -5.12 107.32 102.13 2dn4 s GLY 28 Ca 0.42 -1.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 2dn4 s GLY 28 CO 0.09 -1.33 1.32 2.56 0.00 0.00 0.00 173.10 175.73 2dn4 s PRO 29 N -4.14 4.03 0.35 2.90 0.04 -1.26 -4.93 135.00 131.99 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 0.06 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2dn4 s PRO 29 CO 0.12 -0.97 0.17 0.14 0.04 0.00 0.00 177.00 176.50 2dn4 s VAL 30 N 4.10 2.98 -0.07 -0.36 -7.23 -1.26 -5.13 120.40 113.42 2dn4 s VAL 30 Ca 0.57 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 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 0.20 -0.16 0.08 -0.89 -0.31 0.00 0.00 175.10 174.02 2dn4 s THR 31 N -2.43 4.88 -0.24 5.32 2.01 -1.26 -4.86 115.64 119.06 2dn4 s THR 31 Ca 0.39 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 2dn4 s THR 31 Cb -0.02 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2dn4 s THR 31 CO 0.23 0.53 0.26 -0.63 -0.69 0.00 0.00 174.62 174.33 2dn4 s ILE 32 N -1.04 5.28 -0.53 1.82 1.01 -1.26 -5.03 121.20 121.46 2dn4 s ILE 32 Ca 0.17 0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.93 2dn4 s ILE 32 Cb -0.12 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2dn4 s ILE 32 CO 0.07 0.28 1.48 -2.16 0.00 0.00 0.00 174.94 174.60 2dn4 s PRO 33 N 1.37 3.29 0.05 2.79 0.04 -1.26 -4.85 135.00 136.42 2dn4 s PRO 33 Ca 0.12 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 2dn4 s PRO 33 Cb -0.14 -4.14 -0.32 0.00 0.04 0.00 0.00 34.50 29.94 2dn4 s PRO 33 CO 0.07 -1.94 1.05 1.88 0.04 0.00 0.00 177.00 178.09 2dn4 h TYR 34 N 11.46 0.71 0.05 0.56 0.05 -1.99 -3.20 116.97 124.60 2dn4 h TYR 34 Ca -0.27 -0.52 -0.00 0.00 0.05 0.00 0.00 58.73 57.99 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 1.02 1.42 -0.02 -1.00 -1.05 0.00 0.00 178.16 178.53 2dn4 h PRO 35 N 0.11 -0.06 -0.82 4.88 0.13 -1.99 -2.92 132.00 131.32 2dn4 h PRO 35 Ca -0.20 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.06 2dn4 h PRO 35 Cb 2.07 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 33.08 2dn4 h PRO 35 CO 0.23 -0.04 -0.31 1.28 -0.23 0.00 0.00 178.00 178.93 2dn4 n LEU 36 N -2.58 -0.52 -0.15 1.56 4.77 -1.26 0.17 117.00 118.98 2dn4 n LEU 36 Ca -0.01 1.44 -0.03 0.00 -0.03 0.00 0.00 56.01 57.38 2dn4 n LEU 36 Cb 0.03 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2dn4 n LEU 36 CO 0.02 -1.30 0.78 -0.26 -1.33 0.00 0.00 177.39 175.30 2dn4 h PHE 37 N 0.00 -0.23 -0.88 -1.77 -1.00 -1.68 0.43 116.94 111.81 2dn4 h PHE 37 Ca 0.30 0.04 0.15 0.00 2.81 0.00 0.00 57.97 61.27 2dn4 h PHE 37 Cb 0.50 0.17 -0.07 0.00 3.61 0.00 0.00 35.95 40.17 2dn4 h PHE 37 CO -0.72 -0.20 0.57 1.96 -1.61 0.00 0.00 178.31 178.32 2dn4 h GLN 38 N 0.01 0.64 0.00 1.51 1.08 0.19 0.45 115.11 118.99 2dn4 h GLN 38 Ca 0.23 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.27 2dn4 h GLN 38 Cb 0.36 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2dn4 h GLN 38 CO -0.48 0.42 -0.60 0.77 -0.95 0.00 0.00 178.83 177.99 2dn4 h SER 39 N 0.66 0.00 -2.13 1.46 0.02 0.70 -3.34 113.55 110.92 2dn4 h SER 39 Ca 0.45 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.83 2dn4 h SER 39 Cb 0.76 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.89 