#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n ALA 3 N 0.00 1.72 -1.97 6.98 0.00 -1.26 -4.98 120.51 120.99 3ag3 n ALA 3 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 3ag3 n ALA 3 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 3ag3 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ag3 s LEU 4 N 2.19 4.51 0.53 0.00 1.43 -1.26 -5.05 118.68 121.03 3ag3 s LEU 4 Ca 0.82 2.14 -0.15 0.00 -1.03 0.00 0.00 54.13 55.91 3ag3 s LEU 4 Cb -0.59 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 3ag3 s LEU 4 CO 0.40 -0.20 0.97 0.00 0.23 0.00 0.00 176.35 177.75 3ag3 s ALA 5 N -0.50 3.11 -0.02 4.21 0.00 -1.26 -4.99 121.76 122.31 3ag3 s ALA 5 Ca 0.48 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 3ag3 s ALA 5 Cb -0.30 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3ag3 s ALA 5 CO 0.36 -0.31 1.93 0.21 0.00 0.00 0.00 175.76 177.96 3ag3 s LYS 6 N -4.28 4.01 0.68 0.00 2.20 -1.26 -5.00 119.74 116.08 3ag3 s LYS 6 Ca 0.57 2.43 -0.11 0.00 -0.36 0.00 0.00 55.97 58.50 3ag3 s LYS 6 Cb -0.10 -4.15 -0.00 0.00 -1.51 0.00 0.00 37.83 32.06 3ag3 s LYS 6 CO 0.36 -1.09 1.08 -1.25 -0.36 0.00 0.00 175.35 174.09 3ag3 s PRO 7 N 4.63 3.07 0.04 4.03 0.04 -1.26 -5.01 135.00 140.53 3ag3 s PRO 7 Ca 0.87 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 3ag3 s PRO 7 Cb -0.39 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 3ag3 s PRO 7 CO 0.38 -0.90 1.19 -1.14 0.04 0.00 0.00 177.00 176.58 3ag3 s GLN 8 N -5.30 4.42 0.00 4.56 -0.44 -1.26 -4.86 119.66 116.78 3ag3 s GLN 8 Ca 0.57 1.74 0.00 0.00 -2.50 0.00 0.00 55.36 55.17 3ag3 s GLN 8 Cb -0.11 -3.39 0.00 0.00 -1.64 0.00 0.00 33.01 27.87 3ag3 s GLN 8 CO 0.52 -0.28 0.28 -1.33 0.50 0.00 0.00 175.29 174.98 3ag3 n MET 9 N 4.17 1.59 -4.17 1.67 2.81 -1.26 -4.99 117.12 116.94 3ag3 n MET 9 Ca 0.09 -0.28 -0.30 0.00 -1.81 0.00 0.00 57.70 55.40 3ag3 n MET 9 Cb 0.46 -0.76 -0.09 0.00 -0.71 0.00 0.00 33.22 32.13 3ag3 n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ag3 s ARG 10 N -0.31 2.38 -1.57 0.03 0.52 -1.26 -4.70 118.95 114.03 3ag3 s ARG 10 Ca 0.00 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 3ag3 s ARG 10 Cb 0.00 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3ag3 s ARG 10 CO 0.00 0.53 0.24 0.41 0.02 0.00 0.00 175.30 176.50 3ag3 n GLY 11 N 0.62 -0.43 0.29 -3.53 0.00 -1.26 -4.93 105.19 95.94 3ag3 n GLY 11 Ca -0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 3ag3 n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ag3 h LEU 12 N -0.55 0.89 -0.37 0.99 3.38 -1.94 0.16 115.31 117.87 3ag3 h LEU 12 Ca -0.48 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 3ag3 h LEU 12 Cb 1.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3ag3 h LEU 12 CO 0.54 0.99 -0.04 0.25 0.09 0.00 0.00 178.44 180.27 3ag3 h LEU 13 N 0.82 0.68 -0.52 1.67 5.85 -1.99 -1.67 115.31 120.14 3ag3 h LEU 13 Ca 0.14 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3ag3 h LEU 13 Cb 0.58 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3ag3 h LEU 13 CO 0.04 0.85 0.09 0.00 -0.34 0.00 0.00 178.44 179.08 3ag3 h ALA 14 N 0.85 0.69 -0.42 1.25 0.00 -1.91 0.13 119.26 119.85 3ag3 h ALA 14 Ca 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ag3 h ALA 14 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ag3 h ALA 14 CO 0.03 0.42 