#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s SER 2 N 0.00 -0.55 0.18 0.00 1.04 -1.26 -5.21 113.70 107.91 3ag3 s SER 2 Ca 0.00 0.91 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 3ag3 s SER 2 Cb 0.00 0.92 0.03 0.00 0.10 0.00 0.00 66.02 67.07 3ag3 s SER 2 CO 0.00 -0.31 0.44 0.61 0.98 0.00 0.00 173.24 174.96 3ag3 n GLY 3 N 2.21 1.35 0.00 7.32 0.00 -1.26 -5.22 105.19 109.60 3ag3 n GLY 3 Ca -0.16 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3ag3 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 4 N -0.30 5.26 0.56 -0.02 0.00 -1.26 -5.02 105.19 104.40 3ag3 n GLY 4 Ca -0.04 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3ag3 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 5 N 4.14 0.65 3.66 -0.02 0.00 -1.26 -5.07 105.19 107.30 3ag3 n GLY 5 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ag3 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ag3 s VAL 6 N -2.32 5.03 0.84 1.61 1.01 -1.26 -5.09 120.40 120.21 3ag3 s VAL 6 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3ag3 s VAL 6 Cb 0.00 -3.29 0.10 0.00 0.00 0.00 0.00 36.38 33.19 3ag3 s VAL 6 CO 0.00 0.44 1.15 -2.16 0.00 0.00 0.00 175.10 174.52 3ag3 s PRO 7 N 0.49 1.58 0.27 2.72 0.04 -1.26 -5.04 135.00 133.80 3ag3 s PRO 7 Ca 0.05 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.66 3ag3 s PRO 7 Cb -0.12 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3ag3 s PRO 7 CO 0.00 -2.20 0.27 0.95 0.04 0.00 0.00 177.00 176.06 3ag3 s THR 8 N -2.56 4.41 0.34 1.26 -4.23 -1.26 -4.98 115.64 108.61 3ag3 s THR 8 Ca 0.67 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 3ag3 s THR 8 Cb -0.23 -3.46 0.29 0.00 1.34 0.00 0.00 72.50 70.44 3ag3 s THR 8 CO 0.54 -0.30 1.94 0.44 -0.54 0.00 0.00 174.62 176.71 3ag3 h ASP 9 N 1.33 0.77 -0.95 3.99 3.32 -1.96 0.01 116.42 122.94 3ag3 h ASP 9 Ca -0.48 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.68 3ag3 h ASP 9 Cb 1.24 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 3ag3 h ASP 9 CO 0.60 0.50 0.58 -0.08 -1.72 0.00 0.00 179.24 179.12 3ag3 h GLU 10 N 0.88 0.92 0.07 3.56 4.57 -1.94 0.33 114.58 122.96 3ag3 h GLU 10 Ca 0.34 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 58.21 3ag3 h GLU 10 Cb 0.22 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3ag3 h GLU 10 CO -0.12 0.61 -1.10 0.93 -1.18 0.00 0.00 179.01 178.15 3ag3 h GLU 11 N 0.95 0.40 0.00 1.92 5.08 -1.81 -3.42 114.58 117.70 3ag3 h GLU 11 Ca 0.46 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ag3 h GLU 11 Cb 0.42 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3ag3 h GLU 11 CO -0.25 1.20 -0.43 0.94 -1.00 0.00 0.00 179.01 179.47 3ag3 n GLN 12 N -3.69 2.97 -1.65 2.33 7.27 -0.06 -4.98 117.38 119.57 3ag3 n GLN 12 Ca -0.09 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.57 3ag3 n GLN 12 Cb 0.93 -0.65 0.01 0.00 2.41 0.00 0.00 30.24 32.93 3ag3 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ag3 n ALA 13 N -0.88 0.66 -2.39 1.69 0.00 0.06 -5.00 120.51 114.64 3ag3 n ALA 13 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 3ag3 n ALA 13 Cb 0.00 -2.16 -0.07 0.00 0.00 0.00 0.00 19.45 17.21 3ag3 n ALA 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ag3 