#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg4 n ASP 3 N 0.00 3.87 0.07 -2.24 -0.08 -1.26 -4.89 116.55 112.03 2pg4 n ASP 3 Ca 0.00 1.09 0.11 0.00 -1.51 0.00 0.00 54.79 54.49 2pg4 n ASP 3 Cb 0.00 -1.57 0.45 0.00 2.34 0.00 0.00 41.12 42.34 2pg4 n ASP 3 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2pg4 n GLU 4 N 3.26 0.14 -0.29 -0.67 0.00 -1.26 -2.35 120.64 119.47 2pg4 n GLU 4 Ca 0.13 0.26 0.16 0.00 0.00 0.00 0.00 57.16 57.71 2pg4 n GLU 4 Cb 0.35 -1.71 0.43 0.00 0.00 0.00 0.00 31.44 30.51 2pg4 n GLU 4 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2pg4 h THR 5 N 0.00 0.72 0.00 6.31 2.02 -1.90 -1.85 112.91 118.20 2pg4 h THR 5 Ca 0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2pg4 h THR 5 Cb 0.46 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2pg4 h THR 5 CO 0.00 0.11 -0.10 -0.07 0.37 0.00 0.00 175.52 175.82 2pg4 h LEU 6 N 0.58 0.00 -0.14 2.58 3.38 -1.85 -2.70 115.31 117.16 2pg4 h LEU 6 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2pg4 h LEU 6 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2pg4 h LEU 6 CO -0.25 0.10 -0.30 0.54 0.09 0.00 0.00 178.44 178.62 2pg4 n ARG 7 N -3.59 0.28 -1.99 1.13 1.74 -0.70 -4.90 116.66 108.64 2pg4 n ARG 7 Ca -0.02 -0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.61 2pg4 n ARG 7 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2pg4 n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pg4 s LEU 8 N -2.81 3.35 0.33 0.55 1.43 -1.02 -5.04 118.68 115.48 2pg4 s LEU 8 Ca 0.17 1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 54.56 2pg4 s LEU 8 Cb 0.19 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 2pg4 s LEU 8 CO 0.60 -0.91 0.92 -1.58 0.23 0.00 0.00 176.35 175.61 2pg4 s GLN 9 N -4.74 4.48 0.06 1.70 0.74 -1.26 -4.98 119.66 115.66 2pg4 s GLN 9 Ca 0.57 1.24 -0.20 0.00 0.05 0.00 0.00 55.36 57.02 2pg4 s GLN 9 Cb -0.12 -2.68 -0.12 0.00 1.10 0.00 0.00 33.01 31.19 2pg4 s GLN 9 CO 0.46 0.23 1.45 0.35 -0.55 0.00 0.00 175.29 177.23 2pg4 h PHE 10 N 2.94 0.38 -0.35 1.67 3.57 -1.98 -2.71 116.94 120.46 2pg4 h PHE 10 Ca -0.47 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.01 2pg4 h PHE 10 Cb 1.19 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 2pg4 h PHE 10 CO 0.62 0.60 -0.03 0.78 -2.23 0.00 0.00 178.31 178.05 2pg4 h GLY 11 N 0.05 0.31 0.49 2.40 0.00 -1.98 -0.16 103.07 104.19 2pg4 h GLY 11 Ca 0.05 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.54 2pg4 h GLY 11 CO 0.02 -0.10 0.41 0.45 0.00 0.00 0.00 176.54 177.32 2pg4 h HIS 12 N 0.06 0.74 0.29 5.60 3.86 -1.97 -0.99 115.15 122.74 2pg4 h HIS 12 Ca 0.17 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2pg4 h HIS 12 Cb 0.25 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2pg4 h HIS 12 CO -0.28 0.29 -0.14 -0.07 0.86 0.00 0.00 177.93 178.59 2pg4 h LEU 13 N 0.69 -0.33 -2.16 2.43 3.38 -1.10 -1.85 115.31 116.38 2pg4 h LEU 13 Ca 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2pg4 h LEU 13 Cb 0.37 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pg4 h LEU 13 CO -0.26 -0.01 -0.07 -0.29 