#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 s SER 2 N 0.00 -0.32 0.25 1.61 1.04 -1.26 -5.09 113.70 109.93 2dn4 s SER 2 Ca 0.00 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2dn4 s SER 2 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2dn4 s SER 2 CO 0.00 -0.22 0.00 -0.24 0.98 0.00 0.00 173.24 173.76 2dn4 n SER 3 N 1.23 0.15 -3.67 7.02 2.88 -1.26 -5.14 113.62 114.83 2dn4 n SER 3 Ca -0.10 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 57.71 2dn4 n SER 3 Cb 0.57 0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 64.19 2dn4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn4 s GLY 4 N -4.74 -0.30 0.13 0.46 0.00 -1.26 -5.17 107.32 96.43 2dn4 s GLY 4 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 44.72 45.13 2dn4 s GLY 4 CO 0.00 0.39 0.69 -1.35 0.00 0.00 0.00 173.10 172.83 2dn4 s SER 5 N -1.34 -0.48 -0.01 1.64 1.04 -1.26 -5.18 113.70 108.10 2dn4 s SER 5 Ca -0.12 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 2dn4 s SER 5 Cb -0.03 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.75 2dn4 s SER 5 CO 0.06 -0.92 1.02 -0.44 0.98 0.00 0.00 173.24 173.94 2dn4 s SER 6 N -2.71 -0.24 0.00 7.02 0.01 -1.26 -5.12 113.70 111.40 2dn4 s SER 6 Ca 0.03 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2dn4 s SER 6 Cb -0.01 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2dn4 s SER 6 CO -0.10 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2dn4 n GLY 7 N -0.29 3.71 0.27 3.44 0.00 -1.26 -4.83 105.19 106.22 2dn4 n GLY 7 Ca -0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.35 -0.96 0.99 3.38 -1.98 0.81 115.31 116.20 2dn4 h LEU 8 Ca 0.00 0.20 0.26 0.00 0.09 0.00 0.00 57.88 58.43 2dn4 h LEU 8 Cb 0.00 0.59 -0.18 0.00 0.09 0.00 0.00 40.66 41.17 2dn4 h LEU 8 CO 0.00 -0.16 0.02 -0.09 0.09 0.00 0.00 178.44 178.31 2dn4 h ARG 9 N -0.03 0.03 -0.18 1.13 2.43 -1.95 0.97 114.38 116.79 2dn4 h ARG 9 Ca 0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2dn4 h ARG 9 Cb 0.27 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2dn4 h ARG 9 CO -0.57 0.02 0.06 -0.22 -1.51 0.00 0.00 179.97 177.74 2dn4 h LYS 10 N 0.03 0.28 -0.80 0.20 1.63 -0.03 0.94 116.57 118.82 2dn4 h LYS 10 Ca 0.57 -0.06 0.14 0.00 -0.85 0.00 0.00 60.65 60.45 2dn4 h LYS 10 Cb 1.16 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.65 2dn4 h LYS 10 CO -0.89 0.39 0.38 1.96 -3.45 0.00 0.00 179.45 177.84 2dn4 h GLN 11 N 0.12 0.54 -0.01 1.90 4.20 0.64 0.51 115.11 123.01 2dn4 h GLN 11 Ca 0.06 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 2dn4 h GLN 11 Cb 0.22 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.89 2dn4 h GLN 11 CO -0.00 0.36 -0.41 0.28 -0.67 0.00 0.00 178.83 178.38 2dn4 h VAL 12 N 0.56 1.47 -0.67 -0.54 2.07 -0.20 -1.72 116.25 117.22 2dn4 h VAL 12 Ca 0.43 -1.97 0.13 0.00 0.82 0.00 0.00 66.70 66.11 2dn4 h VAL 12 Cb 0.61 2.62 -0.09 0.00 -1.52 0.00 0.00 31.29 32.90 2dn4 h VAL 12 CO -0.36 0.56 0.19 -0.33 0.02 0.00 0.00 177.57 177.64 2dn4 h GLU 13 N -0.27 0.31 -0.16 1.57 5.08 0.19 1.47 114.58 122.78 2dn4 h GLU 13 Ca -0.05 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2dn4 h GLU 13 Cb 1.