s THR 14 N -1.21 0.00 0.00 0.00 -1.32 -1.26 -4.67 115.64 107.18 3ag3 s THR 14 Ca 0.61 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 3ag3 s THR 14 Cb -0.55 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 3ag3 s THR 14 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 3ag3 n GLY 15 N -0.60 2.44 0.15 6.08 0.00 -1.26 -1.11 105.19 110.90 3ag3 n GLY 15 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 3ag3 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ag3 h LEU 16 N 0.00 0.27 -0.27 0.99 5.85 -1.99 -2.22 115.31 117.94 3ag3 h LEU 16 Ca 0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ag3 h LEU 16 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3ag3 h LEU 16 CO 0.00 0.89 0.17 -0.08 -0.34 0.00 0.00 178.44 179.08 3ag3 h GLU 17 N 0.15 0.36 -0.66 1.25 4.81 -1.92 -0.30 114.58 118.28 3ag3 h GLU 17 Ca -0.02 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3ag3 h GLU 17 Cb 1.27 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 3ag3 h GLU 17 CO 0.11 0.27 0.41 -0.09 -0.73 0.00 0.00 179.01 178.98 3ag3 h ARG 18 N 0.34 0.79 -0.45 1.92 2.43 -0.82 -1.89 114.38 116.70 3ag3 h ARG 18 Ca 0.10 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3ag3 h ARG 18 Cb 0.00 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 3ag3 h ARG 18 CO -0.02 0.52 0.11 0.93 -1.51 0.00 0.00 179.97 180.01 3ag3 h GLU 19 N 0.81 0.25 -0.60 0.20 5.08 -0.90 0.90 114.58 120.32 3ag3 h GLU 19 Ca 0.26 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3ag3 h GLU 19 Cb 0.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3ag3 h GLU 19 CO -0.10 0.17 0.17 0.28 -1.00 0.00 0.00 179.01 178.52 3ag3 h VAL 20 N 0.26 1.24 -0.16 3.13 2.07 -0.93 -1.05 116.25 120.81 3ag3 h VAL 20 Ca 0.22 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3ag3 h VAL 20 Cb 0.26 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ag3 h VAL 20 CO -0.26 0.32 -0.01 -0.03 0.02 0.00 0.00 177.57 177.60 3ag3 h MET 21 N 0.89 0.29 -0.44 1.57 1.85 -0.46 -0.89 114.93 117.75 3ag3 h MET 21 Ca 0.20 -0.10 -0.13 0.00 -0.61 0.00 0.00 59.70 59.06 3ag3 h MET 21 Cb 0.29 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 3ag3 h MET 21 CO -0.00 0.53 -0.21 -0.07 -0.40 0.00 0.00 176.91 176.75 3ag3 h LEU 22 N 0.03 0.95 -0.75 3.39 3.38 -0.79 -1.86 115.31 119.67 3ag3 h LEU 22 Ca 0.04 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.63 3ag3 h LEU 22 Cb 0.40 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3ag3 h LEU 22 CO 0.01 1.15 0.48 0.00 0.09 0.00 0.00 178.44 180.17 3ag3 h ALA 23 N 0.84 0.96 -0.44 1.53 0.00 -1.14 -2.66 119.26 118.35 3ag3 h ALA 23 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ag3 h ALA 23 Cb 0.79 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3ag3 h ALA 23 CO 0.07 0.31 0.29 0.00 0.00 0.00 0.00 179.25 179.92 3ag3 h ALA 24 N 1.29 0.55 -0.78 0.00 0.00 -0.77 0.18 119.26 119.74 3ag3 h ALA 24 Ca 0.29 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.33 3ag3 h ALA 24 Cb -0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.42 3ag3 h ALA 24 CO -0.08 0.00 -0.11 -0.09 0.00 0.00 0.00 179.25 178.97 3ag3 h ARG 25 N 0.59 0.03 -0.27 0.00 2.43 -1.08 0.96 114.38 117.05 