#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 4.74 -0.24 1.61 0.15 -1.26 -5.08 113.70 113.62 2dn4 s SER 2 Ca 0.00 -1.92 -0.14 0.00 0.70 0.00 0.00 55.95 54.58 2dn4 s SER 2 Cb 0.00 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.64 2dn4 s SER 2 CO 0.00 -0.34 0.33 -0.94 1.20 0.00 0.00 173.24 173.49 2dn4 s SER 3 N 1.04 6.29 0.00 5.45 1.04 -1.26 -4.97 113.70 121.29 2dn4 s SER 3 Ca 0.05 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2dn4 s SER 3 Cb -0.20 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2dn4 s SER 3 CO -0.07 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2dn4 n GLY 4 N 4.30 3.61 2.10 7.32 0.00 -1.26 -5.13 105.19 116.12 2dn4 n GLY 4 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2dn4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn4 n SER 5 N 0.00 -8.39 -1.37 1.61 7.64 -1.26 -4.94 113.62 106.91 2dn4 n SER 5 Ca 0.00 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.40 2dn4 n SER 5 Cb 0.00 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 58.62 2dn4 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn4 n SER 6 N 1.57 -7.39 0.00 6.43 7.64 -1.26 -5.08 113.62 115.53 2dn4 n SER 6 Ca 0.00 1.54 0.00 0.00 1.01 0.00 0.00 58.87 61.42 2dn4 n SER 6 Cb 0.00 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 2dn4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 7 N -2.21 1.60 0.41 0.23 0.00 -1.26 -4.94 105.19 99.02 2dn4 n GLY 7 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.73 -0.97 0.99 3.38 -1.98 0.37 115.31 115.37 2dn4 h LEU 8 Ca 0.00 0.23 0.29 0.00 0.09 0.00 0.00 57.88 58.49 2dn4 h LEU 8 Cb 0.00 0.71 -0.18 0.00 0.09 0.00 0.00 40.66 41.29 2dn4 h LEU 8 CO 0.00 -0.36 0.16 -0.09 0.09 0.00 0.00 178.44 178.24 2dn4 h ARG 9 N -0.34 0.04 -0.41 1.13 2.43 -1.97 1.46 114.38 116.73 2dn4 h ARG 9 Ca 0.07 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2dn4 h ARG 9 Cb 0.54 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2dn4 h ARG 9 CO -0.57 0.03 0.09 -0.22 -1.51 0.00 0.00 179.97 177.79 2dn4 h LYS 10 N 0.04 0.66 -0.60 0.20 1.63 -0.80 1.12 116.57 118.82 2dn4 h LYS 10 Ca 0.64 -0.16 0.06 0.00 -0.85 0.00 0.00 60.65 60.33 2dn4 h LYS 10 Cb 1.40 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.90 2dn4 h LYS 10 CO -0.85 0.69 0.32 1.96 -3.45 0.00 0.00 179.45 178.11 2dn4 h GLN 11 N 0.52 0.57 -0.06 1.90 4.20 0.51 0.61 115.11 123.36 2dn4 h GLN 11 Ca 0.13 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.61 2dn4 h GLN 11 Cb 0.33 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.99 2dn4 h GLN 11 CO 0.00 0.38 -0.71 0.28 -0.67 0.00 0.00 178.83 178.11 2dn4 h VAL 12 N 0.59 1.35 -0.28 -0.54 2.07 -0.25 -0.19 116.25 118.99 2dn4 h VAL 12 Ca 0.27 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.81 2dn4 h VAL 12 Cb 0.19 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2dn4 h VAL 12 CO -0.19 0.61 0.02 -0.33 0.02 0.00 0.00 177.57 177.71 2dn4 h GLU 13 N 0.19 0.11 -0.38 1.57 5.08 0.19 0.84 114.58 122.17 2dn4 h GLU 13 Ca -0.07 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 2dn4 h GLU 13 Cb 1.