0.16 -0.09 0.00 0.00 0.00 179.25 179.77 3ag3 h ARG 15 N 0.74 0.64 -0.65 0.00 2.43 -0.66 -0.96 114.38 115.92 3ag3 h ARG 15 Ca 0.16 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3ag3 h ARG 15 Cb 0.39 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3ag3 h ARG 15 CO 0.01 0.60 0.40 -0.09 -1.51 0.00 0.00 179.97 179.38 3ag3 h ARG 16 N 0.54 0.76 -0.39 0.20 2.43 -0.91 -1.69 114.38 115.33 3ag3 h ARG 16 Ca 0.14 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3ag3 h ARG 16 Cb 0.20 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3ag3 h ARG 16 CO -0.01 0.50 0.19 1.25 -1.51 0.00 0.00 179.97 180.39 3ag3 h LEU 17 N 0.78 0.28 0.05 3.80 5.85 -0.52 -2.25 115.31 123.30 3ag3 h LEU 17 Ca 0.27 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3ag3 h LEU 17 Cb 0.03 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3ag3 h LEU 17 CO -0.11 0.20 -0.05 0.03 -0.34 0.00 0.00 178.44 178.18 3ag3 h ARG 18 N 0.39 -0.10 -0.42 1.25 3.08 -0.97 -0.71 114.38 116.89 3ag3 h ARG 18 Ca 0.17 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.30 3ag3 h ARG 18 Cb 0.08 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 3ag3 h ARG 18 CO -0.12 -0.07 0.01 0.35 -1.07 0.00 0.00 179.97 179.07 3ag3 h PHE 19 N -0.10 -0.01 0.00 3.04 3.04 -1.20 -1.45 116.94 120.26 3ag3 h PHE 19 Ca 0.00 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.86 3ag3 h PHE 19 Cb 0.10 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 3ag3 h PHE 19 CO -0.09 -0.08 -0.58 0.45 -2.02 0.00 0.00 178.31 175.98 3ag3 h HIS 20 N 0.12 0.00 -0.05 0.41 3.86 -1.06 -1.11 115.15 117.32 3ag3 h HIS 20 Ca 0.21 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.20 3ag3 h HIS 20 Cb 0.30 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.78 3ag3 h HIS 20 CO -0.27 0.58 -0.84 0.82 0.86 0.00 0.00 177.93 179.08 3ag3 h ILE 21 N 0.00 1.32 -0.29 2.45 1.08 -0.90 0.16 117.51 121.33 3ag3 h ILE 21 Ca -0.01 -2.10 -0.01 0.00 -0.39 0.00 0.00 64.86 62.35 3ag3 h ILE 21 Cb 1.25 2.31 -0.01 0.00 -3.07 0.00 0.00 36.82 37.30 3ag3 h ILE 21 CO 0.08 0.65 0.14 0.58 -0.69 0.00 0.00 178.15 178.91 3ag3 h VAL 22 N 0.30 1.14 -0.54 1.67 2.07 -1.21 -0.86 116.25 118.82 3ag3 h VAL 22 Ca -0.09 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.13 3ag3 h VAL 22 Cb 1.50 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 3ag3 h VAL 22 CO 0.17 0.15 0.03 1.23 0.02 0.00 0.00 177.57 179.16 3ag3 h GLY 23 N 0.34 0.59 1.01 2.17 0.00 -1.04 -0.34 103.07 105.81 3ag3 h GLY 23 Ca 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3ag3 h GLY 23 CO -0.01 -0.14 0.21 0.00 0.00 0.00 0.00 176.54 176.59 3ag3 h ALA 24 N 1.47 0.82 -0.57 3.60 0.00 -0.21 -0.03 119.26 124.34 3ag3 h ALA 24 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ag3 h ALA 24 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ag3 h ALA 24 CO -0.43 0.47 0.33 0.35 0.00 0.00 0.00 179.25 179.98 3ag3 h PHE 25 N 0.89 0.76 -0.29 0.00 3.57 -0.79 0.91 116.94 121.99 3ag3 h PHE 25 Ca 0.20 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3ag3 h PHE 25 Cb 0.27 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3ag3 h PHE 25 CO 0.02 0.53 0.05 0.52 -2.23 0.00 0.00 178.31 177.19 3ag3 h MET 26 N 0.77 0.15 -0.87 1.11 2.86 -0.07 -1.64 114.93 117.23 3ag3 h MET 26 Ca 0.20 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3ag3 