3ag3 h ARG 25 Ca 0.16 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3ag3 h ARG 25 Cb -0.07 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3ag3 h ARG 25 CO -0.03 0.02 0.00 1.63 -1.51 0.00 0.00 179.97 180.08 3ag3 n LYS 26 N -5.45 0.99 -2.47 0.20 5.02 -0.75 -4.87 118.16 110.83 3ag3 n LYS 26 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 3ag3 n LYS 26 Cb 0.44 -1.13 -0.01 0.00 -0.02 0.00 0.00 35.03 34.31 3ag3 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag3 n GLY 27 N 0.36 -0.50 3.85 0.72 0.00 0.33 -5.01 105.19 104.94 3ag3 n GLY 27 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3ag3 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag3 s GLN 28 N -5.07 2.58 -0.39 1.61 -0.21 0.56 -4.98 119.66 113.76 3ag3 s GLN 28 Ca 0.02 -1.46 0.09 0.00 0.02 0.00 0.00 55.36 54.03 3ag3 s GLN 28 Cb -0.01 -2.38 0.27 0.00 1.00 0.00 0.00 33.01 31.89 3ag3 s GLN 28 CO 0.02 -0.05 0.57 -3.47 -2.12 0.00 0.00 175.29 170.24 3ag3 n ASP 29 N -1.43 0.35 0.26 5.90 2.03 -1.26 -3.75 116.55 118.65 3ag3 n ASP 29 Ca 0.01 -2.77 0.15 0.00 0.52 0.00 0.00 54.79 52.69 3ag3 n ASP 29 Cb 0.61 -0.64 0.63 0.00 -0.72 0.00 0.00 41.12 41.00 3ag3 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ag3 h PRO 30 N 3.78 0.00 -0.45 -0.67 0.13 -1.96 -2.70 132.00 130.13 3ag3 h PRO 30 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3ag3 h PRO 30 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 3ag3 h PRO 30 CO 0.47 0.09 0.01 0.66 -0.23 0.00 0.00 178.00 179.00 3ag3 n TYR 31 N -3.25 1.61 -3.48 1.56 4.02 -1.26 -4.98 117.16 111.38 3ag3 n TYR 31 Ca 0.00 -0.83 -0.21 0.00 -0.01 0.00 0.00 57.90 56.85 3ag3 n TYR 31 Cb 0.33 -0.44 0.07 0.00 -0.02 0.00 0.00 39.34 39.29 3ag3 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ag3 n ASN 32 N 0.07 -5.57 0.18 7.72 3.02 -1.02 -4.88 115.26 114.78 3ag3 n ASN 32 Ca 0.26 -0.50 0.07 0.00 -0.03 0.00 0.00 54.58 54.38 3ag3 n ASN 32 Cb 1.08 -4.64 0.11 0.00 -0.61 0.00 0.00 39.78 35.72 3ag3 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ag3 h ILE 33 N -2.39 0.45 -2.71 2.41 2.04 -1.94 -3.46 117.51 111.91 3ag3 h ILE 33 Ca -0.52 -1.61 -0.59 0.00 1.00 0.00 0.00 64.86 63.14 3ag3 h ILE 33 Cb 1.33 2.20 -0.10 0.00 -0.74 0.00 0.00 36.82 39.51 3ag3 h ILE 33 CO 0.50 0.25 -0.64 -0.76 0.00 0.00 0.00 178.15 177.51 3ag3 s LEU 34 N -6.35 3.36 -0.06 1.44 1.43 -1.26 -5.08 118.68 112.15 3ag3 s LEU 34 Ca 0.05 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 3ag3 s LEU 34 Cb 0.06 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3ag3 s LEU 34 CO 0.70 0.07 1.04 0.00 0.23 0.00 0.00 176.35 178.39 3ag3 s ALA 35 N -1.85 3.34 0.60 4.21 0.00 -1.26 -5.01 121.76 121.79 3ag3 s ALA 35 Ca 0.29 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 3ag3 s ALA 35 Cb -0.09 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3ag3 s ALA 35 CO 0.19 -0.51 1.20 -1.25 0.00 0.00 0.00 175.76 175.40 3ag3 s PRO 36 N 1.69 2.91 -0.06 0.00 0.04 -1.26 -5.01 135.00 133.31 3ag3 s PRO 36 Ca 0.51 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 3ag3 s PRO 36 Cb -0.21 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3ag3 s PRO 36 CO 0.22 -1.24 0.33 0.21 0.04 0.00 0.00 177.00 