#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s ALA 3 N 0.00 2.44 -0.18 2.41 0.00 -1.26 -5.04 121.76 120.13 3ag4 s ALA 3 Ca 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 3ag4 s ALA 3 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3ag4 s ALA 3 CO 0.00 -1.35 0.14 -0.51 0.00 0.00 0.00 175.76 174.04 3ag4 s LEU 4 N -5.02 4.26 0.52 0.00 1.43 -1.26 -5.11 118.68 113.50 3ag4 s LEU 4 Ca 0.66 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.89 3ag4 s LEU 4 Cb -0.20 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 3ag4 s LEU 4 CO 0.44 0.23 1.02 0.00 0.23 0.00 0.00 176.35 178.27 3ag4 s ALA 5 N 0.02 2.89 0.05 4.21 0.00 -1.26 -5.01 121.76 122.66 3ag4 s ALA 5 Ca 0.10 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 3ag4 s ALA 5 Cb -0.11 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 3ag4 s ALA 5 CO -0.00 -0.42 1.39 0.21 0.00 0.00 0.00 175.76 176.94 3ag4 s LYS 6 N -3.72 4.30 0.50 0.00 2.20 -1.26 -5.01 119.74 116.76 3ag4 s LYS 6 Ca 0.63 2.01 0.01 0.00 -0.36 0.00 0.00 55.97 58.26 3ag4 s LYS 6 Cb -0.14 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3ag4 s LYS 6 CO 0.28 -0.50 0.72 -1.25 -0.36 0.00 0.00 175.35 174.23 3ag4 s PRO 7 N 1.81 2.78 0.18 4.03 0.04 -1.26 -5.03 135.00 137.55 3ag4 s PRO 7 Ca 0.64 -0.68 -0.31 0.00 0.04 0.00 0.00 61.00 60.69 3ag4 s PRO 7 Cb -0.34 -2.53 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 3ag4 s PRO 7 CO 0.28 -0.50 1.50 -0.65 0.04 0.00 0.00 177.00 177.68 3ag4 s GLN 8 N -4.65 4.25 0.00 4.56 -1.52 -1.26 -4.91 119.66 116.13 3ag4 s GLN 8 Ca 0.53 2.30 0.00 0.00 -1.95 0.00 0.00 55.36 56.25 3ag4 s GLN 8 Cb -0.10 -3.15 -0.00 0.00 -0.22 0.00 0.00 33.01 29.53 3ag4 s GLN 8 CO 0.38 -0.53 0.16 -1.33 -0.25 0.00 0.00 175.29 173.72 3ag4 n MET 9 N 3.46 4.67 -4.71 2.91 2.81 -1.26 -5.00 117.12 119.99 3ag4 n MET 9 Ca 0.11 -0.15 -0.30 0.00 -1.81 0.00 0.00 57.70 55.55 3ag4 n MET 9 Cb 0.40 -0.66 -0.13 0.00 -0.71 0.00 0.00 33.22 32.11 3ag4 n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ag4 s ARG 10 N -0.76 1.91 -1.50 0.03 0.52 -1.26 -4.68 118.95 113.21 3ag4 s ARG 10 Ca 0.00 -1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 54.08 3ag4 s ARG 10 Cb 0.00 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.40 3ag4 s ARG 10 CO 0.01 0.52 0.77 0.41 0.02 0.00 0.00 175.30 177.03 3ag4 n GLY 11 N 1.55 -0.53 0.28 -3.53 0.00 -1.26 -4.93 105.19 96.77 3ag4 n GLY 11 Ca -0.17 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3ag4 n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ag4 h LEU 12 N -1.74 0.67 0.07 0.99 3.38 -1.95 -1.12 115.31 115.61 3ag4 h LEU 12 Ca -0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 3ag4 h LEU 12 Cb 1.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ag4 h LEU 12 CO 0.57 0.78 -0.03 0.25 0.09 0.00 0.00 178.44 180.10 3ag4 h LEU 13 N 0.65 -0.08 -0.71 1.67 5.85 -1.99 -1.39 115.31 119.32 3ag4 h LEU 13 Ca 0.12 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.63 3ag4 h LEU 13 Cb 0.48 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3ag4 h LEU 13 CO 0.02 0.28 0.33 0.00 -0.34 0.00 0.00 178.44 178.74 3ag4 h ALA 14 N 0.46 0.97 -0.41 1.25 0.00 -1.95 -0.04 119.26 119.54 3ag4 h ALA 14 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ag4 h ALA 14 Cb 0.38 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ag4 h