#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 -0.67 -0.04 0.00 1.04 -1.26 -5.17 113.70 107.60 3ag1 s SER 2 Ca 0.00 1.14 -0.30 0.00 0.48 0.00 0.00 55.95 57.27 3ag1 s SER 2 Cb 0.00 1.23 0.12 0.00 0.10 0.00 0.00 66.02 67.47 3ag1 s SER 2 CO 0.00 -0.19 1.33 -0.83 0.98 0.00 0.00 173.24 174.54 3ag1 s GLY 3 N 1.03 -0.31 0.00 7.32 0.00 -1.26 -5.20 107.32 108.90 3ag1 s GLY 3 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3ag1 s GLY 3 CO -0.12 2.82 0.00 0.61 0.00 0.00 0.00 173.10 176.41 3ag1 n GLY 4 N -0.69 2.07 0.78 0.20 0.00 -1.26 -5.00 105.19 101.30 3ag1 n GLY 4 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 4.86 0.72 3.71 -0.02 0.00 -1.26 -5.06 105.19 108.14 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 -2.37 5.29 0.84 1.61 1.01 -1.26 -5.07 120.40 120.46 3ag1 s VAL 6 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 3ag1 s VAL 6 Cb 0.00 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.84 3ag1 s VAL 6 CO 0.00 0.35 1.10 -2.16 0.00 0.00 0.00 175.10 174.39 3ag1 s PRO 7 N 0.74 1.66 0.32 2.72 0.04 -1.26 -5.06 135.00 134.17 3ag1 s PRO 7 Ca 0.16 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.34 3ag1 s PRO 7 Cb -0.13 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3ag1 s PRO 7 CO 0.05 -2.03 0.33 0.95 0.04 0.00 0.00 177.00 176.34 3ag1 s THR 8 N -2.88 3.86 0.28 1.26 -4.23 -1.26 -5.01 115.64 107.66 3ag1 s THR 8 Ca 0.63 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 3ag1 s THR 8 Cb -0.18 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.60 3ag1 s THR 8 CO 0.57 -0.20 1.93 0.44 -0.54 0.00 0.00 174.62 176.82 3ag1 h ASP 9 N 1.17 1.01 -0.98 3.99 3.32 -1.97 -0.92 116.42 122.04 3ag1 h ASP 9 Ca -0.46 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 56.61 3ag1 h ASP 9 Cb 1.25 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 3ag1 h ASP 9 CO 0.57 0.76 0.63 -0.08 -1.72 0.00 0.00 179.24 179.41 3ag1 h GLU 10 N 1.16 1.08 0.05 3.56 4.57 -1.95 0.28 114.58 123.34 3ag1 h GLU 10 Ca 0.31 -0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 58.19 3ag1 h GLU 10 Cb -0.07 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.28 3ag1 h GLU 10 CO -0.06 0.72 -1.04 0.93 -1.18 0.00 0.00 179.01 178.38 3ag1 h GLU 11 N 1.12 0.29 0.00 1.92 5.08 -1.89 -3.43 114.58 117.67 3ag1 h GLU 11 Ca 0.43 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ag1 h GLU 11 Cb 0.21 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ag1 h GLU 11 CO -0.17 1.10 -0.34 0.94 -1.00 0.00 0.00 179.01 179.55 3ag1 n GLN 12 N -3.63 3.57 -1.91 2.33 7.27 -0.38 -4.98 117.38 119.65 3ag1 n GLN 12 Ca -0.06 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.59 3ag1 n GLN 12 Cb 0.90 -0.60 -0.02 0.00 2.41 0.00 0.00 30.24 32.93 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 -1.09 3.69 0.42 1.69 0.00 0.05 -5.02 121.76 121.50 3ag1 s ALA 13 Ca 0.00 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.41 3ag1 s ALA 13 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3ag1 s ALA 13 CO 0.00 -0.84 0.07 -2.37 0.00 0.00 0.00 175.76 172.62 3ag1 n THR 14 N 2.48 0.00 -2.52 0.00 5.66 -1.26 -4.62 