#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 2.91 0.05 1.61 0.01 -1.26 -5.12 113.70 111.90 2dn4 s SER 2 Ca 0.00 -0.49 -0.24 0.00 1.31 0.00 0.00 55.95 56.54 2dn4 s SER 2 Cb 0.00 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.87 2dn4 s SER 2 CO 0.00 0.28 0.73 -0.44 0.41 0.00 0.00 173.24 174.22 2dn4 s SER 3 N -0.79 7.19 0.00 2.44 0.01 -1.26 -4.84 113.70 116.45 2dn4 s SER 3 Ca 0.10 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.77 2dn4 s SER 3 Cb -0.09 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2dn4 s SER 3 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2dn4 n GLY 4 N 2.26 1.61 3.40 3.44 0.00 -1.26 -5.17 105.19 109.47 2dn4 n GLY 4 Ca -0.04 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2dn4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn4 s SER 5 N 0.00 -0.45 0.00 1.61 0.15 -1.26 -5.15 113.70 108.60 2dn4 s SER 5 Ca 0.00 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2dn4 s SER 5 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dn4 s SER 5 CO 0.00 -0.64 0.00 -1.20 1.20 0.00 0.00 173.24 172.60 2dn4 n SER 6 N 0.70 0.00 -3.66 5.45 7.64 -1.26 -5.17 113.62 117.33 2dn4 n SER 6 Ca -0.19 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.63 2dn4 n SER 6 Cb 0.59 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 2dn4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn4 s GLY 7 N 0.00 -0.57 0.01 0.23 0.00 -1.26 -5.05 107.32 100.68 2dn4 s GLY 7 Ca 0.00 2.10 -0.01 0.00 0.00 0.00 0.00 44.72 46.80 2dn4 s GLY 7 CO 0.00 2.48 1.02 1.41 0.00 0.00 0.00 173.10 178.01 2dn4 h LEU 8 N 7.51 -0.10 -0.99 0.66 3.38 -1.97 1.61 115.31 125.42 2dn4 h LEU 8 Ca -0.25 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.89 2dn4 h LEU 8 Cb 1.16 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.79 2dn4 h LEU 8 CO 0.16 -0.01 -0.37 -1.14 0.09 0.00 0.00 178.44 177.17 2dn4 n ARG 9 N -3.10 -0.22 -0.20 1.13 0.63 -1.26 0.15 116.66 113.80 2dn4 n ARG 9 Ca 0.00 1.52 -0.04 0.00 -0.92 0.00 0.00 57.85 58.41 2dn4 n ARG 9 Cb 0.01 -2.26 0.06 0.00 0.45 0.00 0.00 32.46 30.72 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 0.66 0.47 -0.14 3.64 -1.05 1.53 116.57 121.68 2dn4 h LYS 10 Ca 0.36 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2dn4 h LYS 10 Cb 0.61 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2dn4 h LYS 10 CO -0.98 0.44 -0.29 1.96 -2.27 0.00 0.00 179.45 178.31 2dn4 h GLN 11 N 0.68 -0.69 -0.42 1.90 4.20 1.16 0.34 115.11 122.28 2dn4 h GLN 11 Ca 0.25 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 2dn4 h GLN 11 Cb 0.07 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2dn4 h GLN 11 CO -0.12 -0.46 0.21 0.28 -0.67 0.00 0.00 178.83 178.06 2dn4 h VAL 12 N -0.72 1.18 -0.48 -0.54 2.07 0.85 0.22 116.25 118.83 2dn4 h VAL 12 Ca -0.05 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.07 2dn4 h VAL 12 Cb 0.59 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 2dn4 h VAL 12 CO 0.06 0.19 -0.19 -0.33 0.02 0.00 0.00 177.57 177.32 2dn4 h GLU 13 N 0.54 -0.08 -0.41 1.57 5.08 0.24 1.58 114.58 123.10 2dn4 h GLU 13 Ca 0.15 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 2dn4 h GLU 13 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dn4 h GLU 13 CO -0.02 -0.05 -0.26 0.93 -1.00 0.00 0.00 