#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s SER 2 N 0.00 -0.65 0.13 0.00 1.04 -1.26 -5.19 113.70 107.77 3ag1 s SER 2 Ca 0.00 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 57.22 3ag1 s SER 2 Cb 0.00 1.71 0.04 0.00 0.10 0.00 0.00 66.02 67.87 3ag1 s SER 2 CO 0.00 -0.13 0.55 0.61 0.98 0.00 0.00 173.24 175.25 3ag1 n GLY 3 N 4.94 1.02 0.00 7.32 0.00 -1.26 -5.20 105.19 112.01 3ag1 n GLY 3 Ca -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3ag1 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 4 N -0.38 3.02 0.01 -0.02 0.00 -1.26 -5.01 105.19 101.56 3ag1 n GLY 4 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3ag1 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 5 N 5.00 0.65 3.55 -0.02 0.00 -1.26 -5.09 105.19 108.03 3ag1 n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3ag1 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ag1 s VAL 6 N -2.01 4.96 0.74 1.61 1.01 -1.26 -5.08 120.40 120.38 3ag1 s VAL 6 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 3ag1 s VAL 6 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 33.09 3ag1 s VAL 6 CO 0.00 0.30 1.15 -2.16 0.00 0.00 0.00 175.10 174.39 3ag1 s PRO 7 N 1.55 2.18 0.35 2.72 0.04 -1.26 -5.03 135.00 135.54 3ag1 s PRO 7 Ca 0.07 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.67 3ag1 s PRO 7 Cb -0.15 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3ag1 s PRO 7 CO 0.07 -1.76 0.51 0.95 0.04 0.00 0.00 177.00 176.81 3ag1 s THR 8 N -2.34 4.26 0.15 1.26 -4.23 -1.26 -4.99 115.64 108.48 3ag1 s THR 8 Ca 0.69 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 60.17 3ag1 s THR 8 Cb -0.24 -3.51 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 3ag1 s THR 8 CO 0.48 -0.24 1.79 0.44 -0.54 0.00 0.00 174.62 176.55 3ag1 h ASP 9 N 0.81 0.31 -0.83 3.99 3.32 -1.96 0.04 116.42 122.11 3ag1 h ASP 9 Ca -0.47 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.78 3ag1 h ASP 9 Cb 1.25 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 3ag1 h ASP 9 CO 0.55 0.23 0.00 -0.08 -1.72 0.00 0.00 179.24 178.22 3ag1 h GLU 10 N 0.40 0.08 -0.03 3.56 4.57 -1.95 0.29 114.58 121.49 3ag1 h GLU 10 Ca 0.13 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.14 3ag1 h GLU 10 Cb 0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3ag1 h GLU 10 CO -0.07 0.05 -0.74 0.93 -1.18 0.00 0.00 179.01 178.01 3ag1 h GLU 11 N 0.08 0.22 0.00 1.92 5.08 -1.86 -3.42 114.58 116.60 3ag1 h GLU 11 Ca 0.46 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3ag1 h GLU 11 Cb 0.85 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3ag1 h GLU 11 CO -0.74 0.86 -0.31 0.94 -1.00 0.00 0.00 179.01 178.75 3ag1 n GLN 12 N -3.77 3.18 -1.79 2.33 7.27 -0.04 -4.98 117.38 119.59 3ag1 n GLN 12 Ca -0.03 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.67 3ag1 n GLN 12 Cb 0.71 -0.56 0.06 0.00 2.41 0.00 0.00 30.24 32.86 3ag1 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ag1 s ALA 13 N -0.85 2.51 0.25 1.69 0.00 0.84 -5.00 121.76 121.20 3ag1 s ALA 13 Ca 0.00 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.24 3ag1 s ALA 13 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3ag1 s ALA 13 CO 