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2dn4 h GLU 13 CO 0.14 0.07 -0.35 0.93 -1.00 0.00 0.00 179.01 178.80 2dn4 h GLU 14 N 0.11 0.90 0.02 2.33 4.39 0.16 -2.87 114.58 119.62 2dn4 h GLU 14 Ca 0.13 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 2dn4 h GLU 14 Cb 0.16 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2dn4 h GLU 14 CO -0.21 1.12 -0.01 1.25 -1.16 0.00 0.00 179.01 180.00 2dn4 h LEU 15 N 0.72 -0.02 -0.12 1.33 5.85 -0.42 -0.97 115.31 121.68 2dn4 h LEU 15 Ca 0.06 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2dn4 h LEU 15 Cb 0.94 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2dn4 h LEU 15 CO 0.09 -0.01 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.54 2dn4 h PHE 16 N -0.03 -1.13 -0.56 1.25 -1.00 0.73 -1.45 116.94 114.74 2dn4 h PHE 16 Ca -0.00 0.04 0.11 0.00 2.81 0.00 0.00 57.97 60.94 2dn4 h PHE 16 Cb 0.02 0.51 -0.10 0.00 3.61 0.00 0.00 35.95 39.99 2dn4 h PHE 16 CO -0.08 -0.37 -0.05 0.93 -1.61 0.00 0.00 178.31 177.12 2dn4 h GLU 17 N -0.39 0.07 -0.23 1.51 5.08 -1.44 -2.33 114.58 116.85 2dn4 h GLU 17 Ca 0.03 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2dn4 h GLU 17 Cb 0.46 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2dn4 h GLU 17 CO -0.32 0.04 -0.19 0.00 -1.00 0.00 0.00 179.01 177.55 2dn4 h ARG 18 N 0.07 -0.07 -0.76 2.33 2.47 -0.19 1.00 114.38 119.23 2dn4 h ARG 18 Ca 0.28 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.08 2dn4 h ARG 18 Cb 0.45 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.68 2dn4 h ARG 18 CO -0.52 -0.05 -0.55 0.87 0.56 0.00 0.00 179.97 180.29 2dn4 h LYS 19 N -0.07 -0.12 -0.53 0.04 1.79 -0.80 1.23 116.57 118.12 2dn4 h LYS 19 Ca 0.04 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.62 2dn4 h LYS 19 Cb 0.17 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.75 2dn4 h LYS 19 CO -0.25 -0.08 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.04 2dn4 h TYR 20 N -0.12 -0.19 -0.97 -1.35 3.20 -0.79 0.23 116.97 116.98 2dn4 h TYR 20 Ca 0.12 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.06 2dn4 h TYR 20 Cb 0.44 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2dn4 h TYR 20 CO -0.93 -0.19 0.64 0.00 -1.64 0.00 0.00 178.16 176.03 2dn4 h ALA 21 N 1.51 1.25 -0.56 1.82 0.00 0.45 -1.75 119.26 121.98 2dn4 h ALA 21 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dn4 h ALA 21 Cb 0.41 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2dn4 h ALA 21 CO -0.51 0.57 0.35 1.96 0.00 0.00 0.00 179.25 181.62 2dn4 h GLN 22 N 1.27 0.75 -0.29 0.00 4.20 0.43 1.83 115.11 123.29 2dn4 h GLN 22 Ca 0.37 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.08 2dn4 h GLN 22 Cb -0.08 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 2dn4 h GLN 22 CO -0.10 0.52 0.20 0.00 -0.67 0.00 0.00 178.83 178.78 2dn4 h ALA 23 N 1.18 2.11 -0.32 3.87 0.00 0.14 0.22 119.26 126.46 2dn4 h ALA 23 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dn4 h ALA 23 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dn4 h ALA 23 CO -0.04 -0.17 0.00 0.44 0.00 0.00 0.00 179.25 179.48 2dn4 n ILE 24 N -4.48 1.82 -4.05 0.00 -5.35 -0.41 -4.98 119.36 101.91 2dn4 n ILE 24 Ca 0.03 -1.51 -0.45 0.00 -0.27 0.00 0.00 62.75 60.54 2dn4 n ILE 24 Cb 0.27 0.04 0.02 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.02 -0.34 -3.84 6.28 5.02 0.50 -4.90 118.16 120.86 2dn4 n LYS 25 Ca 0.18 0.12 -0.36 0.00 -2.02 0.00 0.00 58.31 56.24 2dn4 n LYS 25 Cb 0.74 -2.