176.56 3ag3 s LYS 37 N -3.40 3.91 0.63 4.56 2.47 -1.26 -5.06 119.74 121.59 3ag3 s LYS 37 Ca 0.77 0.24 -0.15 0.00 -1.56 0.00 0.00 55.97 55.26 3ag3 s LYS 37 Cb -0.30 -3.27 -0.01 0.00 -1.46 0.00 0.00 37.83 32.79 3ag3 s LYS 37 CO 0.34 0.59 1.09 0.00 0.16 0.00 0.00 175.35 177.53 3ag3 s ALA 38 N -0.67 2.57 0.25 3.13 0.00 -1.26 -5.02 121.76 120.75 3ag3 s ALA 38 Ca 0.21 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3ag3 s ALA 38 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3ag3 s ALA 38 CO 0.09 -1.11 0.00 0.25 0.00 0.00 0.00 175.76 174.99 3ag3 n THR 39 N -2.27 0.00 0.29 0.00 -2.24 -1.26 -4.97 114.28 103.83 3ag3 n THR 39 Ca 0.10 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.06 3ag3 n THR 39 Cb 0.52 -1.25 0.74 0.00 -2.10 0.00 0.00 70.33 68.24 3ag3 n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ag3 h SER 40 N 0.00 0.00 -0.34 3.42 4.64 -1.92 -3.47 113.55 115.87 3ag3 h SER 40 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3ag3 h SER 40 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3ag3 h SER 40 CO 0.00 0.00 -0.13 0.61 -0.87 0.00 0.00 176.83 176.44 3ag3 n GLY 41 N -0.09 0.93 3.85 -0.77 0.00 -0.78 -4.94 105.19 103.39 3ag3 n GLY 41 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 3ag3 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag3 s THR 42 N -2.21 1.93 0.41 2.61 -4.23 -1.18 0.27 115.64 113.24 3ag3 s THR 42 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 3ag3 s THR 42 Cb 0.00 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.14 3ag3 s THR 42 CO 0.00 0.00 1.97 0.50 -0.54 0.00 0.00 174.62 176.55 3ag3 h LYS 43 N -1.71 0.21 0.00 3.99 3.64 -1.95 -1.87 116.57 118.88 3ag3 h LYS 43 Ca -0.45 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 3ag3 h LYS 43 Cb 1.27 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3ag3 h LYS 43 CO 0.44 0.31 -0.64 0.93 -2.27 0.00 0.00 179.45 178.22 3ag3 h GLU 44 N 0.21 0.00 -2.04 1.90 3.07 -2.02 -3.38 114.58 112.32 3ag3 h GLU 44 Ca 0.05 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.37 3ag3 h GLU 44 Cb 0.27 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.79 3ag3 h GLU 44 CO 0.01 0.46 -1.05 -3.47 -1.40 0.00 0.00 179.01 173.56 3ag3 n ASP 45 N -3.17 1.14 -4.78 1.42 4.64 -0.86 -5.12 116.55 109.83 3ag3 n ASP 45 Ca 0.00 -2.97 -0.34 0.00 -1.38 0.00 0.00 54.79 50.10 3ag3 n ASP 45 Cb 0.75 -0.63 0.01 0.00 -1.04 0.00 0.00 41.12 40.21 3ag3 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ag3 s PRO 46 N -1.99 3.21 0.24 -0.67 0.04 -0.76 -1.86 135.00 133.22 3ag3 s PRO 46 Ca 0.39 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.56 3ag3 s PRO 46 Cb 0.25 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.68 3ag3 s PRO 46 CO -0.09 -0.93 1.59 -0.80 0.04 0.00 0.00 177.00 176.81 3ag3 s ASN 47 N -2.23 6.46 -0.26 6.66 0.01 -0.39 -4.80 114.94 120.40 3ag3 s ASN 47 Ca 0.69 2.82 -0.11 0.00 -0.71 0.00 0.00 52.86 55.55 3ag3 s ASN 47 Cb -0.21 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.79 3ag3 s ASN 47 CO 0.33 -0.87 0.17 -0.76 -1.51 0.00 0.00 177.10 174.46 3ag3 s LEU 48 N 0.19 4.06 -0.29 0.60 1.02 -1.26 0.08 118.68 123.08 3ag3 s LEU 48 Ca 0.66 