#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 0.17 -2.37 2.41 0.00 -1.26 -5.02 120.51 114.44 3ag3 n ALA 3 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 3ag3 n ALA 3 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 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 -4.82 4.50 0.57 0.00 1.43 -1.26 -5.07 118.68 114.03 3ag3 s LEU 4 Ca 0.75 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 54.82 3ag3 s LEU 4 Cb -0.32 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3ag3 s LEU 4 CO 0.48 0.28 1.10 0.00 0.23 0.00 0.00 176.35 178.44 3ag3 s ALA 5 N -1.00 2.67 0.02 4.21 0.00 -1.26 -4.98 121.76 121.42 3ag3 s ALA 5 Ca 0.27 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3ag3 s ALA 5 Cb -0.18 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3ag3 s ALA 5 CO 0.17 -0.85 1.47 0.21 0.00 0.00 0.00 175.76 176.76 3ag3 s LYS 6 N -3.59 4.26 0.64 0.00 2.20 -1.26 -5.03 119.74 116.96 3ag3 s LYS 6 Ca 0.69 2.06 0.02 0.00 -0.36 0.00 0.00 55.97 58.39 3ag3 s LYS 6 Cb -0.21 -3.57 0.09 0.00 -1.51 0.00 0.00 37.83 32.63 3ag3 s LYS 6 CO 0.31 -0.61 0.88 -1.25 -0.36 0.00 0.00 175.35 174.32 3ag3 s PRO 7 N 2.43 2.06 0.12 4.03 0.04 -1.26 -5.03 135.00 137.39 3ag3 s PRO 7 Ca 0.66 -1.16 -0.31 0.00 0.04 0.00 0.00 61.00 60.24 3ag3 s PRO 7 Cb -0.34 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 3ag3 s PRO 7 CO 0.28 -1.10 1.29 -1.14 0.04 0.00 0.00 177.00 176.37 3ag3 s GLN 8 N -4.92 4.39 0.00 4.56 -0.44 -1.26 -4.87 119.66 117.13 3ag3 s GLN 8 Ca 0.63 1.96 0.00 0.00 -2.50 0.00 0.00 55.36 55.44 3ag3 s GLN 8 Cb -0.07 -3.26 0.00 0.00 -1.64 0.00 0.00 33.01 28.04 3ag3 s GLN 8 CO 0.41 -0.30 0.00 -1.33 0.50 0.00 0.00 175.29 174.57 3ag3 n MET 9 N 3.49 6.43 -4.66 1.67 2.81 -1.26 -5.02 117.12 120.57 3ag3 n MET 9 Ca 0.09 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.66 3ag3 n MET 9 Cb 0.44 -0.52 -0.12 0.00 -0.71 0.00 0.00 33.22 32.31 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 -1.03 2.32 -0.83 0.03 0.52 -1.26 -4.71 118.95 113.99 3ag3 s ARG 10 Ca 0.00 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3ag3 s ARG 10 Cb 0.00 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.15 3ag3 s ARG 10 CO 0.00 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.31 3ag3 n GLY 11 N 1.74 0.36 0.20 -3.53 0.00 -1.26 -4.89 105.19 97.80 3ag3 n GLY 11 Ca -0.16 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.37 -0.24 0.99 3.38 -1.96 -0.20 115.31 117.65 3ag3 h LEU 12 Ca -0.20 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3ag3 h LEU 12 Cb 0.97 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3ag3 h LEU 12 CO 0.26 0.80 -0.07 0.25 0.09 0.00 0.00 178.44 179.77 3ag3 h LEU 13 N 0.27 0.48 -0.74 1.67 5.85 -1.99 -2.05 115.31 118.80 3ag3 h LEU 13 Ca 0.01 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3ag3 h LEU 13 Cb 0.96 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3ag3 h LEU 13 CO 0.08 0.74 0.42 0.00 -0.34 0.00 0.00 178.44 179.34 3ag3 h ALA 14 N 0.75 0.95 -0.28 1.25 0.00 -1.91 -0.89 119.26 119.13 3ag3 h ALA 14 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ag3 h ALA 14 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ag3 h ALA 14 CO 0.03 0.45 0.14 -0.09 0.00 0.00 0.00 179.25 179.78 3ag3 