h MET 26 Cb -0.00 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 3ag3 h MET 26 CO -0.04 0.10 0.56 0.28 1.06 0.00 0.00 176.91 178.87 3ag3 h VAL 27 N 0.15 1.13 -0.23 -2.22 2.07 -0.87 -2.36 116.25 113.93 3ag3 h VAL 27 Ca 0.13 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3ag3 h VAL 27 Cb 0.15 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 3ag3 h VAL 27 CO -0.18 0.20 -0.07 0.28 0.02 0.00 0.00 177.57 177.82 3ag3 h SER 28 N 1.08 -0.25 -0.43 0.57 0.02 -0.05 0.18 113.55 114.68 3ag3 h SER 28 Ca 0.35 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.40 3ag3 h SER 28 Cb 0.02 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3ag3 h SER 28 CO -0.12 -0.09 0.24 -0.07 -1.14 0.00 0.00 176.83 175.65 3ag3 h LEU 29 N -0.02 0.38 -0.39 5.07 4.07 -1.16 0.14 115.31 123.41 3ag3 h LEU 29 Ca 0.12 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.10 3ag3 h LEU 29 Cb 0.19 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 3ag3 h LEU 29 CO -0.25 0.27 0.24 1.23 -1.08 0.00 0.00 178.44 178.85 3ag3 h GLY 30 N 0.49 0.54 0.90 0.83 0.00 -1.04 -0.18 103.07 104.61 3ag3 h GLY 30 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ag3 h GLY 30 CO -0.09 0.17 -0.12 -2.75 0.00 0.00 0.00 176.54 173.75 3ag3 h PHE 31 N 0.49 -0.30 -0.48 5.60 3.04 -0.46 0.11 116.94 124.94 3ag3 h PHE 31 Ca 0.15 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.16 3ag3 h PHE 31 Cb -0.03 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.54 3ag3 h PHE 31 CO -0.06 -0.18 0.15 0.00 -2.02 0.00 0.00 178.31 176.20 3ag3 h ALA 32 N 0.55 0.57 -0.51 2.41 0.00 -0.35 0.35 119.26 122.28 3ag3 h ALA 32 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3ag3 h ALA 32 Cb 0.25 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3ag3 h ALA 32 CO -0.01 -0.25 0.22 1.15 0.00 0.00 0.00 179.25 180.37 3ag3 h THR 33 N 0.31 0.89 -0.99 0.00 2.02 -0.82 0.20 112.91 114.52 3ag3 h THR 33 Ca 0.23 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.33 3ag3 h THR 33 Cb 0.26 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 3ag3 h THR 33 CO -0.25 0.08 0.64 0.15 0.37 0.00 0.00 175.52 176.50 3ag3 h PHE 34 N 0.43 1.18 0.10 3.16 3.57 0.11 -2.91 116.94 122.58 3ag3 h PHE 34 Ca 0.23 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.50 3ag3 h PHE 34 Cb 0.20 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3ag3 h PHE 34 CO -0.13 0.62 -1.18 -0.92 -2.23 0.00 0.00 178.31 174.47 3ag3 h TYR 35 N 1.16 0.47 0.00 0.41 3.20 -0.07 0.39 116.97 122.53 3ag3 h TYR 35 Ca 0.42 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ag3 h TYR 35 Cb 0.15 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3ag3 h TYR 35 CO -0.01 1.24 0.00 1.63 -1.64 0.00 0.00 178.16 179.38 3ag3 n LYS 36 N -3.55 0.68 0.00 1.82 5.02 0.60 -1.21 118.16 121.52 3ag3 n LYS 36 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3ag3 n LYS 36 Cb 0.99 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 3ag3 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ag3 n PHE 37 N -0.15 -0.08 0.20 2.13 -0.00 -0.99 -3.47 117.46 115.10 3ag3 n PHE 37 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.53 3ag3 n PHE 37 Cb 0.09 0.32 0.37 0.00 -0.00 0.00 0.00 39.48 40.26 3ag3 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag3 h ALA 38 N 