2dn4 h SER 39 CO -0.20 0.60 -0.83 1.41 -1.14 0.00 0.00 176.83 176.67 2dn4 n HIS 40 N -3.38 2.18 1.05 3.45 8.25 0.12 -4.84 115.22 122.05 2dn4 n HIS 40 Ca 0.01 -3.92 0.14 0.00 -0.26 0.00 0.00 57.72 53.69 2dn4 n HIS 40 Cb 0.72 -0.47 0.60 0.00 1.12 0.00 0.00 29.99 31.95 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 0.69 0.00 0.15 1.59 0.24 0.94 0.84 118.33 122.77 2dn4 n VAL 41 Ca 0.27 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 2dn4 n VAL 41 Cb 0.47 -0.42 0.06 0.00 -1.47 0.00 0.00 33.84 32.48 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 0.01 0.00 0.00 7.34 5.08 -1.88 -3.40 114.58 121.73 2dn4 h GLU 42 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2dn4 h GLU 42 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2dn4 h GLU 42 CO 0.00 0.02 -1.24 -0.25 -1.00 0.00 0.00 179.01 176.54 2dn4 n ASP 43 N -2.86 0.44 -4.60 1.42 9.92 -1.14 -4.98 116.55 114.76 2dn4 n ASP 43 Ca 0.01 0.07 -0.39 0.00 -0.53 0.00 0.00 54.79 53.95 2dn4 n ASP 43 Cb 0.56 -0.18 -0.09 0.00 -0.64 0.00 0.00 41.12 40.77 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 -6.35 4.08 -0.15 0.64 1.43 0.25 -2.12 118.68 116.46 2dn4 s LEU 44 Ca -0.08 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2dn4 s LEU 44 Cb 0.03 -2.37 0.13 0.00 0.03 0.00 0.00 46.19 44.01 2dn4 s LEU 44 CO 0.10 -0.19 1.02 -0.72 0.23 0.00 0.00 176.35 176.79 2dn4 s TYR 45 N 2.02 -0.33 0.15 0.29 -0.85 -1.21 -3.78 117.35 113.64 2dn4 s TYR 45 Ca 0.13 0.50 -0.03 0.00 -0.52 0.00 0.00 57.07 57.15 2dn4 s TYR 45 Cb -0.16 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 2dn4 s TYR 45 CO 0.10 -0.34 0.36 0.08 -1.52 0.00 0.00 175.55 174.24 2dn4 s VAL 46 N -1.44 5.20 0.31 -3.49 1.01 -1.26 -2.18 120.40 118.56 2dn4 s VAL 46 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2dn4 s VAL 46 Cb -0.01 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2dn4 s VAL 46 CO -0.01 -0.01 0.18 -1.61 0.00 0.00 0.00 175.10 173.66 2dn4 s GLU 47 N -2.82 1.63 0.00 2.72 2.02 0.28 -4.82 118.70 117.70 2dn4 s GLU 47 Ca 0.40 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.45 2dn4 s GLU 47 Cb -0.12 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.11 2dn4 s GLU 47 CO 0.26 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.46 2dn4 n GLY 48 N -0.59 0.84 3.78 -1.39 0.00 -1.26 0.14 105.19 106.71 2dn4 n GLY 48 Ca 0.02 0.00 -0.34 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 3.58 0.94 0.99 1.43 -1.26 -2.80 118.68 121.55 2dn4 s LEU 49 Ca 0.00 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 2dn4 s LEU 49 Cb 0.00 -4.56 0.16 0.00 0.03 0.00 0.00 46.19 41.81 2dn4 s LEU 49 CO 0.00 -1.37 1.15 -2.16 0.23 0.00 0.00 176.35 174.21 2dn4 s PRO 50 N -3.70 0.90 0.33 1.29 0.04 -1.26 -4.99 135.00 127.60 2dn4 s PRO 50 Ca 0.69 0.18 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 2dn4 s PRO 50 Cb -0.21 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2dn4 s PRO 50 CO 0.34 -2.34 1.16 -2.00 0.04 0.00 0.00 177.00 174.20 2dn4 s GLU 51 N -5.36 4.40 -1.10 4.56 2.12 -1.26 -2.96 118.70 119.10 2dn4 s GLU 51 Ca 0.65 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2dn4 s GLU 51 Cb -0.13 