ALA 14 CO 0.02 -0.09 0.25 -0.09 0.00 0.00 0.00 179.25 179.34 3ag4 h ARG 15 N 0.56 0.49 -0.94 0.00 2.43 -1.17 1.00 114.38 116.75 3ag4 h ARG 15 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3ag4 h ARG 15 Cb 0.41 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3ag4 h ARG 15 CO -0.29 0.33 0.60 -0.09 -1.51 0.00 0.00 179.97 179.01 3ag4 h ARG 16 N 0.51 1.25 -0.59 0.20 2.43 -0.54 -2.46 114.38 115.19 3ag4 h ARG 16 Ca 0.16 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3ag4 h ARG 16 Cb -0.01 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.24 3ag4 h ARG 16 CO -0.06 0.84 0.26 1.25 -1.51 0.00 0.00 179.97 180.75 3ag4 h LEU 17 N 1.28 0.79 0.69 3.80 5.85 -0.29 -0.67 115.31 126.75 3ag4 h LEU 17 Ca 0.34 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3ag4 h LEU 17 Cb -0.11 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.72 3ag4 h LEU 17 CO -0.07 0.72 -0.33 0.03 -0.34 0.00 0.00 178.44 178.45 3ag4 h ARG 18 N 0.80 -0.89 -0.97 1.25 3.08 -0.47 0.16 114.38 117.34 3ag4 h ARG 18 Ca 0.20 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.42 3ag4 h ARG 18 Cb 0.16 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.28 3ag4 h ARG 18 CO -0.02 -0.60 -0.52 0.35 -1.07 0.00 0.00 179.97 178.11 3ag4 h PHE 19 N -1.04 -1.62 -0.24 3.04 3.04 -1.54 -0.69 116.94 117.88 3ag4 h PHE 19 Ca -0.09 0.12 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 3ag4 h PHE 19 Cb 0.71 0.84 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 3ag4 h PHE 19 CO 0.04 -0.39 -0.46 0.45 -2.02 0.00 0.00 178.31 175.94 3ag4 h HIS 20 N -0.02 0.76 -0.56 0.41 3.86 -0.82 -1.99 115.15 116.80 3ag4 h HIS 20 Ca 0.22 -0.24 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 3ag4 h HIS 20 Cb 0.48 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 3ag4 h HIS 20 CO -0.97 0.97 0.19 0.82 0.86 0.00 0.00 177.93 179.80 3ag4 h ILE 21 N 0.50 0.78 -0.23 2.45 1.08 -0.47 0.12 117.51 121.74 3ag4 h ILE 21 Ca 0.03 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 3ag4 h ILE 21 Cb 0.99 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3ag4 h ILE 21 CO 0.09 0.07 0.08 0.58 -0.69 0.00 0.00 178.15 178.27 3ag4 h VAL 22 N 0.36 0.94 -0.96 1.67 2.07 -0.72 -1.33 116.25 118.29 3ag4 h VAL 22 Ca 0.28 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.76 3ag4 h VAL 22 Cb 0.33 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3ag4 h VAL 22 CO -0.29 0.03 0.63 1.23 0.02 0.00 0.00 177.57 179.19 3ag4 h GLY 23 N 0.18 1.37 0.98 2.17 0.00 -1.00 -1.52 103.07 105.25 3ag4 h GLY 23 Ca 0.10 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3ag4 h GLY 23 CO -0.10 0.46 0.33 0.00 0.00 0.00 0.00 176.54 177.22 3ag4 h ALA 24 N 1.37 0.64 -0.53 3.60 0.00 -0.24 0.02 119.26 124.11 3ag4 h ALA 24 Ca 0.36 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3ag4 h ALA 24 Cb -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3ag4 h ALA 24 CO -0.10 0.07 0.33 0.35 0.00 0.00 0.00 179.25 179.91 3ag4 h PHE 25 N 0.67 0.61 -0.04 0.00 3.57 -1.00 -2.02 116.94 118.74 3ag4 h PHE 25 Ca 0.19 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3ag4 h PHE 25 Cb -0.06 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 3ag4 h PHE 25 CO -0.04 0.36 -0.25 0.52 -2.23 0.00 0.00 178.31 176.67 3ag4 h MET 26 N 0.65 -0.35 -0.89 1.11 2.86 -0.24 -0.51 114.93 117.57 3ag4 h MET 26 Ca 