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.09 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 -3.49 3.14 -0.32 7.82 0.00 0.50 -4.95 121.76 124.46 2dn4 s ALA 26 Ca 0.47 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2dn4 s ALA 26 Cb -0.25 -1.99 0.47 0.00 0.00 0.00 0.00 23.12 21.34 2dn4 s ALA 26 CO 0.97 -0.37 1.63 1.17 0.00 0.00 0.00 175.76 179.16 2dn4 n LYS 27 N 4.67 1.93 -4.15 0.00 4.81 -1.26 -4.55 118.16 119.62 2dn4 n LYS 27 Ca -0.16 -2.09 -0.11 0.00 -0.87 0.00 0.00 58.31 55.08 2dn4 n LYS 27 Cb 0.52 -1.82 -0.09 0.00 0.02 0.00 0.00 35.03 33.65 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 -0.59 1.20 -0.24 3.14 0.00 -1.26 -5.12 107.32 104.45 2dn4 s GLY 28 Ca 0.39 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 2dn4 s GLY 28 CO 0.08 -1.19 1.32 2.56 0.00 0.00 0.00 173.10 175.87 2dn4 s PRO 29 N -4.12 4.02 0.33 2.90 0.04 -1.26 -4.94 135.00 131.97 2dn4 s PRO 29 Ca 0.34 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.91 2dn4 s PRO 29 Cb 0.05 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 2dn4 s PRO 29 CO 0.11 -0.99 0.11 0.14 0.04 0.00 0.00 177.00 176.42 2dn4 s VAL 30 N 4.14 3.05 -0.02 -0.36 -7.23 -1.26 -5.13 120.40 113.59 2dn4 s VAL 30 Ca 0.57 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2dn4 s VAL 30 Cb -0.19 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2dn4 s VAL 30 CO 0.21 -0.21 0.10 -0.89 -0.31 0.00 0.00 175.10 174.00 2dn4 s THR 31 N -2.42 4.90 -0.27 5.32 2.01 -1.26 -4.86 115.64 119.06 2dn4 s THR 31 Ca 0.37 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2dn4 s THR 31 Cb -0.03 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 2dn4 s THR 31 CO 0.22 0.39 0.26 -0.63 -0.69 0.00 0.00 174.62 174.17 2dn4 s ILE 32 N -1.18 5.26 -0.49 1.82 1.01 -1.26 -5.03 121.20 121.34 2dn4 s ILE 32 Ca 0.22 0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.92 2dn4 s ILE 32 Cb -0.12 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2dn4 s ILE 32 CO 0.13 0.22 1.46 -2.16 0.00 0.00 0.00 174.94 174.59 2dn4 s PRO 33 N 1.82 3.39 0.06 2.79 0.04 -1.26 -4.86 135.00 136.98 2dn4 s PRO 33 Ca 0.10 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 61.78 2dn4 s PRO 33 Cb -0.16 -4.10 -0.32 0.00 0.04 0.00 0.00 34.50 29.97 2dn4 s PRO 33 CO 0.10 -1.81 1.08 1.88 0.04 0.00 0.00 177.00 178.29 2dn4 h TYR 34 N 11.20 0.71 0.01 0.56 0.05 -1.99 -3.20 116.97 124.31 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 1.11 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2dn4 h TYR 34 CO 1.00 1.40 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.51 2dn4 h PRO 35 N 0.11 -0.02 -0.78 4.88 0.13 -1.99 -2.89 132.00 131.44 2dn4 h PRO 35 Ca -0.19 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 2dn4 h PRO 35 Cb 2.06 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 33.06 2dn4 h PRO 35 CO 0.24 -0.01 -0.25 1.28 -0.23 0.00 0.00 178.00 179.03 2dn4 n LEU 36 N -2.16 -0.38 -0.08 1.56 4.77 -1.26 0.18 117.00 119.62 2dn4 n LEU 36 Ca -0.00 1.35 -0.06 0.00 -0.03 0.00 0.00 56.01 57.26 2dn4 n LEU 36 Cb 0.01 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2dn4 n LEU 36 CO 0.01 -1.26 0.75 -0.26 -1.33 0.00 0.00 177.39 175.30 2dn4 h PHE 37 N 0.00 -0.38 -0.90 -1.77 -1.00 -1.68 0.46 116.94 111.67 2dn4 h PHE 37 Ca 0.33 0.04 0.14 0.00 