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.86 3ag3 s LEU 48 Cb -0.46 -2.11 0.06 0.00 0.02 0.00 0.00 46.19 43.69 3ag3 s LEU 48 CO 0.41 0.01 -0.04 -0.69 0.02 0.00 0.00 176.35 176.06 3ag3 s VAL 49 N 1.42 2.66 0.43 -1.59 1.01 -0.00 -4.93 120.40 119.40 3ag3 s VAL 49 Ca 0.07 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.29 3ag3 s VAL 49 Cb -0.15 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 3ag3 s VAL 49 CO 0.08 -0.11 1.07 -2.16 0.00 0.00 0.00 175.10 173.98 3ag3 s PRO 50 N 1.18 3.99 0.00 2.72 0.05 -1.26 -0.49 135.00 141.19 3ag3 s PRO 50 Ca -0.06 1.54 -0.06 0.00 0.05 0.00 0.00 61.00 62.48 3ag3 s PRO 50 Cb -0.20 -2.41 -0.00 0.00 0.05 0.00 0.00 34.50 31.94 3ag3 s PRO 50 CO -0.03 -0.30 0.10 0.45 0.05 0.00 0.00 177.00 177.27 3ag3 s SER 51 N -1.61 0.05 0.00 6.66 0.15 -1.00 -4.84 113.70 113.12 3ag3 s SER 51 Ca 0.61 -0.22 0.28 0.00 0.70 0.00 0.00 55.95 57.32 3ag3 s SER 51 Cb -0.22 0.19 1.51 0.00 -1.71 0.00 0.00 66.02 65.79 3ag3 s SER 51 CO 0.27 -0.32 1.99 2.30 1.20 0.00 0.00 173.24 178.68 3ag3 n ILE 52 N 1.63 0.01 -3.22 6.45 -5.35 -1.26 0.10 119.36 117.72 3ag3 n ILE 52 Ca -0.22 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 3ag3 n ILE 52 Cb 0.56 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 3ag3 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ag3 n THR 53 N -0.68 0.00 1.07 7.28 -2.24 -1.26 -4.62 114.28 113.84 3ag3 n THR 53 Ca 0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 3ag3 n THR 53 Cb 0.15 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 68.71 3ag3 n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag3 n ASN 54 N -0.49 2.25 -3.49 3.42 4.13 -1.26 -4.68 115.26 115.14 3ag3 n ASN 54 Ca 0.00 -1.77 -0.16 0.00 1.68 0.00 0.00 54.58 54.34 3ag3 n ASN 54 Cb 0.00 -0.08 -0.05 0.00 -1.54 0.00 0.00 39.78 38.11 3ag3 n ASN 54 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3ag3 s LYS 55 N -1.83 1.13 -0.08 3.52 -2.85 -1.26 -0.80 119.74 117.58 3ag3 s LYS 55 Ca 0.34 -0.03 -0.10 0.00 -1.00 0.00 0.00 55.97 55.18 3ag3 s LYS 55 Cb 0.20 0.53 0.02 0.00 -2.06 0.00 0.00 37.83 36.52 3ag3 s LYS 55 CO 0.30 -0.41 0.27 0.50 0.10 0.00 0.00 175.35 176.10 3ag3 s ARG 56 N -2.18 0.39 0.11 1.78 3.52 -0.14 -4.96 118.95 117.48 3ag3 s ARG 56 Ca -0.06 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 3ag3 s ARG 56 Cb -0.00 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.50 3ag3 s ARG 56 CO 0.01 -0.07 1.19 0.42 -0.81 0.00 0.00 175.30 176.04 3ag3 s ILE 57 N -0.23 3.85 -0.08 4.11 1.01 -1.26 -0.38 121.20 128.23 3ag3 s ILE 57 Ca -0.03 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.04 3ag3 s ILE 57 Cb -0.03 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3ag3 s ILE 57 CO 0.01 0.16 -0.05 -0.69 0.00 0.00 0.00 174.94 174.38 3ag3 s VAL 58 N 0.56 3.89 -0.14 2.92 1.01 0.80 -4.93 120.40 124.51 3ag3 s VAL 58 Ca 0.56 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3ag3 s VAL 58 Cb -0.31 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3ag3 s VAL 58 CO 0.32 0.60 -0.02 -0.83 0.00 0.00 0.00 175.10 175.16 3ag3 s GLY 59 N -0.80 1.75 -0.20 4.51 0.00 -1.26 -1.18 107.32 110.15 3ag3 s GLY 59 Ca 0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 3ag3 