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2dn4 h GLU 13 CO 0.08 0.21 -0.51 0.93 -1.00 0.00 0.00 179.01 178.72 2dn4 h GLU 14 N 0.32 0.43 0.56 2.33 4.39 -0.06 -2.94 114.58 119.61 2dn4 h GLU 14 Ca 0.36 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2dn4 h GLU 14 Cb 0.54 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2dn4 h GLU 14 CO -0.41 0.84 -0.27 1.25 -1.16 0.00 0.00 179.01 179.26 2dn4 h LEU 15 N 0.34 -0.64 -0.95 1.33 5.85 0.14 -0.85 115.31 120.53 2dn4 h LEU 15 Ca 0.01 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.92 2dn4 h LEU 15 Cb 1.02 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 42.05 2dn4 h LEU 15 CO 0.09 -0.23 -0.32 0.49 -0.34 0.00 0.00 178.44 178.13 2dn4 n PHE 16 N -5.25 0.15 -0.00 1.25 3.01 0.48 0.33 117.46 117.42 2dn4 n PHE 16 Ca -0.09 1.17 -0.12 0.00 1.01 0.00 0.00 57.45 59.42 2dn4 n PHE 16 Cb 0.30 -0.93 -0.07 0.00 -0.01 0.00 0.00 39.48 38.77 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 0.10 -0.43 -1.08 5.08 -1.56 -2.61 114.58 114.08 2dn4 h GLU 17 Ca 0.38 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 2dn4 h GLU 17 Cb 0.62 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2dn4 h GLU 17 CO -0.96 0.24 -0.42 0.00 -1.00 0.00 0.00 179.01 176.87 2dn4 h ARG 18 N -0.06 -0.20 -0.40 2.33 3.08 0.14 1.54 114.38 120.82 2dn4 h ARG 18 Ca 0.02 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2dn4 h ARG 18 Cb 0.17 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 2dn4 h ARG 18 CO -0.00 -0.14 -0.50 0.87 -1.07 0.00 0.00 179.97 179.13 2dn4 h LYS 19 N -0.21 -0.36 -0.24 0.04 1.79 -1.01 1.50 116.57 118.07 2dn4 h LYS 19 Ca 0.07 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 2dn4 h LYS 19 Cb 0.40 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 2dn4 h LYS 19 CO -0.51 -0.24 -0.17 -0.92 -1.08 0.00 0.00 179.45 176.52 2dn4 h TYR 20 N -0.38 -0.43 -0.75 -1.35 3.20 -0.81 0.31 116.97 116.76 2dn4 h TYR 20 Ca 0.10 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.06 2dn4 h TYR 20 Cb 0.60 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 2dn4 h TYR 20 CO -0.67 -0.24 0.45 0.00 -1.64 0.00 0.00 178.16 176.05 2dn4 h ALA 21 N 0.98 1.01 -0.74 1.82 0.00 0.36 -1.15 119.26 121.55 2dn4 h ALA 21 Ca 0.14 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2dn4 h ALA 21 Cb 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2dn4 h ALA 21 CO -0.34 0.18 0.48 1.96 0.00 0.00 0.00 179.25 181.54 2dn4 h GLN 22 N 0.84 0.98 -0.62 0.00 1.08 0.35 1.85 115.11 119.59 2dn4 h GLN 22 Ca 0.33 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 2dn4 h GLN 22 Cb 0.14 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 2dn4 h GLN 22 CO -0.16 0.65 0.41 0.00 -0.95 0.00 0.00 178.83 178.78 2dn4 h ALA 23 N 1.26 1.63 -0.57 3.87 0.00 0.71 0.85 119.26 127.02 2dn4 h ALA 23 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dn4 h ALA 23 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2dn4 h ALA 23 CO -0.06 0.31 0.00 0.44 0.00 0.00 0.00 179.25 179.94 2dn4 n ILE 24 N -4.46 1.55 -3.83 0.00 -5.35 -0.50 -4.97 119.36 101.81 2dn4 n ILE 24 Ca 0.07 -1.19 -0.35 0.00 -0.27 0.00 0.00 62.75 61.01 2dn4 n ILE 24 Cb 0.11 0.24 0.02 0.00 -1.74 0.00 0.00 39.64 38.27 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 0.95 -0.89 -4.18 6.28 4.76 0.51 -4.94 118.16 120.66 2dn4 n LYS 25 Ca 0.22 0.42 -0.34 0.00 -2.87 0.00 0.00 58.31 55.75 2dn4 n LYS 25 Cb 0.75 -3.16 -0.15 0.00 -1.84 