0.09 0.00 0.00 178.44 177.91 2pg4 h ILE 14 N -0.67 0.42 0.00 1.22 2.10 -0.96 -2.00 117.51 117.61 2pg4 h ILE 14 Ca -0.04 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.56 2pg4 h ILE 14 Cb 0.47 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 37.43 2pg4 h ILE 14 CO 0.07 0.06 -0.06 0.03 -1.08 0.00 0.00 178.15 177.17 2pg4 h ARG 15 N 0.00 0.00 -0.09 2.19 3.08 -1.21 -3.39 114.38 114.96 2pg4 h ARG 15 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2pg4 h ARG 15 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2pg4 h ARG 15 CO 0.01 0.17 -0.82 0.82 -1.07 0.00 0.00 179.97 179.07 2pg4 h ILE 16 N -1.00 1.30 0.03 2.04 2.04 -1.27 -2.89 117.51 117.75 2pg4 h ILE 16 Ca -0.01 -2.05 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 2pg4 h ILE 16 Cb 0.21 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2pg4 h ILE 16 CO -0.00 0.64 -0.01 -0.07 0.00 0.00 0.00 178.15 178.70 2pg4 h LEU 17 N 0.40 -0.03 -1.03 1.44 4.07 -1.57 -1.96 115.31 116.62 2pg4 h LEU 17 Ca -0.08 -0.57 0.14 0.00 0.08 0.00 0.00 57.88 57.45 2pg4 h LEU 17 Cb 1.47 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 43.13 2pg4 h LEU 17 CO 0.17 0.57 0.62 -0.65 -1.08 0.00 0.00 178.44 178.07 2pg4 h PRO 18 N -0.65 0.89 -0.48 1.13 0.11 -1.74 -2.01 132.00 129.25 2pg4 h PRO 18 Ca -0.00 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.09 2pg4 h PRO 18 Cb 0.60 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 2pg4 h PRO 18 CO 0.01 0.59 0.26 1.15 -0.21 0.00 0.00 178.00 179.79 2pg4 h THR 19 N 0.91 0.99 -0.42 -1.15 2.02 -1.27 -1.43 112.91 112.57 2pg4 h THR 19 Ca 0.51 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.41 2pg4 h THR 19 Cb 0.61 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2pg4 h THR 19 CO -0.29 0.09 -0.16 -0.07 0.37 0.00 0.00 175.52 175.46 2pg4 h LEU 20 N 0.51 0.80 -1.11 2.58 3.38 -1.20 -2.05 115.31 118.22 2pg4 h LEU 20 Ca 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2pg4 h LEU 20 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2pg4 h LEU 20 CO -0.13 0.96 0.49 0.25 0.09 0.00 0.00 178.44 180.11 2pg4 h LEU 21 N 0.71 0.97 -0.31 1.67 5.85 -1.16 -1.85 115.31 121.19 2pg4 h LEU 21 Ca 0.11 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 2pg4 h LEU 21 Cb 0.67 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2pg4 h LEU 21 CO 0.05 0.75 -0.67 -0.33 -0.34 0.00 0.00 178.44 177.89 2pg4 h GLU 22 N 1.12 0.68 -0.39 1.25 5.08 -0.88 -0.01 114.58 121.44 2pg4 h GLU 22 Ca 0.29 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2pg4 h GLU 22 Cb -0.05 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2pg4 h GLU 22 CO -0.06 1.12 0.25 0.74 -1.00 0.00 0.00 179.01 180.07 2pg4 h PHE 23 N 0.49 0.48 -0.66 4.33 0.04 -1.38 -2.67 116.94 117.57 2pg4 h PHE 23 Ca -0.02 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2pg4 h PHE 23 Cb 1.27 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 2pg4 h PHE 23 CO 0.07 0.30 0.36 1.49 -0.60 0.00 0.00 178.31 179.93 2pg4 h GLU 24 N 0.52 0.92 -0.26 1.51 4.81 -1.09 -0.92 114.58 120.07 2pg4 h GLU 24 Ca 0.14 