s GLY 59 CO 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 173.10 172.91 3ag3 s ILE 61 N 1.19 5.06 0.25 0.00 1.01 -1.26 -1.09 121.20 126.36 3ag3 s ILE 61 Ca 0.02 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.28 3ag3 s ILE 61 Cb -0.14 -4.43 0.11 0.00 0.01 0.00 0.00 42.46 38.00 3ag3 s ILE 61 CO -0.01 -1.02 1.74 0.00 0.00 0.00 0.00 174.94 175.65 3ag3 s GLU 63 N -4.98 0.90 0.29 0.00 2.02 -1.26 -5.05 118.70 110.63 3ag3 s GLU 63 Ca -0.10 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 3ag3 s GLU 63 Cb 0.14 -0.91 -0.13 0.00 0.10 0.00 0.00 34.13 33.34 3ag3 s GLU 63 CO 0.82 0.22 1.32 -1.91 0.02 0.00 0.00 175.26 175.72 3ag3 n GLU 64 N 1.80 2.03 -0.11 1.61 2.13 -1.26 -1.45 120.64 125.38 3ag3 n GLU 64 Ca -0.19 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3ag3 n GLU 64 Cb 0.55 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.95 3ag3 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ag3 n ASP 65 N 1.39 0.00 -4.54 4.31 10.43 -1.26 -4.99 116.55 121.90 3ag3 n ASP 65 Ca 0.08 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.01 3ag3 n ASP 65 Cb 0.34 -0.18 -0.00 0.00 1.84 0.00 0.00 41.12 43.12 3ag3 n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ag3 n ASN 66 N 0.00 0.40 0.04 -2.24 4.13 -0.53 -4.88 115.26 112.18 3ag3 n ASN 66 Ca 0.00 1.04 0.11 0.00 1.68 0.00 0.00 54.58 57.41 3ag3 n ASN 66 Cb 0.00 -1.23 -0.08 0.00 -1.54 0.00 0.00 39.78 36.93 3ag3 n ASN 66 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ag3 n SER 67 N 1.05 0.43 -4.67 6.41 3.41 -1.26 -4.83 113.62 114.16 3ag3 n SER 67 Ca 0.11 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 3ag3 n SER 67 Cb 0.36 1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 3ag3 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ag3 s THR 68 N -3.40 4.81 -0.10 6.66 2.01 -1.26 -5.05 115.64 119.32 3ag3 s THR 68 Ca -0.03 1.81 -0.03 0.00 0.31 0.00 0.00 61.69 63.75 3ag3 s THR 68 Cb 0.12 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3ag3 s THR 68 CO 0.85 -0.03 0.02 -0.69 -0.69 0.00 0.00 174.62 174.08 3ag3 s VAL 69 N 2.36 4.45 -0.23 3.82 1.01 -1.26 -4.65 120.40 125.90 3ag3 s VAL 69 Ca 0.42 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 3ag3 s VAL 69 Cb -0.17 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3ag3 s VAL 69 CO 0.12 0.60 0.10 -0.63 0.00 0.00 0.00 175.10 175.29 3ag3 s ILE 70 N -0.79 4.84 -0.08 2.22 -1.09 -0.25 -4.88 121.20 121.17 3ag3 s ILE 70 Ca 0.12 -0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 3ag3 s ILE 70 Cb -0.12 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3ag3 s ILE 70 CO 0.02 0.37 -0.14 0.26 -1.23 0.00 0.00 174.94 174.23 3ag3 s TRP 71 N 1.05 2.74 -0.06 3.97 0.52 -1.26 0.51 118.94 126.41 3ag3 s TRP 71 Ca 0.05 -0.33 -0.30 0.00 0.02 0.00 0.00 56.10 55.54 3ag3 s TRP 71 Cb -0.14 -1.71 0.09 0.00 -1.15 0.00 0.00 33.47 30.56 3ag3 s TRP 71 CO 0.04 0.04 0.77 -0.59 0.02 0.00 0.00 176.95 177.23 3ag3 s PHE 72 N -0.34 -0.56 0.12 -1.98 -0.12 -0.32 -4.99 117.98 109.79 3ag3 s PHE 72 Ca 0.03 0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 57.51 3ag3 s PHE 72 Cb -0.13 0.44 -0.07 0.00 -0.63 0.00 0.00 43.02 42.63 3ag3 s PHE 72 CO 0.02 -0.55 