0.00 0.00 35.03 30.63 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 -3.36 2.63 -0.32 7.82 0.00 0.50 -4.95 121.76 124.07 2dn4 s ALA 26 Ca 0.36 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2dn4 s ALA 26 Cb -0.17 -1.44 0.45 0.00 0.00 0.00 0.00 23.12 21.96 2dn4 s ALA 26 CO 0.91 -0.24 1.55 1.17 0.00 0.00 0.00 175.76 179.15 2dn4 n LYS 27 N 4.44 2.06 -4.21 0.00 3.00 -1.26 -4.45 118.16 117.74 2dn4 n LYS 27 Ca -0.19 -1.95 -0.12 0.00 -0.00 0.00 0.00 58.31 56.04 2dn4 n LYS 27 Cb 0.51 -1.80 -0.10 0.00 0.00 0.00 0.00 35.03 33.65 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2dn4 s GLY 28 N -0.48 1.49 -0.25 3.14 0.00 -1.26 -5.12 107.32 104.85 2dn4 s GLY 28 Ca 0.37 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.07 2dn4 s GLY 28 CO 0.08 -1.41 1.33 2.56 0.00 0.00 0.00 173.10 175.65 2dn4 s PRO 29 N -4.12 4.01 0.31 2.90 0.04 -1.26 -4.91 135.00 131.97 2dn4 s PRO 29 Ca 0.39 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2dn4 s PRO 29 Cb 0.07 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2dn4 s PRO 29 CO 0.13 -1.00 0.13 0.14 0.04 0.00 0.00 177.00 176.43 2dn4 s VAL 30 N 4.17 3.32 -0.07 -0.36 -7.23 -1.26 -5.13 120.40 113.84 2dn4 s VAL 30 Ca 0.57 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2dn4 s VAL 30 Cb -0.19 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2dn4 s VAL 30 CO 0.21 -0.24 0.08 -0.89 -0.31 0.00 0.00 175.10 173.95 2dn4 s THR 31 N -2.36 4.92 -0.32 5.32 2.01 -1.26 -4.85 115.64 119.10 2dn4 s THR 31 Ca 0.36 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 2dn4 s THR 31 Cb -0.04 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2dn4 s THR 31 CO 0.23 0.53 0.25 -0.63 -0.69 0.00 0.00 174.62 174.31 2dn4 s ILE 32 N -1.05 5.27 -0.38 1.82 1.01 -1.26 -5.04 121.20 121.57 2dn4 s ILE 32 Ca 0.17 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 2dn4 s ILE 32 Cb -0.12 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2dn4 s ILE 32 CO 0.07 0.07 1.39 -2.16 0.00 0.00 0.00 174.94 174.32 2dn4 s PRO 33 N 1.81 3.65 0.07 2.79 0.04 -1.26 -4.88 135.00 137.22 2dn4 s PRO 33 Ca 0.08 1.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 2dn4 s PRO 33 Cb -0.17 -3.99 -0.29 0.00 0.04 0.00 0.00 34.50 30.09 2dn4 s PRO 33 CO 0.11 -1.47 1.12 1.88 0.04 0.00 0.00 177.00 178.68 2dn4 h TYR 34 N 10.41 0.64 0.00 0.56 0.05 -1.99 -3.19 116.97 123.45 2dn4 h TYR 34 Ca -0.27 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.05 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 0.95 1.35 0.00 -0.35 -1.05 0.00 0.00 178.16 179.06 2dn4 n PRO 35 N -3.60 0.00 -0.29 4.88 -0.04 -1.26 -2.55 135.00 132.14 2dn4 n PRO 35 Ca -0.11 0.49 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 2dn4 n PRO 35 Cb 1.03 -1.11 0.08 0.00 -0.04 0.00 0.00 33.50 33.46 2dn4 n PRO 35 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dn4 n LEU 36 N -1.96 -0.36 -0.06 1.53 4.77 -1.26 0.19 117.00 119.84 2dn4 n LEU 36 Ca 0.00 1.34 -0.07 0.00 -0.03 0.00 0.00 56.01 57.25 2dn4 n LEU 36 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2dn4 n LEU 36 CO 0.00 -1.25 0.76 -0.26 -1.33 0.00 0.00 177.39 175.31 2dn4 h PHE 37 N 0.00 -0.36 -0.99 -1.77 -1.00 -1.68 0.38 116.94 111.52 2dn4 h PHE 37 Ca 0.33 0.03 0.22 0.00 2.81 0.00 0.00 57.97 61.37 2dn4 h PHE 37 Cb 0.53 0.20 -0.12 0.00 3.61 0.00 0.00 35.95 40.17 2dn4 h PHE 37 CO -0.63 -0.22 0.58 1.96 -1.61 0.00 0.00 178.31 178.40 2dn4 h GLN 38 N -0.12 0.61 -0.00 1.51 1.08 0.23 0.89 115.11 119.32 2dn4 h GLN 38 Ca 0.14 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 2dn4 h GLN 38 Cb 0.33 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2dn4 h GLN 38 CO -0.34 0.40 -0.58 1.03 -0.95 0.00 0.00 178.83 178.39 2dn4 h SER 39 N 0.63 0.01 -2.23 1.46 0.87 -0.10 -3.33 113.55 110.86 2dn4 h SER 39 Ca 0.61 -0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.58 2dn4 h SER 39 Cb 1.08 -0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.63 2dn4 h SER 39 CO -0.45 0.58 -0.79 1.41 -0.53 0.00 0.00 176.83 177.06 2dn4 n HIS 40 N -3.85 1.94 1.03 2.24 8.25 0.28 -4.86 115.22 120.26 2dn4 n HIS 40 Ca -0.01 -3.91 0.14 0.00 -0.26 0.00 0.00 57.72 53.67 2dn4 n HIS 40 Cb 0.58 -0.44 0.58 0.00 1.12 0.00 0.00 29.99 31.84 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 1.29 0.00 0.82 1.59 0.24 0.49 0.79 118.33 123.55 2dn4 n VAL 41 Ca 0.26 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.67 2dn4 n VAL 41 Cb 0.45 -0.40 0.09 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.48 0.12 -0.01 7.34 -0.58 -1.26 -4.49 120.64 120.29 2dn4 n GLU 42 Ca 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2dn4 n GLU 42 Cb 0.33 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 2dn4 n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dn4 n ASP 43 N -1.70 0.12 -4.32 1.62 8.00 -1.12 -4.95 116.55 114.20 2dn4 n ASP 43 Ca 0.04 0.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.18 2dn4 n ASP 43 Cb 0.38 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.30 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 -6.10 4.14 -0.05 0.64 1.43 0.24 -1.49 118.68 117.49 2dn4 s LEU 44 Ca -0.02 -0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 2dn4 s LEU 44 Cb 0.01 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.44 2dn4 s LEU 44 CO 0.03 -0.27 0.92 -0.72 0.23 0.00 0.00 176.35 176.54 2dn4 s TYR 45 N 1.47 -0.35 -0.01 0.29 1.13 -1.15 -3.89 117.35 114.84 2dn4 s TYR 45 Ca 0.01 0.34 -0.05 0.00 -1.41 0.00 0.00 57.07 55.96 2dn4 s TYR 45 Cb -0.18 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 2dn4 s TYR 45 CO 0.03 -0.48 0.23 0.08 -2.51 0.00 0.00 175.55 172.90 2dn4 s VAL 46 N -2.53 5.37 0.41 -3.49 1.01 -1.26 -1.97 120.40 117.93 2dn4 s VAL 46 Ca 0.03 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2dn4 s VAL 46 Cb -0.01 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2dn4 s VAL 46 CO -0.06 0.36 0.17 -1.61 0.00 0.00 0.00 175.10 173.97 2dn4 s GLU 47 N -1.80 1.95 0.00 2.72 2.02 0.42 -4.80 118.70 119.22 2dn4 s GLU 47 Ca 0.27 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 53.06 2dn4 s GLU 47 Cb -0.13 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.72 2dn4 s GLU 47 CO 0.16 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2dn4 n GLY 48 N -0.90 0.73 3.76 -1.39 0.00 -1.26 0.89 105.19 107.02 2dn4 n GLY 48 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 3.48 0.00 0.99 1.43 -1.26 -2.87 118.68 120.45 2dn4 s LEU 49 Ca 0.00 2.18 -0.19 0.00 -1.03 0.00 0.00 54.13 55.09 2dn4 s LEU 49 Cb 0.00 -4.57 0.27 0.00 0.03 0.00 0.00 46.19 41.92 2dn4 s LEU 49 CO 0.00 -1.72 1.24 -0.81 0.23 