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.27 2dn4 s GLU 51 CO 0.53 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 2dn4 n GLY 52 N 0.90 -0.04 2.86 -1.50 0.00 -1.26 -4.98 105.19 101.18 2dn4 n GLY 52 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.62 -0.54 0.00 -0.61 1.01 -1.16 -5.10 121.20 112.19 2dn4 s ILE 53 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2dn4 s ILE 53 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2dn4 s ILE 53 CO 0.00 -0.37 0.00 -0.81 0.00 0.00 0.00 174.94 173.76 2dn4 n PRO 54 N 5.05 0.66 -3.55 2.79 -0.04 -1.26 -4.28 135.00 134.37 2dn4 n PRO 54 Ca 0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 2dn4 n PRO 54 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 2dn4 n PRO 54 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dn4 n PHE 55 N -0.70 4.14 -4.36 0.54 7.35 -1.26 -4.98 117.46 118.19 2dn4 n PHE 55 Ca 0.00 -4.00 -0.18 0.00 -0.76 0.00 0.00 57.45 52.50 2dn4 n PHE 55 Cb 0.00 -1.15 -0.10 0.00 0.35 0.00 0.00 39.48 38.57 2dn4 n PHE 55 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2dn4 s ARG 56 N -1.57 1.39 -0.15 -4.13 1.81 -1.26 -4.99 118.95 110.06 2dn4 s ARG 56 Ca 0.29 -1.70 -0.37 0.00 -1.72 0.00 0.00 55.73 52.22 2dn4 s ARG 56 Cb -0.05 -0.77 -0.18 0.00 -0.45 0.00 0.00 34.95 33.51 2dn4 s ARG 56 CO -0.10 -0.06 1.10 0.54 -0.68 0.00 0.00 175.30 176.10 2dn4 n ARG 57 N -0.46 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.47 2dn4 n ARG 57 Ca -0.05 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.12 2dn4 n ARG 57 Cb 0.64 -1.32 0.55 0.00 -1.02 0.00 0.00 32.46 31.31 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 2.06 0.75 -0.06 5.56 -0.04 -1.26 -2.26 135.00 139.75 2dn4 n PRO 58 Ca 0.21 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 2dn4 n PRO 58 Cb 0.03 -1.38 0.36 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.88 2.07 -0.00 3.54 3.41 -1.26 -3.72 113.62 116.77 2dn4 n SER 59 Ca 0.14 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 2dn4 n SER 59 Cb 0.06 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.60 0.00 -2.41 6.66 -2.24 -0.96 -5.04 114.28 110.89 2dn4 n THR 60 Ca 0.17 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 2dn4 n THR 60 Cb 0.42 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.91 3.32 0.81 4.78 2.02 -1.24 -5.05 117.35 121.09 2dn4 s TYR 61 Ca 0.00 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.09 2dn4 s TYR 61 Cb 0.00 -2.85 0.08 0.00 -0.40 0.00 0.00 41.96 38.78 2dn4 s TYR 61 CO 0.00 -0.49 1.09 0.20 -1.57 0.00 0.00 175.55 174.79 2dn4 s GLY 62 N -2.83 1.63 0.21 0.71 0.00 -1.26 -4.77 107.32 101.01 2dn4 s GLY 62 Ca 0.61 -0.11 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 2dn4 s GLY 62 CO 0.29 0.31 1.82 -2.22 0.00 0.00 0.00 173.10 173.30 2dn4 h ILE 63 N -1.17 0.99 -0.02 0.90 5.03 -1.98 0.20 117.51 121.45 2dn4 h ILE 63 Ca -0.47 -0.25 -0.19 0.00 -0.12 0.00 0.00 64.86 63.83 2dn4 h ILE 63 Cb 1.26 0.19 -0.01 0.00 -3.03 0.00 0.00 36.82 35.24 2dn4 h ILE 63 CO 0.57 0.13 -0.81 1.55 -0.68 0.00 0.00 178.15 178.91 2dn4 h PRO 64 N 0.73 0.24 -0.71 2.37 0.13 -2.00 -2.63 132.00 130.13 2dn4 h PRO 64 Ca 0.30 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2dn4 h PRO 64 Cb 0.17 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 2dn4 h PRO 64 CO -0.17 0.93 0.24 0.00 -0.23 0.00 0.00 178.00 178.77 2dn4 h ARG 65 N 0.15 1.10 0.10 0.86 3.08 -1.67 -2.56 114.38 115.43 2dn4 h ARG 65 Ca -0.04 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2dn4 h ARG 65 Cb 1.