1.25 -1.58 -0.05 0.00 0.00 175.22 174.31 3ag3 s TRP 73 N -1.43 3.38 -0.22 3.49 0.52 -1.26 -0.14 118.94 123.27 3ag3 s TRP 73 Ca -0.07 1.26 -0.06 0.00 0.02 0.00 0.00 56.10 57.25 3ag3 s TRP 73 Cb -0.00 -3.50 -0.02 0.00 -1.15 0.00 0.00 33.47 28.80 3ag3 s TRP 73 CO 0.05 -1.55 0.02 -1.17 0.02 0.00 0.00 176.95 174.32 3ag3 s LEU 74 N 0.56 3.27 0.14 2.99 2.96 0.49 -4.94 118.68 124.14 3ag3 s LEU 74 Ca 0.58 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 3ag3 s LEU 74 Cb -0.33 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3ag3 s LEU 74 CO 0.33 0.02 0.09 -1.00 -1.32 0.00 0.00 176.35 174.47 3ag3 s HIS 75 N 1.27 3.10 0.19 5.38 3.76 -1.26 -0.97 115.29 126.77 3ag3 s HIS 75 Ca 0.04 -0.01 -0.33 0.00 -0.15 0.00 0.00 55.06 54.61 3ag3 s HIS 75 Cb -0.15 -1.52 -0.14 0.00 1.11 0.00 0.00 32.58 31.88 3ag3 s HIS 75 CO 0.01 0.52 1.37 1.17 -0.85 0.00 0.00 174.74 176.96 3ag3 n LYS 76 N -0.04 1.74 0.00 1.40 4.81 0.02 -4.53 118.16 121.57 3ag3 n LYS 76 Ca -0.09 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3ag3 n LYS 76 Cb 0.54 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3ag3 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag3 n GLY 77 N 2.41 0.46 3.73 3.14 0.00 -1.26 -5.06 105.19 108.61 3ag3 n GLY 77 Ca 0.14 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 3ag3 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag3 s GLU 78 N -1.30 2.61 0.56 1.61 2.12 -1.26 -4.69 118.70 118.36 3ag3 s GLU 78 Ca 0.00 2.04 -0.20 0.00 0.36 0.00 0.00 54.97 57.16 3ag3 s GLU 78 Cb 0.00 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.49 3ag3 s GLU 78 CO 0.00 -1.54 1.23 0.00 -0.54 0.00 0.00 175.26 174.41 3ag3 s ALA 79 N -1.42 2.68 0.28 6.30 0.00 -1.26 -4.91 121.76 123.43 3ag3 s ALA 79 Ca 0.82 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.95 3ag3 s ALA 79 Cb -0.37 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 3ag3 s ALA 79 CO 0.39 -1.12 -0.08 -0.65 0.00 0.00 0.00 175.76 174.30 3ag3 s GLN 80 N -3.12 2.02 0.02 0.00 -0.21 0.34 -4.91 119.66 113.80 3ag3 s GLN 80 Ca 0.74 -1.61 0.04 0.00 0.02 0.00 0.00 55.36 54.55 3ag3 s GLN 80 Cb -0.32 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 3ag3 s GLN 80 CO 0.37 0.31 -0.09 1.03 -2.12 0.00 0.00 175.29 174.79 3ag3 s ARG 81 N -3.62 2.42 0.19 2.91 0.52 -1.26 -0.40 118.95 119.72 3ag3 s ARG 81 Ca 0.31 -0.80 -0.33 0.00 -0.52 0.00 0.00 55.73 54.39 3ag3 s ARG 81 Cb -0.05 -2.42 -0.14 0.00 0.52 0.00 0.00 34.95 32.86 3ag3 s ARG 81 CO 0.18 0.58 1.47 0.00 0.02 0.00 0.00 175.30 177.55 3ag3 n PRO 83 N 2.65 0.05 -0.13 0.00 -0.04 -1.26 -0.85 135.00 135.42 3ag3 n PRO 83 Ca 0.14 0.18 -0.28 0.00 -0.04 0.00 0.00 63.50 63.51 3ag3 n PRO 83 Cb 0.29 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 3ag3 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ag3 n SER 84 N -1.46 1.95 -0.00 3.54 2.88 -1.26 -4.76 113.62 114.50 3ag3 n SER 84 Ca 0.05 0.32 0.04 0.00 -1.33 0.00 0.00 58.87 57.95 3ag3 n SER 84 Cb 0.19 -0.82 -0.06 0.00 -0.75 0.00 0.00 64.21 62.78 3ag3 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag3 n GLY 86 N 1.42 1.17 3.76 0.00 0.00 -0.03 -4.96 105.19 106.56 3ag3 n GLY 86 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3ag3 