0.00 -1.49 0.21 -2.37 0.00 0.00 0.00 175.76 172.11 3ag1 n THR 14 N -1.64 0.00 0.00 0.00 5.66 -1.26 -4.70 114.28 112.34 3ag1 n THR 14 Ca 0.14 -1.81 0.00 0.00 -3.05 0.00 0.00 64.05 59.33 3ag1 n THR 14 Cb 0.47 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 3ag1 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ag1 n GLY 15 N -0.46 1.29 0.37 1.09 0.00 -1.26 -0.28 105.19 105.94 3ag1 n GLY 15 Ca 0.05 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3ag1 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ag1 h LEU 16 N 0.00 0.74 -0.54 0.99 5.85 -1.99 -1.62 115.31 118.73 3ag1 h LEU 16 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ag1 h LEU 16 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3ag1 h LEU 16 CO 0.00 0.42 0.25 -0.08 -0.34 0.00 0.00 178.44 178.69 3ag1 h GLU 17 N 0.81 0.79 -0.33 1.25 4.81 -1.87 0.11 114.58 120.14 3ag1 h GLU 17 Ca 0.41 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3ag1 h GLU 17 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3ag1 h GLU 17 CO -0.17 0.66 0.12 -0.09 -0.73 0.00 0.00 179.01 178.79 3ag1 h ARG 18 N 0.73 0.50 -0.68 1.92 2.43 0.23 -1.81 114.38 117.70 3ag1 h ARG 18 Ca 0.19 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3ag1 h ARG 18 Cb 0.14 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3ag1 h ARG 18 CO -0.02 0.51 0.40 0.93 -1.51 0.00 0.00 179.97 180.28 3ag1 h GLU 19 N 0.38 0.75 -0.20 0.20 5.08 -0.93 0.20 114.58 120.06 3ag1 h GLU 19 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3ag1 h GLU 19 Cb 0.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ag1 h GLU 19 CO -0.01 0.49 0.09 0.28 -1.00 0.00 0.00 179.01 178.87 3ag1 h VAL 20 N 0.77 1.14 -0.39 3.13 2.07 -0.64 -1.67 116.25 120.66 3ag1 h VAL 20 Ca 0.29 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3ag1 h VAL 20 Cb 0.10 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ag1 h VAL 20 CO -0.14 0.13 0.18 -0.03 0.02 0.00 0.00 177.57 177.73 3ag1 h MET 21 N 0.18 0.36 -0.28 1.57 1.85 -0.36 -1.17 114.93 117.08 3ag1 h MET 21 Ca 0.07 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.06 3ag1 h MET 21 Cb 0.13 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 3ag1 h MET 21 CO -0.01 0.24 -0.14 -0.07 -0.40 0.00 0.00 176.91 176.53 3ag1 h LEU 22 N 0.37 0.60 -1.00 3.39 3.38 -0.62 -2.49 115.31 118.95 3ag1 h LEU 22 Ca 0.17 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3ag1 h LEU 22 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3ag1 h LEU 22 CO -0.14 0.88 0.25 0.00 0.09 0.00 0.00 178.44 179.53 3ag1 h ALA 23 N 0.74 1.20 -0.53 1.53 0.00 -1.25 -2.18 119.26 118.77 3ag1 h ALA 23 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ag1 h ALA 23 Cb 0.65 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3ag1 h ALA 23 CO 0.04 0.57 0.25 0.00 0.00 0.00 0.00 179.25 180.12 3ag1 h ALA 24 N 1.32 1.44 -0.20 0.00 0.00 -0.99 -0.58 119.26 120.26 3ag1 h ALA 24 Ca 0.22 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ag1 h ALA 24 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ag1 h ALA 24 CO -0.02 0.44 -0.24 -0.09 0.00 0.00 0.00 179.25 179.35 3ag1 h ARG 25 N 0.75 0.37 -0.55 0.00 2.43 -0.94 -0.77 114.38 