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2pg4 h GLU 24 Cb -0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2pg4 h GLU 24 CO -0.03 0.70 0.12 0.87 -0.73 0.00 0.00 179.01 179.93 2pg4 h LYS 25 N 0.91 0.36 -0.00 1.92 1.57 -0.96 -2.00 116.57 118.36 2pg4 h LYS 25 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2pg4 h LYS 25 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2pg4 h LYS 25 CO -0.04 0.28 -0.03 1.63 -0.57 0.00 0.00 179.45 180.72 2pg4 n LYS 26 N -4.45 0.64 -1.03 3.15 5.02 -0.75 -4.93 118.16 115.80 2pg4 n LYS 26 Ca 0.01 -0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 2pg4 n LYS 26 Cb 0.11 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2pg4 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pg4 n GLY 27 N 1.23 0.50 3.72 0.72 0.00 -0.75 -5.04 105.19 105.56 2pg4 n GLY 27 Ca 0.16 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2pg4 n GLY 27 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pg4 s TYR 28 N -2.00 3.32 -0.57 1.61 5.04 -0.43 -4.99 117.35 119.33 2pg4 s TYR 28 Ca 0.00 0.24 -0.14 0.00 -2.44 0.00 0.00 57.07 54.73 2pg4 s TYR 28 Cb 0.00 -1.95 0.14 0.00 0.35 0.00 0.00 41.96 40.51 2pg4 s TYR 28 CO 0.00 0.42 0.52 -1.21 -1.34 0.00 0.00 175.55 173.94 2pg4 s GLU 29 N -0.42 3.00 0.29 4.97 2.02 -1.26 -4.11 118.70 123.19 2pg4 s GLU 29 Ca 0.10 -1.85 -0.15 0.00 0.02 0.00 0.00 54.97 53.09 2pg4 s GLU 29 Cb -0.12 -4.25 -0.09 0.00 0.10 0.00 0.00 34.13 29.77 2pg4 s GLU 29 CO 0.02 -1.30 0.71 -1.25 0.02 0.00 0.00 175.26 173.46 2pg4 s PRO 30 N 1.32 4.01 0.74 0.39 0.04 -1.26 -5.05 135.00 135.19 2pg4 s PRO 30 Ca 0.06 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 2pg4 s PRO 30 Cb -0.26 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 31.79 2pg4 s PRO 30 CO 0.01 0.21 1.08 -1.54 0.04 0.00 0.00 177.00 176.79 2pg4 s SER 31 N -2.19 4.92 0.34 6.66 1.04 -1.26 -4.32 113.70 118.89 2pg4 s SER 31 Ca 0.51 1.57 0.08 0.00 0.48 0.00 0.00 55.95 58.59 2pg4 s SER 31 Cb -0.11 -2.37 0.77 0.00 0.10 0.00 0.00 66.02 64.41 2pg4 s SER 31 CO 0.18 -1.73 1.86 -0.07 0.98 0.00 0.00 173.24 174.46 2pg4 h LEU 32 N -0.92 0.70 -0.53 2.42 3.38 -1.72 -0.44 115.31 118.20 2pg4 h LEU 32 Ca -0.45 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2pg4 h LEU 32 Cb 1.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2pg4 h LEU 32 CO 0.56 0.36 0.08 0.00 0.09 0.00 0.00 178.44 179.53 2pg4 h ALA 33 N 1.59 0.71 -0.32 1.53 0.00 -1.92 -1.86 119.26 118.99 2pg4 h ALA 33 Ca 0.46 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2pg4 h ALA 33 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2pg4 h ALA 33 CO -0.22 0.45 -0.42 0.93 0.00 0.00 0.00 179.25 180.00 2pg4 h GLU 34 N 0.77 0.79 -0.38 0.00 5.08 -1.62 -1.21 114.58 118.00 2pg4 h GLU 34 Ca 0.16 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2pg4 h GLU 34 Cb 0.42 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2pg4 h GLU 34 CO 0.01 1.05 0.19 0.82 -1.00 0.00 0.00 179.01 180.09 2pg4 h ILE 35 N 0.64 0.98 -0.08 3.13 2.04 -1.04 0.81 117.51 123.99 2pg4 h ILE 35 Ca 0.05 