114.28 114.02 3ag1 n THR 14 Ca 0.08 -2.19 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 3ag1 n THR 14 Cb 0.39 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 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 -0.55 1.84 0.26 1.09 0.00 -1.26 -1.65 105.19 104.93 3ag1 n GLY 15 Ca -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 0.34 -0.02 0.99 5.85 -1.99 -1.56 115.31 118.92 3ag1 h LEU 16 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3ag1 h LEU 16 Cb 0.00 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3ag1 h LEU 16 CO 0.00 0.44 0.01 -0.08 -0.34 0.00 0.00 178.44 178.47 3ag1 h GLU 17 N 0.35 0.03 -0.80 1.25 4.81 -1.89 0.22 114.58 118.55 3ag1 h GLU 17 Ca 0.08 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ag1 h GLU 17 Cb 0.31 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3ag1 h GLU 17 CO 0.01 0.04 0.53 -0.09 -0.73 0.00 0.00 179.01 178.78 3ag1 h ARG 18 N 0.01 1.06 -0.62 1.92 2.43 -0.81 -1.90 114.38 116.47 3ag1 h ARG 18 Ca 0.01 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3ag1 h ARG 18 Cb 0.02 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 3ag1 h ARG 18 CO -0.00 0.70 0.39 0.93 -1.51 0.00 0.00 179.97 180.48 3ag1 h GLU 19 N 1.09 0.76 -0.51 0.20 5.08 -0.60 0.12 114.58 120.73 3ag1 h GLU 19 Ca 0.30 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3ag1 h GLU 19 Cb -0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 3ag1 h GLU 19 CO -0.06 0.51 0.22 0.28 -1.00 0.00 0.00 179.01 178.96 3ag1 h VAL 20 N 0.79 1.21 -0.34 3.13 2.07 -0.33 -0.16 116.25 122.61 3ag1 h VAL 20 Ca 0.24 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3ag1 h VAL 20 Cb -0.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3ag1 h VAL 20 CO -0.08 0.24 0.08 -0.03 0.02 0.00 0.00 177.57 177.80 3ag1 h MET 21 N 0.69 0.55 -0.34 1.57 1.85 -0.92 -1.17 114.93 117.14 3ag1 h MET 21 Ca 0.17 -0.13 -0.07 0.00 -0.61 0.00 0.00 59.70 59.06 3ag1 h MET 21 Cb 0.16 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 3ag1 h MET 21 CO -0.02 0.60 -0.06 -0.07 -0.40 0.00 0.00 176.91 176.96 3ag1 h LEU 22 N 0.40 0.64 -1.10 3.39 3.38 -0.63 -3.01 115.31 118.39 3ag1 h LEU 22 Ca 0.11 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3ag1 h LEU 22 Cb 0.30 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3ag1 h LEU 22 CO 0.00 0.85 0.61 0.00 0.09 0.00 0.00 178.44 179.99 3ag1 h ALA 23 N 0.82 1.46 0.00 1.53 0.00 -0.85 -1.81 119.26 120.42 3ag1 h ALA 23 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3ag1 h ALA 23 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ag1 h ALA 23 CO 0.03 0.41 -0.25 0.00 0.00 0.00 0.00 179.25 179.45 3ag1 h ALA 24 N 1.48 1.14 0.00 0.00 0.00 -1.08 -1.41 119.26 119.39 3ag1 h ALA 24 Ca 0.40 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3ag1 h ALA 24 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ag1 h ALA 24 CO -0.14 0.31 -0.76 -0.09 0.00 0.00 0.00 179.25 178.56 3ag1 h ARG 25 N 0.00 0.00 -0.38 0.00 2.43 -1.27 -1.98 114.38 113.17 3ag1 h ARG 25 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ag1 h ARG 25 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3ag1 