115.67 3ag1 h ARG 25 Ca 0.19 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3ag1 h ARG 25 Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3ag1 h ARG 25 CO -0.02 0.60 0.00 1.63 -1.51 0.00 0.00 179.97 180.66 3ag1 n LYS 26 N -4.14 1.24 -2.34 0.20 5.02 -1.00 -4.93 118.16 112.20 3ag1 n LYS 26 Ca -0.01 -0.24 -0.14 0.00 -2.02 0.00 0.00 58.31 55.90 3ag1 n LYS 26 Cb 0.38 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 3ag1 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag1 n GLY 27 N 0.30 -0.34 3.89 0.72 0.00 -0.29 -5.01 105.19 104.46 3ag1 n GLY 27 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3ag1 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag1 s GLN 28 N -4.88 3.18 -0.40 1.61 -0.21 -0.26 -5.00 119.66 113.72 3ag1 s GLN 28 Ca 0.00 -0.85 0.11 0.00 0.02 0.00 0.00 55.36 54.64 3ag1 s GLN 28 Cb 0.00 -2.76 0.34 0.00 1.00 0.00 0.00 33.01 31.59 3ag1 s GLN 28 CO 0.00 0.44 0.73 -3.47 -2.12 0.00 0.00 175.29 170.87 3ag1 n ASP 29 N -1.03 1.13 0.32 5.90 2.03 -1.26 -3.65 116.55 119.99 3ag1 n ASP 29 Ca -0.08 -3.04 0.21 0.00 0.52 0.00 0.00 54.79 52.40 3ag1 n ASP 29 Cb 0.56 -0.62 1.08 0.00 -0.72 0.00 0.00 41.12 41.42 3ag1 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ag1 h PRO 30 N 3.13 0.00 -0.36 -0.67 0.13 -1.94 -2.76 132.00 129.53 3ag1 h PRO 30 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ag1 h PRO 30 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3ag1 h PRO 30 CO 0.53 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.96 3ag1 n TYR 31 N -3.06 1.31 -3.74 1.56 4.02 -1.26 -4.98 117.16 111.02 3ag1 n TYR 31 Ca -0.02 -0.84 -0.25 0.00 -0.01 0.00 0.00 57.90 56.78 3ag1 n TYR 31 Cb 0.13 -0.38 0.05 0.00 -0.02 0.00 0.00 39.34 39.11 3ag1 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ag1 n ASN 32 N -0.16 -4.17 0.09 7.72 3.02 -1.04 -4.87 115.26 115.84 3ag1 n ASN 32 Ca 0.24 -0.71 -0.04 0.00 -0.03 0.00 0.00 54.58 54.04 3ag1 n ASN 32 Cb 1.00 -4.34 -0.07 0.00 -0.61 0.00 0.00 39.78 35.75 3ag1 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ag1 h ILE 33 N -2.19 1.41 -2.40 2.41 2.04 -1.94 -3.47 117.51 113.38 3ag1 h ILE 33 Ca -0.59 -3.00 -0.51 0.00 1.00 0.00 0.00 64.86 61.76 3ag1 h ILE 33 Cb 1.37 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 40.11 3ag1 h ILE 33 CO 0.60 0.80 -0.48 -0.76 0.00 0.00 0.00 178.15 178.32 3ag1 s LEU 34 N -6.61 4.18 0.03 1.44 1.43 -1.26 -5.09 118.68 112.79 3ag1 s LEU 34 Ca 0.02 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 3ag1 s LEU 34 Cb 0.09 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3ag1 s LEU 34 CO 0.79 -0.00 1.01 0.00 0.23 0.00 0.00 176.35 178.38 3ag1 s ALA 35 N -1.88 3.21 0.36 4.21 0.00 -1.26 -5.02 121.76 121.39 3ag1 s ALA 35 Ca 0.34 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.62 3ag1 s ALA 35 Cb -0.10 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3ag1 s ALA 35 CO 0.27 -0.22 1.23 -1.25 0.00 0.00 0.00 175.76 175.79 3ag1 s PRO 36 N 0.80 4.21 0.15 0.00 0.04 -1.26 -5.01 135.00 133.93 3ag1 s PRO 36 Ca 0.52 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 3ag1 s PRO 36 Cb -0.23 -2.88 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 