#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 n SER 2 N 0.00 -7.52 -3.64 1.61 2.88 -1.26 -5.09 113.62 100.61 2dn4 n SER 2 Ca 0.00 1.40 -0.02 0.00 -1.33 0.00 0.00 58.87 58.92 2dn4 n SER 2 Cb 0.00 -4.22 -0.02 0.00 -0.75 0.00 0.00 64.21 59.21 2dn4 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn4 s SER 3 N -4.30 -0.02 0.00 -3.46 1.04 -1.26 -5.17 113.70 100.53 2dn4 s SER 3 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2dn4 s SER 3 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2dn4 s SER 3 CO 0.00 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2dn4 n GLY 4 N 0.07 -0.05 2.65 7.32 0.00 -1.26 -5.00 105.19 108.92 2dn4 n GLY 4 Ca 0.04 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 2dn4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn4 s SER 5 N -2.09 1.82 -0.36 1.61 1.04 -1.26 -5.08 113.70 109.38 2dn4 s SER 5 Ca 0.00 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.16 2dn4 s SER 5 Cb 0.00 -0.22 0.15 0.00 0.10 0.00 0.00 66.02 66.05 2dn4 s SER 5 CO 0.00 -0.30 0.36 -0.44 0.98 0.00 0.00 173.24 173.84 2dn4 s SER 6 N 2.13 1.33 0.00 7.02 0.01 -1.26 -5.01 113.70 117.92 2dn4 s SER 6 Ca 0.03 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2dn4 s SER 6 Cb -0.14 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2dn4 s SER 6 CO -0.06 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2dn4 n GLY 7 N 4.34 3.73 0.17 3.44 0.00 -1.26 -4.88 105.19 110.73 2dn4 n GLY 7 Ca 0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.87 -0.99 0.99 3.38 -1.98 0.70 115.31 116.54 2dn4 h LEU 8 Ca 0.00 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.27 2dn4 h LEU 8 Cb 0.00 0.38 -0.17 0.00 0.09 0.00 0.00 40.66 40.96 2dn4 h LEU 8 CO 0.00 -0.10 -0.34 -0.09 0.09 0.00 0.00 178.44 178.00 2dn4 h ARG 9 N -0.01 -0.00 -0.60 1.13 2.43 -1.95 1.29 114.38 116.67 2dn4 h ARG 9 Ca 0.06 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2dn4 h ARG 9 Cb 0.17 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2dn4 h ARG 9 CO -0.37 -0.00 0.33 -0.22 -1.51 0.00 0.00 179.97 178.19 2dn4 h LYS 10 N -0.00 0.60 -0.20 0.20 3.64 -0.80 1.56 116.57 121.57 2dn4 h LYS 10 Ca 0.39 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 2dn4 h LYS 10 Cb 0.64 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2dn4 h LYS 10 CO -1.00 0.40 -0.06 1.96 -2.27 0.00 0.00 179.45 178.48 2dn4 h GLN 11 N 0.62 -0.02 -0.05 1.90 4.20 0.72 0.46 115.11 122.95 2dn4 h GLN 11 Ca 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 2dn4 h GLN 11 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2dn4 h GLN 11 CO -0.16 -0.01 -0.03 0.28 -0.67 0.00 0.00 178.83 178.24 2dn4 h VAL 12 N -0.02 1.34 -0.59 -0.54 2.07 0.21 0.28 116.25 119.00 2dn4 h VAL 12 Ca 0.10 -1.08 0.12 0.00 0.82 0.00 0.00 66.70 66.66 2dn4 h VAL 12 Cb 0.17 1.97 -0.10 0.00 -1.52 0.00 0.00 31.29 31.81 2dn4 h VAL 12 CO -0.21 0.29 -0.03 -0.33 0.02 0.00 0.00 177.57 177.31 2dn4 h GLU 13 N -0.31 0.09 -0.28 1.57 5.08 0.25 1.55 114.58 122.52 2dn4 h GLU 13 Ca 0.01 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2dn4 h GLU 13 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dn4 h GLU 13 CO 0.01 0.06 -0.54 0.93 -1.00 0.00 0.00 179.01 178.46 2dn4 h GLU 14 N 0.09 0.87 0.35 2.33 4.39 -0.04 -2.99 114.58 119.58 2dn4 h GLU 14 Ca 0.30 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2dn4 h GLU 14 Cb 0.48 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2dn4 h GLU 14 CO -0.53 1.19 -0.17 1.25 -1.16 0.00 0.00 179.01 179.59 2dn4 h LEU 15 N 0.65 -0.39 -0.55 1.33 5.85 0.13 -0.99 115.31 121.34 2dn4 h LEU 15 Ca 0.01 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2dn4 h LEU 15 Cb 1.15 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 2dn4 h LEU 15 CO 0.12 -0.26 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.17 2dn4 h PHE 16 N -0.50 -1.63 -0.35 1.25 -1.00 0.21 0.01 116.94 114.94 2dn4 h PHE 16 Ca -0.05 0.09 0.07 0.00 2.81 0.00 0.00 57.97 60.89 2dn4 h PHE 16 Cb 0.38 0.78 -0.06 0.00 3.61 0.00 0.00 35.95 40.66 2dn4 h PHE 16 CO -0.04 -0.46 -0.07 0.93 -1.61 0.00 0.00 178.31 177.06 2dn4 h GLU 17 N -0.29 0.02 -0.43 1.51 5.08 -1.43 -2.48 114.58 116.56 2dn4 h GLU 17 Ca 0.12 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2dn4 h GLU 17 Cb 0.56 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2dn4 h GLU 17 CO -0.68 0.01 -0.35 0.00 -1.00 0.00 0.00 179.01 177.00 2dn4 h ARG 18 N 0.02 -0.12 -0.43 2.33 3.08 0.38 1.25 114.38 120.89 2dn4 h ARG 18 Ca 0.17 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.27 2dn4 h ARG 18 Cb 0.25 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 2dn4 h ARG 18 CO -0.34 -0.08 -0.41 0.87 -1.07 0.00 0.00 179.97 178.94 2dn4 h LYS 19 N -0.12 -0.19 -0.83 0.04 1.79 -0.92 1.17 116.57 117.51 2dn4 h LYS 19 Ca 0.07 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.73 2dn4 h LYS 19 Cb 0.31 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.90 2dn4 h LYS 19 CO -0.47 -0.13 0.36 -0.92 -1.08 0.00 0.00 179.45 177.21 2dn4 h TYR 20 N -0.20 0.61 -0.70 -1.35 3.20 -0.82 0.39 116.97 118.10 2dn4 h TYR 20 Ca 0.07 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2dn4 h TYR 20 Cb 0.39 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2dn4 h TYR 20 CO -0.79 0.05 0.27 0.00 -1.64 0.00 0.00 178.16 176.05 2dn4 h ALA 21 N 1.61 1.16 -0.32 1.82 0.00 0.49 -2.54 119.26 121.48 2dn4 h ALA 21 Ca 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dn4 h ALA 21 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2dn4 h ALA 21 CO -0.45 0.60 0.14 1.96 0.00 0.00 0.00 179.25 181.50 2dn4 h GLN 22 N 1.02 0.48 0.00 0.00 4.20 0.53 1.74 115.11 123.06 2dn4 h GLN 22 Ca 0.24 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2dn4 h GLN 22 Cb 0.20 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2dn4 h GLN 22 CO -0.02 0.47 0.14 0.00 -0.67 0.00 0.00 178.83 178.75 2dn4 h ALA 23 N 0.98 1.14 0.00 3.87 0.00 -0.49 0.52 119.26 125.28 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dn4 h ALA 23 CO -0.01 -0.14 -0.05 0.44 0.00 0.00 0.00 179.25 179.49 2dn4 n ILE 24 N -2.92 1.49 -4.05 0.00 -5.35 -0.41 -4.99 119.36 103.12 2dn4 n ILE 24 Ca -0.02 -1.75 -0.44 0.00 -0.27 0.00 0.00 62.75 60.27 2dn4 n ILE 24 Cb 0.20 0.01 0.02 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.08 -0.33 -4.16 6.28 4.76 0.32 -4.90 118.16 119.05 2dn4 n LYS 25 Ca 0.11 0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 55.29 2dn4 n LYS 25 Cb 0.56 -2.27 -0.12 0.00 -1.84 0.00 0.00 35.03 31.37 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 -3.54 3.07 -1.85 7.82 0.00 0.51 -4.96 121.76 122.82 2dn4 s ALA 26 Ca 0.44 -0.91 0.18 0.00 0.00 0.00 0.00 51.96 51.66 2dn4 s ALA 26 Cb -0.24 -1.73 0.54 0.00 0.00 0.00 0.00 23.12 21.68 2dn4 s ALA 26 CO 0.93 -0.00 1.44 0.36 0.00 0.00 0.00 175.76 178.49 2dn4 n LYS 27 N 3.95 2.54 -4.53 0.00 2.85 -1.26 -4.53 118.16 117.18 2dn4 n LYS 27 Ca -0.17 -2.17 -0.25 0.00 -1.05 0.00 0.00 58.31 54.67 2dn4 n LYS 27 Cb 0.52 -1.52 -0.11 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.96 2.28 -0.23 2.58 0.00 -1.26 -5.10 107.32 104.62 2dn4 s GLY 28 Ca 0.40 -2.18 -0.29 0.00 0.00 0.00 0.00 44.72 42.65 2dn4 s GLY 28 CO 0.26 -1.96 1.31 2.56 0.00 0.00 0.00 173.10 175.27 2dn4 s PRO 29 N -3.80 4.05 0.34 2.90 0.04 -1.26 -4.93 135.00 132.33 2dn4 s PRO 29 Ca 0.36 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2dn4 s PRO 29 Cb 0.09 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 2dn4 s PRO 29 CO 0.17 -0.95 0.21 0.14 0.04 0.00 0.00 177.00 176.61 2dn4 s VAL 30 N 4.05 3.28 0.00 -0.36 -7.23 -1.26 -5.13 120.40 113.75 2dn4 s VAL 30 Ca 0.57 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2dn4 s VAL 30 Cb -0.20 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 33.63 2dn4 s VAL 30 CO 0.20 -0.18 0.11 -0.89 -0.31 0.00 0.00 175.10 174.02 2dn4 s THR 31 N -2.37 4.89 -0.28 5.32 2.01 -1.26 -4.85 115.64 119.11 2dn4 s THR 31 Ca 0.39 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.92 2dn4 s THR 31 Cb -0.04 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2dn4 s THR 31 CO 0.24 0.33 0.15 -0.63 -0.69 0.00 0.00 174.62 174.02 2dn4 s ILE 32 N -1.24 4.86 -0.46 1.82 1.01 -1.26 -5.04 121.20 120.88 2dn4 s ILE 32 Ca 0.25 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 2dn4 s ILE 32 Cb -0.12 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.01 2dn4 s ILE 32 CO 0.16 0.22 1.44 -2.16 0.00 0.00 0.00 174.94 174.60 2dn4 s PRO 33 N 1.68 3.45 0.06 2.79 0.04 -1.26 -4.86 135.00 136.90 2dn4 s PRO 33 Ca 0.06 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 61.80 2dn4 s PRO 33 Cb -0.16 -4.07 -0.30 0.00 0.04 0.00 0.00 34.50 30.01 2dn4 s PRO 33 CO 0.08 -1.74 1.11 1.88 0.04 0.00 0.00 177.00 178.37 2dn4 h TYR 34 N 11.03 0.68 0.01 0.56 0.05 -1.99 -3.19 116.97 124.13 2dn4 h TYR 34 Ca -0.27 -0.49 -0.00 0.00 0.05 0.00 0.00 58.73 58.02 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 0.99 1.37 -0.01 -1.00 -1.05 0.00 0.00 178.16 178.47 2dn4 h PRO 35 N 0.12 -0.02 -0.79 4.88 0.13 -2.00 -2.88 132.00 131.44 2dn4 h PRO 35 Ca -0.17 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.10 2dn4 h PRO 35 Cb 2.01 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 33.01 2dn4 h PRO 35 CO 0.23 -0.01 -0.26 1.28 -0.23 0.00 0.00 178.00 179.01 2dn4 n LEU 36 N -2.15 -0.41 -0.09 1.56 4.77 -1.26 0.18 117.00 119.59 2dn4 n LEU 36 Ca -0.00 1.37 -0.06 0.00 -0.03 0.00 0.00 56.01 57.29 2dn4 n LEU 36 Cb 0.01 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2dn4 n LEU 36 CO 0.01 -1.27 0.75 -0.26 -1.33 0.00 0.00 177.39 175.29 2dn4 h PHE 37 N 0.00 -0.39 -0.95 -1.77 -1.00 -1.68 0.17 116.94 111.32 2dn4 h PHE 37 Ca 0.32 0.04 0.21 0.00 2.81 0.00 0.00 57.97 61.35 2dn4 h PHE 37 Cb 0.52 0.22 -0.11 0.00 3.61 0.00 0.00 35.95 40.19 2dn4 h PHE 37 CO -0.65 -0.23 0.53 1.96 -1.61 0.00 0.00 178.31 178.30 2dn4 h GLN 38 N -0.10 0.58 0.00 1.51 1.08 0.21 0.80 115.11 119.19 2dn4 h GLN 38 Ca 0.17 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 2dn4 h GLN 38 Cb 0.36 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2dn4 h GLN 38 CO -0.41 0.39 -0.59 1.03 -0.95 0.00 0.00 178.83 178.30 2dn4 h SER 39 N 0.60 0.00 -2.24 1.46 0.87 -0.04 -3.33 113.55 110.87 2dn4 h SER 39 Ca 0.58 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.55 2dn4 h SER 39 Cb 1.00 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.55 2dn4 h SER 39 CO -0.44 0.59 -0.76 1.41 -0.53 0.00 0.00 176.83 177.10 2dn4 n HIS 40 N -3.73 2.20 0.69 2.24 8.25 0.25 -4.84 115.22 120.28 2dn4 n HIS 40 Ca -0.01 -3.95 0.13 0.00 -0.26 0.00 0.00 57.72 53.62 2dn4 n HIS 40 Cb 0.61 -0.46 0.30 0.00 1.12 0.00 0.00 29.99 31.56 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 1.23 0.34 0.13 1.59 0.24 0.49 0.42 118.33 122.77 2dn4 n VAL 41 Ca 0.26 -0.21 0.06 0.00 -2.04 0.00 0.00 64.34 62.41 2dn4 n VAL 41 Cb 0.44 -0.25 0.04 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.00 0.00 0.00 7.34 4.39 -1.88 -3.40 114.58 121.03 2dn4 h GLU 42 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2dn4 h GLU 42 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2dn4 h GLU 42 CO 0.00 0.28 -1.04 -0.25 -1.16 0.00 0.00 179.01 176.83 2dn4 n ASP 43 N -3.06 1.01 -4.53 1.42 9.92 -1.21 -4.95 116.55 115.15 2dn4 n ASP 43 Ca 0.00 0.16 -0.42 0.00 -0.53 0.00 0.00 54.79 54.00 2dn4 n ASP 43 Cb 0.68 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.71 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 -6.88 4.53 -0.03 0.64 1.43 0.17 -2.39 118.68 116.14 2dn4 s LEU 44 Ca -0.12 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 2dn4 s LEU 44 Cb 0.04 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.81 2dn4 s LEU 44 CO 0.17 -0.57 0.89 -0.72 0.23 0.00 0.00 176.35 176.35 2dn4 s TYR 45 N 2.41 -0.37 0.11 0.29 1.13 -1.15 -3.74 117.35 116.03 2dn4 s TYR 45 Ca 0.18 0.33 0.02 0.00 -1.41 0.00 0.00 57.07 56.19 2dn4 s TYR 45 Cb -0.16 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 2dn4 s TYR 45 CO 0.15 -0.52 0.21 0.08 -2.51 0.00 0.00 175.55 172.96 2dn4 s VAL 46 N -2.68 5.11 0.32 -3.49 1.01 -1.26 -1.65 120.40 117.75 2dn4 s VAL 46 Ca 0.03 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2dn4 s VAL 46 Cb -0.01 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2dn4 s VAL 46 CO -0.06 0.01 0.24 -0.62 0.00 0.00 0.00 175.10 174.67 2dn4 n GLU 47 N -0.10 0.41 -0.91 2.72 1.02 0.41 -4.84 120.64 119.36 2dn4 n GLU 47 Ca -0.07 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 2dn4 n GLU 47 Cb 0.53 2.38 0.00 0.00 -0.02 0.00 0.00 31.44 34.33 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 -0.58 0.72 3.77 0.62 0.00 -1.26 0.93 105.19 109.39 2dn4 n GLY 48 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2dn4 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dn4 s LEU 49 N 0.00 3.38 0.00 0.99 1.43 -1.26 -2.84 118.68 120.38 2dn4 s LEU 49 Ca 0.00 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.03 2dn4 s LEU 49 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 2dn4 s LEU 49 CO 0.00 -1.65 0.46 -0.81 0.23 0.00 0.00 176.35 174.58 2dn4 n PRO 50 N -2.44 -1.15 -3.06 1.29 -0.04 -1.26 -5.00 135.00 123.33 2dn4 n PRO 50 Ca 0.10 -0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 62.45 2dn4 n PRO 50 Cb 0.52 -0.57 -0.06 0.00 -0.04 0.00 0.00 33.50 33.35 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 -4.02 4.45 -0.92 0.54 2.02 -1.26 -3.72 118.70 115.79 2dn4 s GLU 51 Ca 0.28 1.02 0.00 0.00 0.02 0.00 0.00 54.97 56.28 2dn4 s GLU 51 Cb -0.02 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2dn4 s GLU 51 CO 0.20 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.42 2dn4 n GLY 52 N 1.82 0.03 2.85 -1.39 0.00 -1.26 -4.99 105.19 102.26 2dn4 n GLY 52 Ca -0.06 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.51 -0.50 0.00 -0.61 1.01 -1.24 -5.10 121.20 112.25 2dn4 s ILE 53 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2dn4 s ILE 53 Cb 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2dn4 s ILE 53 CO 0.00 -0.42 0.00 -0.81 0.00 0.00 0.00 174.94 173.71 2dn4 n PRO 54 N 4.81 0.59 -3.53 2.79 -0.04 -1.26 -4.31 135.00 134.06 2dn4 n PRO 54 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 2dn4 n PRO 54 Cb 0.48 0.00 -0.04 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 -0.80 4.45 -4.35 0.54 7.35 -1.26 -5.00 117.46 118.39 2dn4 n PHE 55 Ca 0.00 -4.02 -0.18 0.00 -0.76 0.00 0.00 57.45 52.49 2dn4 n PHE 55 Cb 0.00 -1.29 -0.10 0.00 0.35 0.00 0.00 39.48 38.44 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 -1.45 1.38 -0.18 -4.13 1.81 -1.26 -5.00 118.95 110.12 2dn4 s ARG 56 Ca 0.29 -1.71 -0.38 0.00 -1.72 0.00 0.00 55.73 52.22 2dn4 s ARG 56 Cb -0.07 -0.69 -0.18 0.00 -0.45 0.00 0.00 34.95 33.57 2dn4 s ARG 56 CO -0.10 -0.09 1.14 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 -4.75 116.66 115.48 2dn4 n ARG 57 Ca -0.05 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.13 2dn4 n ARG 57 Cb 0.64 -1.32 0.56 0.00 -1.02 0.00 0.00 32.46 31.32 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 2.23 0.75 -0.24 5.56 -0.04 -1.26 -2.33 135.00 139.67 2dn4 n PRO 58 Ca 0.22 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2dn4 n PRO 58 Cb 0.02 -1.39 0.25 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 -0.89 2.84 0.00 3.54 3.41 -1.26 -3.73 113.62 117.53 2dn4 n SER 59 Ca 0.14 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 2dn4 n SER 59 Cb 0.06 -0.32 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 1.06 0.15 -3.27 6.66 5.66 -0.99 -5.06 114.28 118.49 2dn4 n THR 60 Ca 0.18 -0.37 -0.29 0.00 -3.05 0.00 0.00 64.05 60.51 2dn4 n THR 60 Cb 0.46 1.23 -0.04 0.00 -1.55 0.00 0.00 70.33 70.44 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 -0.15 3.47 0.81 1.09 2.02 -1.24 -5.08 117.35 118.27 2dn4 s TYR 61 Ca 0.00 0.75 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 2dn4 s TYR 61 Cb 0.00 -2.19 0.08 0.00 -0.40 0.00 0.00 41.96 39.45 2dn4 s TYR 61 CO 0.00 0.14 1.09 0.20 -1.57 0.00 0.00 175.55 175.41 2dn4 s GLY 62 N -3.01 1.63 0.21 0.71 0.00 -1.26 -4.78 107.32 100.82 2dn4 s GLY 62 Ca 0.46 -0.08 -0.09 0.00 0.00 0.00 0.00 44.72 45.01 2dn4 s GLY 62 CO 0.28 0.35 1.82 -2.22 0.00 0.00 0.00 173.10 173.33 2dn4 h ILE 63 N -1.20 1.01 -0.02 0.90 5.03 -1.99 0.15 117.51 121.39 2dn4 h ILE 63 Ca -0.47 -0.26 -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 0.14 -0.81 