2.81 0.00 0.00 57.97 61.29 2dn4 h PHE 37 Cb 0.52 0.22 -0.07 0.00 3.61 0.00 0.00 35.95 40.23 2dn4 h PHE 37 CO -0.64 -0.23 0.58 1.96 -1.61 0.00 0.00 178.31 178.37 2dn4 h GLN 38 N -0.11 0.69 -0.03 1.51 1.08 0.22 0.55 115.11 119.03 2dn4 h GLN 38 Ca 0.16 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.15 2dn4 h GLN 38 Cb 0.36 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2dn4 h GLN 38 CO -0.39 0.46 -0.75 0.77 -0.95 0.00 0.00 178.83 177.97 2dn4 h SER 39 N 0.72 0.25 -2.14 1.46 0.02 0.63 -3.34 113.55 111.15 2dn4 h SER 39 Ca 0.46 -0.18 -0.58 0.00 -0.84 0.00 0.00 61.79 60.65 2dn4 h SER 39 Cb 0.71 -0.08 -0.41 0.00 0.14 0.00 0.00 62.40 62.76 2dn4 h SER 39 CO -0.21 0.91 -0.79 1.41 -1.14 0.00 0.00 176.83 177.01 2dn4 n HIS 40 N -3.75 2.33 0.89 3.45 8.25 0.14 -4.84 115.22 121.70 2dn4 n HIS 40 Ca -0.03 -3.94 0.14 0.00 -0.26 0.00 0.00 57.72 53.62 2dn4 n HIS 40 Cb 0.72 -0.48 0.56 0.00 1.12 0.00 0.00 29.99 31.91 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 0.79 0.18 0.68 1.59 0.24 0.16 -0.27 118.33 121.69 2dn4 n VAL 41 Ca 0.27 -0.07 0.12 0.00 -2.04 0.00 0.00 64.34 62.63 2dn4 n VAL 41 Cb 0.46 -0.53 0.29 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.70 0.22 0.02 7.34 1.02 -1.26 -4.43 120.64 121.85 2dn4 n GLU 42 Ca 0.07 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 2dn4 n GLU 42 Cb 0.36 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.02 1.23 -4.65 1.62 8.00 -1.09 -4.99 116.55 114.64 2dn4 n ASP 43 Ca 0.05 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.33 2dn4 n ASP 43 Cb 0.41 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 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 -7.13 4.12 -0.10 0.64 1.43 0.63 -2.41 118.68 115.86 2dn4 s LEU 44 Ca -0.05 0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 53.25 2dn4 s LEU 44 Cb 0.01 -2.55 0.12 0.00 0.03 0.00 0.00 46.19 43.79 2dn4 s LEU 44 CO 0.08 -0.14 1.00 -0.72 0.23 0.00 0.00 176.35 176.80 2dn4 s TYR 45 N 1.61 -0.29 -0.12 0.29 -0.85 -1.15 -3.99 117.35 112.85 2dn4 s TYR 45 Ca 0.20 0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 56.98 2dn4 s TYR 45 Cb -0.15 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 2dn4 s TYR 45 CO 0.09 -0.40 0.09 0.08 -1.52 0.00 0.00 175.55 173.89 2dn4 s VAL 46 N -2.36 5.11 0.37 -3.49 1.01 -1.26 -1.73 120.40 118.05 2dn4 s VAL 46 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2dn4 s VAL 46 Cb -0.01 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2dn4 s VAL 46 CO -0.05 0.59 0.09 -0.62 0.00 0.00 0.00 175.10 175.11 2dn4 n GLU 47 N 2.25 0.73 -0.91 2.72 1.02 0.50 -4.77 120.64 122.18 2dn4 n GLU 47 Ca -0.19 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 2dn4 n GLU 47 Cb 0.54 1.36 0.00 0.00 -0.02 0.00 0.00 31.44 33.33 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 -0.25 0.73 3.76 0.62 0.00 -1.26 0.12 105.19 108.91 2dn4 n GLY 48 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 3.26 0.00 0.99 1.43 -1.26 -2.63 118.68 120.47 2dn4 s LEU 49 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 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 -1.91 0.00 -0.81 0.23 0.00 0.00 176.35 173.86 2dn4 n PRO 50 N -2.83 -0.39 -3.25 1.29 -0.04 -1.26 -4.98 135.00 123.54 2dn4 n PRO 50 Ca 0.11 