179.01 178.60 2dn4 h GLU 14 N -0.08 0.91 0.96 2.33 4.39 -0.65 -2.93 114.58 119.51 2dn4 h GLU 14 Ca 0.23 -0.43 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 2dn4 h GLU 14 Cb 0.44 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2dn4 h GLU 14 CO -0.54 1.08 -0.46 1.25 -1.16 0.00 0.00 179.01 179.18 2dn4 h LEU 15 N 0.73 -1.10 -0.98 1.33 5.85 0.11 0.79 115.31 122.04 2dn4 h LEU 15 Ca 0.08 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.96 2dn4 h LEU 15 Cb 0.84 0.28 -0.14 0.00 0.37 0.00 0.00 40.66 42.02 2dn4 h LEU 15 CO 0.07 -0.77 -0.48 0.49 -0.34 0.00 0.00 178.44 177.41 2dn4 n PHE 16 N -5.64 -0.20 0.16 1.25 3.01 0.52 -0.44 117.46 116.11 2dn4 n PHE 16 Ca -0.16 1.22 -0.14 0.00 1.01 0.00 0.00 57.45 59.38 2dn4 n PHE 16 Cb 0.51 -0.72 -0.07 0.00 -0.01 0.00 0.00 39.48 39.19 2dn4 n PHE 16 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dn4 h GLU 17 N 0.00 -0.40 -0.78 -1.08 5.08 -1.43 -2.66 114.58 113.32 2dn4 h GLU 17 Ca 0.25 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2dn4 h GLU 17 Cb 0.49 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2dn4 h GLU 17 CO -0.95 -0.27 -0.46 0.54 -1.00 0.00 0.00 179.01 176.88 2dn4 n ARG 18 N -5.30 -0.34 -0.14 2.33 1.74 0.41 0.20 116.66 115.56 2dn4 n ARG 18 Ca -0.08 1.37 -0.13 0.00 -0.77 0.00 0.00 57.85 58.24 2dn4 n ARG 18 Cb 0.22 -2.03 -0.09 0.00 -1.02 0.00 0.00 32.46 29.54 2dn4 n ARG 18 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dn4 h LYS 19 N 0.00 -0.33 -0.23 5.56 1.79 -0.99 1.25 116.57 123.62 2dn4 h LYS 19 Ca 0.12 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.67 2dn4 h LYS 19 Cb 0.32 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 2dn4 h LYS 19 CO -0.73 -0.22 -0.16 -0.92 -1.08 0.00 0.00 179.45 176.33 2dn4 h TYR 20 N -0.35 -0.41 -0.93 -1.35 3.20 -0.53 0.33 116.97 116.92 2dn4 h TYR 20 Ca 0.07 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.09 2dn4 h TYR 20 Cb 0.54 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 2dn4 h TYR 20 CO -0.73 -0.23 0.60 0.00 -1.64 0.00 0.00 178.16 176.15 2dn4 h ALA 21 N 0.98 1.65 -0.47 1.82 0.00 0.36 0.64 119.26 124.24 2dn4 h ALA 21 Ca 0.13 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2dn4 h ALA 21 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2dn4 h ALA 21 CO -0.32 0.13 -0.18 1.96 0.00 0.00 0.00 179.25 180.84 2dn4 h GLN 22 N 0.87 0.93 0.00 0.00 1.08 0.35 2.01 115.11 120.35 2dn4 h GLN 22 Ca 0.45 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2dn4 h GLN 22 Cb 0.52 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2dn4 h GLN 22 CO -0.22 1.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.69 2dn4 n ALA 23 N -2.51 1.30 -0.17 3.87 0.00 0.95 -1.05 120.51 122.91 2dn4 n ALA 23 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2dn4 n ALA 23 Cb 0.43 -1.35 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 -2.26 0.24 -3.41 0.00 -5.35 -0.69 -5.02 119.36 102.87 2dn4 n ILE 24 Ca 0.00 -0.53 -0.20 0.00 -0.27 0.00 0.00 62.75 61.75 2dn4 n ILE 24 Cb 0.12 1.00 0.05 0.00 -1.74 0.00 0.00 39.64 39.07 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 -0.12 -1.69 -4.27 6.28 5.02 0.56 -4.98 118.16 118.95 2dn4 n LYS 25 Ca 0.00 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.74 2dn4 n LYS 25 Cb 0.12 -5.01 -0.14 0.00 -0.02 0.00 0.00 35.03 29.97 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 -3.35 2.71 -0.38 7.82 0.00 0.54 -4.96 121.76 124.14 2dn4 s ALA 26 Ca 0.39 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2dn4 s ALA 26 Cb -0.09 -1.47 0.54 0.00 0.00 0.00 0.00 23.12 22.10 2dn4 s ALA 26 CO 0.80 -0.13 1.57 0.36 0.00 0.00 0.00 175.76 178.35 2dn4 n LYS 27 N 4.24 2.73 -4.21 0.00 2.85 -1.26 -4.54 118.16 117.97 2dn4 n LYS 27 Ca -0.18 -2.26 -0.12 0.00 -1.05 0.00 0.00 58.31 54.69 2dn4 n LYS 27 Cb 0.52 -1.95 -0.10 0.00 -0.65 0.00 0.00 35.03 32.84 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 -0.64 1.48 -0.23 2.58 0.00 -1.26 -5.12 107.32 104.14 2dn4 s GLY 28 Ca 0.41 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.12 2dn4 s GLY 28 CO 0.10 -1.42 1.31 2.56 0.00 0.00 0.00 173.10 175.65 2dn4 s PRO 29 N -4.13 4.05 0.35 2.90 0.04 -1.26 -4.93 135.00 132.02 2dn4 s PRO 29 Ca 0.39 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2dn4 s PRO 29 Cb 0.07 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2dn4 s PRO 29 CO 0.12 -0.94 0.16 0.14 0.04 0.00 0.00 177.00 176.52 2dn4 s VAL 30 N 4.03 2.98 -0.07 -0.36 -7.23 -1.26 -5.10 120.40 113.39 2dn4 s VAL 30 Ca 0.57 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 59.04 2dn4 s VAL 30 Cb -0.20 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 2dn4 s VAL 30 CO 0.20 -0.16 0.09 -0.89 -0.31 0.00 0.00 175.10 174.02 2dn4 s THR 31 N -2.43 4.93 -0.26 5.32 2.01 -1.26 -4.87 115.64 119.07 2dn4 s THR 31 Ca 0.38 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2dn4 s THR 31 Cb -0.02 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2dn4 s THR 31 CO 0.23 0.51 0.28 -0.63 -0.69 0.00 0.00 174.62 174.32 2dn4 s ILE 32 N -1.06 5.26 -0.44 1.82 1.01 -1.26 -5.03 121.20 121.49 2dn4 s ILE 32 Ca 0.18 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 2dn4 s ILE 32 Cb -0.12 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2dn4 s ILE 32 CO 0.08 0.24 1.43 -2.16 0.00 0.00 0.00 174.94 174.53 2dn4 s PRO 33 N 1.67 3.49 0.03 2.79 0.04 -1.26 -4.87 135.00 136.90 2dn4 s PRO 33 Ca 0.12 0.85 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 2dn4 s PRO 33 Cb -0.15 -4.06 -0.32 0.00 0.04 0.00 0.00 34.50 30.01 2dn4 s PRO 33 CO 0.09 -1.68 1.00 1.88 0.04 0.00 0.00 177.00 178.33 2dn4 h TYR 34 N 10.95 0.74 0.04 0.56 0.05 -1.99 -3.21 116.97 124.11 2dn4 h TYR 34 Ca -0.28 -0.54 -0.00 0.00 0.05 0.00 0.00 58.73 57.96 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 0.98 1.46 -0.02 -1.00 -1.05 0.00 0.00 178.16 178.54 2dn4 h PRO 35 N 0.11 -0.06 -0.82 4.88 0.13 -1.99 -2.69 132.00 131.56 2dn4 h PRO 35 Ca -0.22 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2dn4 h PRO 35 Cb 2.09 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 33.07 2dn4 h PRO 35 CO 0.23 -0.04 -0.07 1.28 -0.23 0.00 0.00 178.00 179.18 2dn4 n LEU 36 N -2.51 -0.17 -0.00 1.56 4.77 -1.26 0.19 117.00 119.58 2dn4 n LEU 36 Ca -0.01 1.40 -0.10 0.00 -0.03 0.00 0.00 56.01 57.27 2dn4 n LEU 36 Cb 0.02 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 2dn4 n LEU 36 CO 0.02 -1.39 0.84 -0.26 -1.33 0.00 0.00 177.39 175.27 2dn4 h PHE 37 N 0.00 -0.09 -0.84 -1.77 -1.00 -1.66 0.12 116.94 111.70 2dn4 h PHE 37 Ca 0.46 