0.21 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.98 3ag4 h MET 26 Cb 0.00 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 3ag4 h MET 26 CO -0.09 -0.23 0.52 0.28 1.06 0.00 0.00 176.91 178.46 3ag4 h VAL 27 N -0.36 0.90 0.30 -2.22 2.07 -0.88 0.73 116.25 116.78 3ag4 h VAL 27 Ca 0.07 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3ag4 h VAL 27 Cb 0.46 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3ag4 h VAL 27 CO -0.25 0.15 -0.14 0.28 0.02 0.00 0.00 177.57 177.64 3ag4 h SER 28 N 0.84 -0.34 -0.25 0.57 0.02 -0.94 0.39 113.55 113.85 3ag4 h SER 28 Ca 0.44 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.39 3ag4 h SER 28 Cb 0.43 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 3ag4 h SER 28 CO -0.26 -0.15 -0.12 0.25 -1.14 0.00 0.00 176.83 175.40 3ag4 h LEU 29 N -0.50 -0.39 -0.76 5.07 5.85 -0.55 0.19 115.31 124.22 3ag4 h LEU 29 Ca -0.04 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3ag4 h LEU 29 Cb 0.37 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3ag4 h LEU 29 CO 0.07 -0.15 0.33 1.23 -0.34 0.00 0.00 178.44 179.58 3ag4 h GLY 30 N -0.08 1.20 1.26 3.75 0.00 -0.84 -2.47 103.07 105.89 3ag4 h GLY 30 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3ag4 h GLY 30 CO -0.30 0.59 -0.18 -2.75 0.00 0.00 0.00 176.54 173.90 3ag4 h PHE 31 N 1.08 0.97 -0.50 5.60 3.04 0.28 -2.69 116.94 124.73 3ag4 h PHE 31 Ca 0.26 -0.21 0.08 0.00 3.98 0.00 0.00 57.97 62.08 3ag4 h PHE 31 Cb 0.17 -0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.38 3ag4 h PHE 31 CO 0.01 0.96 0.12 0.00 -2.02 0.00 0.00 178.31 177.38 3ag4 h ALA 32 N 1.04 0.57 -0.95 2.41 0.00 -0.37 0.17 119.26 122.13 3ag4 h ALA 32 Ca 0.11 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.29 3ag4 h ALA 32 Cb 0.71 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3ag4 h ALA 32 CO 0.05 -0.29 0.60 1.15 0.00 0.00 0.00 179.25 180.77 3ag4 h THR 33 N 0.26 0.75 -0.00 0.00 2.02 -1.25 -0.45 112.91 114.23 3ag4 h THR 33 Ca 0.25 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3ag4 h THR 33 Cb 0.32 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3ag4 h THR 33 CO -0.31 0.12 -0.09 0.15 0.37 0.00 0.00 175.52 175.76 3ag4 h PHE 34 N 0.65 0.10 -0.46 3.16 3.57 -0.61 -3.19 116.94 120.16 3ag4 h PHE 34 Ca 0.50 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.97 3ag4 h PHE 34 Cb 0.91 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 3ag4 h PHE 34 CO -0.00 0.83 0.28 -0.92 -2.23 0.00 0.00 178.31 176.27 3ag4 h TYR 35 N -0.66 0.53 0.00 0.41 3.20 -0.60 0.13 116.97 119.98 3ag4 h TYR 35 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ag4 h TYR 35 Cb 0.85 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3ag4 h TYR 35 CO 0.19 0.31 0.00 1.63 -1.64 0.00 0.00 178.16 178.65 3ag4 n LYS 36 N -4.81 0.11 0.00 1.82 5.02 -0.19 -1.07 118.16 119.03 3ag4 n LYS 36 Ca 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3ag4 n LYS 36 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3ag4 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ag4 n PHE 37 N -1.01 0.00 0.43 2.13 -0.00 -0.90 -3.07 117.46 115.04 3ag4 n PHE 37 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.60 3ag4 n PHE 37 Cb 0.01 0.08 0.28 0.00 -0.00 0.00 0.00 39.48 39.85 3ag4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag4 h ALA 38 N 0.00 0.97 