h ARG 15 N 1.02 0.29 -0.72 0.00 1.12 -1.01 -0.99 114.38 114.09 3ag3 h ARG 15 Ca 0.26 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.12 3ag3 h ARG 15 Cb 0.02 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 29.88 3ag3 h ARG 15 CO -0.04 0.19 0.48 -0.09 -3.11 0.00 0.00 179.97 177.39 3ag3 h ARG 16 N 0.30 0.94 0.10 0.20 2.43 -1.12 -1.47 114.38 115.76 3ag3 h ARG 16 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3ag3 h ARG 16 Cb 0.03 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3ag3 h ARG 16 CO -0.08 0.62 -0.09 1.25 -1.51 0.00 0.00 179.97 180.16 3ag3 h LEU 17 N 0.97 -0.23 -0.55 3.80 5.85 -0.87 -1.83 115.31 122.45 3ag3 h LEU 17 Ca 0.27 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3ag3 h LEU 17 Cb -0.10 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3ag3 h LEU 17 CO -0.06 -0.14 0.22 -0.09 -0.34 0.00 0.00 178.44 178.03 3ag3 h ARG 18 N -0.20 0.81 -0.62 1.25 2.43 -1.03 0.12 114.38 117.14 3ag3 h ARG 18 Ca 0.00 -0.15 0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3ag3 h ARG 18 Cb 0.19 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 3ag3 h ARG 18 CO -0.02 0.71 0.27 0.35 -1.51 0.00 0.00 179.97 179.77 3ag3 h PHE 19 N 0.74 0.48 0.00 2.20 3.04 -1.13 -2.25 116.94 120.02 3ag3 h PHE 19 Ca 0.18 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 62.01 3ag3 h PHE 19 Cb 0.19 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 3ag3 h PHE 19 CO 0.01 0.16 -1.20 0.45 -2.02 0.00 0.00 178.31 175.71 3ag3 h HIS 20 N 0.49 0.00 -0.55 0.41 3.86 -0.76 -1.28 115.15 117.32 3ag3 h HIS 20 Ca 0.30 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 3ag3 h HIS 20 Cb 0.33 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3ag3 h HIS 20 CO -0.14 0.55 -0.03 0.82 0.86 0.00 0.00 177.93 179.99 3ag3 h ILE 21 N 0.00 1.27 -0.01 2.45 1.08 -0.90 0.18 117.51 121.58 3ag3 h ILE 21 Ca -0.12 -1.16 -0.00 0.00 -0.39 0.00 0.00 64.86 63.19 3ag3 h ILE 21 Cb 1.52 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.19 3ag3 h ILE 21 CO 0.05 0.41 0.01 0.58 -0.69 0.00 0.00 178.15 178.51 3ag3 h VAL 22 N 0.86 1.03 -0.44 1.67 2.07 -1.40 0.55 116.25 120.59 3ag3 h VAL 22 Ca 0.15 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.67 3ag3 h VAL 22 Cb 0.58 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3ag3 h VAL 22 CO 0.03 0.02 0.00 1.23 0.02 0.00 0.00 177.57 178.88 3ag3 h GLY 23 N -0.02 0.44 1.02 2.17 0.00 -1.13 -0.52 103.07 105.03 3ag3 h GLY 23 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3ag3 h GLY 23 CO -0.00 -0.11 0.25 0.00 0.00 0.00 0.00 176.54 176.68 3ag3 h ALA 24 N 1.39 0.87 -0.35 3.60 0.00 -0.26 -0.69 119.26 123.82 3ag3 h ALA 24 Ca 0.22 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3ag3 h ALA 24 Cb 0.31 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3ag3 h ALA 24 CO -0.36 0.50 -0.11 0.35 0.00 0.00 0.00 179.25 179.63 3ag3 h PHE 25 N 0.95 -0.26 -0.28 0.00 3.57 -0.54 0.78 116.94 121.17 3ag3 h PHE 25 Ca 0.22 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3ag3 h PHE 25 Cb 0.23 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3ag3 h PHE 25 CO 0.02 -0.18 -0.01 0.52 -2.23 0.00 0.00 178.31 176.42 3ag3 h MET 26 N -0.04 0.06 -0.97 1.11 2.86 -0.70 -0.95 114.93 116.30 3ag3 h MET 26 