0.00 0.98 0.00 3.13 0.00 -0.22 -3.25 119.26 119.90 3ag3 h ALA 38 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ag3 h ALA 38 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ag3 h ALA 38 CO 0.00 0.37 0.00 0.28 0.00 0.00 0.00 179.25 179.90 3ag3 n VAL 39 N -3.42 1.06 -0.03 0.00 0.31 -0.35 -4.66 118.33 111.23 3ag3 n VAL 39 Ca 0.00 0.35 -0.12 0.00 -0.01 0.00 0.00 64.34 64.56 3ag3 n VAL 39 Cb 0.49 -1.43 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 3ag3 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag3 h ALA 40 N 0.00 -0.04 -0.62 3.52 0.00 -1.63 -0.24 119.26 120.26 3ag3 h ALA 40 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3ag3 h ALA 40 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ag3 h ALA 40 CO 0.00 -0.12 0.07 0.93 0.00 0.00 0.00 179.25 180.14 3ag3 h GLU 41 N -0.85 1.03 -0.65 0.00 4.39 -1.78 -2.15 114.58 114.56 3ag3 h GLU 41 Ca -0.00 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 3ag3 h GLU 41 Cb 0.72 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3ag3 h GLU 41 CO 0.01 0.96 0.30 -0.22 -1.16 0.00 0.00 179.01 178.90 3ag3 h LYS 42 N 0.96 0.95 -0.26 2.33 3.64 -1.56 -1.44 116.57 121.19 3ag3 h LYS 42 Ca 0.19 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3ag3 h LYS 42 Cb 0.45 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3ag3 h LYS 42 CO 0.02 0.77 0.15 -0.09 -2.27 0.00 0.00 179.45 178.03 3ag3 h ARG 43 N 0.90 0.31 -0.86 1.90 2.43 -0.90 0.86 114.38 119.02 3ag3 h ARG 43 Ca 0.22 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3ag3 h ARG 43 Cb 0.14 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3ag3 h ARG 43 CO -0.03 0.20 0.56 0.87 -1.51 0.00 0.00 179.97 180.07 3ag3 h LYS 44 N 0.31 1.08 -0.08 0.20 1.57 -1.14 -1.89 116.57 116.63 3ag3 h LYS 44 Ca 0.10 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 3ag3 h LYS 44 Cb -0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 3ag3 h LYS 44 CO -0.04 0.71 -0.73 -0.22 -0.57 0.00 0.00 179.45 178.60 3ag3 h LYS 45 N 1.11 0.42 -0.44 3.15 3.64 -1.12 -1.04 116.57 122.29 3ag3 h LYS 45 Ca 0.34 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ag3 h LYS 45 Cb -0.04 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3ag3 h LYS 45 CO -0.10 0.98 0.27 0.00 -2.27 0.00 0.00 179.45 178.33 3ag3 h ALA 46 N 0.92 0.56 -0.22 5.00 0.00 -0.28 0.02 119.26 125.27 3ag3 h ALA 46 Ca -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ag3 h ALA 46 Cb 1.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ag3 h ALA 46 CO 0.13 0.05 -0.00 1.88 0.00 0.00 0.00 179.25 181.30 3ag3 h TYR 47 N 0.58 0.42 -0.51 0.00 -1.99 -1.29 -1.50 116.97 112.67 3ag3 h TYR 47 Ca 0.16 -0.07 0.06 0.00 2.00 0.00 0.00 58.73 60.87 3ag3 h TYR 47 Cb -0.01 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 38.57 3ag3 h TYR 47 CO -0.03 0.57 0.23 0.00 -0.00 0.00 0.00 178.16 178.92 3ag3 h ALA 48 N 0.79 0.65 -0.18 3.88 0.00 -1.04 -1.78 119.26 121.58 3ag3 h ALA 48 Ca 0.06 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3ag3 h ALA 48 Cb 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ag3 h ALA 48 CO 0.01 -0.14 -0.60 -0.44 0.00 0.00 0.00 179.25 178.08 3ag3 h ASP 49 N 0.44 0.84 -0.48 0.00 3.45 -0.96 -0.64 116.42 119.07 3ag3 h ASP 49 Ca 0.24 -0.59 0.04 0.00 0.43 0.00 0.00 57.03 57.14 3ag3 h ASP 49 Cb 