3ag1 s PRO 36 CO 0.29 -0.24 0.95 0.21 0.04 0.00 0.00 177.00 178.24 3ag1 s LYS 37 N -2.01 4.75 0.51 4.56 2.47 -1.26 -5.05 119.74 123.70 3ag1 s LYS 37 Ca 0.53 1.46 -0.20 0.00 -1.56 0.00 0.00 55.97 56.19 3ag1 s LYS 37 Cb -0.35 -3.34 -0.07 0.00 -1.46 0.00 0.00 37.83 32.60 3ag1 s LYS 37 CO 0.45 0.32 1.10 0.00 0.16 0.00 0.00 175.35 177.38 3ag1 s ALA 38 N -0.42 2.80 0.50 3.13 0.00 -1.26 -5.00 121.76 121.52 3ag1 s ALA 38 Ca 0.45 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3ag1 s ALA 38 Cb -0.24 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3ag1 s ALA 38 CO 0.30 -0.56 0.00 0.25 0.00 0.00 0.00 175.76 175.75 3ag1 n THR 39 N -1.05 0.00 0.28 0.00 -2.24 -1.26 -4.97 114.28 105.04 3ag1 n THR 39 Ca 0.10 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.05 3ag1 n THR 39 Cb 0.51 -1.50 0.74 0.00 -2.10 0.00 0.00 70.33 67.98 3ag1 n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ag1 h SER 40 N 0.00 0.00 -0.14 3.42 4.64 -1.92 -3.47 113.55 116.08 3ag1 h SER 40 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3ag1 h SER 40 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ag1 h SER 40 CO 0.00 0.02 -0.05 0.61 -0.87 0.00 0.00 176.83 176.54 3ag1 n GLY 41 N -0.14 0.59 3.84 -0.77 0.00 -0.37 -4.92 105.19 103.43 3ag1 n GLY 41 Ca -0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3ag1 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag1 s THR 42 N -1.93 1.96 0.38 2.61 -4.23 -1.10 -0.20 115.64 113.13 3ag1 s THR 42 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 3ag1 s THR 42 Cb 0.00 -2.87 0.32 0.00 1.34 0.00 0.00 72.50 71.29 3ag1 s THR 42 CO 0.00 0.00 1.91 0.50 -0.54 0.00 0.00 174.62 176.49 3ag1 h LYS 43 N -1.51 0.60 0.00 3.99 3.64 -1.94 -2.19 116.57 119.16 3ag1 h LYS 43 Ca -0.47 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.75 3ag1 h LYS 43 Cb 1.30 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3ag1 h LYS 43 CO 0.54 0.40 -1.31 0.39 -2.27 0.00 0.00 179.45 177.20 3ag1 n GLU 44 N -4.52 0.62 -3.32 1.90 4.71 -1.26 -4.39 120.64 114.38 3ag1 n GLU 44 Ca 0.15 0.20 -0.27 0.00 -0.01 0.00 0.00 57.16 57.23 3ag1 n GLU 44 Cb 0.43 -1.82 -0.07 0.00 -1.01 0.00 0.00 31.44 28.97 3ag1 n GLU 44 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3ag1 n ASP 45 N -2.84 3.73 -4.79 1.62 4.64 -1.01 -5.12 116.55 112.77 3ag1 n ASP 45 Ca -0.07 -3.46 -0.31 0.00 -1.38 0.00 0.00 54.79 49.57 3ag1 n ASP 45 Cb 0.77 -0.65 0.07 0.00 -1.04 0.00 0.00 41.12 40.28 3ag1 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ag1 s PRO 46 N -2.61 2.52 0.15 -0.67 0.04 -0.86 -1.23 135.00 132.33 3ag1 s PRO 46 Ca 0.41 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 3ag1 s PRO 46 Cb 0.18 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 3ag1 s PRO 46 CO -0.04 -1.42 1.18 -0.80 0.04 0.00 0.00 177.00 175.97 3ag1 s ASN 47 N -3.62 7.11 -0.19 6.66 0.01 0.06 -4.78 114.94 120.19 3ag1 s ASN 47 Ca 0.60 2.15 -0.09 0.00 -0.71 0.00 0.00 52.86 54.81 3ag1 s ASN 47 Cb -0.16 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 3ag1 s ASN 47 CO 0.55 -0.37 0.10 -0.76 -1.51 0.00 0.00 177.10 175.11 3ag1 s LEU 48 N 0.10 4.03 -0.31 0.60 2.01 -1.26 -0.08 118.68 123.76 3ag1 s