Ca 0.17 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3ag3 h MET 26 Cb 0.30 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 3ag3 h MET 26 CO -0.38 0.04 0.64 0.28 1.06 0.00 0.00 176.91 178.56 3ag3 h VAL 27 N 0.07 1.25 -0.38 -2.22 2.07 -0.96 0.38 116.25 116.46 3ag3 h VAL 27 Ca 0.13 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3ag3 h VAL 27 Cb 0.18 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 3ag3 h VAL 27 CO -0.24 0.24 0.23 0.28 0.02 0.00 0.00 177.57 178.10 3ag3 h SER 28 N 1.32 0.38 -0.48 0.57 0.02 -0.25 0.17 113.55 115.28 3ag3 h SER 28 Ca 0.36 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.35 3ag3 h SER 28 Cb -0.15 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 3ag3 h SER 28 CO -0.08 0.27 0.22 -0.07 -1.14 0.00 0.00 176.83 176.04 3ag3 h LEU 29 N 0.46 0.30 -0.10 5.07 4.07 -0.83 -0.61 115.31 123.68 3ag3 h LEU 29 Ca 0.15 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.18 3ag3 h LEU 29 Cb -0.01 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 3ag3 h LEU 29 CO -0.06 0.21 -0.21 1.23 -1.08 0.00 0.00 178.44 178.53 3ag3 h GLY 30 N 0.44 -0.21 1.01 0.83 0.00 -0.02 -2.41 103.07 102.71 3ag3 h GLY 30 Ca 0.21 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 3ag3 h GLY 30 CO -0.17 -0.18 0.30 -2.75 0.00 0.00 0.00 176.54 173.74 3ag3 h PHE 31 N -0.28 0.99 -0.98 5.60 3.04 -0.41 0.13 116.94 125.02 3ag3 h PHE 31 Ca 0.09 -0.06 0.11 0.00 3.98 0.00 0.00 57.97 62.09 3ag3 h PHE 31 Cb 0.41 -0.30 -0.08 0.00 2.56 0.00 0.00 35.95 38.54 3ag3 h PHE 31 CO -0.30 0.75 0.63 0.00 -2.02 0.00 0.00 178.31 177.37 3ag3 h ALA 32 N 1.13 1.54 0.07 2.41 0.00 -0.99 0.32 119.26 123.75 3ag3 h ALA 32 Ca 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ag3 h ALA 32 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ag3 h ALA 32 CO -0.02 0.23 -0.03 1.15 0.00 0.00 0.00 179.25 180.57 3ag3 h THR 33 N 0.99 1.24 -0.82 0.00 2.02 -0.88 -0.57 112.91 114.88 3ag3 h THR 33 Ca 0.48 -1.31 0.17 0.00 0.77 0.00 0.00 66.41 66.53 3ag3 h THR 33 Cb 0.46 2.06 -0.11 0.00 -1.74 0.00 0.00 68.15 68.82 3ag3 h THR 33 CO -0.24 0.31 0.33 0.15 0.37 0.00 0.00 175.52 176.44 3ag3 h PHE 34 N -0.70 0.56 -0.03 3.16 3.57 -0.76 -2.95 116.94 119.78 3ag3 h PHE 34 Ca -0.01 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.32 3ag3 h PHE 34 Cb 0.58 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 3ag3 h PHE 34 CO 0.12 0.01 -0.85 -0.92 -2.23 0.00 0.00 178.31 174.44 3ag3 h TYR 35 N 0.42 0.57 0.00 0.41 3.20 -0.09 0.55 116.97 122.04 3ag3 h TYR 35 Ca 0.48 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3ag3 h TYR 35 Cb 0.80 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.00 3ag3 h TYR 35 CO -0.16 1.08 0.00 0.87 -1.64 0.00 0.00 178.16 178.31 3ag3 h LYS 36 N 0.24 0.00 0.00 1.82 1.57 -0.96 -0.59 116.57 118.66 3ag3 h LYS 36 Ca -0.06 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.39 3ag3 h LYS 36 Cb 1.47 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.72 3ag3 h LYS 36 CO 0.15 0.00 -2.26 0.34 -0.57 0.00 0.00 179.45 177.10 3ag3 n PHE 37 N -3.06 0.00 0.34 -1.35 -0.00 -1.03 0.18 117.46 112.55 3ag3 n PHE 37 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 3ag3 n PHE 37 Cb 0.25 -0.85 0.32 0.00 -0.00 0.00 0.00 39.48 