0.00 3.13 0.00 -0.74 -3.18 119.26 119.45 3ag4 h ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag4 h ALA 38 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ag4 h ALA 38 CO 0.00 0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.53 3ag4 n VAL 39 N -2.64 0.98 0.05 0.00 0.31 -0.23 -4.73 118.33 112.06 3ag4 n VAL 39 Ca 0.05 0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 64.58 3ag4 n VAL 39 Cb 0.48 -1.36 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 3ag4 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag4 h ALA 40 N 0.00 -0.18 -0.21 3.52 0.00 -1.65 0.21 119.26 120.95 3ag4 h ALA 40 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ag4 h ALA 40 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ag4 h ALA 40 CO 0.00 -0.34 0.06 0.93 0.00 0.00 0.00 179.25 179.90 3ag4 h GLU 41 N -0.70 0.33 -0.68 0.00 4.39 -1.74 -0.74 114.58 115.44 3ag4 h GLU 41 Ca -0.02 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.72 3ag4 h GLU 41 Cb 0.52 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.00 3ag4 h GLU 41 CO 0.03 0.43 -0.36 -0.22 -1.16 0.00 0.00 179.01 177.74 3ag4 h LYS 42 N 0.17 -0.13 0.13 2.33 3.64 -1.58 0.12 116.57 121.26 3ag4 h LYS 42 Ca 0.07 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3ag4 h LYS 42 Cb 0.24 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3ag4 h LYS 42 CO -0.00 -0.08 -0.30 -0.09 -2.27 0.00 0.00 179.45 176.70 3ag4 h ARG 43 N -0.13 -0.51 -0.49 1.90 9.65 -0.64 0.17 114.38 124.32 3ag4 h ARG 43 Ca 0.25 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.26 3ag4 h ARG 43 Cb 0.56 0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.17 3ag4 h ARG 43 CO -0.75 -0.34 -0.08 0.87 2.80 0.00 0.00 179.97 182.47 3ag4 h LYS 44 N -0.53 0.04 -0.16 0.20 1.57 -0.54 -1.91 116.57 115.23 3ag4 h LYS 44 Ca 0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3ag4 h LYS 44 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3ag4 h LYS 44 CO -0.17 0.02 0.04 -0.22 -0.57 0.00 0.00 179.45 178.55 3ag4 h LYS 45 N 0.04 0.26 -0.60 3.15 3.64 -0.59 -1.71 116.57 120.75 3ag4 h LYS 45 Ca 0.24 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.68 3ag4 h LYS 45 Cb 0.37 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 3ag4 h LYS 45 CO -0.47 0.41 0.05 0.00 -2.27 0.00 0.00 179.45 177.16 3ag4 h ALA 46 N 0.84 0.64 -0.14 5.00 0.00 -0.17 0.83 119.26 126.25 3ag4 h ALA 46 Ca 0.05 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 3ag4 h ALA 46 Cb 0.27 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ag4 h ALA 46 CO 0.00 -0.37 -0.56 1.88 0.00 0.00 0.00 179.25 180.21 3ag4 h TYR 47 N 0.16 0.54 -0.04 0.00 -1.99 -1.24 -1.53 116.97 112.87 3ag4 h TYR 47 Ca 0.32 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 3ag4 h TYR 47 Cb 0.50 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.13 3ag4 h TYR 47 CO -0.32 0.89 -0.08 0.00 -0.00 0.00 0.00 178.16 178.64 3ag4 h ALA 48 N 1.07 0.06 -0.52 3.88 0.00 -0.43 -2.47 119.26 120.85 3ag4 h ALA 48 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.69 3ag4 h ALA 48 Cb 1.08 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3ag4 h ALA 48 CO 0.10 -0.08 -0.14 -0.44 0.00 0.00 0.00 179.25 178.68 3ag4 h ASP 49 N -0.42 -0.52 -0.34 0.00 3.45 -0.94 -1.22 116.42 116.44 3ag4 h ASP 49 Ca -0.00 0.16 0.05 0.00 0.43 0.00 0.00 57.03 57.67 3ag4 