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 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 -1.21 -0.04 0.00 0.00 175.50 174.25 2dn4 s GLU 51 N -2.79 4.26 -0.90 0.54 2.02 -1.26 -3.89 118.70 116.68 2dn4 s GLU 51 Ca 0.00 0.73 -0.01 0.00 0.02 0.00 0.00 54.97 55.71 2dn4 s GLU 51 Cb 0.00 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2dn4 s GLU 51 CO 0.00 0.50 0.11 0.41 0.02 0.00 0.00 175.26 176.31 2dn4 n GLY 52 N 2.10 -0.04 2.86 -1.39 0.00 -1.26 -4.99 105.19 102.46 2dn4 n GLY 52 Ca -0.09 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.66 -0.53 0.00 -0.61 1.01 -1.25 -5.10 121.20 112.06 2dn4 s ILE 53 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2dn4 s ILE 53 Cb -0.03 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2dn4 s ILE 53 CO 0.07 -0.39 0.00 -0.81 0.00 0.00 0.00 174.94 173.81 2dn4 n PRO 54 N 5.02 0.50 -3.60 2.79 -0.04 -1.26 -4.35 135.00 134.05 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 33.88 2dn4 n PRO 54 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dn4 s PHE 55 N -0.34 3.95 0.24 0.54 5.36 -1.26 -5.00 117.98 121.47 2dn4 s PHE 55 Ca 0.00 -2.99 0.04 0.00 -0.96 0.00 0.00 56.93 53.02 2dn4 s PHE 55 Cb 0.00 -3.32 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 2dn4 s PHE 55 CO 0.00 -0.77 -0.01 1.03 -1.46 0.00 0.00 175.22 174.01 2dn4 s ARG 56 N -1.33 1.37 -0.24 10.12 1.81 -1.26 -4.99 118.95 124.43 2dn4 s ARG 56 Ca 0.28 -1.69 -0.41 0.00 -1.72 0.00 0.00 55.73 52.19 2dn4 s ARG 56 Cb -0.08 -0.71 -0.19 0.00 -0.45 0.00 0.00 34.95 33.53 2dn4 s ARG 56 CO -0.12 -0.07 1.26 0.54 -0.68 0.00 0.00 175.30 176.23 2dn4 n ARG 57 N -0.45 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.49 2dn4 n ARG 57 Ca -0.05 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.10 2dn4 n ARG 57 Cb 0.64 -1.40 0.45 0.00 -1.02 0.00 0.00 32.46 31.13 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 2.61 0.75 -0.23 5.56 -0.04 -1.26 -2.39 135.00 140.00 2dn4 n PRO 58 Ca 0.24 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2dn4 n PRO 58 Cb 0.01 -1.32 0.25 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.82 2.77 0.00 3.54 3.41 -1.26 -3.74 113.62 117.52 2dn4 n SER 59 Ca 0.11 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2dn4 n SER 59 Cb 0.05 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.26 -3.17 6.66 5.66 -1.01 -5.08 114.28 118.63 2dn4 n THR 60 Ca 0.18 -0.31 -0.27 0.00 -3.05 0.00 0.00 64.05 60.60 2dn4 n THR 60 Cb 0.45 1.04 -0.02 0.00 -1.55 0.00 0.00 70.33 70.26 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 3.50 0.79 1.09 2.02 -1.25 -5.08 117.35 118.17 2dn4 s TYR 61 Ca 0.00 0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 57.24 2dn4 s TYR 61 Cb 0.00 -2.13 0.07 0.00 -0.40 0.00 0.00 41.96 39.50 2dn4 s TYR 61 CO 0.00 0.05 1.09 0.20 -1.57 0.00 0.00 175.55 175.32 2dn4 s GLY 62 N -3.53 1.64 0.20 0.71 0.00 -1.26 -4.80 107.32 100.28 2dn4 s GLY 62 Ca 0.44 -0.05 -0.10 0.00 0.00 0.00 0.00 44.72 45.01 2dn4 s GLY 62 CO 0.34 0.35 1.81 -2.22 0.00 0.00 0.00 173.10 173.39 2dn4 h ILE 63 N -1.11 1.00 -0.02 0.90 2.04 -1.99 0.11 117.51 118.43 2dn4 h ILE 63 Ca -0.46 -0.24 -0.19 0.00 1.00 0.00 0.00 64.86 64.97 2dn4 h ILE 63 Cb 1.25 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2dn4 h ILE 63 CO 0.57 0.13 -0.82 