0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.35 2dn4 h PHE 37 Cb 0.86 0.06 -0.08 0.00 3.61 0.00 0.00 35.95 40.40 2dn4 h PHE 37 CO -0.50 -0.07 0.47 1.96 -1.61 0.00 0.00 178.31 178.56 2dn4 h GLN 38 N -0.02 0.74 -0.18 1.51 1.08 0.25 0.16 115.11 118.65 2dn4 h GLN 38 Ca 0.06 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 2dn4 h GLN 38 Cb 0.11 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2dn4 h GLN 38 CO -0.12 0.49 -0.28 0.66 -0.95 0.00 0.00 178.83 178.63 2dn4 h SER 39 N 0.77 0.34 -2.16 1.46 4.64 -0.28 -3.28 113.55 115.03 2dn4 h SER 39 Ca 0.41 -0.11 -0.59 0.00 -0.47 0.00 0.00 61.79 61.03 2dn4 h SER 39 Cb 0.42 -0.09 -0.41 0.00 -0.31 0.00 0.00 62.40 62.01 2dn4 h SER 39 CO -0.27 0.62 -0.70 1.41 -0.87 0.00 0.00 176.83 177.02 2dn4 n HIS 40 N -4.12 2.80 1.27 4.77 8.25 0.34 -4.83 115.22 123.69 2dn4 n HIS 40 Ca -0.01 -4.03 0.14 0.00 -0.26 0.00 0.00 57.72 53.56 2dn4 n HIS 40 Cb 0.40 -0.51 0.63 0.00 1.12 0.00 0.00 29.99 31.62 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 0.98 0.00 0.49 1.59 0.24 0.29 0.86 118.33 122.78 2dn4 n VAL 41 Ca 0.28 -0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 2dn4 n VAL 41 Cb 0.43 -0.29 0.10 0.00 -1.47 0.00 0.00 33.84 32.61 2dn4 n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dn4 n GLU 42 N -1.26 0.34 0.00 7.34 1.02 -1.26 -4.50 120.64 122.33 2dn4 n GLU 42 Ca 0.12 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2dn4 n GLU 42 Cb 0.29 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2dn4 n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dn4 n ASP 43 N -2.16 0.22 -4.65 1.62 8.00 -1.14 -4.99 116.55 113.43 2dn4 n ASP 43 Ca 0.02 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 2dn4 n ASP 43 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 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 -5.85 4.12 -0.22 0.64 1.43 0.25 -2.08 118.68 116.97 2dn4 s LEU 44 Ca 0.00 0.25 -0.36 0.00 -1.03 0.00 0.00 54.13 52.98 2dn4 s LEU 44 Cb 0.00 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 44.11 2dn4 s LEU 44 CO 0.00 -0.01 1.31 -0.72 0.23 0.00 0.00 176.35 177.16 2dn4 s TYR 45 N 1.26 -0.06 0.11 0.29 -0.85 -1.20 -3.76 117.35 113.14 2dn4 s TYR 45 Ca 0.12 0.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.73 2dn4 s TYR 45 Cb -0.14 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 2dn4 s TYR 45 CO 0.06 -0.11 0.13 0.08 -1.52 0.00 0.00 175.55 174.19 2dn4 s VAL 46 N -2.22 4.70 0.35 -3.49 1.01 -1.26 -1.81 120.40 117.67 2dn4 s VAL 46 Ca 0.11 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2dn4 s VAL 46 Cb -0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2dn4 s VAL 46 CO -0.04 0.04 0.24 -0.62 0.00 0.00 0.00 175.10 174.72 2dn4 n GLU 47 N 0.13 0.46 -0.91 2.72 1.02 0.35 -4.83 120.64 119.58 2dn4 n GLU 47 Ca -0.08 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 2dn4 n GLU 47 Cb 0.53 2.44 0.00 0.00 -0.02 0.00 0.00 31.44 34.39 2dn4 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dn4 n GLY 48 N -0.69 0.73 3.77 0.62 0.00 -1.25 0.94 105.19 109.31 2dn4 n GLY 48 Ca 0.03 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 3.39 0.00 0.99 1.43 -1.26 -2.78 118.68 120.45 2dn4 s LEU 49 Ca 0.00 1.