h ASP 49 Cb 0.68 0.33 -0.04 0.00 -0.56 0.00 0.00 39.33 39.74 3ag4 h ASP 49 CO 0.02 -0.18 0.08 0.15 -1.57 0.00 0.00 179.24 177.73 3ag4 h PHE 50 N -0.02 0.13 -0.01 4.55 3.57 -1.15 -2.76 116.94 121.25 3ag4 h PHE 50 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3ag4 h PHE 50 Cb 0.39 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3ag4 h PHE 50 CO -0.45 0.03 -0.10 0.66 -2.23 0.00 0.00 178.31 176.23 3ag4 n TYR 51 N -5.07 0.00 0.15 0.41 4.02 -0.94 -3.82 117.16 111.91 3ag4 n TYR 51 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 3ag4 n TYR 51 Cb 0.14 -0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.33 3ag4 n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ag4 h ARG 52 N 1.95 -0.37 -0.40 -0.72 2.43 -0.91 -3.20 114.38 113.16 3ag4 h ARG 52 Ca 0.00 0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.94 3ag4 h ARG 52 Cb 0.51 0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 29.98 3ag4 h ARG 52 CO 0.00 -0.08 -0.30 0.09 -1.51 0.00 0.00 179.97 178.17 3ag4 n ASN 53 N -5.15 3.19 -4.75 -3.80 3.02 -1.26 -5.04 115.26 101.48 3ag4 n ASN 53 Ca -0.10 -3.82 -0.41 0.00 -0.03 0.00 0.00 54.58 50.23 3ag4 n ASN 53 Cb 0.24 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 3ag4 n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ag4 s TYR 54 N -3.37 3.48 -0.31 3.10 5.04 -1.21 -5.02 117.35 119.05 3ag4 s TYR 54 Ca 0.46 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.71 3ag4 s TYR 54 Cb 0.41 -3.37 0.08 0.00 0.35 0.00 0.00 41.96 39.43 3ag4 s TYR 54 CO -0.01 -0.86 -0.00 0.34 -1.34 0.00 0.00 175.55 173.67 3ag4 s ASP 55 N -0.58 4.72 0.15 4.32 -1.08 -1.26 -5.01 116.67 117.93 3ag4 s ASP 55 Ca 0.47 -1.71 -0.04 0.00 -0.52 0.00 0.00 52.55 50.75 3ag4 s ASP 55 Cb -0.33 -1.63 -0.02 0.00 -1.46 0.00 0.00 42.92 39.47 3ag4 s ASP 55 CO 0.41 -0.30 1.37 0.77 0.52 0.00 0.00 175.17 177.94 3ag4 h SER 56 N 7.78 0.57 -0.60 -0.34 4.64 -1.98 -0.57 113.55 123.05 3ag4 h SER 56 Ca -0.14 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 60.75 3ag4 h SER 56 Cb 1.04 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 3ag4 h SER 56 CO 0.52 1.17 0.24 0.24 -0.87 0.00 0.00 176.83 178.13 3ag4 h MET 57 N 0.30 0.93 -0.17 4.77 2.86 -1.98 0.11 114.93 121.75 3ag4 h MET 57 Ca -0.05 -0.15 -0.21 0.00 -2.06 0.00 0.00 59.70 57.22 3ag4 h MET 57 Cb 1.40 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.91 3ag4 h MET 57 CO 0.14 0.77 -0.73 -0.22 1.06 0.00 0.00 176.91 177.93 3ag4 h LYS 58 N 0.91 0.79 -0.30 1.72 3.64 -1.95 0.14 116.57 121.53 3ag4 h LYS 58 Ca 0.21 -0.63 0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3ag4 h LYS 58 Cb 0.19 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3ag4 h LYS 58 CO -0.02 1.24 -0.02 0.22 -2.27 0.00 0.00 179.45 178.60 3ag4 h ASP 59 N 0.53 -0.16 -0.66 4.20 -0.00 -1.09 -1.11 116.42 118.13 3ag4 h ASP 59 Ca -0.04 0.07 -0.08 0.00 -0.00 0.00 0.00 57.03 56.98 3ag4 h ASP 59 Cb 1.36 0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 40.80 3ag4 h ASP 59 CO 0.15 -0.04 0.09 0.15 -0.00 0.00 0.00 179.24 179.58 3ag4 h PHE 60 N 0.07 1.19 -0.92 0.28 3.04 -0.49 -2.22 116.94 117.88 3ag4 h PHE 60 Ca 0.15 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.92 3ag4 h PHE 60 Cb 0.20 -0.32 -0.05 0.00 2.56 0.00 0.00 35.95 38.34 3ag4 h PHE 60 CO -0.24 1.00 0.58 1.49 -2.02 0.00 0.00 178.31 179.13 