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dn4 h ARG 65 CO 0.13 0.93 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.84 2dn4 h LEU 66 N 1.04 -0.11 -0.78 3.04 3.38 -0.64 -2.80 115.31 118.44 2dn4 h LEU 66 Ca 0.23 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2dn4 h LEU 66 Cb 0.28 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 2dn4 h LEU 66 CO -0.01 0.22 -0.55 -0.33 0.09 0.00 0.00 178.44 177.86 2dn4 h GLU 67 N -0.45 -0.14 -0.45 1.13 5.08 -1.32 0.18 114.58 118.61 2dn4 h GLU 67 Ca -0.01 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2dn4 h GLU 67 Cb 0.37 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 2dn4 h GLU 67 CO 0.02 -0.09 -0.26 0.00 -1.00 0.00 0.00 179.01 177.68 2dn4 h ARG 68 N -0.14 -0.16 -1.01 2.33 3.08 -1.46 0.50 114.38 117.51 2dn4 h ARG 68 Ca 0.15 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.44 2dn4 h ARG 68 Cb 0.50 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.47 2dn4 h ARG 68 CO -0.81 -0.11 0.61 0.82 -1.07 0.00 0.00 179.97 179.41 2dn4 h ILE 69 N -0.17 0.59 0.00 2.04 2.04 -0.48 1.76 117.51 123.29 2dn4 h ILE 69 Ca 0.21 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 2dn4 h ILE 69 Cb 0.50 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2dn4 h ILE 69 CO -0.55 0.11 -0.48 -0.07 0.00 0.00 0.00 178.15 177.16 2dn4 h LEU 70 N 0.63 0.00 0.00 1.44 3.38 0.20 0.59 115.31 121.54 2dn4 h LEU 70 Ca 0.62 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.47 2dn4 h LEU 70 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2dn4 h LEU 70 CO -0.43 0.48 -0.67 -0.07 0.09 0.00 0.00 178.44 177.85 2dn4 h LEU 71 N 0.00 0.00 -0.90 1.67 3.38 0.56 -3.10 115.31 116.92 2dn4 h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dn4 h LEU 71 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2dn4 h LEU 71 CO 0.06 0.51 -0.24 0.00 0.09 0.00 0.00 178.44 178.86 2dn4 n ALA 72 N -2.25 3.05 -0.35 1.53 0.00 0.49 -4.21 120.51 118.77 2dn4 n ALA 72 Ca 0.00 -0.51 0.23 0.00 0.00 0.00 0.00 53.44 53.15 2dn4 n ALA 72 Cb 0.75 -1.00 0.47 0.00 0.00 0.00 0.00 19.45 19.66 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 2.19 0.39 -0.17 0.00 2.10 -0.81 2.34 116.57 122.61 2dn4 h LYS 73 Ca 0.00 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2dn4 h LYS 73 Cb 0.64 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2dn4 h LYS 73 CO 0.00 0.26 0.14 0.93 -2.00 0.00 0.00 179.45 178.78 2dn4 h GLU 74 N 0.40 0.00 0.00 0.07 5.08 -1.81 -2.49 114.58 115.84 2dn4 h GLU 74 Ca 0.69 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.67 2dn4 h GLU 74 Cb 1.58 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 2dn4 h GLU 74 CO -0.50 0.00 -2.45 0.54 -1.00 0.00 0.00 179.01 175.60 2dn4 n ARG 75 N -4.21 0.66 -1.26 2.33 1.74 0.68 -4.99 116.66 111.61 2dn4 n ARG 75 Ca 0.01 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2dn4 