LEU 48 Ca 0.54 0.16 -0.01 0.00 0.01 0.00 0.00 54.13 54.82 3ag1 s LEU 48 Cb -0.31 -2.03 0.06 0.00 0.01 0.00 0.00 46.19 43.91 3ag1 s LEU 48 CO 0.34 0.17 0.02 -0.69 1.01 0.00 0.00 176.35 177.21 3ag1 s VAL 49 N 0.39 2.94 0.67 -1.59 1.01 0.11 -4.90 120.40 119.03 3ag1 s VAL 49 Ca 0.06 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 3ag1 s VAL 49 Cb -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3ag1 s VAL 49 CO -0.01 -0.20 1.07 -2.16 0.00 0.00 0.00 175.10 173.80 3ag1 s PRO 50 N 1.21 2.94 0.09 2.72 0.05 -1.26 -0.66 135.00 140.09 3ag1 s PRO 50 Ca -0.03 1.12 -0.23 0.00 0.05 0.00 0.00 61.00 61.91 3ag1 s PRO 50 Cb -0.20 -1.98 0.06 0.00 0.05 0.00 0.00 34.50 32.43 3ag1 s PRO 50 CO -0.02 -1.11 0.57 0.45 0.05 0.00 0.00 177.00 176.94 3ag1 s SER 51 N -3.25 -0.51 0.00 6.66 0.15 -1.02 -4.85 113.70 110.88 3ag1 s SER 51 Ca 0.61 0.13 0.20 0.00 0.70 0.00 0.00 55.95 57.60 3ag1 s SER 51 Cb -0.16 0.54 0.18 0.00 -1.71 0.00 0.00 66.02 64.87 3ag1 s SER 51 CO 0.47 -0.82 1.16 2.30 1.20 0.00 0.00 173.24 177.55 3ag1 n ILE 52 N 0.08 0.04 -2.99 6.45 -5.35 -1.26 -1.17 119.36 115.16 3ag1 n ILE 52 Ca -0.18 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 3ag1 n ILE 52 Cb 0.62 1.39 0.00 0.00 -1.74 0.00 0.00 39.64 39.91 3ag1 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ag1 n THR 53 N 1.15 0.00 -0.40 7.28 -2.24 -1.26 -4.92 114.28 113.89 3ag1 n THR 53 Ca 0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 3ag1 n THR 53 Cb 0.51 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.07 3ag1 n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag1 n ASN 54 N 0.00 4.29 -3.52 3.42 3.02 -1.26 -4.78 115.26 116.42 3ag1 n ASN 54 Ca 0.00 -2.27 -0.18 0.00 -0.03 0.00 0.00 54.58 52.10 3ag1 n ASN 54 Cb 0.00 -0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 3ag1 n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ag1 s LYS 55 N -1.55 1.04 -0.01 3.52 -2.85 -1.26 -0.86 119.74 117.76 3ag1 s LYS 55 Ca 0.48 0.27 -0.13 0.00 -1.00 0.00 0.00 55.97 55.60 3ag1 s LYS 55 Cb 0.29 0.49 0.02 0.00 -2.06 0.00 0.00 37.83 36.57 3ag1 s LYS 55 CO 0.27 -0.32 0.27 0.50 0.10 0.00 0.00 175.35 176.17 3ag1 s ARG 56 N -1.15 0.62 -0.05 1.78 3.52 -0.20 -4.92 118.95 118.54 3ag1 s ARG 56 Ca -0.10 -0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.00 3ag1 s ARG 56 Cb -0.00 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 3ag1 s ARG 56 CO 0.09 -0.16 0.94 0.42 -0.81 0.00 0.00 175.30 175.78 3ag1 s ILE 57 N -1.28 4.87 -0.09 4.11 1.01 -1.26 -0.22 121.20 128.35 3ag1 s ILE 57 Ca -0.13 1.95 -0.03 0.00 0.00 0.00 0.00 60.65 62.44 3ag1 s ILE 57 Cb -0.06 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3ag1 s ILE 57 CO 0.04 0.13 0.03 -0.69 0.00 0.00 0.00 174.94 174.44 3ag1 s VAL 58 N 1.30 4.54 -0.17 2.92 1.01 0.42 -4.93 120.40 125.48 3ag1 s VAL 58 Ca 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 3ag1 s VAL 58 Cb -0.20 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3ag1 s VAL 58 CO 0.23 0.60 -0.09 -0.83 0.00 0.00 0.00 175.10 175.01 3ag1 s GLY 59 N -0.95 1.57 -0.20 4.51 0.00 -1.26 -0.98 107.32 110.02 3ag1 s GLY 59 Ca 0.14 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3ag1 