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2pg4 h ILE 35 Cb 0.98 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2pg4 h ILE 35 CO 0.09 0.07 0.04 0.58 0.00 0.00 0.00 178.15 178.94 2pg4 h VAL 36 N 0.39 1.09 0.14 1.67 2.07 -1.20 -1.83 116.25 118.58 2pg4 h VAL 36 Ca 0.16 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2pg4 h VAL 36 Cb 0.07 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2pg4 h VAL 36 CO -0.11 0.08 -0.12 0.50 0.02 0.00 0.00 177.57 177.94 2pg4 h LYS 37 N 0.03 -0.26 -0.50 1.57 1.63 -1.07 -1.01 116.57 116.95 2pg4 h LYS 37 Ca 0.03 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 2pg4 h LYS 37 Cb 0.09 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2pg4 h LYS 37 CO -0.00 -0.18 0.01 0.00 -3.45 0.00 0.00 179.45 175.83 2pg4 h ALA 38 N 0.57 1.08 0.04 5.00 0.00 -0.87 -3.29 119.26 121.78 2pg4 h ALA 38 Ca -0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2pg4 h ALA 38 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pg4 h ALA 38 CO -0.01 0.58 -1.01 0.66 0.00 0.00 0.00 179.25 179.47 2pg4 h SER 39 N 0.78 0.32 0.00 0.00 4.64 -1.21 -3.48 113.55 114.60 2pg4 h SER 39 Ca 0.15 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2pg4 h SER 39 Cb 0.45 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2pg4 h SER 39 CO 0.02 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 2pg4 n GLY 40 N 1.15 0.76 3.81 -0.77 0.00 -0.40 -4.79 105.19 104.95 2pg4 n GLY 40 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2pg4 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pg4 s VAL 41 N -2.32 3.89 0.38 1.61 -7.23 -1.24 -5.01 120.40 110.47 2pg4 s VAL 41 Ca 0.00 0.63 -0.24 0.00 -1.81 0.00 0.00 61.98 60.56 2pg4 s VAL 41 Cb 0.00 -3.31 -0.10 0.00 0.56 0.00 0.00 36.38 33.53 2pg4 s VAL 41 CO 0.00 -0.78 0.98 -0.94 -0.31 0.00 0.00 175.10 174.05 2pg4 s SER 42 N -3.65 7.00 0.20 4.85 1.04 -1.26 -4.80 113.70 117.08 2pg4 s SER 42 Ca 0.59 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.77 2pg4 s SER 42 Cb -0.15 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.57 2pg4 s SER 42 CO 0.54 -0.31 1.84 -0.33 0.98 0.00 0.00 173.24 175.96 2pg4 h GLU 43 N 2.54 0.79 0.15 4.02 3.07 -1.95 -1.08 114.58 122.13 2pg4 h GLU 43 Ca -0.48 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 2pg4 h GLU 43 Cb 1.20 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2pg4 h GLU 43 CO 0.63 0.52 -0.07 -0.22 -1.40 0.00 0.00 179.01 178.47 2pg4 h LYS 44 N 0.82 -0.20 -0.79 2.33 3.11 -1.97 -0.36 116.57 119.51 2pg4 h LYS 44 Ca 0.26 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 58.25 2pg4 h LYS 44 Cb 0.01 0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.19 2pg4 h LYS 44 CO -0.10 -0.12 0.37 1.15 -2.81 0.00 0.00 179.45 177.95 2pg4 h THR 45 N -0.22 0.73 0.61 1.00 2.02 -1.93 -3.19 112.91 111.94 2pg4 h THR 45 Ca -0.02 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 2pg4 h THR 45 Cb 0.17 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2pg4 h THR 45 CO 0.03 0.10 -0.30 0.15 0.37 0.00 0.00 175.52 175.88 2pg4 h PHE 46 N 0.56 -0.77 -0.13 3.16 3.57 -0.76 -2.17 116.94 120.41 2pg4 h PHE 46 Ca 0.42 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.74 2pg4 h PHE 46 Cb 0.58 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 2pg4 h PHE 46 CO -0.12 -0.44 -0.15 1.19 -2.23 0.00 0.00 178.31 176.56 2pg4 n PHE 47 N -5.41 0.24 -0.34 0.41 3.72 -0.18 -2.18 117.46 113.72 2pg4 n PHE 47 Ca -0.13 -1.41 0.03 0.00 -0.05 0.00 0.00 57.45 55.89 2pg4 n PHE 47 Cb 0.35 -1.20 0.20 0.00 -0.94 0.00 0.00 39.48 37.89 2pg4 n PHE 47 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2pg4 h GLY 49 N 4.13 1.43 0.94 1.37 0.00 -1.80 -3.49 103.07 105.64 2pg4 h GLY 49 Ca 0.16 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2pg4 h GLY 49 CO 0.25 0.34 -0.08 -2.00 0.00 0.00 0.00 176.54 175.04 2pg4 h LEU 50 N 1.13 -0.21 -0.56 3.11 5.85 -1.14 -2.33 115.31 121.16 2pg4 h LEU 50 Ca 0.41 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.24 2pg4 h LEU 50 Cb 0.15 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2pg4 h LEU 50 CO -0.15 -0.14 -0.33 0.50 -0.34 0.00 0.00 178.44 177.98 2pg4 h LYS 51 N -0.21 -0.17 0.00 1.25 3.64 -1.69 -1.04 116.57 118.35 2pg4 h LYS 51 Ca -0.01 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2pg4 h LYS 51 Cb 0.18 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2pg4 h LYS 51 CO 0.00 -0.11 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.37 2pg4 h ASP 52 N -0.17 0.00 -0.04 4.20 3.32 -1.78 -1.79 116.42 120.16 2pg4 h ASP 52 Ca 0.22 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2pg4 h ASP 52 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2pg4 h ASP 52 CO -0.65 0.26 -0.47 0.03 -1.72 0.00 0.00 179.24 176.69 2pg4 h ARG 53 N 0.00 0.60 -0.38 3.56 3.08 -0.71 0.08 114.38 120.60 2pg4 h ARG 53 Ca -0.00 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 2pg4 h ARG 53 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2pg4 h ARG 53 CO 0.03 0.94 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.54 2pg4 h LEU 54 N 0.48 0.82 0.22 3.04 3.38 -0.78 -0.20 115.31 122.27 2pg4 h LEU 54 Ca 0.03 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2pg4 h LEU 54 Cb 1.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pg4 h LEU 54 CO 0.09 1.04 -0.11 0.40 0.09 0.00 0.00 178.44 179.96 2pg4 h ILE 55 N 0.68 0.83 -0.52 1.22 2.04 -1.20 -2.33 117.51 118.24 2pg4 h ILE 55 Ca 0.09 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.78 2pg4 h ILE 55 Cb 0.79 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 2pg4 h ILE 55 CO 0.07 0.06 0.01 0.03 0.00 0.00 0.00 178.15 178.31 2pg4 h ARG 56 N -0.43 0.12 0.00 2.37 3.08 -0.90 -1.67 114.38 116.95 2pg4 h ARG 56 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2pg4 h ARG 56 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2pg4 h ARG 56 CO 0.05 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 2pg4 n ALA 57 N -2.69 2.03 -1.18 0.04 0.00 -0.09 -4.85 120.51 113.77 2pg4 n ALA 57 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2pg4 n ALA 57 Cb 0.28 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 