#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s ALA 3 N 0.00 3.50 0.16 2.41 0.00 -1.26 -4.98 121.76 121.59 3ag1 s ALA 3 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 3ag1 s ALA 3 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3ag1 s ALA 3 CO 0.00 -0.70 1.10 -0.51 0.00 0.00 0.00 175.76 175.65 3ag1 s LEU 4 N -1.86 4.48 0.51 0.00 1.43 -1.26 -5.05 118.68 116.94 3ag1 s LEU 4 Ca 0.50 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 3ag1 s LEU 4 Cb -0.41 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 3ag1 s LEU 4 CO 0.54 -0.24 0.91 0.00 0.23 0.00 0.00 176.35 177.79 3ag1 s ALA 5 N -0.12 3.21 -0.03 4.21 0.00 -1.26 -5.01 121.76 122.76 3ag1 s ALA 5 Ca 0.50 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 3ag1 s ALA 5 Cb -0.29 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 3ag1 s ALA 5 CO 0.34 -0.33 2.02 0.21 0.00 0.00 0.00 175.76 178.00 3ag1 s LYS 6 N -4.47 3.88 0.68 0.00 2.20 -1.26 -5.01 119.74 115.77 3ag1 s LYS 6 Ca 0.54 2.44 -0.11 0.00 -0.36 0.00 0.00 55.97 58.47 3ag1 s LYS 6 Cb -0.10 -4.21 -0.00 0.00 -1.51 0.00 0.00 37.83 32.00 3ag1 s LYS 6 CO 0.40 -1.25 1.07 -1.25 -0.36 0.00 0.00 175.35 173.97 3ag1 s PRO 7 N 4.93 3.09 0.22 4.03 0.04 -1.26 -5.03 135.00 141.02 3ag1 s PRO 7 Ca 0.91 0.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.21 3ag1 s PRO 7 Cb -0.40 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 3ag1 s PRO 7 CO 0.39 -0.89 1.59 1.04 0.04 0.00 0.00 177.00 179.17 3ag1 n GLN 8 N -2.93 2.40 0.00 4.56 1.13 -1.26 -4.94 117.38 116.34 3ag1 n GLN 8 Ca 0.07 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.99 3ag1 n GLN 8 Cb 0.56 -2.63 0.00 0.00 0.11 0.00 0.00 30.24 28.28 3ag1 n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3ag1 n MET 9 N 3.04 2.71 -5.21 -1.09 2.81 -1.26 -5.02 117.12 113.11 3ag1 n MET 9 Ca 0.14 -0.08 -0.31 0.00 -1.81 0.00 0.00 57.70 55.64 3ag1 n MET 9 Cb 0.32 -0.42 -0.15 0.00 -0.71 0.00 0.00 33.22 32.26 3ag1 n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ag1 s ARG 10 N -0.41 2.12 -0.89 0.03 0.52 -1.26 -4.72 118.95 114.33 3ag1 s ARG 10 Ca 0.00 -0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 3ag1 s ARG 10 Cb 0.00 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.40 3ag1 s ARG 10 CO 0.00 0.56 0.11 0.41 0.02 0.00 0.00 175.30 176.40 3ag1 n GLY 11 N 2.33 -0.04 0.27 -3.53 0.00 -1.26 -4.93 105.19 98.04 3ag1 n GLY 11 Ca -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 3ag1 n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ag1 h LEU 12 N -0.26 0.63 -0.25 0.99 3.38 -1.95 -2.19 115.31 115.67 3ag1 h LEU 12 Ca -0.27 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3ag1 h LEU 12 Cb 1.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ag1 h LEU 12 CO 0.30 0.74 -0.24 0.25 0.09 0.00 0.00 178.44 179.58 3ag1 h LEU 13 N 0.61 0.65 -1.34 1.67 5.85 -1.99 -1.17 115.31 119.59 3ag1 h LEU 13 Ca 0.12 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 3ag1 h LEU 13 Cb 0.47 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ag1 h LEU 13 CO 0.02 0.99 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 3ag1 h ALA 14 N 0.68 1.47 0.06 1.25 0.00 -1.94 -1.10 119.26 119.67 3ag1 h ALA 14 Ca 0.04 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 3ag1 h ALA 14 