1.55 0.00 0.00 0.00 178.15 179.58 2dn4 h PRO 64 N 0.69 0.28 -0.75 2.37 0.13 -1.99 -2.51 132.00 130.21 2dn4 h PRO 64 Ca 0.27 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2dn4 h PRO 64 Cb 0.12 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 2dn4 h PRO 64 CO -0.15 0.95 0.34 0.00 -0.23 0.00 0.00 178.00 178.91 2dn4 h ARG 65 N 0.17 1.08 -0.04 0.86 3.08 -1.71 -1.62 114.38 116.21 2dn4 h ARG 65 Ca -0.04 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 2dn4 h ARG 65 Cb 1.42 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 2dn4 h ARG 65 CO 0.13 0.85 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.77 2dn4 h LEU 66 N 1.07 0.11 -0.14 3.04 3.38 -0.78 -2.96 115.31 119.02 2dn4 h LEU 66 Ca 0.26 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2dn4 h LEU 66 Cb 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2dn4 h LEU 66 CO -0.03 0.59 -0.42 -0.33 0.09 0.00 0.00 178.44 178.34 2dn4 h GLU 67 N -0.37 -0.40 -0.79 1.13 5.08 -1.20 -0.88 114.58 117.14 2dn4 h GLU 67 Ca 0.01 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2dn4 h GLU 67 Cb 0.56 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 2dn4 h GLU 67 CO 0.01 -0.27 -0.43 0.00 -1.00 0.00 0.00 179.01 177.32 2dn4 h ARG 68 N -0.42 -0.11 -0.79 2.33 3.08 -1.38 0.70 114.38 117.80 2dn4 h ARG 68 Ca 0.03 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.27 2dn4 h ARG 68 Cb 0.51 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 2dn4 h ARG 68 CO -0.36 -0.07 0.07 0.82 -1.07 0.00 0.00 179.97 179.37 2dn4 h ILE 69 N -0.11 0.34 -0.40 2.04 2.04 -1.16 1.70 117.51 121.97 2dn4 h ILE 69 Ca 0.24 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 2dn4 h ILE 69 Cb 0.55 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2dn4 h ILE 69 CO -0.83 0.03 0.16 -0.07 0.00 0.00 0.00 178.15 177.44 2dn4 h LEU 70 N 0.14 0.50 0.00 1.44 3.38 0.16 1.05 115.31 121.98 2dn4 h LEU 70 Ca 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2dn4 h LEU 70 Cb 0.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dn4 h LEU 70 CO -0.66 0.46 -0.02 -0.07 0.09 0.00 0.00 178.44 178.24 2dn4 h LEU 71 N 0.56 0.00 -0.27 1.67 3.38 0.45 -2.95 115.31 118.15 2dn4 h LEU 71 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dn4 h LEU 71 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2dn4 h LEU 71 CO -0.01 0.00 -0.82 0.00 0.09 0.00 0.00 178.44 177.70 2dn4 n ALA 72 N -1.83 4.32 -0.31 1.53 0.00 0.40 -4.45 120.51 120.17 2dn4 n ALA 72 Ca 0.05 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.92 2dn4 n ALA 72 Cb 0.44 -0.74 0.08 0.00 0.00 0.00 0.00 19.45 19.24 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 0.64 -0.02 -1.33 0.00 2.10 0.12 2.17 116.57 120.25 2dn4 h LYS 73 Ca 0.00 0.00 0.39 0.00 -2.00 0.00 0.00 60.65 59.04 2dn4 h LYS 73 Cb 0.54 0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.80 2dn4 h LYS 73 CO 0.00 -0.02 0.92 0.93 -2.00 0.00 0.00 179.45 179.28 2dn4 h GLU 74 N -0.03 0.10 0.07 0.07 5.08 -1.79 0.24 114.58 118.33 2dn4 h GLU 74 Ca 0.38 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 58.36 2dn4 h GLU 74 Cb 0.62 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2dn4 h GLU 74 CO -0.89 0.07 -2.15 0.54 -1.00 0.00 0.00 179.01 175.58 2dn4 n ARG 75 N -4.35 0.72 -1.25 2.33 1.74 0.65 -4.96 