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.99 2dn4 s LEU 49 Cb 0.00 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.80 2dn4 s LEU 49 CO 0.00 -1.61 0.60 -0.81 0.23 0.00 0.00 176.35 174.76 2dn4 n PRO 50 N -2.41 -1.34 -2.97 1.29 -0.04 -1.26 -5.00 135.00 123.27 2dn4 n PRO 50 Ca 0.10 -0.94 -0.40 0.00 -0.04 0.00 0.00 63.50 62.22 2dn4 n PRO 50 Cb 0.52 -0.74 -0.06 0.00 -0.04 0.00 0.00 33.50 33.18 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 -4.33 4.55 -0.88 0.54 -1.05 -1.26 -3.65 118.70 112.62 2dn4 s GLU 51 Ca 0.36 1.14 -0.00 0.00 -0.15 0.00 0.00 54.97 56.32 2dn4 s GLU 51 Cb -0.02 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 2dn4 s GLU 51 CO 0.27 0.46 0.03 0.41 0.95 0.00 0.00 175.26 177.37 2dn4 n GLY 52 N 1.89 -0.05 2.84 -3.83 0.00 -1.26 -4.99 105.19 99.80 2dn4 n GLY 52 Ca -0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.56 -0.50 0.00 -0.61 1.01 -1.24 -5.10 121.20 112.20 2dn4 s ILE 53 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2dn4 s ILE 53 Cb -0.01 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2dn4 s ILE 53 CO 0.02 -0.41 0.00 -0.81 0.00 0.00 0.00 174.94 173.74 2dn4 n PRO 54 N 4.93 0.69 -3.62 2.79 -0.04 -1.26 -4.32 135.00 134.17 2dn4 n PRO 54 Ca 0.04 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 -0.21 3.70 0.18 0.54 5.36 -1.26 -5.00 117.98 121.30 2dn4 s PHE 55 Ca 0.00 -2.78 0.01 0.00 -0.96 0.00 0.00 56.93 53.21 2dn4 s PHE 55 Cb 0.00 -3.32 -0.05 0.00 -0.34 0.00 0.00 43.02 39.32 2dn4 s PHE 55 CO 0.00 -0.81 0.03 1.03 -1.46 0.00 0.00 175.22 174.00 2dn4 s ARG 56 N -0.68 1.14 -0.12 10.12 1.81 -1.26 -5.00 118.95 124.96 2dn4 s ARG 56 Ca 0.22 -1.56 -0.36 0.00 -1.72 0.00 0.00 55.73 52.31 2dn4 s ARG 56 Cb -0.13 -0.20 -0.17 0.00 -0.45 0.00 0.00 34.95 34.00 2dn4 s ARG 56 CO -0.08 -0.18 1.06 0.54 -0.68 0.00 0.00 175.30 175.96 2dn4 n ARG 57 N -0.26 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.67 2dn4 n ARG 57 Ca -0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.13 2dn4 n ARG 57 Cb 0.64 -1.30 0.60 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.15 5.56 -0.04 -1.26 -2.21 135.00 139.56 2dn4 n PRO 58 Ca 0.20 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2dn4 n PRO 58 Cb 0.03 -1.42 0.27 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.92 2.74 0.00 3.54 3.41 -1.26 -3.81 113.62 117.31 2dn4 n SER 59 Ca 0.15 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 2dn4 n SER 59 Cb 0.07 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.02 0.00 -2.51 6.66 5.66 -0.94 -5.05 114.28 119.12 2dn4 n THR 60 Ca 0.18 -0.41 -0.30 0.00 -3.05 0.00 0.00 64.05 60.47 2dn4 n THR 60 Cb 0.49 1.13 -0.01 0.00 -1.55 0.00 0.00 70.33 70.38 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 -0.26 3.53 0.77 1.09 2.02 -1.24 -5.07 117.35 118.19 2dn4 s TYR 61 Ca 0.00 1.07 -0.11 0.00 -0.37 0.00 0.00 57.07 57.66 2dn4 s TYR 61 Cb 0.00 -2.50 0.05 0.00 -0.40 0.00 0.00 41.96 39.12 2dn4 s TYR 61 CO 0.00 -0.32 1.09 0.20 -1.57 0.00 0.00 175.55 174.95 2dn4 s GLY 62 N -3.68 1.63 0.20 0.71 0.00 -1.26 -4.82 107.32 100.10 2dn4 s GLY 62 Ca 0.52 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 2dn4 s GLY 62 CO 0.41 0.22 1.86 -2.22 0.00 0.00 0.00 173.10 173.37 2dn4 h ILE 63 N -0.98 1.14 0.00 0.90 5.03 -1.99 0.04 117.51 121.65 2dn4 h ILE 63 Ca -0.46 -0.31 -0.15 0.00 -0.12 0.00 0.00 64.86 63.82 2dn4 h ILE 63 Cb 1.26 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.18 2dn4 h ILE 63 CO 0.59 0.16 -0.70 1.55 -0.68 0.00 0.00 178.15 179.08 2dn4 h PRO 64 N 0.90 0.00 -0.03 2.37 0.13 -2.00 -2.85 132.00 130.52 2dn4 h PRO 64 Ca 0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2dn4 h PRO 64 Cb -0.