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ag1 h ALA 14 CO 0.06 0.38 -1.06 -0.09 0.00 0.00 0.00 179.25 178.54 3ag1 h ARG 15 N 0.42 0.34 -0.63 0.00 2.43 -1.29 -1.44 114.38 114.21 3ag1 h ARG 15 Ca 0.09 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3ag1 h ARG 15 Cb 0.28 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3ag1 h ARG 15 CO 0.01 1.14 0.27 -0.09 -1.51 0.00 0.00 179.97 179.79 3ag1 h ARG 16 N 0.16 0.93 -0.06 0.20 2.43 -0.32 -2.62 114.38 115.10 3ag1 h ARG 16 Ca -0.10 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3ag1 h ARG 16 Cb 1.73 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.12 3ag1 h ARG 16 CO 0.18 0.78 0.03 1.25 -1.51 0.00 0.00 179.97 180.69 3ag1 h LEU 17 N 0.88 0.08 -1.38 3.80 5.85 -1.13 -2.00 115.31 121.41 3ag1 h LEU 17 Ca 0.21 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ag1 h LEU 17 Cb 0.18 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3ag1 h LEU 17 CO -0.02 0.17 0.42 0.03 -0.34 0.00 0.00 178.44 178.71 3ag1 h ARG 18 N -0.03 0.82 0.03 1.25 3.08 -1.23 0.20 114.38 118.51 3ag1 h ARG 18 Ca 0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ag1 h ARG 18 Cb 0.12 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3ag1 h ARG 18 CO -0.00 0.55 -0.01 0.35 -1.07 0.00 0.00 179.97 179.78 3ag1 h PHE 19 N 0.85 -0.04 0.01 3.04 3.04 -1.27 -3.18 116.94 119.40 3ag1 h PHE 19 Ca 0.24 -0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.98 3ag1 h PHE 19 Cb -0.08 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 3ag1 h PHE 19 CO -0.00 0.27 -0.92 0.45 -2.02 0.00 0.00 178.31 176.08 3ag1 h HIS 20 N -0.34 0.31 -1.00 0.41 3.86 -1.12 -2.96 115.15 114.30 3ag1 h HIS 20 Ca -0.00 -0.18 0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3ag1 h HIS 20 Cb 0.32 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.68 3ag1 h HIS 20 CO 0.03 1.01 0.64 0.82 0.86 0.00 0.00 177.93 181.29 3ag1 h ILE 21 N 0.10 1.00 -0.13 2.45 1.08 -0.69 0.43 117.51 121.76 3ag1 h ILE 21 Ca -0.05 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3ag1 h ILE 21 Cb 1.57 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 3ag1 h ILE 21 CO 0.14 0.20 0.04 0.58 -0.69 0.00 0.00 178.15 178.42 3ag1 h VAL 22 N 1.09 1.17 -0.59 1.67 2.07 -1.51 -2.23 116.25 117.91 3ag1 h VAL 22 Ca 0.47 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3ag1 h VAL 22 Cb 0.33 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 3ag1 h VAL 22 CO -0.22 0.15 -0.52 1.23 0.02 0.00 0.00 177.57 178.24 3ag1 h GLY 23 N 0.03 -0.75 0.05 2.17 0.00 -1.27 -0.72 103.07 102.58 3ag1 h GLY 23 Ca 0.04 0.67 0.22 0.00 0.00 0.00 0.00 47.33 48.26 3ag1 h GLY 23 CO -0.00 -0.11 0.62 0.00 0.00 0.00 0.00 176.54 177.05 3ag1 h ALA 24 N 0.33 1.94 0.37 3.60 0.00 -0.86 -1.59 119.26 123.04 3ag1 h ALA 24 Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ag1 h ALA 24 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ag1 h ALA 24 CO -0.70 -0.32 -0.18 0.35 0.00 0.00 0.00 179.25 178.41 3ag1 h PHE 25 N 0.58 -0.46 -0.98 0.00 3.57 -0.71 -3.04 116.94 115.90 3ag1 h PHE 25 Ca 0.57 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 62.39 3ag1 h PHE 25 Cb 1.15 0.15 -0.17 0.00 2.79 0.00 0.00 35.95 39.88 3ag1 h PHE 25 CO -0.00 -0.29 0.36 0.52 -2.23 0.00 0.00 178.31 176.67 3ag1 h MET 26 N -1.02 0.10 0.00 1.11 2.86 -1.03 -1.11 114.93 115.84 3ag1 