2pg4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pg4 n GLY 58 N -0.10 0.52 0.07 0.00 0.00 -0.63 -4.55 105.19 100.49 2pg4 n GLY 58 Ca 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 2pg4 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pg4 n LEU 59 N -0.26 0.20 -3.76 0.99 4.77 -0.88 -4.36 117.00 113.69 2pg4 n LEU 59 Ca -0.02 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2pg4 n LEU 59 Cb 0.13 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2pg4 n LEU 59 CO 0.03 0.25 0.01 0.68 -1.33 0.00 0.00 177.39 177.03 2pg4 s VAL 60 N -2.94 0.11 0.00 4.08 -7.23 -1.21 -2.47 120.40 110.75 2pg4 s VAL 60 Ca -0.08 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 2pg4 s VAL 60 Cb 0.09 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 2pg4 s VAL 60 CO 0.85 -0.51 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.26 2pg4 s LYS 61 N -3.79 1.00 0.01 4.82 2.47 0.55 -4.32 119.74 120.48 2pg4 s LYS 61 Ca 0.04 -0.53 -0.22 0.00 -1.56 0.00 0.00 55.97 53.71 2pg4 s LYS 61 Cb 0.03 -0.97 -0.05 0.00 -1.46 0.00 0.00 37.83 35.38 2pg4 s LYS 61 CO -0.11 0.26 0.64 -2.00 0.16 0.00 0.00 175.35 174.30 2pg4 s GLU 62 N -0.50 4.36 0.08 4.03 2.12 -1.26 0.07 118.70 127.59 2pg4 s GLU 62 Ca 0.04 0.82 0.03 0.00 0.36 0.00 0.00 54.97 56.22 2pg4 s GLU 62 Cb -0.06 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2pg4 s GLU 62 CO -0.00 0.37 -0.09 -1.21 -0.54 0.00 0.00 175.26 173.79 2pg4 s GLU 63 N -0.22 0.75 0.07 4.30 2.02 -0.60 -4.96 118.70 120.05 2pg4 s GLU 63 Ca 0.33 -1.06 -0.31 0.00 0.02 0.00 0.00 54.97 53.95 2pg4 s GLU 63 Cb -0.19 -0.41 -0.07 0.00 0.10 0.00 0.00 34.13 33.57 2pg4 s GLU 63 CO 0.19 0.06 1.32 0.99 0.02 0.00 0.00 175.26 177.83 2pg4 s THR 64 N -2.30 3.66 -0.10 3.63 2.01 -1.26 -0.65 115.64 120.62 2pg4 s THR 64 Ca 0.02 1.17 -0.07 0.00 0.31 0.00 0.00 61.69 63.11 2pg4 s THR 64 Cb -0.04 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2pg4 s THR 64 CO -0.01 0.07 -0.14 -0.11 -0.69 0.00 0.00 174.62 173.74 2pg4 n LEU 65 N 4.19 1.19 0.00 4.42 7.94 0.17 -4.85 117.00 130.06 2pg4 n LEU 65 Ca 0.11 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 2pg4 n LEU 65 Cb 0.44 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.67 2pg4 n LEU 65 CO 0.57 -0.45 0.00 -1.54 -1.11 0.00 0.00 177.39 174.86 2pg4 n SER 66 N -3.78 0.00 -4.69 1.96 3.41 -0.84 -5.02 113.62 104.67 2pg4 n SER 66 Ca -0.06 -0.73 -0.50 0.00 -0.26 0.00 0.00 58.87 57.32 2pg4 n SER 66 Cb 0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2pg4 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pg4 n TYR 67 N 0.00 2.27 -0.95 7.33 9.36 -1.26 -1.74 117.16 132.17 2pg4 n TYR 67 Ca 0.00 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.33 2pg4 n TYR 67 Cb 0.00 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.09 2pg4 n TYR 67 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2pg4 n ARG 68 N 6.38 -0.12 -4.04 2.98 5.12 -1.26 -4.98 116.66 120.75 2pg4 n ARG 68 Ca 0.23 0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 55.94 2pg4 n ARG 68 Cb 0.26 -3.00 -0.17 0.00 -1.16 0.00 0.00 32.46 