39.19 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 -0.02 1.00 0.00 3.13 0.00 0.19 -3.26 119.26 120.30 3ag3 h ALA 38 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ag3 h ALA 38 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3ag3 h ALA 38 CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.45 3ag3 n VAL 39 N -2.84 0.76 -0.05 0.00 0.31 -0.28 -4.70 118.33 111.53 3ag3 n VAL 39 Ca 0.04 0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 64.50 3ag3 n VAL 39 Cb 0.46 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.01 -0.55 3.52 0.00 -1.45 -1.74 119.26 119.02 3ag3 h ALA 40 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3ag3 h ALA 40 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ag3 h ALA 40 CO 0.00 -0.05 0.05 0.93 0.00 0.00 0.00 179.25 180.19 3ag3 h GLU 41 N -0.94 0.94 -0.89 0.00 4.39 -0.50 -2.03 114.58 115.55 3ag3 h GLU 41 Ca -0.00 -0.27 0.24 0.00 0.34 0.00 0.00 59.36 59.67 3ag3 h GLU 41 Cb 0.81 -0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.22 3ag3 h GLU 41 CO 0.00 0.92 0.23 -0.22 -1.16 0.00 0.00 179.01 178.79 3ag3 h LYS 42 N 0.82 0.18 -0.00 2.33 3.64 -1.59 0.33 116.57 122.28 3ag3 h LYS 42 Ca 0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ag3 h LYS 42 Cb 0.47 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ag3 h LYS 42 CO 0.02 0.12 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.23 3ag3 h ARG 43 N 0.19 0.00 -0.80 1.90 2.43 -0.96 0.04 114.38 117.18 3ag3 h ARG 43 Ca 0.57 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.82 3ag3 h ARG 43 Cb 1.17 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 3ag3 h ARG 43 CO -0.68 0.50 0.46 0.87 -1.51 0.00 0.00 179.97 179.61 3ag3 h LYS 44 N -0.49 0.77 -0.25 0.20 1.57 -1.03 -1.72 116.57 115.61 3ag3 h LYS 44 Ca 0.00 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3ag3 h LYS 44 Cb 0.50 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3ag3 h LYS 44 CO 0.00 0.51 -0.55 -0.22 -0.57 0.00 0.00 179.45 178.61 3ag3 h LYS 45 N 0.79 0.77 -0.02 3.15 3.64 -0.76 -1.00 116.57 123.13 3ag3 h LYS 45 Ca 0.38 -0.49 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3ag3 h LYS 45 Cb 0.31 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3ag3 h LYS 45 CO -0.23 1.12 -0.23 0.00 -2.27 0.00 0.00 179.45 177.84 3ag3 h ALA 46 N 0.78 -0.28 0.08 5.00 0.00 -0.63 0.69 119.26 124.90 3ag3 h ALA 46 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ag3 h ALA 46 Cb 1.14 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3ag3 h ALA 46 CO 0.12 -0.72 -0.04 1.88 0.00 0.00 0.00 179.25 180.49 3ag3 h TYR 47 N -0.35 -0.10 -0.68 0.00 -1.99 -1.26 -0.68 116.97 111.92 3ag3 h TYR 47 Ca 0.07 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.89 3ag3 h TYR 47 Cb 0.44 0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.13 3ag3 h TYR 47 CO -0.28 0.04 0.31 0.00 -0.00 0.00 0.00 178.16 178.23 3ag3 h ALA 48 N 0.68 0.92 -0.20 3.88 0.00 -1.13 -0.82 119.26 122.59 3ag3 h ALA 48 Ca -0.01 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3ag3 h ALA 48 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ag3 h ALA 48 CO 0.02 -0.10 -0.65 -0.44 0.00 0.00 0.00 179.25 178.07 3ag3 h ASP 49 N 0.53 0.87 -0.34 0.00 3.45 -0.78 -2.17 116.42 117.97 3ag3 