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag3 s THR 87 N -3.53 2.65 0.15 2.61 -4.23 -1.26 -4.30 115.64 107.72 3ag3 s THR 87 Ca 0.00 0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 3ag3 s THR 87 Cb 0.00 -3.28 -0.07 0.00 1.34 0.00 0.00 72.50 70.49 3ag3 s THR 87 CO 0.00 0.03 0.49 -1.00 -0.54 0.00 0.00 174.62 173.60 3ag3 s HIS 88 N -1.37 3.53 0.02 3.99 0.09 0.14 -0.56 115.29 121.13 3ag3 s HIS 88 Ca 0.63 0.87 0.01 0.00 -0.00 0.00 0.00 55.06 56.58 3ag3 s HIS 88 Cb -0.35 -2.24 -0.02 0.00 -0.00 0.00 0.00 32.58 29.97 3ag3 s HIS 88 CO 0.44 0.41 -0.05 0.71 -0.00 0.00 0.00 174.74 176.24 3ag3 s TYR 89 N -1.57 0.47 -0.02 1.40 2.02 0.47 -1.26 117.35 118.86 3ag3 s TYR 89 Ca 0.40 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3ag3 s TYR 89 Cb -0.13 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 3ag3 s TYR 89 CO 0.20 -0.07 0.00 0.21 -1.57 0.00 0.00 175.55 174.32 3ag3 s LYS 90 N -0.98 0.18 0.14 -0.62 2.20 0.11 -0.50 119.74 120.27 3ag3 s LYS 90 Ca -0.07 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 3ag3 s LYS 90 Cb -0.07 -0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 35.86 3ag3 s LYS 90 CO -0.00 -0.08 0.97 -1.17 -0.36 0.00 0.00 175.35 174.70 3ag3 s LEU 91 N 0.68 4.53 -0.58 5.43 2.96 -1.26 -0.82 118.68 129.61 3ag3 s LEU 91 Ca -0.06 1.84 0.04 0.00 -0.22 0.00 0.00 54.13 55.73 3ag3 s LEU 91 Cb -0.09 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.15 3ag3 s LEU 91 CO -0.01 -0.03 0.34 0.68 -1.32 0.00 0.00 176.35 176.00 3ag3 s VAL 92 N -0.24 2.73 0.51 1.68 -7.23 0.36 -4.76 120.40 113.45 3ag3 s VAL 92 Ca 0.46 -3.60 -0.19 0.00 -1.81 0.00 0.00 61.98 56.84 3ag3 s VAL 92 Cb -0.24 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 33.76 3ag3 s VAL 92 CO 0.31 -0.86 1.04 -2.16 -0.31 0.00 0.00 175.10 173.11 3ag3 s PRO 93 N -0.64 3.69 0.00 4.82 0.05 -1.26 -2.38 135.00 139.28 3ag3 s PRO 93 Ca 0.19 1.32 0.00 0.00 0.05 0.00 0.00 61.00 62.57 3ag3 s PRO 93 Cb -0.19 -2.08 0.00 0.00 0.05 0.00 0.00 34.50 32.28 3ag3 s PRO 93 CO -0.05 -0.52 0.00 0.72 0.05 0.00 0.00 177.00 177.20 3ag3 n HIS 94 N -1.21 0.00 0.00 0.56 8.25 0.28 -4.85 115.22 118.25 3ag3 n HIS 94 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3ag3 n HIS 94 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3ag3 n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ag3 n GLN 95 N -1.44 0.00 0.00 -0.41 3.00 -1.26 -4.75 117.38 112.52 3ag3 n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3ag3 n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3ag3 n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3ag3 n LEU 96 N 0.00 0.00 -4.34 1.08 7.94 -1.26 -4.90 117.00 115.52 3ag3 n LEU 96 Ca 0.00 0.00 -0.60 0.00 -1.11 0.00 0.00 56.01 54.30 3ag3 n LEU 96 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 3ag3 n LEU 96 CO 0.00 0.00 1.67 0.00 -1.11 0.00 0.00 177.39 177.95 3ag3 n ALA 97 N 10.17 0.15 0.11 1.96 0.00 -1.26 -5.20 120.51 126.44 3ag3 n ALA 97 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.65 3ag3 n ALA 97 Cb 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 19.45 17.38 3ag3 n ALA 97 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22