116.66 111.53 2dn4 n ARG 75 Ca 0.31 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 57.20 2dn4 n ARG 75 Cb 1.35 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 31.13 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 -3.36 1.14 -3.57 0.55 5.41 0.35 -3.99 119.36 115.88 2dn4 n ILE 76 Ca -0.36 -0.47 -0.16 0.00 1.00 0.00 0.00 62.75 62.77 2dn4 n ILE 76 Cb 1.03 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 -0.93 0.92 -0.28 0.38 3.52 0.32 -4.79 118.95 118.09 2dn4 s ARG 77 Ca 0.57 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.70 2dn4 s ARG 77 Cb -0.71 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.15 2dn4 s ARG 77 CO 0.56 -0.22 0.01 -0.06 -0.81 0.00 0.00 175.30 174.78 2dn4 s PHE 78 N -0.49 3.14 -0.54 5.12 0.40 -1.26 0.19 117.98 124.54 2dn4 s PHE 78 Ca -0.05 -1.39 -0.19 0.00 -0.60 0.00 0.00 56.93 54.69 2dn4 s PHE 78 Cb -0.02 -2.15 0.07 0.00 0.51 0.00 0.00 43.02 41.43 2dn4 s PHE 78 CO 0.05 -0.69 0.66 0.08 0.70 0.00 0.00 175.22 176.02 2dn4 s VAL 79 N 1.38 4.85 -1.18 -0.44 1.01 -0.70 -4.80 120.40 120.52 2dn4 s VAL 79 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 2dn4 s VAL 79 Cb -0.18 -4.37 0.23 0.00 0.00 0.00 0.00 36.38 32.06 2dn4 s VAL 79 CO -0.01 -0.93 1.95 -0.38 0.00 0.00 0.00 175.10 175.74 2dn4 n ILE 80 N 5.59 5.41 -0.12 2.22 2.08 -1.26 -2.92 119.36 130.35 2dn4 n ILE 80 Ca -0.08 -5.18 -0.13 0.00 0.56 0.00 0.00 62.75 57.92 2dn4 n ILE 80 Cb 0.44 -1.95 -0.09 0.00 -0.75 0.00 0.00 39.64 37.29 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 4.81 -0.37 -4.71 0.38 1.57 -1.84 -3.34 116.57 113.08 2dn4 h LYS 81 Ca 0.51 0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.63 2dn4 h LYS 81 Cb 0.42 0.08 -0.19 0.00 0.08 0.00 0.00 32.23 32.62 2dn4 h LYS 81 CO 1.38 -0.24 -0.48 0.15 -0.57 0.00 0.00 179.45 179.69 2dn4 s LYS 82 N -5.44 3.46 -0.18 3.15 -0.14 -1.26 -4.94 119.74 114.37 2dn4 s LYS 82 Ca -0.13 -0.67 -0.24 0.00 -1.36 0.00 0.00 55.97 53.57 2dn4 s LYS 82 Cb 0.08 -3.81 -0.21 0.00 -1.68 0.00 0.00 37.83 32.21 2dn4 s LYS 82 CO 0.57 -0.46 0.39 0.45 -0.76 0.00 0.00 175.35 175.54 2dn4 h HIS 83 N 8.49 0.01 -0.83 3.18 3.86 -1.99 -3.36 115.15 124.50 2dn4 h HIS 83 Ca -0.31 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.08 2dn4 h HIS 83 Cb 1.15 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.51 2dn4 h HIS 83 CO 0.66 1.35 0.32 1.05 0.86 0.00 0.00 177.93 182.16 2dn4 h GLU 84 N -0.98 0.37 -1.25 2.45 4.11 -1.95 0.67 114.58 118.01 2dn4 h GLU 84 Ca -0.24 -0.02 0.36 0.00 0.07 0.00 0.00 59.36 59.53 2dn4 h GLU 84 Cb 1.23 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2dn4 h GLU 84 CO -0.14 0.24 1.09 -0.07 0.07 0.00 0.00 179.01 180.20 2dn4 h LEU 85 N 0.38 0.00 0.60 3.06 3.38 -1.99 0.48 115.31 121.21 2dn4 h LEU 85 Ca 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.44 2dn4 h LEU 85 Cb 0.89 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dn4 h LEU 85 CO -0.51 0.00 -0.29 -0.07 0.09 0.00 0.00 178.44 177.67 2dn4 h LEU 86 N 0.00 -0.68 -3.32 1.67 3.38 0.18 -3.48 115.31 113.05 2dn4 h LEU 86 Ca 0.59 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.42 2dn4 h LEU 86 Cb 2.76 0.18 0.01 0.00 0.09 0.00 0.00 40.66 43.70 2dn4 h LEU 86 CO -0.01 -0.28 -1.07 -3.20 0.09 0.00 0.00 178.44 173.97 2dn4 n ASN 87 