0.00 0.00 176.35 175.29 2dn4 n PRO 50 N -2.17 -2.24 -2.71 1.29 -0.04 -1.26 -5.00 135.00 122.87 2dn4 n PRO 50 Ca 0.12 -1.94 -0.40 0.00 -0.04 0.00 0.00 63.50 61.23 2dn4 n PRO 50 Cb 0.51 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2dn4 n PRO 50 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dn4 s GLU 51 N -5.75 4.82 -0.99 0.54 8.01 -1.26 -3.38 118.70 120.69 2dn4 s GLU 51 Ca 0.75 1.53 0.00 0.00 0.01 0.00 0.00 54.97 57.26 2dn4 s GLU 51 Cb -0.04 -3.27 0.00 0.00 -4.31 0.00 0.00 34.13 26.50 2dn4 s GLU 51 CO 0.55 0.47 0.00 0.41 0.01 0.00 0.00 175.26 176.69 2dn4 n GLY 52 N 1.48 0.06 2.87 -1.39 0.00 -1.26 -4.98 105.19 101.96 2dn4 n GLY 52 Ca -0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.54 0.00 -0.61 1.01 -1.22 -5.10 121.20 112.20 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 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.61 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 0.79 -3.59 2.79 -0.04 -1.26 -4.26 135.00 134.48 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 -0.06 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 -0.53 4.31 -4.35 0.54 7.35 -1.26 -4.98 117.46 118.54 2dn4 n PHE 55 Ca 0.00 -4.08 -0.18 0.00 -0.76 0.00 0.00 57.45 52.43 2dn4 n PHE 55 Cb 0.00 -1.20 -0.10 0.00 0.35 0.00 0.00 39.48 38.53 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 -1.43 1.38 0.02 -4.13 1.81 -1.26 -4.98 118.95 110.35 2dn4 s ARG 56 Ca 0.28 -1.69 -0.32 0.00 -1.72 0.00 0.00 55.73 52.28 2dn4 s ARG 56 Cb -0.07 -0.74 -0.16 0.00 -0.45 0.00 0.00 34.95 33.53 2dn4 s ARG 56 CO -0.12 -0.06 0.85 0.54 -0.68 0.00 0.00 175.30 175.83 2dn4 n ARG 57 N -0.45 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.48 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 -1.21 0.61 0.00 -1.02 0.00 0.00 32.46 31.48 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 1.21 0.75 -0.23 5.56 -0.04 -1.26 -2.18 135.00 138.81 2dn4 n PRO 58 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2dn4 n PRO 58 Cb 0.08 -1.43 0.26 0.00 -0.04 0.00 0.00 33.50 32.38 2dn4 n PRO 58 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dn4 n SER 59 N -0.93 3.24 0.00 3.54 7.64 -1.26 -3.89 113.62 121.96 2dn4 n SER 59 Ca 0.15 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2dn4 n SER 59 Cb 0.07 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2dn4 n SER 59 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dn4 n THR 60 N 1.31 0.00 -2.94 0.44 -2.24 -0.93 -5.04 114.28 104.88 2dn4 n THR 60 Ca 0.20 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 2dn4 n THR 60 Cb 0.55 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.60 3.45 0.80 4.78 2.02 -1.25 -5.07 117.35 121.48 2dn4 s TYR 61 Ca 0.00 1.05 -0.11 0.00 -0.37 0.00 0.00 57.07 57.64 2dn4 s TYR 61 Cb 0.00 -2.44 0.07 0.00 -0.40 0.00 0.00 41.96 39.19 2dn4 s TYR 61 CO 0.00 -0.05 1.09 0.20 -1.57 0.00 0.00 175.55 175.23 2dn4 s GLY 62 N -2.97 1.63 0.21 0.71 0.00 -1.26 -4.77 107.32 100.87 2dn4 s GLY 62 Ca 0.51 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 44.96 2dn4 s GLY 62 CO 0.28 0.24 1.81 -2.22 0.00 0.00 0.00 173.10 173.21 2dn4 h ILE 63 N -1.09 0.97 -0.02 0.90 2.04 -1.99 0.29 117.51 118.61 2dn4 h ILE 63 Ca -0.47 -0.24 -0.19 0.00 1.00 0.00 0.00 64.86 64.96 2dn4 h ILE 63 Cb 1.27 