s GLY 59 CO 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 173.10 173.22 3ag1 s ILE 61 N 1.05 4.85 0.40 0.00 1.01 -1.26 -1.97 121.20 125.28 3ag1 s ILE 61 Ca 0.02 -1.62 0.08 0.00 0.00 0.00 0.00 60.65 59.13 3ag1 s ILE 61 Cb -0.14 -4.71 0.22 0.00 0.01 0.00 0.00 42.46 37.84 3ag1 s ILE 61 CO 0.01 -1.41 2.00 0.00 0.00 0.00 0.00 174.94 175.54 3ag1 s GLU 63 N -5.18 0.05 0.03 0.00 2.02 -1.26 -5.03 118.70 109.32 3ag1 s GLU 63 Ca -0.07 0.07 -0.38 0.00 0.02 0.00 0.00 54.97 54.61 3ag1 s GLU 63 Cb 0.17 0.02 -0.17 0.00 0.10 0.00 0.00 34.13 34.24 3ag1 s GLU 63 CO 0.73 -0.01 1.37 -1.91 0.02 0.00 0.00 175.26 175.46 3ag1 n GLU 64 N 3.10 1.04 -0.89 1.61 2.13 -1.26 -1.33 120.64 125.04 3ag1 n GLU 64 Ca -0.13 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3ag1 n GLU 64 Cb 0.59 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3ag1 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ag1 n ASP 65 N 2.82 0.00 -4.43 4.31 10.43 -1.26 -5.00 116.55 123.42 3ag1 n ASP 65 Ca 0.20 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.14 3ag1 n ASP 65 Cb 0.17 -0.29 0.00 0.00 1.84 0.00 0.00 41.12 42.85 3ag1 n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ag1 n ASN 66 N 0.00 -1.21 -0.00 -2.24 3.02 -0.44 -4.86 115.26 109.53 3ag1 n ASN 66 Ca 0.00 0.91 0.10 0.00 -0.03 0.00 0.00 54.58 55.56 3ag1 n ASN 66 Cb 0.00 -1.07 -0.13 0.00 -0.61 0.00 0.00 39.78 37.97 3ag1 n ASN 66 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ag1 n SER 67 N 1.50 0.64 -4.59 6.41 3.41 -1.26 -4.87 113.62 114.86 3ag1 n SER 67 Ca 0.12 -0.63 -0.35 0.00 -0.26 0.00 0.00 58.87 57.74 3ag1 n SER 67 Cb 0.39 1.34 -0.10 0.00 -0.26 0.00 0.00 64.21 65.57 3ag1 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ag1 s THR 68 N -3.19 4.78 -0.11 6.66 2.01 -1.26 -5.09 115.64 119.45 3ag1 s THR 68 Ca 0.02 -0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 3ag1 s THR 68 Cb 0.15 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 3ag1 s THR 68 CO 0.88 0.41 0.29 -0.69 -0.69 0.00 0.00 174.62 174.82 3ag1 s VAL 69 N 0.81 5.27 -0.27 3.82 1.01 -1.26 -4.75 120.40 125.04 3ag1 s VAL 69 Ca 0.04 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 3ag1 s VAL 69 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3ag1 s VAL 69 CO 0.02 0.49 0.45 -0.63 0.00 0.00 0.00 175.10 175.44 3ag1 s ILE 70 N -0.29 5.12 -0.11 2.22 -1.09 -0.83 -4.87 121.20 121.33 3ag1 s ILE 70 Ca 0.18 0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 3ag1 s ILE 70 Cb -0.14 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 3ag1 s ILE 70 CO 0.06 0.12 0.02 0.26 -1.23 0.00 0.00 174.94 174.17 3ag1 s TRP 71 N 2.20 3.20 -0.10 3.97 0.52 -1.26 0.30 118.94 127.78 3ag1 s TRP 71 Ca 0.18 0.15 -0.30 0.00 0.02 0.00 0.00 56.10 56.15 3ag1 s TRP 71 Cb -0.16 -1.87 0.08 0.00 -1.15 0.00 0.00 33.47 30.37 3ag1 s TRP 71 CO 0.09 0.39 0.74 -0.59 0.02 0.00 0.00 176.95 177.60 3ag1 s PHE 72 N -0.55 -0.64 0.04 -1.98 -0.12 -0.15 -5.00 117.98 109.58 3ag1 s PHE 72 Ca 0.10 1.18 -0.31 0.00 -0.05 0.00 0.00 56.93 57.85 3ag1 s PHE 72 Cb -0.12 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.60 3ag1 s PHE 72 CO 0.02 -0.53 1.48 -1.58 -0.05 0.00 0.00 175.22 