h MET 26 Ca -0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3ag1 h MET 26 Cb 0.38 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3ag1 h MET 26 CO 0.08 0.07 0.00 0.28 1.06 0.00 0.00 176.91 178.40 3ag1 n VAL 27 N -5.27 0.00 0.00 -2.22 0.31 -0.61 0.19 118.33 110.73 3ag1 n VAL 27 Ca 0.30 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 66.10 3ag1 n VAL 27 Cb 0.99 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3ag1 n VAL 27 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3ag1 n SER 28 N -2.17 0.00 -0.36 4.52 7.64 -0.50 0.22 113.62 122.97 3ag1 n SER 28 Ca 0.00 0.44 0.26 0.00 1.01 0.00 0.00 58.87 60.59 3ag1 n SER 28 Cb 0.00 -0.15 0.53 0.00 -1.01 0.00 0.00 64.21 63.58 3ag1 n SER 28 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3ag1 h LEU 29 N 0.00 0.43 -0.39 -3.43 4.07 -1.41 2.41 115.31 116.99 3ag1 h LEU 29 Ca 0.00 0.13 -0.08 0.00 0.08 0.00 0.00 57.88 58.01 3ag1 h LEU 29 Cb 0.00 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3ag1 h LEU 29 CO 0.00 -0.05 -0.08 1.23 -1.08 0.00 0.00 178.44 178.47 3ag1 h GLY 30 N 0.31 0.80 1.22 0.83 0.00 0.44 -3.26 103.07 103.40 3ag1 h GLY 30 Ca 0.70 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 3ag1 h GLY 30 CO -0.43 0.59 -0.08 -2.75 0.00 0.00 0.00 176.54 173.87 3ag1 h PHE 31 N 0.55 1.02 -0.24 5.60 3.04 0.59 -3.23 116.94 124.27 3ag1 h PHE 31 Ca 0.10 -0.19 0.05 0.00 3.98 0.00 0.00 57.97 61.91 3ag1 h PHE 31 Cb 0.59 -0.26 -0.07 0.00 2.56 0.00 0.00 35.95 38.76 3ag1 h PHE 31 CO 0.05 0.95 -0.47 0.00 -2.02 0.00 0.00 178.31 176.82 3ag1 h ALA 32 N 1.07 -0.64 -0.82 2.41 0.00 0.38 0.84 119.26 122.51 3ag1 h ALA 32 Ca 0.14 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.29 3ag1 h ALA 32 Cb 0.61 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3ag1 h ALA 32 CO 0.04 -0.96 1.12 1.15 0.00 0.00 0.00 179.25 180.59 3ag1 h THR 33 N -0.46 0.03 0.08 0.00 2.02 -1.59 -2.08 112.91 110.91 3ag1 h THR 33 Ca 0.08 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.94 3ag1 h THR 33 Cb 0.63 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3ag1 h THR 33 CO -0.48 0.00 -1.75 0.33 0.37 0.00 0.00 175.52 173.99 3ag1 n PHE 34 N -3.16 1.17 -0.16 3.16 7.35 0.29 -3.81 117.46 122.29 3ag1 n PHE 34 Ca 0.18 0.32 -0.07 0.00 -0.76 0.00 0.00 57.45 57.12 3ag1 n PHE 34 Cb 1.37 -1.14 0.01 0.00 0.35 0.00 0.00 39.48 40.07 3ag1 n PHE 34 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 3ag1 h TYR 35 N -0.31 0.64 0.00 -5.13 3.20 -1.01 -0.31 116.97 114.05 3ag1 h TYR 35 Ca -0.40 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 3ag1 h TYR 35 Cb 1.78 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.83 3ag1 h TYR 35 CO 0.08 0.45 -0.05 1.17 -1.64 0.00 0.00 178.16 178.17 3ag1 n LYS 36 N -4.70 1.00 0.06 1.82 4.81 -1.04 -1.56 118.16 118.54 3ag1 n LYS 36 Ca 0.02 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 3ag1 n LYS 36 Cb 0.06 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3ag1 n LYS 36 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3ag1 n PHE 37 N 1.87 -2.55 0.30 5.64 -0.00 -1.19 -4.45 117.46 117.08 3ag1 n PHE 37 Ca 0.09 0.43 0.19 0.00 -0.00 0.00 0.00 57.45 58.15 3ag1 n PHE 37 Cb 0.48 1.32 0.85 0.00 -0.00 0.00 0.00 39.48 42.13 3ag1 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag1 h ALA 38 N 0.00 1.00 0.00 3.13 0.00 -1.09 -3.21 119.26 119.10 3ag1 h ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag1 h ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ag1 h ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 3ag1 n VAL 39 N -2.99 0.01 -0.03 0.00 0.31 -0.60 -4.71 118.33 110.32 3ag1 n VAL 39 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 3ag1 n VAL 39 Cb 0.21 -0.