h ASP 49 Ca 0.34 -0.51 0.03 0.00 0.43 0.00 0.00 57.03 57.32 3ag3 h ASP 49 Cb 0.39 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3ag3 h ASP 49 CO -0.29 1.30 0.14 0.15 -1.57 0.00 0.00 179.24 178.97 3ag3 h PHE 50 N 0.55 0.26 -0.00 4.55 3.57 -0.69 -3.02 116.94 122.16 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 1.26 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3ag3 h PHE 50 CO 0.07 0.13 -0.22 0.66 -2.23 0.00 0.00 178.31 176.72 3ag3 n TYR 51 N -4.98 0.00 0.10 0.41 4.02 -0.35 -3.76 117.16 112.60 3ag3 n TYR 51 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 3ag3 n TYR 51 Cb 0.10 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 39.02 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 0.11 -0.21 -0.34 -0.72 2.43 -1.25 -2.63 114.38 111.78 3ag3 h ARG 52 Ca 0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 3ag3 h ARG 52 Cb 0.48 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 3ag3 h ARG 52 CO 0.00 -0.14 -0.03 0.09 -1.51 0.00 0.00 179.97 178.38 3ag3 n ASN 53 N -5.21 2.94 -4.75 -3.80 3.02 -1.26 -5.06 115.26 101.13 3ag3 n ASN 53 Ca -0.08 -3.52 -0.41 0.00 -0.03 0.00 0.00 54.58 50.54 3ag3 n ASN 53 Cb 0.13 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 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 -3.11 3.07 -0.34 3.10 5.04 -0.99 -5.01 117.35 119.11 3ag3 s TYR 54 Ca 0.44 1.19 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3ag3 s TYR 54 Cb 0.39 -3.73 0.10 0.00 0.35 0.00 0.00 41.96 39.06 3ag3 s TYR 54 CO 0.03 -2.25 0.05 0.34 -1.34 0.00 0.00 175.55 172.38 3ag3 s ASP 55 N 0.09 4.79 0.35 4.32 -1.08 -1.26 -4.99 116.67 118.89 3ag3 s ASP 55 Ca 0.55 -2.11 0.10 0.00 -0.52 0.00 0.00 52.55 50.58 3ag3 s ASP 55 Cb -0.40 -1.64 0.63 0.00 -1.46 0.00 0.00 42.92 40.05 3ag3 s ASP 55 CO 0.45 -0.38 1.79 0.77 0.52 0.00 0.00 175.17 178.32 3ag3 h SER 56 N 7.65 0.09 -0.25 -0.34 4.64 -1.99 -2.07 113.55 121.28 3ag3 h SER 56 Ca -0.05 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 3ag3 h SER 56 Cb 1.02 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3ag3 h SER 56 CO 0.53 0.46 -0.36 0.24 -0.87 0.00 0.00 176.83 176.83 3ag3 h MET 57 N 0.08 0.78 -0.20 4.77 2.86 -1.99 -0.68 114.93 120.55 3ag3 h MET 57 Ca 0.01 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 3ag3 h MET 57 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3ag3 h MET 57 CO 0.05 1.01 0.09 -0.22 1.06 0.00 0.00 176.91 178.90 3ag3 h LYS 58 N 0.64 0.29 -0.69 1.72 3.64 -1.87 0.96 116.57 121.27 3ag3 h LYS 58 Ca 0.06 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3ag3 h LYS 58 Cb 0.90 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 3ag3 h LYS 58 CO 0.08 0.34 0.36 0.22 -2.27 0.00 0.00 179.45 178.19 3ag3 h ASP 59 N 0.18 0.51 -0.58 4.20 -0.00 -1.32 -0.65 116.42 118.75 3ag3 h ASP 59 Ca 0.07 0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.13 3ag3 h ASP 59 Cb 0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.41 3ag3 h ASP 59 CO -0.01 0.31 0.30 0.15 -0.00 0.00 0.00 179.24 180.00 3ag3 h PHE 60 N 0.65 0.81 -0.45 0.28 3.04 -0.83 -0.13 116.94 120.31 3ag3 h PHE 60 Ca 0.32 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.17 3ag3 h PHE 60 Cb 0.27 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 