3ag4 h GLU 61 N 1.03 1.23 -0.75 1.11 4.57 -0.62 0.45 114.58 121.62 3ag4 h GLU 61 Ca 0.20 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3ag4 h GLU 61 Cb 0.47 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3ag4 h GLU 61 CO 0.02 0.84 0.28 0.93 -1.18 0.00 0.00 179.01 179.90 3ag4 h GLU 62 N 1.26 1.12 -0.26 1.92 5.08 -0.91 0.21 114.58 123.00 3ag4 h GLU 62 Ca 0.33 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3ag4 h GLU 62 Cb -0.10 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 3ag4 h GLU 62 CO -0.07 0.92 -0.38 0.52 -1.00 0.00 0.00 179.01 179.00 3ag4 h MET 63 N 1.09 0.72 0.36 2.33 2.86 -0.76 -2.49 114.93 119.04 3ag4 h MET 63 Ca 0.25 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3ag4 h MET 63 Cb 0.23 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3ag4 h MET 63 CO -0.02 1.05 -0.29 -0.09 1.06 0.00 0.00 176.91 178.62 3ag4 h ARG 64 N 0.45 -0.63 -0.91 1.72 2.43 -0.71 -2.01 114.38 114.72 3ag4 h ARG 64 Ca 0.03 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.50 3ag4 h ARG 64 Cb 0.97 0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.52 3ag4 h ARG 64 CO 0.09 -0.42 0.28 0.87 -1.51 0.00 0.00 179.97 179.28 3ag4 h LYS 65 N -0.66 0.19 0.00 0.20 1.57 -0.57 0.15 116.57 117.46 3ag4 h LYS 65 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ag4 h LYS 65 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3ag4 h LYS 65 CO -0.01 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 3ag4 n ALA 66 N -2.66 2.01 -0.91 3.86 0.00 -0.78 -4.89 120.51 117.13 3ag4 n ALA 66 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ag4 n ALA 66 Cb 0.76 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3ag4 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag4 n GLY 67 N 0.43 0.54 0.26 0.00 0.00 0.53 -4.98 105.19 101.98 3ag4 n GLY 67 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3ag4 n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ag4 h ILE 68 N 0.00 0.63 -3.04 -0.61 3.07 -1.71 -3.45 117.51 112.40 3ag4 h ILE 68 Ca 0.00 -0.46 -0.61 0.00 1.55 0.00 0.00 64.86 65.34 3ag4 h ILE 68 Cb 0.00 1.29 -0.05 0.00 -0.27 0.00 0.00 36.82 37.79 3ag4 h ILE 68 CO 0.00 0.11 -0.19 -0.36 -1.05 0.00 0.00 178.15 176.65 3ag4 s PHE 69 N -4.31 3.72 0.14 0.16 0.40 -1.26 -4.95 117.98 111.89 3ag4 s PHE 69 Ca -0.03 1.00 -0.02 0.00 -0.60 0.00 0.00 56.93 57.28 3ag4 s PHE 69 Cb 0.14 -2.30 -0.06 0.00 0.51 0.00 0.00 43.02 41.31 3ag4 s PHE 69 CO 0.59 0.63 1.33 0.37 0.70 0.00 0.00 175.22 178.85 3ag4 h GLN 70 N 4.61 0.35 0.00 0.44 4.15 -2.02 -3.36 115.11 119.28 3ag4 h GLN 70 Ca -0.51 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 58.54 3ag4 h GLN 70 Cb 1.22 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.01 3ag4 h GLN 70 CO 0.62 1.05 -1.12 -1.13 -1.93 0.00 0.00 178.83 176.32 3ag4 n SER 71 N -3.73 0.69 -3.54 -0.69 3.41 -1.26 -4.73 113.62 103.77 3ag4 n SER 71 Ca -0.06 -0.56 -0.29 0.00 -0.26 0.00 0.00 58.87 57.70 3ag4 n SER 71 Cb 0.82 1.03 -0.12 0.00 -0.26 0.00 0.00 64.21 65.68 3ag4 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ag4 s ALA 72 N -3.13 1.36 -2.05 7.33 0.00 -1.26 -5.27 121.76 118.74 3ag4 s ALA 72 Ca 0.05 -2.15 0.32 0.00 0.00 0.00 0.00 51.96 50.17 3ag4 s ALA 72 Cb 0.15 -1.69 1.82 0.00 0.00 0.00 0.00 23.12 23.40 3ag4 s ALA 72 CO 0.84 -2.09 2.18 1.63 0.00 0.00 0.00 175.76 178.32