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 3ag1 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ag1 h ALA 40 N 0.00 0.17 -0.22 3.52 0.00 -1.60 -1.81 119.26 119.32 3ag1 h ALA 40 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3ag1 h ALA 40 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ag1 h ALA 40 CO 0.00 -0.41 -0.41 0.93 0.00 0.00 0.00 179.25 179.37 3ag1 h GLU 41 N 0.10 0.53 -0.32 0.00 4.39 -1.78 -2.48 114.58 115.02 3ag1 h GLU 41 Ca 0.08 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.54 3ag1 h GLU 41 Cb 0.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 3ag1 h GLU 41 CO -0.10 0.85 0.11 -0.22 -1.16 0.00 0.00 179.01 178.49 3ag1 h LYS 42 N 0.44 0.24 -0.10 2.33 3.64 -1.51 -2.18 116.57 119.42 3ag1 h LYS 42 Ca 0.04 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 3ag1 h LYS 42 Cb 0.90 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3ag1 h LYS 42 CO 0.08 0.16 -0.68 -0.09 -2.27 0.00 0.00 179.45 176.65 3ag1 h ARG 43 N 0.25 0.44 -0.51 1.90 2.43 -1.22 0.16 114.38 117.84 3ag1 h ARG 43 Ca 0.14 -0.34 0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3ag1 h ARG 43 Cb 0.12 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 3ag1 h ARG 43 CO -0.15 0.96 0.07 0.87 -1.51 0.00 0.00 179.97 180.21 3ag1 h LYS 44 N 0.31 0.19 0.16 0.20 1.57 -1.29 -2.50 116.57 115.22 3ag1 h LYS 44 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3ag1 h LYS 44 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ag1 h LYS 44 CO 0.12 0.12 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.83 3ag1 h LYS 45 N 0.19 -0.21 -0.76 3.15 3.64 -1.06 -1.81 116.57 119.71 3ag1 h LYS 45 Ca 0.26 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.82 3ag1 h LYS 45 Cb 0.37 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3ag1 h LYS 45 CO -0.36 -0.03 0.51 0.00 -2.27 0.00 0.00 179.45 177.30 3ag1 h ALA 46 N 0.45 2.26 0.13 5.00 0.00 -0.50 0.32 119.26 126.92 3ag1 h ALA 46 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3ag1 h ALA 46 Cb 0.28 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ag1 h ALA 46 CO 0.04 -0.47 -1.25 1.88 0.00 0.00 0.00 179.25 179.45 3ag1 h TYR 47 N 0.31 0.52 -0.45 0.00 -1.99 -1.43 -2.26 116.97 111.67 3ag1 h TYR 47 Ca 0.37 -0.38 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3ag1 h TYR 47 Cb 1.01 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 3ag1 h TYR 47 CO -0.00 1.48 0.20 0.00 -0.00 0.00 0.00 178.16 179.84 3ag1 h ALA 48 N 0.01 0.58 -0.28 3.88 0.00 -0.75 -2.44 119.26 120.26 3ag1 h ALA 48 Ca -0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ag1 h ALA 48 Cb 1.76 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3ag1 h ALA 48 CO 0.10 0.16 0.18 -0.44 0.00 0.00 0.00 179.25 179.26 3ag1 h ASP 49 N 0.58 0.30 -0.16 0.00 3.45 -0.50 -1.87 116.42 118.23 3ag1 h ASP 49 Ca 0.15 -0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.65 3ag1 h ASP 