28.39 2pg4 n ARG 68 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pg4 s VAL 69 N -2.91 0.86 0.23 1.55 1.01 -0.71 -5.09 120.40 115.34 2pg4 s VAL 69 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2pg4 s VAL 69 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2pg4 s VAL 69 CO 0.00 0.33 0.03 -0.54 0.00 0.00 0.00 175.10 174.91 2pg4 s LYS 70 N 1.46 2.42 0.24 2.72 -0.14 -1.26 0.42 119.74 125.59 2pg4 s LYS 70 Ca -0.01 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.36 2pg4 s LYS 70 Cb -0.13 -2.28 -0.05 0.00 -1.68 0.00 0.00 37.83 33.69 2pg4 s LYS 70 CO -0.04 0.40 0.05 -0.08 -0.76 0.00 0.00 175.35 174.91 2pg4 s THR 71 N -2.11 0.75 -0.12 2.17 -1.32 0.17 -1.81 115.64 113.39 2pg4 s THR 71 Ca 0.30 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.77 2pg4 s THR 71 Cb -0.08 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2pg4 s THR 71 CO 0.20 -0.20 -0.06 -0.76 -2.21 0.00 0.00 174.62 171.59 2pg4 s LEU 72 N -3.29 3.16 -0.16 9.08 1.43 -1.26 -1.56 118.68 126.07 2pg4 s LEU 72 Ca 0.32 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2pg4 s LEU 72 Cb 0.07 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2pg4 s LEU 72 CO 0.10 0.25 0.00 -0.54 0.23 0.00 0.00 176.35 176.40 2pg4 s LYS 73 N -0.14 3.72 0.44 1.70 -0.14 0.11 -4.91 119.74 120.53 2pg4 s LYS 73 Ca 0.02 -0.44 -0.25 0.00 -1.36 0.00 0.00 55.97 53.93 2pg4 s LYS 73 Cb -0.13 -3.01 -0.08 0.00 -1.68 0.00 0.00 37.83 32.92 2pg4 s LYS 73 CO 0.03 0.30 1.42 -0.51 -0.76 0.00 0.00 175.35 175.83 2pg4 s LEU 74 N 0.24 4.13 0.67 3.17 1.43 -1.26 -0.33 118.68 126.72 2pg4 s LEU 74 Ca 0.00 2.90 -0.04 0.00 -1.03 0.00 0.00 54.13 55.96 2pg4 s LEU 74 Cb -0.13 -3.92 0.06 0.00 0.03 0.00 0.00 46.19 42.23 2pg4 s LEU 74 CO 0.02 -1.13 0.95 0.42 0.23 0.00 0.00 176.35 176.84 2pg4 s THR 75 N -1.20 2.37 0.17 5.49 -4.23 -1.03 -4.81 115.64 112.39 2pg4 s THR 75 Ca 0.60 -0.39 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 2pg4 s THR 75 Cb -0.43 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.48 2pg4 s THR 75 CO 0.56 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.33 2pg4 h GLU 76 N -0.43 0.37 -0.95 3.99 4.81 -1.91 0.68 114.58 121.14 2pg4 h GLU 76 Ca -0.43 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2pg4 h GLU 76 Cb 1.31 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 2pg4 h GLU 76 CO 0.56 0.24 0.62 -0.22 -0.73 0.00 0.00 179.01 179.48 2pg4 h LYS 77 N 0.38 1.15 -0.44 1.92 3.64 -1.92 0.25 116.57 121.55 2pg4 h LYS 77 Ca 0.19 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2pg4 h LYS 77 Cb 0.14 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2pg4 h LYS 77 CO -0.16 0.76 -0.15 0.78 -2.27 0.00 0.00 179.45 178.41 2pg4 h GLY 78 N 1.18 0.89 1.18 5.01 0.00 -1.55 -1.64 103.07 108.15 2pg4 h GLY 78 Ca 0.38 -0.71 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 2pg4 h GLY 78 CO -0.13 0.65 -0.56 -0.09 0.00 0.00 0.00 176.54 176.41 2pg4 h ARG 79 N 0.73 0.85 -0.48 4.80 2.43 -0.43 0.52 114.38 122.80 2pg4 h ARG 79 Ca 0.11 -0.55 0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2pg4 h ARG 79 Cb 0.66 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2pg4 h ARG 79 CO 0.05 1.18 0.31 0.00 -1.51 0.00 0.00 179.97 180.00 2pg4 h ARG 80 N 0.65 0.62 -0.29 0.20 3.08 -0.46 -2.56 114.38 115.62 2pg4 h ARG 80 Ca 0.01 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2pg4 h ARG 80 Cb 1.