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2dn4 h ILE 63 CO 0.59 0.13 -0.82 1.55 0.00 0.00 0.00 178.15 179.60 2dn4 h PRO 64 N 0.70 0.26 -0.69 2.37 0.13 -2.00 -2.59 132.00 130.18 2dn4 h PRO 64 Ca 0.31 -0.25 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 2dn4 h PRO 64 Cb 0.19 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2dn4 h PRO 64 CO -0.19 0.94 0.17 0.00 -0.23 0.00 0.00 178.00 178.69 2dn4 h ARG 65 N 0.16 1.11 0.22 0.86 3.08 -1.67 -2.76 114.38 115.37 2dn4 h ARG 65 Ca -0.04 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2dn4 h ARG 65 Cb 1.42 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2dn4 h ARG 65 CO 0.13 0.98 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.84 2dn4 h LEU 66 N 1.04 -0.25 -0.99 3.04 3.38 -0.44 -2.80 115.31 118.29 2dn4 h LEU 66 Ca 0.22 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2dn4 h LEU 66 Cb 0.37 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.05 2dn4 h LEU 66 CO 0.00 0.09 -0.50 -0.62 0.09 0.00 0.00 178.44 177.50 2dn4 n GLU 67 N -5.08 -0.35 -0.11 1.13 1.02 -0.98 0.33 120.64 116.60 2dn4 n GLU 67 Ca -0.09 1.51 -0.06 0.00 -0.02 0.00 0.00 57.16 58.50 2dn4 n GLU 67 Cb 0.23 -2.22 0.01 0.00 -0.02 0.00 0.00 31.44 29.44 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 -0.10 -0.94 3.49 3.08 -1.48 0.56 114.38 119.00 2dn4 h ARG 68 Ca 0.24 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.56 2dn4 h ARG 68 Cb 0.49 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 2dn4 h ARG 68 CO -0.95 -0.06 0.66 0.82 -1.07 0.00 0.00 179.97 179.36 2dn4 h ILE 69 N -0.10 0.55 0.00 2.04 2.04 0.15 1.47 117.51 123.67 2dn4 h ILE 69 Ca 0.19 -0.03 -0.21 0.00 1.00 0.00 0.00 64.86 65.80 2dn4 h ILE 69 Cb 0.39 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2dn4 h ILE 69 CO -0.44 0.02 -1.07 -0.07 0.00 0.00 0.00 178.15 176.59 2dn4 h LEU 70 N 0.10 0.00 0.00 1.44 3.38 0.18 -2.03 115.31 118.37 2dn4 h LEU 70 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2dn4 h LEU 70 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2dn4 h LEU 70 CO -0.06 0.93 -0.03 -0.07 0.09 0.00 0.00 178.44 179.30 2dn4 h LEU 71 N 0.00 0.00 -1.16 1.67 3.38 0.52 -2.95 115.31 116.77 2dn4 h LEU 71 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dn4 h LEU 71 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2dn4 h LEU 71 CO 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.35 2dn4 n ALA 72 N -1.85 3.12 -0.34 1.53 0.00 0.31 -4.43 120.51 118.85 2dn4 n ALA 72 Ca 0.05 -0.61 0.22 0.00 0.00 0.00 0.00 53.44 53.10 2dn4 n ALA 72 Cb 0.45 -0.67 0.45 0.00 0.00 0.00 0.00 19.45 19.68 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 2.58 0.37 -0.44 0.00 2.10 -1.18 2.23 116.57 122.23 2dn4 h LYS 73 Ca 0.00 -0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.74 2dn4 h LYS 73 Cb 0.69 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 2dn4 h LYS 73 CO 0.00 0.25 0.31 0.93 -2.00 0.00 0.00 179.45 178.94 2dn4 h GLU 74 N 0.38 0.07 0.02 0.07 4.39 -1.80 -2.16 114.58 115.55 2dn4 h GLU 74 Ca 0.71 -0.00 -0.37 0.00 0.34 0.00 0.00 59.36 60.03 2dn4 h GLU 74 Cb 1.54 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.12 2dn4 h GLU 74 CO -0.58 0.05 -2.30 0.54 -1.16 0.00 0.00 179.01 175.56 2dn4 n ARG 75 N -4.43 0.68 -1.26 2.33 1.74 0.66 -4.98 116.66 