49 Cb 0.15 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 3ag1 h ASP 49 CO -0.02 0.22 -0.10 0.15 -1.57 0.00 0.00 179.24 177.92 3ag1 h PHE 50 N 0.36 -0.24 -0.00 4.55 3.57 -1.19 -2.92 116.94 121.07 3ag1 h PHE 50 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3ag1 h PHE 50 Cb -0.03 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3ag1 h PHE 50 CO -0.06 -0.15 -0.19 0.66 -2.23 0.00 0.00 178.31 176.33 3ag1 n TYR 51 N -5.25 0.00 0.07 0.41 4.02 -0.94 -2.91 117.16 112.57 3ag1 n TYR 51 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.73 3ag1 n TYR 51 Cb 0.17 -0.37 -0.08 0.00 -0.02 0.00 0.00 39.34 39.04 3ag1 n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ag1 h ARG 52 N 0.06 -0.14 -0.39 -0.72 2.43 -1.13 -3.23 114.38 111.27 3ag1 h ARG 52 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ag1 h ARG 52 Cb 0.48 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3ag1 h ARG 52 CO 0.00 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 178.60 3ag1 n ASN 53 N -5.08 4.54 -4.76 -3.80 3.02 -1.24 -5.00 115.26 102.94 3ag1 n ASN 53 Ca -0.08 -2.93 -0.41 0.00 -0.03 0.00 0.00 54.58 51.13 3ag1 n ASN 53 Cb 0.15 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 3ag1 n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ag1 s TYR 54 N -2.70 2.81 -0.22 3.10 5.04 -1.15 -4.98 117.35 119.25 3ag1 s TYR 54 Ca 0.46 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 56.06 3ag1 s TYR 54 Cb 0.36 -3.97 0.06 0.00 0.35 0.00 0.00 41.96 38.76 3ag1 s TYR 54 CO 0.12 -3.10 -0.02 0.34 -1.34 0.00 0.00 175.55 171.55 3ag1 s ASP 55 N 0.26 3.47 0.16 4.32 -1.08 -1.26 -5.02 116.67 117.52 3ag1 s ASP 55 Ca 0.59 -1.03 -0.05 0.00 -0.52 0.00 0.00 52.55 51.54 3ag1 s ASP 55 Cb -0.45 -0.96 0.02 0.00 -1.46 0.00 0.00 42.92 40.06 3ag1 s ASP 55 CO 0.50 -0.26 1.42 0.77 0.52 0.00 0.00 175.17 178.12 3ag1 h SER 56 N 8.07 0.65 -0.46 -0.34 4.64 -1.99 -2.40 113.55 121.71 3ag1 h SER 56 Ca -0.17 -0.40 0.04 0.00 -0.47 0.00 0.00 61.79 60.78 3ag1 h SER 56 Cb 1.09 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 3ag1 h SER 56 CO 0.38 1.15 0.23 0.24 -0.87 0.00 0.00 176.83 177.97 3ag1 h MET 57 N 0.39 0.45 -0.31 4.77 2.86 -1.99 -1.02 114.93 120.08 3ag1 h MET 57 Ca -0.02 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3ag1 h MET 57 Cb 1.27 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 3ag1 h MET 57 CO 0.13 0.30 -0.04 -0.22 1.06 0.00 0.00 176.91 178.14 3ag1 h LYS 58 N 0.46 0.04 -0.72 1.72 3.64 -1.97 0.21 116.57 119.94 3ag1 h LYS 58 Ca 0.20 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ag1 h LYS 58 Cb 0.10 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3ag1 h LYS 58 CO -0.14 0.03 0.47 0.22 -2.27 0.00 0.00 179.45 177.76 3ag1 h ASP 59 N 0.04 0.78 -0.17 4.20 -0.00 -1.22 1.00 116.42 121.06 3ag1 h ASP 59 Ca 0.15 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.13 3ag1 h ASP 59 Cb 0.22 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.36 3ag1 h ASP 59 CO -0.29 0.55 -0.04 0.15 -0.00 0.00 0.00 179.24 179.62 3ag1 h PHE 60 N 0.93 0.37 -0.24 0.28 3.04 -0.92 -1.94 116.94 118.46 3ag1 h PHE 60 Ca 0.28 -0.08 0.01 0.00 3.98 0.00 0.00 57.97 62.17 3ag1 h PHE 60 Cb -0.04 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 3ag1 h PHE 60 CO -0.03 0.59 0.12 1.49 -2.02 0.00 0.00 178.31 178.46 