N -5.31 -6.28 -3.59 -0.43 2.85 0.17 -5.00 115.26 97.67 2dn4 n ASN 87 Ca -0.10 0.24 -0.10 0.00 -0.11 0.00 0.00 54.58 54.51 2dn4 n ASN 87 Cb 0.32 -2.03 -0.02 0.00 1.24 0.00 0.00 39.78 39.29 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 -1.32 -0.45 0.00 1.20 0.15 -1.26 -5.08 113.70 106.95 2dn4 s SER 88 Ca 0.17 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dn4 s SER 88 Cb -0.02 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2dn4 s SER 88 CO 0.46 -1.11 0.00 0.35 1.20 0.00 0.00 173.24 174.13 2dn4 n THR 89 N -0.41 0.00 -3.06 6.45 -2.24 -1.26 -5.10 114.28 108.66 2dn4 n THR 89 Ca -0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2dn4 n THR 89 Cb 0.63 -0.57 0.01 0.00 -2.10 0.00 0.00 70.33 68.30 2dn4 n THR 89 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2dn4 n ARG 90 N -2.35 -1.80 -4.50 -0.78 3.00 -1.26 -4.97 116.66 103.99 2dn4 n ARG 90 Ca 0.00 1.67 -0.34 0.00 -0.00 0.00 0.00 57.85 59.18 2dn4 n ARG 90 Cb 0.33 -3.09 -0.11 0.00 0.00 0.00 0.00 32.46 29.59 2dn4 n ARG 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2dn4 s GLU 91 N -1.66 3.11 -0.28 -0.14 -1.05 -1.26 -5.10 118.70 112.33 2dn4 s GLU 91 Ca 0.10 -0.51 -0.25 0.00 -0.15 0.00 0.00 54.97 54.16 2dn4 s GLU 91 Cb -0.02 -2.74 0.11 0.00 -0.44 0.00 0.00 34.13 31.04 2dn4 s GLU 91 CO 0.49 0.53 0.96 0.34 0.95 0.00 0.00 175.26 178.53 2dn4 s ASP 92 N -0.43 -0.52 -0.01 0.83 2.15 -1.26 -5.18 116.67 112.25 2dn4 s ASP 92 Ca 0.07 1.01 -0.29 0.00 0.43 0.00 0.00 52.55 53.76 2dn4 s ASP 92 Cb -0.12 1.03 0.08 0.00 -0.30 0.00 0.00 42.92 43.60 2dn4 s ASP 92 CO 0.02 -0.17 0.70 -0.22 -0.17 0.00 0.00 175.17 175.33 2dn4 s LEU 93 N 0.29 -0.60 0.22 -1.34 0.20 -1.26 -5.11 118.68 111.08 2dn4 s LEU 93 Ca 0.02 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.33 2dn4 s LEU 93 Cb -0.05 2.47 0.00 0.00 -0.43 0.00 0.00 46.19 48.18 2dn4 s LEU 93 CO -0.05 -0.67 0.00 -1.20 -0.29 0.00 0.00 176.35 174.14 2dn4 n SER 94 N 0.54 -7.88 -3.79 3.68 7.64 -1.26 -4.99 113.62 107.55 2dn4 n SER 94 Ca -0.17 1.13 -0.30 0.00 1.01 0.00 0.00 58.87 60.53 2dn4 n SER 94 Cb 0.59 -4.22 -0.15 0.00 -1.01 0.00 0.00 64.21 59.42 2dn4 n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn4 s GLY 95 N -0.93 1.24 -0.50 0.23 0.00 -1.26 -5.08 107.32 101.02 2dn4 s GLY 95 Ca 0.00 -1.84 -0.28 0.00 0.00 0.00 0.00 44.72 42.60 2dn4 s GLY 95 CO 0.00 1.47 1.46 2.56 0.00 0.00 0.00 173.10 178.60 2dn4 s PRO 96 N 1.47 3.36 -0.30 2.90 0.04 -1.26 -4.90 135.00 136.31 2dn4 s PRO 96 Ca 0.10 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2dn4 s PRO 96 Cb -0.18 -4.11 0.19 0.00 0.04 0.00 0.00 34.50 30.44 2dn4 s PRO 96 CO -0.22 -1.85 1.20 -1.12 0.04 0.00 0.00 177.00 175.05 2dn4 s SER 97 N 4.59 -0.20 0.27 6.66 0.01 -1.26 -5.08 113.70 118.69 2dn4 s SER 97 Ca 0.58 0.28 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2dn4 s SER 97 Cb -0.13 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.29 2dn4 s SER 97 CO 0.28 -0.04 0.00 -0.24 0.41 0.00 0.00 173.24 173.65 2dn4 n SER 98 N 4.26 -0.38 0.00 2.44 2.88 -1.26 -4.92 113.62 116.64 2dn4 n SER 98 Ca -0.10 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dn4 n SER 98 Cb 0.55 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 2dn4 n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42