111.40 2dn4 n ARG 75 Ca 0.07 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 2dn4 n ARG 75 Cb 0.47 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.16 1.10 -3.58 0.55 5.41 0.40 -4.00 119.36 116.09 2dn4 n ILE 76 Ca -0.38 -0.47 -0.14 0.00 1.00 0.00 0.00 62.75 62.76 2dn4 n ILE 76 Cb 1.05 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 -0.94 0.85 -0.30 0.38 3.52 0.26 -4.80 118.95 117.92 2dn4 s ARG 77 Ca 0.57 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 56.65 2dn4 s ARG 77 Cb -0.71 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.13 2dn4 s ARG 77 CO 0.57 -0.20 0.02 -0.06 -0.81 0.00 0.00 175.30 174.82 2dn4 s PHE 78 N -0.52 3.21 -0.44 5.12 0.40 -1.26 0.16 117.98 124.65 2dn4 s PHE 78 Ca -0.04 -1.60 -0.20 0.00 -0.60 0.00 0.00 56.93 54.48 2dn4 s PHE 78 Cb -0.02 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.38 2dn4 s PHE 78 CO 0.04 -0.75 0.62 0.08 0.70 0.00 0.00 175.22 175.91 2dn4 s VAL 79 N 1.33 4.86 -0.84 -0.44 1.01 -0.83 -4.76 120.40 120.72 2dn4 s VAL 79 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2dn4 s VAL 79 Cb -0.19 -4.19 0.35 0.00 0.00 0.00 0.00 36.38 32.34 2dn4 s VAL 79 CO -0.00 -0.59 1.75 -0.38 0.00 0.00 0.00 175.10 175.87 2dn4 n ILE 80 N 5.79 4.34 -0.41 2.22 2.08 -1.26 -2.93 119.36 129.19 2dn4 n ILE 80 Ca -0.03 -5.12 -0.09 0.00 0.56 0.00 0.00 62.75 58.07 2dn4 n ILE 80 Cb 0.48 -1.37 -0.08 0.00 -0.75 0.00 0.00 39.64 37.91 2dn4 n ILE 80 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2dn4 n LYS 81 N -0.33 -0.40 -3.25 0.38 5.02 -0.55 -3.63 118.16 115.38 2dn4 n LYS 81 Ca 0.48 1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 57.83 2dn4 n LYS 81 Cb 0.30 -2.19 -0.08 0.00 -0.02 0.00 0.00 35.03 33.05 2dn4 n LYS 81 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2dn4 s LYS 82 N -5.55 3.43 -0.19 1.97 3.01 -1.26 -4.92 119.74 116.24 2dn4 s LYS 82 Ca -0.12 -0.36 -0.23 0.00 -1.01 0.00 0.00 55.97 54.25 2dn4 s LYS 82 Cb 0.12 -3.87 -0.21 0.00 -1.01 0.00 0.00 37.83 32.86 2dn4 s LYS 82 CO 0.62 -0.74 0.34 0.45 0.51 0.00 0.00 175.35 176.53 2dn4 h HIS 83 N 8.60 0.02 -1.00 3.18 3.86 -1.97 -3.36 115.15 124.49 2dn4 h HIS 83 Ca -0.27 -0.02 0.23 0.00 -1.16 0.00 0.00 60.37 59.15 2dn4 h HIS 83 Cb 1.12 -0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.49 2dn4 h HIS 83 CO 0.70 1.40 0.63 1.05 0.86 0.00 0.00 177.93 182.57 2dn4 h GLU 84 N -0.96 0.50 -0.92 2.45 4.11 -1.93 0.20 114.58 118.04 2dn4 h GLU 84 Ca -0.28 -0.03 0.26 0.00 0.07 0.00 0.00 59.36 59.38 2dn4 h GLU 84 Cb 1.27 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 2dn4 h GLU 84 CO -0.15 0.33 0.31 -0.07 0.07 0.00 0.00 179.01 179.50 2dn4 h LEU 85 N 0.52 0.10 0.70 3.06 3.38 -1.98 -0.16 115.31 120.92 2dn4 h LEU 85 Ca 0.57 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.70 2dn4 h LEU 85 Cb 1.24 0.25 0.01 0.00 0.09 0.00 0.00 40.66 42.24 2dn4 h LEU 85 CO -0.31 -0.17 -0.34 -0.07 0.09 0.00 0.00 178.44 177.64 2dn4 h LEU 86 N 0.21 -0.79 -2.29 1.67 3.38 -0.79 -3.49 115.31 113.21 2dn4 h LEU 86 Ca 0.61 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2dn4 h LEU 86 Cb 1.29 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2dn4 h LEU 86 CO -0.67 -0.47 -0.89 -3.20 0.09 0.00 0.00 178.44 173.30 2dn4 n ASN 87 N -5.06 -5.71 -2.67 -0.43 2.85 -0.08 -5.06 115.26 