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2pg4 h ARG 80 CO 0.12 0.41 -0.10 1.25 -1.07 0.00 0.00 179.97 180.58 2pg4 h LEU 81 N 0.64 0.59 -0.77 3.04 5.85 -1.27 -2.88 115.31 120.51 2pg4 h LEU 81 Ca 0.18 -0.39 0.18 0.00 0.84 0.00 0.00 57.88 58.69 2pg4 h LEU 81 Cb -0.07 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 40.67 2pg4 h LEU 81 CO -0.04 0.84 0.04 0.00 -0.34 0.00 0.00 178.44 178.94 2pg4 h ALA 82 N 0.77 0.85 -0.63 1.25 0.00 -0.82 0.24 119.26 120.92 2pg4 h ALA 82 Ca 0.07 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2pg4 h ALA 82 Cb 0.60 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2pg4 h ALA 82 CO 0.04 -0.42 0.24 0.93 0.00 0.00 0.00 179.25 180.03 2pg4 h GLU 83 N 0.12 0.94 -0.59 0.00 4.39 -1.41 -1.61 114.58 116.43 2pg4 h GLU 83 Ca 0.43 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2pg4 h GLU 83 Cb 0.77 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2pg4 h GLU 83 CO -0.66 0.81 0.22 0.00 -1.16 0.00 0.00 179.01 178.22 2pg4 h LEU 85 N 0.83 0.00 -0.56 0.00 3.38 -0.19 -2.74 115.31 116.02 2pg4 h LEU 85 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 2pg4 h LEU 85 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pg4 h LEU 85 CO -0.01 0.00 -0.57 -0.33 0.09 0.00 0.00 178.44 177.62 2pg4 h GLU 86 N 0.00 0.46 -0.01 1.13 4.39 -0.95 -2.37 114.58 117.23 2pg4 h GLU 86 Ca 0.00 -0.30 -0.24 0.00 0.34 0.00 0.00 59.36 59.17 2pg4 h GLU 86 Cb 0.27 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2pg4 h GLU 86 CO 0.00 0.90 -0.95 0.87 -1.16 0.00 0.00 179.01 178.67 2pg4 h LYS 87 N 0.35 0.51 -0.67 2.33 1.79 -1.55 -2.90 116.57 116.43 2pg4 h LYS 87 Ca 0.00 -0.54 0.08 0.00 -2.18 0.00 0.00 60.65 58.02 2pg4 h LYS 87 Cb 1.10 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.83 2pg4 h LYS 87 CO 0.10 1.17 0.33 0.00 -1.08 0.00 0.00 179.45 179.97 2pg4 h ARG 89 N 0.58 1.16 0.17 0.00 3.08 -1.24 -1.94 114.38 116.20 2pg4 h ARG 89 Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2pg4 h ARG 89 Cb 0.31 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2pg4 h ARG 89 CO -0.25 0.77 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.81 2pg4 h ASP 90 N 1.19 -0.45 -0.32 7.04 3.32 -1.20 -2.84 116.42 123.16 2pg4 h ASP 90 Ca 0.39 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.55 2pg4 h ASP 90 Cb 0.04 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 2pg4 h ASP 90 CO -0.12 -0.26 -0.26 0.58 -1.72 0.00 0.00 179.24 177.46 2pg4 h VAL 91 N -0.37 0.34 0.00 -1.35 2.07 -1.16 -3.52 116.25 112.26 2pg4 h VAL 91 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pg4 h VAL 91 Cb 0.35 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2pg4 h VAL 91 CO -0.04 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.73