n ARG 75 Cb 0.27 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.12 1.14 -3.58 0.55 5.41 0.46 -3.99 119.36 116.24 2dn4 n ILE 76 Ca -0.42 -0.47 -0.15 0.00 1.00 0.00 0.00 62.75 62.70 2dn4 n ILE 76 Cb 1.04 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 -0.94 0.90 -0.36 0.38 3.52 0.38 -4.80 118.95 118.03 2dn4 s ARG 77 Ca 0.58 0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 56.69 2dn4 s ARG 77 Cb -0.72 0.43 0.06 0.00 -1.56 0.00 0.00 34.95 33.16 2dn4 s ARG 77 CO 0.56 -0.21 0.14 -0.06 -0.81 0.00 0.00 175.30 174.92 2dn4 s PHE 78 N -0.44 3.31 -0.03 5.12 0.40 -1.26 0.10 117.98 125.18 2dn4 s PHE 78 Ca -0.05 -1.60 -0.22 0.00 -0.60 0.00 0.00 56.93 54.47 2dn4 s PHE 78 Cb -0.02 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 40.95 2dn4 s PHE 78 CO 0.05 -0.79 0.63 0.08 0.70 0.00 0.00 175.22 175.89 2dn4 s VAL 79 N 1.36 4.96 -0.59 -0.44 1.01 -0.93 -4.81 120.40 120.96 2dn4 s VAL 79 Ca 0.00 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.35 2dn4 s VAL 79 Cb -0.21 -3.97 0.23 0.00 0.00 0.00 0.00 36.38 32.43 2dn4 s VAL 79 CO 0.02 0.36 0.62 -0.38 0.00 0.00 0.00 175.10 175.71 2dn4 n ILE 80 N 3.12 1.38 -0.06 2.22 2.08 -1.26 -3.33 119.36 123.50 2dn4 n ILE 80 Ca -0.05 -4.79 -0.07 0.00 0.56 0.00 0.00 62.75 58.40 2dn4 n ILE 80 Cb 0.51 -2.06 -0.01 0.00 -0.75 0.00 0.00 39.64 37.33 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 4.51 0.06 -5.05 0.38 1.79 -1.80 -3.38 116.57 113.07 2dn4 h LYS 81 Ca 0.17 -0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.99 2dn4 h LYS 81 Cb 0.74 -0.01 -0.24 0.00 -1.58 0.00 0.00 32.23 31.13 2dn4 h LYS 81 CO 0.71 0.04 -0.67 0.15 -1.08 0.00 0.00 179.45 178.59 2dn4 s LYS 82 N -6.19 3.56 -0.12 3.15 -0.14 -1.26 -5.00 119.74 113.74 2dn4 s LYS 82 Ca -0.13 -0.54 -0.06 0.00 -1.36 0.00 0.00 55.97 53.87 2dn4 s LYS 82 Cb 0.11 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 33.12 2dn4 s LYS 82 CO 0.69 -0.10 -0.12 0.45 -0.76 0.00 0.00 175.35 175.52 2dn4 h HIS 83 N 7.85 0.00 -0.98 3.18 3.86 -1.99 -3.38 115.15 123.69 2dn4 h HIS 83 Ca -0.38 0.00 0.34 0.00 -1.16 0.00 0.00 60.37 59.17 2dn4 h HIS 83 Cb 1.17 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.48 2dn4 h HIS 83 CO 0.61 0.00 0.45 1.05 0.86 0.00 0.00 177.93 180.89 2dn4 h GLU 84 N -0.89 0.15 -1.01 2.45 4.11 -1.97 1.29 114.58 118.71 2dn4 h GLU 84 Ca 0.00 -0.01 0.31 0.00 0.07 0.00 0.00 59.36 59.73 2dn4 h GLU 84 Cb 0.34 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.41 2dn4 h GLU 84 CO 0.00 0.10 0.59 -0.07 0.07 0.00 0.00 179.01 179.70 2dn4 h LEU 85 N 0.16 0.53 0.25 3.06 3.38 -1.88 0.29 115.31 121.10 2dn4 h LEU 85 Ca 0.73 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.88 2dn4 h LEU 85 Cb 1.74 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 2dn4 h LEU 85 CO -0.71 -0.09 -0.40 -0.07 0.09 0.00 0.00 178.44 177.26 2dn4 h LEU 86 N 0.36 -1.16 0.68 1.67 3.38 0.15 -3.08 115.31 117.32 2dn4 h LEU 86 Ca 0.72 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.77 2dn4 h LEU 86 Cb 1.63 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 2dn4 h LEU 86 CO -0.57 -0.48 -0.46 0.78 0.09 0.00 0.00 178.44 177.81 2dn4 h ASN 87 N -0.69 -1.18 -2.14 -0.43 4.21 -0.88 -3.43 115.58 111.04 2dn4 h ASN 87 Ca -0.03 0.07 -0.61 0.00 1.21 0.00 0.00 56.30 56.94 2dn4 h ASN 87 Cb 0.64 0.35 0.14 0.00 -1.12 0.00 0.00 38.32 38.33 2dn4 h ASN 87 CO -0.13 -0.68 -0.46 -0.24 -1.29 0.00 0.00 177.43 174.63 2dn4 n SER 88 N -5.31 -1.06 0.00 5.81 2.88 0.77 -4.71 113.62 112.01 2dn4 n SER 88 Ca -0.13 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2dn4 n SER 88 Cb 0.46 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2dn4 n SER 88 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2dn4 n THR 89 N -0.75 0.00 -1.82 2.46 5.66 -1.26 -4.83 114.28 113.74 2dn4 n THR 89 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2dn4 n THR 89 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 -0.34 -3.57 -3.35 1.09 5.12 -1.26 -5.04 116.66 109.30 2dn4 n ARG 90 Ca 0.00 2.74 -0.16 0.00 -1.93 0.00 0.00 57.85 58.49 2dn4 n ARG 90 Cb 0.00 -3.23 -0.07 0.00 -1.16 0.00 0.00 32.46 27.99 2dn4 n ARG 90 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2dn4 s GLU 91 N -1.16 0.65 0.24 5.56 2.12 -1.26 -5.13 118.70 119.73 2dn4 s GLU 91 Ca 0.00 -0.85 -0.31 0.00 0.36 0.00 0.00 54.97 54.17 2dn4 s GLU 91 Cb 0.00 -0.69 -0.14 0.00 0.26 0.00 0.00 34.13 33.56 2dn4 s GLU 91 CO 0.00 -1.20 1.24 -0.25 -0.54 0.00 0.00 175.26 174.51 2dn4 n ASP 92 N 4.23 2.03 -3.72 -1.70 9.92 -1.26 -4.97 116.55 121.08 2dn4 n ASP 92 Ca 0.11 1.16 -0.28 0.00 -0.53 0.00 0.00 54.79 55.25 2dn4 n ASP 92 Cb 0.46 -1.34 -0.16 0.00 -0.64 0.00 0.00 41.12 39.43 2dn4 n ASP 92 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2dn4 s LEU 93 N 0.23 1.22 -0.00 0.64 1.98 -1.26 -5.12 118.68 116.36 2dn4 s LEU 93 Ca 0.66 -0.91 -0.15 0.00 -2.89 0.00 0.00 54.13 50.84 2dn4 s LEU 93 Cb -0.71 -0.60 0.02 0.00 0.66 0.00 0.00 46.19 45.57 2dn4 s LEU 93 CO 0.54 -0.32 0.33 -0.94 -1.89 0.00 0.00 176.35 174.06 2dn4 s SER 94 N 1.86 -0.20 0.00 3.68 1.04 -1.26 -5.14 113.70 113.68 2dn4 s SER 94 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2dn4 s SER 94 Cb -0.17 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dn4 s SER 94 CO -0.11 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2dn4 n GLY 95 N 1.08 0.43 0.07 7.32 0.00 -1.26 -4.79 105.19 108.05 2dn4 n GLY 95 Ca -0.21 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 2dn4 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn4 h PRO 96 N 0.00 -0.03 -4.18 1.61 0.13 -2.08 -3.50 132.00 123.95 2dn4 h PRO 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dn4 h PRO 96 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dn4 h PRO 96 CO 0.00 0.65 -0.93 0.43 -0.23 0.00 0.00 178.00 177.93 2dn4 n SER 97 N -4.76 -8.86 -0.06 1.44 7.64 -1.26 -4.96 113.62 102.81 2dn4 n SER 97 Ca -0.09 1.33 -0.03 0.00 1.01 0.00 0.00 58.87 61.09 2dn4 n SER 97 Cb 0.34 -4.93 -0.02 0.00 -1.01 0.00 0.00 64.21 58.59 2dn4 n SER 97 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dn4 h SER 98 N 3.91 0.00 0.00 6.43 4.64 -2.02 -3.55 113.55 122.97 2dn4 h SER 98 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2dn4 h SER 98 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dn4 h SER 98 CO 0.00 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.22