99.11 2dn4 n ASN 87 Ca -0.12 1.15 0.01 0.00 -0.11 0.00 0.00 54.58 55.51 2dn4 n ASN 87 Cb 0.37 -4.49 0.02 0.00 1.24 0.00 0.00 39.78 36.91 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 -1.17 -0.06 -0.40 1.20 0.15 -1.26 -5.07 113.70 107.09 2dn4 s SER 88 Ca -0.04 -0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.67 2dn4 s SER 88 Cb 0.00 0.07 0.35 0.00 -1.71 0.00 0.00 66.02 64.73 2dn4 s SER 88 CO 0.64 -0.01 0.89 1.07 1.20 0.00 0.00 173.24 177.04 2dn4 n THR 89 N 3.29 -0.02 -3.70 6.45 5.66 -1.26 -5.09 114.28 119.61 2dn4 n THR 89 Ca 0.06 -3.38 -0.13 0.00 -3.05 0.00 0.00 64.05 57.55 2dn4 n THR 89 Cb 0.65 0.41 -0.13 0.00 -1.55 0.00 0.00 70.33 69.72 2dn4 n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dn4 s ARG 90 N -1.52 0.20 0.00 1.09 1.04 -1.26 -5.15 118.95 113.35 2dn4 s ARG 90 Ca 0.33 0.65 0.00 0.00 -1.04 0.00 0.00 55.73 55.67 2dn4 s ARG 90 Cb 0.34 -0.07 0.00 0.00 -2.04 0.00 0.00 34.95 33.18 2dn4 s ARG 90 CO -0.06 -0.22 0.00 -1.91 -0.04 0.00 0.00 175.30 173.07 2dn4 n GLU 91 N 4.72 0.00 -3.71 3.89 4.07 -1.26 -5.11 120.64 123.24 2dn4 n GLU 91 Ca -0.17 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.63 2dn4 n GLU 91 Cb 0.52 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.76 2dn4 n GLU 91 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2dn4 s ASP 92 N 0.00 3.76 -0.30 4.31 -4.77 -1.26 -5.03 116.67 113.38 2dn4 s ASP 92 Ca 0.00 -2.26 -0.09 0.00 -3.30 0.00 0.00 52.55 46.90 2dn4 s ASP 92 Cb 0.00 -0.95 0.18 0.00 -1.09 0.00 0.00 42.92 41.06 2dn4 s ASP 92 CO 0.00 -0.32 0.97 -0.22 0.70 0.00 0.00 175.17 176.30 2dn4 s LEU 93 N 0.83 -0.62 -0.03 2.11 2.96 -1.26 -5.16 118.68 117.51 2dn4 s LEU 93 Ca 0.15 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2dn4 s LEU 93 Cb -0.22 1.43 -0.00 0.00 0.50 0.00 0.00 46.19 47.90 2dn4 s LEU 93 CO -0.08 -0.11 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.28 2dn4 s SER 94 N 2.94 1.46 0.00 3.68 0.01 -1.26 -5.02 113.70 115.50 2dn4 s SER 94 Ca 0.18 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2dn4 s SER 94 Cb -0.06 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2dn4 s SER 94 CO -0.20 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2dn4 n GLY 95 N 3.19 1.88 3.80 3.44 0.00 -1.26 -5.13 105.19 111.11 2dn4 n GLY 95 Ca -0.18 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2dn4 n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn4 s PRO 96 N -0.64 2.05 -0.04 1.61 0.04 -1.26 -5.08 135.00 131.68 2dn4 s PRO 96 Ca 0.00 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 2dn4 s PRO 96 Cb 0.00 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.65 2dn4 s PRO 96 CO 0.00 -1.64 0.03 -1.12 0.04 0.00 0.00 177.00 174.31 2dn4 s SER 97 N -3.91 1.01 -0.41 6.66 0.01 -1.26 -5.06 113.70 110.73 2dn4 s SER 97 Ca 0.61 0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.86 2dn4 s SER 97 Cb -0.14 -0.24 0.20 0.00 0.21 0.00 0.00 66.02 66.05 2dn4 s SER 97 CO 0.54 -0.19 0.93 -0.55 0.41 0.00 0.00 173.24 174.39 2dn4 s SER 98 N 1.74 -0.78 0.00 2.44 0.15 -1.26 -5.22 113.70 110.77 2dn4 s SER 98 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dn4 s SER 98 Cb -0.13 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2dn4 s SER 98 CO -0.03 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.98