1.55 -0.68 0.00 0.00 178.15 178.91 2dn4 h PRO 64 N 0.75 0.23 -0.73 2.37 0.13 -2.00 -2.60 132.00 130.15 2dn4 h PRO 64 Ca 0.30 -0.22 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2dn4 h PRO 64 Cb 0.14 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 2dn4 h PRO 64 CO -0.16 0.92 0.24 0.00 -0.23 0.00 0.00 178.00 178.78 2dn4 h ARG 65 N 0.14 1.12 -0.02 0.86 3.08 -1.69 -2.46 114.38 115.41 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 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2dn4 h ARG 65 CO 0.13 0.94 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.89 2dn4 h LEU 66 N 1.08 0.04 -0.46 3.04 3.38 -0.72 -2.93 115.31 118.74 2dn4 h LEU 66 Ca 0.24 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.85 2dn4 h LEU 66 Cb 0.28 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 2dn4 h LEU 66 CO -0.01 0.44 -0.44 -0.33 0.09 0.00 0.00 178.44 178.19 2dn4 h GLU 67 N -0.36 -0.21 -0.66 1.13 5.08 -1.27 0.53 114.58 118.82 2dn4 h GLU 67 Ca 0.00 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2dn4 h GLU 67 Cb 0.42 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.60 2dn4 h GLU 67 CO 0.00 -0.14 -0.30 0.00 -1.00 0.00 0.00 179.01 177.58 2dn4 h ARG 68 N -0.21 -0.10 -1.01 2.33 3.08 -1.49 0.96 114.38 117.93 2dn4 h ARG 68 Ca 0.08 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.36 2dn4 h ARG 68 Cb 0.42 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.38 2dn4 h ARG 68 CO -0.55 -0.07 0.61 0.82 -1.07 0.00 0.00 179.97 179.72 2dn4 h ILE 69 N -0.11 0.61 -0.08 2.04 2.04 -0.82 1.40 117.51 122.59 2dn4 h ILE 69 Ca 0.27 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 2dn4 h ILE 69 Cb 0.55 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2dn4 h ILE 69 CO -0.72 0.11 -0.58 -0.07 0.00 0.00 0.00 178.15 176.89 2dn4 h LEU 70 N 0.63 0.30 -0.06 1.44 3.38 0.28 0.82 115.31 122.10 2dn4 h LEU 70 Ca 0.60 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2dn4 h LEU 70 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dn4 h LEU 70 CO -0.40 0.81 0.00 -0.07 0.09 0.00 0.00 178.44 178.87 2dn4 h LEU 71 N 0.20 0.00 -0.90 1.67 3.38 0.48 -2.85 115.31 117.30 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 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2dn4 h LEU 71 CO 0.09 0.00 -0.48 0.00 0.09 0.00 0.00 178.44 178.14 2dn4 n ALA 72 N -1.83 3.55 -0.24 1.53 0.00 0.40 -4.45 120.51 119.47 2dn4 n ALA 72 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2dn4 n ALA 72 Cb 0.43 -0.73 0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 2.10 -0.01 -0.26 0.00 2.10 -0.60 2.19 116.57 122.09 2dn4 h LYS 73 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2dn4 h LYS 73 Cb 0.68 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2dn4 h LYS 73 CO 0.00 -0.01 0.58 0.93 -2.00 0.00 0.00 179.45 178.95 2dn4 h GLU 74 N -0.01 0.00 0.00 0.07 5.08 -1.79 0.58 114.58 118.51 2dn4 h GLU 74 Ca 0.33 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.39 2dn4 h GLU 74 Cb 0.53 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2dn4 h GLU 74 CO -0.73 0.00 -2.14 0.54 -1.00 0.00 0.00 179.01 175.67 2dn4 n ARG 75 N -3.13 0.62 -1.28 2.33 5.12 0.62 -5.01 116.66 115.93 2dn4 n ARG 75 Ca 0.04 0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.65 