174.55 3ag1 s TRP 73 N -0.93 2.79 -0.26 3.49 0.52 -1.26 -0.44 118.94 122.85 3ag1 s TRP 73 Ca -0.08 0.69 -0.12 0.00 0.02 0.00 0.00 56.10 56.61 3ag1 s TRP 73 Cb -0.01 -3.76 -0.05 0.00 -1.15 0.00 0.00 33.47 28.50 3ag1 s TRP 73 CO 0.07 -2.88 0.22 -1.17 0.02 0.00 0.00 176.95 173.22 3ag1 s LEU 74 N 2.25 4.06 0.17 2.99 2.96 0.70 -4.92 118.68 126.88 3ag1 s LEU 74 Ca 0.67 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 3ag1 s LEU 74 Cb -0.35 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 3ag1 s LEU 74 CO 0.29 -0.04 0.21 -1.00 -1.32 0.00 0.00 176.35 174.49 3ag1 s HIS 75 N 1.57 3.30 0.34 5.38 3.76 -1.26 -1.04 115.29 127.34 3ag1 s HIS 75 Ca 0.09 0.03 -0.28 0.00 -0.15 0.00 0.00 55.06 54.75 3ag1 s HIS 75 Cb -0.15 -1.57 -0.12 0.00 1.11 0.00 0.00 32.58 31.85 3ag1 s HIS 75 CO 0.09 0.51 1.41 1.17 -0.85 0.00 0.00 174.74 177.07 3ag1 n LYS 76 N -0.53 2.41 0.00 1.40 4.81 -0.04 -4.55 118.16 121.67 3ag1 n LYS 76 Ca -0.08 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 3ag1 n LYS 76 Cb 0.55 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.08 3ag1 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag1 n GLY 77 N 0.87 0.63 3.77 3.14 0.00 -1.26 -5.06 105.19 107.29 3ag1 n GLY 77 Ca 0.04 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 3ag1 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag1 s GLU 78 N -1.44 2.73 0.33 1.61 2.12 -1.26 -4.68 118.70 118.11 3ag1 s GLU 78 Ca 0.00 1.35 -0.28 0.00 0.36 0.00 0.00 54.97 56.41 3ag1 s GLU 78 Cb 0.00 -1.94 -0.13 0.00 0.26 0.00 0.00 34.13 32.32 3ag1 s GLU 78 CO 0.00 -1.30 1.12 0.00 -0.54 0.00 0.00 175.26 174.54 3ag1 n ALA 79 N -2.57 0.42 -2.51 6.30 0.00 -1.26 -4.90 120.51 115.99 3ag1 n ALA 79 Ca 0.10 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.65 3ag1 n ALA 79 Cb 0.52 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 3ag1 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ag1 s GLN 80 N -1.74 2.14 0.14 0.00 -0.21 -0.28 -4.91 119.66 114.80 3ag1 s GLN 80 Ca 0.58 -1.80 0.11 0.00 0.02 0.00 0.00 55.36 54.27 3ag1 s GLN 80 Cb -0.63 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 3ag1 s GLN 80 CO 0.61 0.03 -0.26 1.03 -2.12 0.00 0.00 175.29 174.58 3ag1 s ARG 81 N -3.79 1.46 0.22 2.91 0.52 -1.26 -1.34 118.95 117.67 3ag1 s ARG 81 Ca 0.37 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 53.91 3ag1 s ARG 81 Cb 0.02 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.47 3ag1 s ARG 81 CO 0.21 0.44 1.61 0.00 0.02 0.00 0.00 175.30 177.58 3ag1 h PRO 83 N 6.15 0.00 0.00 0.00 0.11 -1.96 0.19 132.00 136.49 3ag1 h PRO 83 Ca -0.44 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.22 3ag1 h PRO 83 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3ag1 h PRO 83 CO 0.89 0.00 -2.51 0.45 -0.21 0.00 0.00 178.00 176.62 3ag1 n SER 84 N -2.96 1.96 -0.46 -2.05 2.88 -1.26 -4.69 113.62 107.04 3ag1 n SER 84 Ca -0.01 0.24 0.07 0.00 -1.33 0.00 0.00 58.87 57.84 3ag1 n SER 84 Cb 0.16 -0.74 0.03 0.00 -0.75 0.00 0.00 64.21 62.91 3ag1 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag1 n GLY 86 N 0.95 1.07 3.74 0.00 0.00 0.66 -4.90 105.19 106.71 3ag1 n GLY 86 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3ag1 