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.08 2dn4 h PRO 64 CO -0.08 0.70 0.01 0.00 -0.23 0.00 0.00 178.00 178.39 2dn4 h ARG 65 N 0.00 0.05 0.56 0.86 3.08 -1.70 -2.74 114.38 114.49 2dn4 h ARG 65 Ca -0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2dn4 h ARG 65 Cb 1.29 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2dn4 h ARG 65 CO 0.09 0.27 -0.35 -0.07 -1.07 0.00 0.00 179.97 178.84 2dn4 h LEU 66 N -0.17 -0.87 -0.86 3.04 3.38 -1.05 -2.06 115.31 116.72 2dn4 h LEU 66 Ca 0.01 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2dn4 h LEU 66 Cb 0.24 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 2dn4 h LEU 66 CO 0.00 -0.54 -0.43 -0.62 0.09 0.00 0.00 178.44 176.94 2dn4 n GLU 67 N -5.48 -0.30 -0.05 1.13 1.02 -1.08 0.74 120.64 116.62 2dn4 n GLU 67 Ca -0.12 1.31 -0.08 0.00 -0.02 0.00 0.00 57.16 58.25 2dn4 n GLU 67 Cb 0.37 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 29.85 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 -0.15 -0.94 3.49 3.08 -1.27 0.30 114.38 118.88 2dn4 h ARG 68 Ca 0.21 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.52 2dn4 h ARG 68 Cb 0.42 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 2dn4 h ARG 68 CO -0.83 -0.10 0.66 0.82 -1.07 0.00 0.00 179.97 179.45 2dn4 h ILE 69 N -0.16 0.56 0.02 2.04 2.04 0.10 1.34 117.51 123.46 2dn4 h ILE 69 Ca 0.13 -0.05 -0.21 0.00 1.00 0.00 0.00 64.86 65.73 2dn4 h ILE 69 Cb 0.36 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2dn4 h ILE 69 CO -0.33 0.03 -0.97 -0.07 0.00 0.00 0.00 178.15 176.81 2dn4 h LEU 70 N 0.14 0.17 -0.08 1.44 3.38 0.21 -1.57 115.31 119.00 2dn4 h LEU 70 Ca 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2dn4 h LEU 70 Cb 1.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2dn4 h LEU 70 CO -0.08 1.04 0.00 -0.07 0.09 0.00 0.00 178.44 179.41 2dn4 h LEU 71 N 0.05 0.00 -1.23 1.67 3.38 0.40 -2.81 115.31 116.77 2dn4 h LEU 71 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 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 0.14 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.38 2dn4 n ALA 72 N -1.82 3.11 -0.30 1.53 0.00 0.22 -4.41 120.51 118.84 2dn4 n ALA 72 Ca 0.05 -0.62 0.12 0.00 0.00 0.00 0.00 53.44 52.99 2dn4 n ALA 72 Cb 0.42 -0.71 0.28 0.00 0.00 0.00 0.00 19.45 19.45 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 2.82 0.35 0.00 0.00 2.10 -1.01 2.18 116.57 123.02 2dn4 h LYS 73 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2dn4 h LYS 73 Cb 0.74 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2dn4 h LYS 73 CO 0.00 0.23 0.20 0.93 -2.00 0.00 0.00 179.45 178.81 2dn4 h GLU 74 N 0.36 0.00 0.00 0.07 5.08 -1.79 -1.69 114.58 116.61 2dn4 h GLU 74 Ca 0.53 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.72 2dn4 h GLU 74 Cb 1.