2dn4 n ARG 75 Cb 0.69 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 30.58 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 -3.03 0.87 -3.58 0.55 5.41 0.51 -4.03 119.36 116.06 2dn4 n ILE 76 Ca -0.35 -0.49 -0.15 0.00 1.00 0.00 0.00 62.75 62.77 2dn4 n ILE 76 Cb 0.90 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.76 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 -0.97 0.89 -0.35 0.38 3.52 0.26 -4.80 118.95 117.89 2dn4 s ARG 77 Ca 0.58 0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 56.71 2dn4 s ARG 77 Cb -0.67 0.42 0.05 0.00 -1.56 0.00 0.00 34.95 33.19 2dn4 s ARG 77 CO 0.60 -0.20 0.11 -0.06 -0.81 0.00 0.00 175.30 174.94 2dn4 s PHE 78 N -0.42 3.30 -0.54 5.12 0.40 -1.26 0.16 117.98 124.74 2dn4 s PHE 78 Ca -0.05 -1.61 -0.23 0.00 -0.60 0.00 0.00 56.93 54.44 2dn4 s PHE 78 Cb -0.03 -2.41 0.04 0.00 0.51 0.00 0.00 43.02 41.14 2dn4 s PHE 78 CO 0.04 -0.78 0.87 0.08 0.70 0.00 0.00 175.22 176.13 2dn4 s VAL 79 N 1.35 4.50 -1.08 -0.44 1.01 -0.66 -4.78 120.40 120.30 2dn4 s VAL 79 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2dn4 s VAL 79 Cb -0.20 -4.48 0.29 0.00 0.00 0.00 0.00 36.38 31.98 2dn4 s VAL 79 CO 0.01 -1.03 1.87 -0.38 0.00 0.00 0.00 175.10 175.57 2dn4 n ILE 80 N 6.08 5.86 -0.23 2.22 2.08 -1.26 -2.94 119.36 131.18 2dn4 n ILE 80 Ca 0.00 -5.71 -0.08 0.00 0.56 0.00 0.00 62.75 57.52 2dn4 n ILE 80 Cb 0.47 -1.71 -0.04 0.00 -0.75 0.00 0.00 39.64 37.61 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 4.45 -0.20 -5.03 0.38 1.57 -1.83 -3.35 116.57 112.56 2dn4 h LYS 81 Ca 0.52 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.67 2dn4 h LYS 81 Cb 0.36 0.05 -0.21 0.00 0.08 0.00 0.00 32.23 32.51 2dn4 h LYS 81 CO 1.25 -0.13 -0.61 0.15 -0.57 0.00 0.00 179.45 179.54 2dn4 s LYS 82 N -5.82 3.73 -0.14 3.15 -0.14 -1.26 -4.99 119.74 114.28 2dn4 s LYS 82 Ca -0.14 -0.45 -0.10 0.00 -1.36 0.00 0.00 55.97 53.93 2dn4 s LYS 82 Cb 0.13 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.93 2dn4 s LYS 82 CO 0.66 -0.08 -0.07 0.45 -0.76 0.00 0.00 175.35 175.55 2dn4 h HIS 83 N 7.87 0.00 -0.98 3.18 3.86 -1.99 -3.37 115.15 123.71 2dn4 h HIS 83 Ca -0.37 0.00 0.33 0.00 -1.16 0.00 0.00 60.37 59.17 2dn4 h HIS 83 Cb 1.18 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.49 2dn4 h HIS 83 CO 0.65 0.21 0.45 1.05 0.86 0.00 0.00 177.93 181.15 2dn4 h GLU 84 N -1.00 0.18 -0.95 2.45 4.11 -1.94 1.07 114.58 118.49 2dn4 h GLU 84 Ca -0.04 -0.01 0.28 0.00 0.07 0.00 0.00 59.36 59.66 2dn4 h GLU 84 Cb 0.53 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.59 2dn4 h GLU 84 CO -0.03 0.12 0.43 -0.07 0.07 0.00 0.00 179.01 179.53 2dn4 h LEU 85 N 0.18 0.30 0.32 3.06 3.38 -2.00 0.31 115.31 120.86 2dn4 h LEU 85 Ca 0.73 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.89 2dn4 h LEU 85 Cb 1.71 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2dn4 h LEU 85 CO -0.69 -0.14 -0.33 -0.07 0.09 0.00 0.00 178.44 177.29 2dn4 h LEU 86 N 0.28 -0.90 -8.41 1.67 3.38 0.10 -3.35 115.31 108.08 2dn4 h LEU 86 Ca 0.66 0.08 -0.53 0.00 0.09 0.00 0.00 57.88 58.18 2dn4 h LEU 86 Cb 1.43 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 42.42 2dn4 h LEU 86 CO -0.63 -0.46 1.13 0.20 0.09 0.00 0.00 178.44 178.76 2dn4 s ASN 87 N -4.64 5.96 -0.30 -0.43 0.01 0.11 -4.84 114.94 110.82 2dn4 s ASN 87 Ca -0.17 -0.20 -0.10 0.00 -0.71 0.00 0.00 52.86 51.69 2dn4 s ASN 87 Cb 0.06 -2.55 0.19 0.00 0.41 0.00 0.00 41.25 39.36 2dn4 s ASN 87 CO 0.63 -1.94 1.01 -0.94 -1.51 0.00 0.00 177.10 174.35 2dn4 s SER 88 N 4.77 -0.51 0.00 -1.22 1.04 -1.26 -4.88 113.70 111.65 2dn4 s SER 88 Ca 0.44 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2dn4 s SER 88 Cb -0.09 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2dn4 s SER 88 CO 0.17 -0.09 0.00 1.07 0.98 0.00 0.00 173.24 175.37 2dn4 n THR 89 N 5.16 0.00 -2.65 2.02 5.66 -1.26 -5.10 114.28 118.11 2dn4 n THR 89 Ca 0.08 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.03 2dn4 n THR 89 Cb 0.57 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.31 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 0.00 -4.28 -3.67 1.09 5.12 -1.26 -4.96 116.66 108.69 2dn4 n ARG 90 Ca 0.00 3.26 -0.39 0.00 -1.93 0.00 0.00 57.85 58.79 2dn4 n ARG 90 Cb 0.00 -4.88 -0.12 0.00 -1.16 0.00 0.00 32.46 26.30 2dn4 n ARG 90 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2dn4 s GLU 91 N -0.77 3.16 -0.31 5.56 2.02 -1.26 -4.98 118.70 122.12 2dn4 s GLU 91 Ca -0.24 -0.83 -0.11 0.00 0.02 0.00 0.00 54.97 53.81 2dn4 s GLU 91 Cb 0.02 -3.54 0.19 0.00 0.10 0.00 0.00 34.13 30.89 2dn4 s GLU 91 CO 0.75 -0.48 1.07 0.16 0.02 0.00 0.00 175.26 176.78 2dn4 s ASP 92 N 1.57 -0.28 -0.29 -0.19 1.47 -1.26 -5.16 116.67 112.53 2dn4 s ASP 92 Ca 0.03 -0.08 -0.17 0.00 1.18 0.00 0.00 52.55 53.52 2dn4 s ASP 92 Cb -0.18 0.64 0.13 0.00 -0.34 0.00 0.00 42.92 43.18 2dn4 s ASP 92 CO 0.05 -0.04 0.93 -0.22 0.68 0.00 0.00 175.17 176.57 2dn4 s LEU 93 N 2.32 -0.58 0.09 2.11 2.96 -1.26 -5.15 118.68 119.17 2dn4 s LEU 93 Ca 0.20 0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 54.74 2dn4 s LEU 93 Cb 0.02 1.86 -0.05 0.00 0.50 0.00 0.00 46.19 48.51 2dn4 s LEU 93 CO -0.18 -0.15 0.98 -0.55 -1.32 0.00 0.00 176.35 175.14 2dn4 s SER 94 N 1.33 7.44 0.00 3.68 0.15 -1.26 -4.98 113.70 120.06 2dn4 s SER 94 Ca -0.09 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.36 2dn4 s SER 94 Cb -0.04 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dn4 s SER 94 CO -0.15 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dn4 n GLY 95 N 2.40 3.27 3.77 9.45 0.00 -1.26 -5.17 105.19 117.66 2dn4 n GLY 95 Ca 0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 0.26 -0.03 1.61 0.04 -1.26 -5.10 135.00 130.03 2dn4 s PRO 96 Ca 0.00 -0.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.88 2dn4 s PRO 96 Cb 0.00 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dn4 s PRO 96 CO 0.00 -2.73 0.27 -1.54 0.04 0.00 0.00 177.00 173.05 2dn4 s SER 97 N -4.26 -0.18 0.14 6.66 1.04 -1.26 -5.17 113.70 110.67 2dn4 s SER 97 Ca 0.69 0.15 -0.25 0.00 0.48 0.00 0.00 55.95 57.02 2dn4 s SER 97 Cb -0.10 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.45 2dn4 s SER 97 CO 0.54 -0.35 0.89 -0.94 0.98 0.00 0.00 173.24 174.36 2dn4 s SER 98 N -0.98 -0.25 0.00 7.02 1.04 -1.26 -5.37 113.70 113.90 2dn4 s SER 98 Ca -0.11 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2dn4 s SER 98 Cb -0.05 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2dn4 s SER 98 CO 0.03 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.95