3ag3 h PHE 60 CO -0.09 0.60 -0.05 1.49 -2.02 0.00 0.00 178.31 178.24 3ag3 h GLU 61 N 0.78 0.76 -0.47 1.11 4.57 -0.08 0.23 114.58 121.49 3ag3 h GLU 61 Ca 0.20 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3ag3 h GLU 61 Cb 0.07 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3ag3 h GLU 61 CO -0.03 0.80 -0.15 0.93 -1.18 0.00 0.00 179.01 179.38 3ag3 h GLU 62 N 0.70 0.93 -0.49 1.92 5.08 -0.71 -0.34 114.58 121.66 3ag3 h GLU 62 Ca 0.13 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3ag3 h GLU 62 Cb 0.50 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3ag3 h GLU 62 CO 0.03 1.03 0.05 0.52 -1.00 0.00 0.00 179.01 179.64 3ag3 h MET 63 N 0.77 0.82 -0.19 2.33 2.86 -0.15 -2.05 114.93 119.33 3ag3 h MET 63 Ca 0.11 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3ag3 h MET 63 Cb 0.72 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3ag3 h MET 63 CO 0.05 0.84 0.12 -0.09 1.06 0.00 0.00 176.91 178.89 3ag3 h ARG 64 N 0.69 0.25 0.00 1.72 2.43 -0.42 -2.51 114.38 116.55 3ag3 h ARG 64 Ca 0.14 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3ag3 h ARG 64 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3ag3 h ARG 64 CO 0.01 0.20 -0.22 0.87 -1.51 0.00 0.00 179.97 179.32 3ag3 h LYS 65 N 0.23 0.00 0.00 0.20 1.57 -0.94 -0.87 116.57 116.76 3ag3 h LYS 65 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ag3 h LYS 65 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3ag3 h LYS 65 CO -0.01 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3ag3 n ALA 66 N -2.27 2.11 -0.30 3.86 0.00 -0.78 -4.90 120.51 118.22 3ag3 n ALA 66 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ag3 n ALA 66 Cb 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.99 0.81 0.24 0.00 0.00 -0.33 -4.99 105.19 101.90 3ag3 n GLY 67 Ca 0.06 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.04 -3.00 -0.61 3.07 -1.63 -3.47 117.51 111.91 3ag3 h ILE 68 Ca 0.00 -0.89 -0.61 0.00 1.55 0.00 0.00 64.86 64.91 3ag3 h ILE 68 Cb 0.00 1.86 -0.05 0.00 -0.27 0.00 0.00 36.82 38.36 3ag3 h ILE 68 CO 0.00 0.02 -0.35 -0.36 -1.05 0.00 0.00 178.15 176.41 3ag3 s PHE 69 N -3.36 3.56 0.16 0.16 2.99 -1.26 -5.00 117.98 115.24 3ag3 s PHE 69 Ca 0.05 0.60 -0.05 0.00 0.00 0.00 0.00 56.93 57.53 3ag3 s PHE 69 Cb 0.06 -2.02 0.03 0.00 0.00 0.00 0.00 43.02 41.10 3ag3 s PHE 69 CO 0.63 0.56 1.44 1.96 -0.00 0.00 0.00 175.22 179.81 3ag3 h GLN 70 N 3.67 0.58 -0.02 0.44 4.20 -2.02 -3.36 115.11 118.60 3ag3 h GLN 70 Ca -0.49 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 57.81 3ag3 h GLN 70 Cb 1.19 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3ag3 h GLN 70 CO 0.68 1.04 -0.24 -1.13 -0.67 0.00 0.00 178.83 178.50 3ag3 n SER 71 N -3.92 2.17 -3.70 1.46 3.41 -1.26 -4.85 113.62 106.92 3ag3 n SER 71 Ca -0.04 -1.59 -0.15 0.00 -0.26 0.00 0.00 58.87 56.83 3ag3 n SER 71 Cb 0.66 0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 64.70 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 -2.28 -0.29 -0.52 7.33 0.00 -1.26 -5.25 121.76 119.50 3ag3 s ALA 72 Ca 0.24 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.94 3ag3 s ALA 72 Cb 0.19 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3ag3 s ALA 72 CO 0.45 -0.37 0.63 1.63 0.00 0.00 0.00 175.76 178.10