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2dn4 h GLU 74 CO -0.54 0.00 -1.67 0.54 -1.00 0.00 0.00 179.01 176.35 2dn4 n ARG 75 N -2.64 0.98 -1.29 2.33 5.12 0.62 -5.03 116.66 116.75 2dn4 n ARG 75 Ca -0.02 0.05 -0.43 0.00 -1.93 0.00 0.00 57.85 55.52 2dn4 n ARG 75 Cb 0.24 -1.24 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.69 1.16 -3.57 0.55 5.41 0.48 -3.95 119.36 116.74 2dn4 n ILE 76 Ca -0.19 -0.48 -0.16 0.00 1.00 0.00 0.00 62.75 62.92 2dn4 n ILE 76 Cb 0.75 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.62 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 -0.96 0.93 -0.36 0.38 3.52 0.27 -4.79 118.95 117.93 2dn4 s ARG 77 Ca 0.59 0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 56.70 2dn4 s ARG 77 Cb -0.73 0.44 0.06 0.00 -1.56 0.00 0.00 34.95 33.17 2dn4 s ARG 77 CO 0.58 -0.22 0.12 -0.06 -0.81 0.00 0.00 175.30 174.91 2dn4 s PHE 78 N -0.51 3.34 -0.05 5.12 0.40 -1.26 0.13 117.98 125.15 2dn4 s PHE 78 Ca -0.06 -1.78 -0.25 0.00 -0.60 0.00 0.00 56.93 54.25 2dn4 s PHE 78 Cb -0.02 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 2dn4 s PHE 78 CO 0.05 -0.82 0.77 0.08 0.70 0.00 0.00 175.22 176.00 2dn4 s VAL 79 N 1.31 5.00 -0.58 -0.44 1.01 -0.75 -4.84 120.40 121.11 2dn4 s VAL 79 Ca 0.00 1.59 0.06 0.00 0.00 0.00 0.00 61.98 63.63 2dn4 s VAL 79 Cb -0.21 -4.10 0.30 0.00 0.00 0.00 0.00 36.38 32.37 2dn4 s VAL 79 CO 0.00 0.23 0.84 -0.38 0.00 0.00 0.00 175.10 175.79 2dn4 n ILE 80 N 3.82 2.46 -0.12 2.22 2.08 -1.26 -3.22 119.36 125.34 2dn4 n ILE 80 Ca 0.00 -5.32 -0.09 0.00 0.56 0.00 0.00 62.75 57.91 2dn4 n ILE 80 Cb 0.51 -1.65 -0.03 0.00 -0.75 0.00 0.00 39.64 37.72 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 3.51 -0.28 -4.88 0.38 1.57 -1.80 -3.35 116.57 111.72 2dn4 h LYS 81 Ca 0.15 0.02 -0.66 0.00 -1.87 0.00 0.00 60.65 58.30 2dn4 h LYS 81 Cb 0.61 0.06 -0.22 0.00 0.08 0.00 0.00 32.23 32.77 2dn4 h LYS 81 CO 0.79 -0.19 -0.58 0.15 -0.57 0.00 0.00 179.45 179.06 2dn4 s LYS 82 N -5.93 3.59 -0.13 3.15 -0.14 -1.26 -4.95 119.74 114.07 2dn4 s LYS 82 Ca -0.15 -0.54 -0.13 0.00 -1.36 0.00 0.00 55.97 53.80 2dn4 s LYS 82 Cb 0.13 -3.47 -0.25 0.00 -1.68 0.00 0.00 37.83 32.55 2dn4 s LYS 82 CO 0.67 -0.27 0.40 0.45 -0.76 0.00 0.00 175.35 175.84 2dn4 h HIS 83 N 8.30 0.37 -0.15 3.18 3.86 -1.99 -3.33 115.15 125.40 2dn4 h HIS 83 Ca -0.35 -0.27 0.04 0.00 -1.16 0.00 0.00 60.37 58.63 2dn4 h HIS 83 Cb 1.17 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 2dn4 h HIS 83 CO 0.68 1.65 0.37 1.05 0.86 0.00 0.00 177.93 182.54 2dn4 h GLU 84 N -0.28 0.00 0.00 2.45 4.11 -1.95 1.28 114.58 120.19 2dn4 h GLU 84 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2dn4 h GLU 84 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2dn4 h GLU 84 CO 0.02 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.03 2dn4 h LEU 85 N 0.00 0.00 -4.47 3.06 3.38 -1.99 -2.69 115.31 112.61 2dn4 h LEU 85 Ca 0.07 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.38 2dn4 h LEU 85 Cb 0.81 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.22 2dn4 h LEU 85 CO -0.00 0.00 0.23 0.18 0.09 0.00 0.00 178.44 178.93 2dn4 n LEU 86 N -2.51 6.36 -4.33 1.67 4.77 0.44 -4.98 117.00 118.43 2dn4 n LEU 86 Ca 0.01 -4.82 -0.17 0.00 -0.03 0.00 0.00 56.01 51.00 2dn4 n LEU 86 Cb 0.24 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 2dn4 n LEU 86 CO 0.21 1.89 -0.30 0.20 -1.33 0.00 0.00 177.39 178.06 2dn4 s ASN 87 N -2.32 1.63 0.33 -1.43 -0.87 -1.01 -4.97 114.94 106.29 2dn4 s ASN 87 Ca 0.53 -1.27 0.00 0.00 -1.57 0.00 0.00 52.86 50.55 2dn4 s ASN 87 Cb 0.44 0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.72 2dn4 s ASN 87 CO -0.20 -0.59 0.00 -0.24 -2.57 0.00 0.00 177.10 173.50 2dn4 n SER 88 N -0.43 -5.38 -4.36 -1.22 2.88 -1.26 -4.67 113.62 99.16 2dn4 n SER 88 Ca -0.04 0.90 -0.39 0.00 -1.33 0.00 0.00 58.87 58.02 2dn4 n SER 88 Cb 0.65 -2.57 -0.08 0.00 -0.75 0.00 0.00 64.21 61.46 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 -1.43 -0.17 0.34 2.46 5.66 -1.26 -4.71 114.28 115.17 2dn4 n THR 89 Ca 0.00 -0.08 0.23 0.00 -3.05 0.00 0.00 64.05 61.14 2dn4 n THR 89 Cb 0.12 -0.56 1.21 0.00 -1.55 0.00 0.00 70.33 69.55 2dn4 n THR 89 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2dn4 h ARG 90 N -0.97 0.00 -5.88 1.09 9.65 -1.93 -3.47 114.38 112.87 2dn4 h ARG 90 Ca -0.58 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 2dn4 h ARG 90 Cb 1.32 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.88 2dn4 h ARG 90 CO 0.82 0.00 -0.73 -1.91 2.80 0.00 0.00 179.97 180.95 2dn4 n GLU 91 N -3.09 -1.89 -4.34 0.20 2.13 -1.26 -5.02 120.64 107.36 2dn4 n GLU 91 Ca -0.03 1.72 -0.18 0.00 0.66 0.00 0.00 57.16 59.33 2dn4 n GLU 91 Cb 0.08 -2.27 -0.10 0.00 0.27 0.00 0.00 31.44 29.42 2dn4 n GLU 91 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2dn4 s ASP 92 N -0.65 2.06 0.28 4.31 -1.08 -1.26 -5.03 116.67 115.30 2dn4 s ASP 92 Ca -0.05 -1.18 -0.13 0.00 -0.52 0.00 0.00 52.55 50.67 2dn4 s ASP 92 Cb 0.00 -0.04 0.01 0.00 -1.46 0.00 0.00 42.92 41.43 2dn4 s ASP 92 CO 0.25 -0.44 0.55 -0.22 0.52 0.00 0.00 175.17 175.83 2dn4 s LEU 93 N -3.32 0.31 0.04 -1.34 2.96 -1.26 -5.18 118.68 110.89 2dn4 s LEU 93 Ca 0.27 -1.00 -0.08 0.00 -0.22 0.00 0.00 54.13 53.10 2dn4 s LEU 93 Cb 0.05 1.98 -0.00 0.00 0.50 0.00 0.00 46.19 48.72 2dn4 s LEU 93 CO 0.08 -1.26 0.16 -0.55 -1.32 0.00 0.00 176.35 173.46 2dn4 s SER 94 N -3.05 0.09 -0.30 3.68 0.15 -1.26 -5.15 113.70 107.86 2dn4 s SER 94 Ca 0.21 -0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.34 2dn4 s SER 94 Cb -0.02 0.27 0.18 0.00 -1.71 0.00 0.00 66.02 64.74 2dn4 s SER 94 CO 0.11 -0.55 0.84 -0.83 1.20 0.00 0.00 173.24 174.00 2dn4 s GLY 95 N -2.16 -0.64 0.75 9.45 0.00 -1.26 -5.17 107.32 108.29 2dn4 s GLY 95 Ca -0.04 2.37 -0.11 0.00 0.00 0.00 0.00 44.72 46.93 2dn4 s GLY 95 CO -0.05 3.58 1.08 2.56 0.00 0.00 0.00 173.10 180.28 2dn4 s PRO 96 N 2.89 2.49 0.09 2.90 0.04 -1.26 -4.90 135.00 137.25 2dn4 s PRO 96 Ca 0.09 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2dn4 s PRO 96 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2dn4 s PRO 96 CO -0.16 -1.37 0.00 0.43 0.04 0.00 0.00 177.00 175.94 2dn4 n SER 97 N -3.29 -0.78 -4.69 6.66 7.64 -1.26 -5.15 113.62 112.76 2dn4 n SER 97 Ca 0.07 0.40 -0.24 0.00 1.01 0.00 0.00 58.87 60.11 2dn4 n SER 97 Cb 0.55 1.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.68 2dn4 n SER 97 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dn4 s SER 98 N -2.00 4.86 0.00 6.43 0.01 -1.26 -5.23 113.70 116.51 2dn4 s SER 98 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2dn4 s SER 98 Cb 0.00 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2dn4 s SER 98 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29