0.20 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.68 3ag3 h ASP 49 CO -0.20 1.29 0.24 0.15 -1.57 0.00 0.00 179.24 179.15 3ag3 h PHE 50 N 0.44 0.44 -0.00 4.55 3.57 -1.03 -2.22 116.94 122.69 3ag3 h PHE 50 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ag3 h PHE 50 Cb 1.22 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3ag3 h PHE 50 CO 0.09 0.22 -0.34 0.66 -2.23 0.00 0.00 178.31 176.71 3ag3 n TYR 51 N -4.90 0.00 -0.23 0.41 4.02 -0.69 -3.90 117.16 111.88 3ag3 n TYR 51 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.91 3ag3 n TYR 51 Cb 0.13 -0.29 0.09 0.00 -0.02 0.00 0.00 39.34 39.24 3ag3 n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ag3 h ARG 52 N 0.12 0.68 -0.06 -0.72 2.43 -0.46 -2.77 114.38 113.60 3ag3 h ARG 52 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3ag3 h ARG 52 Cb 0.49 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3ag3 h ARG 52 CO 0.00 0.45 -0.29 0.09 -1.51 0.00 0.00 179.97 178.71 3ag3 n ASN 53 N -4.78 2.08 -4.73 -3.80 3.02 -1.26 -5.06 115.26 100.74 3ag3 n ASN 53 Ca 0.08 -3.65 -0.42 0.00 -0.03 0.00 0.00 54.58 50.57 3ag3 n ASN 53 Cb 0.16 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 3ag3 n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ag3 s TYR 54 N -3.13 3.35 -0.35 3.10 5.04 -1.05 -4.98 117.35 119.33 3ag3 s TYR 54 Ca 0.38 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 56.28 3ag3 s TYR 54 Cb 0.35 -3.52 0.10 0.00 0.35 0.00 0.00 41.96 39.24 3ag3 s TYR 54 CO -0.03 -1.61 0.08 0.34 -1.34 0.00 0.00 175.55 172.98 3ag3 s ASP 55 N 0.60 4.88 0.33 4.32 -1.08 -1.26 -4.98 116.67 119.48 3ag3 s ASP 55 Ca 0.57 -2.02 0.09 0.00 -0.52 0.00 0.00 52.55 50.67 3ag3 s ASP 55 Cb -0.34 -1.68 0.57 0.00 -1.46 0.00 0.00 42.92 40.02 3ag3 s ASP 55 CO 0.34 -0.40 1.76 0.77 0.52 0.00 0.00 175.17 178.16 3ag3 h SER 56 N 7.76 0.17 -0.43 -0.34 4.64 -1.99 -0.94 113.55 122.43 3ag3 h SER 56 Ca -0.08 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 3ag3 h SER 56 Cb 1.03 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3ag3 h SER 56 CO 0.56 0.53 -0.19 0.24 -0.87 0.00 0.00 176.83 177.10 3ag3 h MET 57 N 0.15 0.93 -0.49 4.77 2.86 -1.99 -0.80 114.93 120.36 3ag3 h MET 57 Ca 0.02 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 3ag3 h MET 57 Cb 0.71 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3ag3 h MET 57 CO 0.05 1.03 0.10 -0.22 1.06 0.00 0.00 176.91 178.93 3ag3 h LYS 58 N 0.81 0.79 -0.54 1.72 3.64 -1.92 0.24 116.57 121.31 3ag3 h LYS 58 Ca 0.11 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3ag3 h LYS 58 Cb 0.74 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3ag3 h LYS 58 CO 0.06 0.78 0.34 0.22 -2.27 0.00 0.00 179.45 178.58 3ag3 h ASP 59 N 0.67 0.55 -0.33 4.20 -0.00 -0.98 -1.42 116.42 119.11 3ag3 h ASP 59 Ca 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 3ag3 h ASP 59 Cb 0.36 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.55 3ag3 h ASP 59 CO 0.01 0.39 0.22 0.15 -0.00 0.00 0.00 179.24 180.01 3ag3 h PHE 60 N 0.67 0.42 -0.59 0.28 3.04 -0.83 -1.70 116.94 118.24 3ag3 h PHE 60 Ca 0.21 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 3ag3 h PHE 60 Cb -0.01 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 3ag3 h PHE 60 CO -0.05 0.27 0.21 1.49 -2.02 0.00 0.00 178.31 178.20 3ag3 h GLU 