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag1 s THR 87 N -3.17 2.65 -0.01 2.61 -4.23 -1.26 -4.31 115.64 107.93 3ag1 s THR 87 Ca 0.00 0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 3ag1 s THR 87 Cb 0.00 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 3ag1 s THR 87 CO 0.00 -0.16 0.27 -1.00 -0.54 0.00 0.00 174.62 173.20 3ag1 s HIS 88 N -1.98 3.60 0.01 3.99 0.09 0.72 -0.80 115.29 120.91 3ag1 s HIS 88 Ca 0.73 0.62 0.01 0.00 -0.00 0.00 0.00 55.06 56.42 3ag1 s HIS 88 Cb -0.27 -2.02 -0.01 0.00 -0.00 0.00 0.00 32.58 30.28 3ag1 s HIS 88 CO 0.41 0.63 -0.03 0.71 -0.00 0.00 0.00 174.74 176.45 3ag1 s TYR 89 N -1.24 0.31 -0.03 1.40 2.02 -0.45 -0.76 117.35 118.59 3ag1 s TYR 89 Ca 0.26 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 3ag1 s TYR 89 Cb -0.13 -0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.24 3ag1 s TYR 89 CO 0.14 -0.03 -0.05 0.21 -1.57 0.00 0.00 175.55 174.25 3ag1 s LYS 90 N -0.39 0.74 -0.03 -0.62 2.20 0.88 -1.13 119.74 121.39 3ag1 s LYS 90 Ca -0.02 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 3ag1 s LYS 90 Cb -0.03 -0.74 -0.03 0.00 -1.51 0.00 0.00 37.83 35.52 3ag1 s LYS 90 CO -0.00 -0.02 1.05 -1.17 -0.36 0.00 0.00 175.35 174.86 3ag1 s LEU 91 N 0.61 4.32 -0.53 5.43 2.96 -1.26 0.04 118.68 130.25 3ag1 s LEU 91 Ca -0.08 1.70 -0.04 0.00 -0.22 0.00 0.00 54.13 55.49 3ag1 s LEU 91 Cb -0.11 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.15 3ag1 s LEU 91 CO 0.00 -0.39 0.36 0.68 -1.32 0.00 0.00 176.35 175.67 3ag1 s VAL 92 N 1.48 3.74 0.11 1.68 -7.23 0.17 -4.70 120.40 115.64 3ag1 s VAL 92 Ca 0.53 -2.42 -0.31 0.00 -1.81 0.00 0.00 61.98 57.97 3ag1 s VAL 92 Cb -0.22 -3.47 -0.07 0.00 0.56 0.00 0.00 36.38 33.18 3ag1 s VAL 92 CO 0.24 -0.80 1.24 -2.16 -0.31 0.00 0.00 175.10 173.31 3ag1 s PRO 93 N 0.62 4.42 0.00 4.82 0.05 -1.26 -2.43 135.00 141.22 3ag1 s PRO 93 Ca 0.12 1.86 0.00 0.00 0.05 0.00 0.00 61.00 63.03 3ag1 s PRO 93 Cb -0.22 -3.30 0.00 0.00 0.05 0.00 0.00 34.50 31.04 3ag1 s PRO 93 CO -0.04 -0.25 0.00 0.72 0.05 0.00 0.00 177.00 177.48 3ag1 n HIS 94 N 3.55 0.00 0.00 0.56 8.25 -0.32 -4.91 115.22 122.35 3ag1 n HIS 94 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3ag1 n HIS 94 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3ag1 n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ag1 n GLN 95 N -0.63 0.00 0.00 -0.41 3.00 -1.26 -4.82 117.38 113.26 3ag1 n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3ag1 n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3ag1 n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3ag1 n LEU 96 N 0.00 0.00 -4.67 1.08 0.00 -1.26 -4.54 117.00 107.60 3ag1 n LEU 96 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.64 3ag1 n LEU 96 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 3ag1 n LEU 96 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 177.39 177.34 3ag1 s ALA 97 N -0.90 3.59 -2.00 1.96 0.00 -1.26 -4.99 121.76 118.16 3ag1 s ALA 97 Ca 0.00 -0.68 0.27 0.00 0.00 0.00 0.00 51.96 51.54 3ag1 s ALA 97 Cb 0.00 -2.45 1.60 0.00 0.00 0.00 0.00 23.12 22.27 3ag1 s ALA 97 CO 0.00 -0.19 1.95 0.72 0.00 0.00 0.00 175.76 178.24