3ag1 h GLU 61 N 0.04 0.25 -1.04 1.11 4.57 -0.13 0.27 114.58 119.65 3ag1 h GLU 61 Ca 0.04 -0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.49 3ag1 h GLU 61 Cb 0.47 -0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.88 3ag1 h GLU 61 CO 0.02 0.16 0.64 0.93 -1.18 0.00 0.00 179.01 179.58 3ag1 h GLU 62 N 0.26 0.42 0.06 1.92 5.08 -0.79 -2.17 114.58 119.35 3ag1 h GLU 62 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3ag1 h GLU 62 Cb 0.02 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ag1 h GLU 62 CO -0.06 0.28 -0.43 0.52 -1.00 0.00 0.00 179.01 178.32 3ag1 h MET 63 N 0.43 0.12 -0.55 2.33 2.86 0.19 -2.98 114.93 117.33 3ag1 h MET 63 Ca 0.65 -0.20 0.11 0.00 -2.06 0.00 0.00 59.70 58.20 3ag1 h MET 63 Cb 1.50 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 33.14 3ag1 h MET 63 CO -0.42 1.10 -0.06 -0.09 1.06 0.00 0.00 176.91 178.49 3ag1 h ARG 64 N -0.74 0.06 -0.03 1.72 2.43 -0.65 -0.74 114.38 116.43 3ag1 h ARG 64 Ca -0.08 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3ag1 h ARG 64 Cb 1.28 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3ag1 h ARG 64 CO 0.05 0.04 0.04 0.87 -1.51 0.00 0.00 179.97 179.45 3ag1 h LYS 65 N 0.06 0.00 -0.01 0.20 1.57 -1.42 0.33 116.57 117.31 3ag1 h LYS 65 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3ag1 h LYS 65 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3ag1 h LYS 65 CO -0.51 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 178.23 3ag1 n ALA 66 N -2.28 2.83 -0.95 3.86 0.00 -0.30 -4.92 120.51 118.76 3ag1 n ALA 66 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ag1 n ALA 66 Cb 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3ag1 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag1 n GLY 67 N 1.28 0.57 0.22 0.00 0.00 0.11 -4.96 105.19 102.40 3ag1 n GLY 67 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3ag1 n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ag1 h ILE 68 N 0.00 1.18 -4.16 -0.61 3.07 -1.76 -3.45 117.51 111.78 3ag1 h ILE 68 Ca 0.00 -0.81 -0.47 0.00 1.55 0.00 0.00 64.86 65.13 3ag1 h ILE 68 Cb 0.00 1.34 0.03 0.00 -0.27 0.00 0.00 36.82 37.92 3ag1 h ILE 68 CO 0.00 0.24 0.37 -0.36 -1.05 0.00 0.00 178.15 177.35 3ag1 s PHE 69 N -4.60 3.20 -0.15 0.16 0.40 -1.26 -4.99 117.98 110.73 3ag1 s PHE 69 Ca -0.04 1.52 0.02 0.00 -0.60 0.00 0.00 56.93 57.83 3ag1 s PHE 69 Cb 0.15 -2.92 -0.23 0.00 0.51 0.00 0.00 43.02 40.53 3ag1 s PHE 69 CO 0.72 -0.67 0.24 0.94 0.70 0.00 0.00 175.22 177.15 3ag1 n GLN 70 N -1.50 0.70 0.00 0.44 7.27 -1.26 -4.51 117.38 118.52 3ag1 n GLN 70 Ca 0.08 0.21 0.13 0.00 0.07 0.00 0.00 57.00 57.49 3ag1 n GLN 70 Cb 0.53 -1.66 0.27 0.00 2.41 0.00 0.00 30.24 31.79 3ag1 n GLN 70 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3ag1 n SER 71 N -3.26 2.17 -3.36 1.69 3.41 -1.26 -4.79 113.62 108.22 3ag1 n SER 71 Ca -0.33 -1.67 -0.12 0.00 -0.26 0.00 0.00 58.87 56.50 3ag1 n SER 71 Cb 1.05 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.98 3ag1 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ag1 s ALA 72 N -2.10 -0.92 -2.46 7.33 0.00 -1.26 -5.25 121.76 117.10 3ag1 s ALA 72 Ca 0.30 0.44 0.28 0.00 0.00 0.00 0.00 51.96 52.99 3ag1 s ALA 72 Cb 0.20 -1.76 1.12 0.00 0.00 0.00 0.00 23.12 22.68 3ag1 s ALA 72 CO 0.36 -1.46 1.79 1.63 0.00 0.00 0.00 175.76 178.08