61 N 0.45 0.90 -0.60 1.11 4.57 -0.05 0.44 114.58 121.40 3ag3 h GLU 61 Ca 0.12 -0.18 0.11 0.00 -1.18 0.00 0.00 59.36 58.23 3ag3 h GLU 61 Cb -0.05 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.32 3ag3 h GLU 61 CO -0.03 0.79 0.17 0.93 -1.18 0.00 0.00 179.01 179.70 3ag3 h GLU 62 N 0.82 0.31 -0.35 1.92 5.08 -1.15 0.27 114.58 121.49 3ag3 h GLU 62 Ca 0.19 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 3ag3 h GLU 62 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ag3 h GLU 62 CO -0.01 0.21 -0.45 0.52 -1.00 0.00 0.00 179.01 178.27 3ag3 h MET 63 N 0.32 0.92 -0.30 2.33 2.86 -0.46 -2.21 114.93 118.40 3ag3 h MET 63 Ca 0.31 -0.53 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3ag3 h MET 63 Cb 0.44 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3ag3 h MET 63 CO -0.36 1.18 0.14 -0.09 1.06 0.00 0.00 176.91 178.84 3ag3 h ARG 64 N 0.73 0.29 -0.36 1.72 2.43 0.40 -2.53 114.38 117.06 3ag3 h ARG 64 Ca 0.04 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3ag3 h ARG 64 Cb 1.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 3ag3 h ARG 64 CO 0.11 0.19 0.15 0.87 -1.51 0.00 0.00 179.97 179.78 3ag3 h LYS 65 N 0.30 0.50 0.00 0.20 1.57 -0.41 -1.12 116.57 117.60 3ag3 h LYS 65 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ag3 h LYS 65 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ag3 h LYS 65 CO -0.09 0.41 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 3ag3 n ALA 66 N -2.48 2.10 -0.78 3.86 0.00 -0.84 -4.89 120.51 117.48 3ag3 n ALA 66 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ag3 n ALA 66 Cb 0.13 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3ag3 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag3 n GLY 67 N 0.65 0.90 0.16 0.00 0.00 -0.42 -5.00 105.19 101.48 3ag3 n GLY 67 Ca 0.09 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.64 3ag3 n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ag3 h ILE 68 N 0.00 0.46 -3.26 -0.61 3.07 -1.66 -3.46 117.51 112.06 3ag3 h ILE 68 Ca 0.00 -1.68 -0.57 0.00 1.55 0.00 0.00 64.86 64.16 3ag3 h ILE 68 Cb 0.25 2.16 -0.05 0.00 -0.27 0.00 0.00 36.82 38.92 3ag3 h ILE 68 CO 0.00 0.26 -0.03 -0.36 -1.05 0.00 0.00 178.15 176.97 3ag3 s PHE 69 N -3.08 3.77 -0.01 0.16 0.40 -1.26 -4.98 117.98 112.98 3ag3 s PHE 69 Ca 0.04 1.25 0.11 0.00 -0.60 0.00 0.00 56.93 57.72 3ag3 s PHE 69 Cb 0.07 -2.53 -0.11 0.00 0.51 0.00 0.00 43.02 40.96 3ag3 s PHE 69 CO 0.73 0.51 1.26 -0.56 0.70 0.00 0.00 175.22 177.86 3ag3 h GLN 70 N 4.89 0.00 -0.02 0.44 3.07 -2.02 -3.34 115.11 118.14 3ag3 h GLN 70 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3ag3 h GLN 70 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 3ag3 h GLN 70 CO 0.65 0.73 -0.01 -1.13 0.09 0.00 0.00 178.83 179.17 3ag3 n SER 71 N -3.25 1.97 -3.13 0.06 3.41 -1.26 -4.62 113.62 106.80 3ag3 n SER 71 Ca -0.01 -1.65 -0.10 0.00 -0.26 0.00 0.00 58.87 56.85 3ag3 n SER 71 Cb 0.87 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 3ag3 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ag3 s ALA 72 N -2.01 -1.12 -2.00 7.33 0.00 -1.25 -5.27 121.76 117.44 3ag3 s ALA 72 Ca 0.34 -0.79 0.26 0.00 0.00 0.00 0.00 51.96 51.78 3ag3 s ALA 72 Cb 0.21 -2.35 1.54 0.00 0.00 0.00 0.00 23.12 22.51 3ag3 s ALA 72 CO 0.33 -2.17 1.90 1.63 0.00 0.00 0.00 175.76 177.45