h ARG 25 CO 0.03 0.32 0.00 1.63 -1.51 0.00 0.00 179.97 180.44 3ag1 n LYS 26 N -3.05 1.88 -2.60 0.20 5.02 -0.86 -4.93 118.16 113.83 3ag1 n LYS 26 Ca -0.01 -1.25 -0.21 0.00 -2.02 0.00 0.00 58.31 54.82 3ag1 n LYS 26 Cb 0.72 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.98 -0.51 3.76 0.72 0.00 -0.75 -5.03 105.19 104.36 3ag1 n GLY 27 Ca 0.12 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.26 2.77 -0.52 1.61 -0.21 -0.59 -5.02 119.66 112.45 3ag1 s GLN 28 Ca 0.10 -0.84 0.07 0.00 0.02 0.00 0.00 55.36 54.71 3ag1 s GLN 28 Cb -0.04 -2.62 0.31 0.00 1.00 0.00 0.00 33.01 31.66 3ag1 s GLN 28 CO 0.12 0.51 0.81 -3.47 -2.12 0.00 0.00 175.29 171.14 3ag1 n ASP 29 N 0.07 3.00 0.30 5.90 2.03 -1.26 -3.96 116.55 122.62 3ag1 n ASP 29 Ca -0.09 -3.36 0.19 0.00 0.52 0.00 0.00 54.79 52.05 3ag1 n ASP 29 Cb 0.53 -0.61 0.89 0.00 -0.72 0.00 0.00 41.12 41.22 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 3.37 0.00 -0.50 -0.67 0.13 -1.94 -2.64 132.00 129.74 3ag1 h PRO 30 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ag1 h PRO 30 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3ag1 h PRO 30 CO 0.71 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.14 3ag1 n TYR 31 N -3.09 0.67 -3.01 1.56 4.02 -1.26 -4.98 117.16 111.07 3ag1 n TYR 31 Ca -0.01 -0.49 -0.17 0.00 -0.01 0.00 0.00 57.90 57.22 3ag1 n TYR 31 Cb 0.22 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 39.56 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 1.00 -5.16 0.05 7.72 3.02 -1.00 -4.90 115.26 115.99 3ag1 n ASN 32 Ca 0.17 -0.29 -0.06 0.00 -0.03 0.00 0.00 54.58 54.37 3ag1 n ASN 32 Cb 0.51 -3.92 0.12 0.00 -0.61 0.00 0.00 39.78 35.87 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 -1.41 1.35 -2.62 2.41 2.04 -1.94 -3.46 117.51 113.87 3ag1 h ILE 33 Ca -0.42 -1.81 -0.56 0.00 1.00 0.00 0.00 64.86 63.08 3ag1 h ILE 33 Cb 1.28 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 3ag1 h ILE 33 CO 0.43 0.55 -0.49 -0.76 0.00 0.00 0.00 178.15 177.88 3ag1 s LEU 34 N -8.16 4.24 -0.03 1.44 1.43 -1.26 -5.08 118.68 111.25 3ag1 s LEU 34 Ca -0.05 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 3ag1 s LEU 34 Cb 0.12 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3ag1 s LEU 34 CO 0.81 0.07 1.01 0.00 0.23 0.00 0.00 176.35 178.47 3ag1 s ALA 35 N -1.72 3.26 0.44 4.21 0.00 -1.26 -5.00 121.76 121.70 3ag1 s ALA 35 Ca 0.34 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 3ag1 s ALA 35 Cb -0.11 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3ag1 s ALA 35 CO 0.27 -0.38 1.38 -1.25 0.00 0.00 0.00 175.76 175.78 3ag1 s PRO 36 N 1.37 3.74 0.14 0.00 0.04 -1.26 -4.99 135.00 134.05 3ag1 s PRO 36 Ca 0.51 2.31 -0.30 0.00 0.04 0.00 0.00 61.00 63.56 3ag1 s PRO 36 Cb -0.21 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 3ag1 s PRO 36 CO 0.25 -0.73 1.05 0.21 0.04 0.00 0.00 177.00 177.82 3ag1 s LYS 37 N -2.42 4.62 0.41 4.56 2.47 -1.26 -5.05 119.74 123.08 3ag1 s LYS 37 Ca 0.60 1.62 -0.26 0.00 -1.56 0.00 0.00 55.97 56.37 3ag1 s LYS 37 Cb -0.41 -3.32 -0.09 0.00 -1.46 0.00 0.00 37.83 32.55 3ag1 s LYS 37 CO 0.53 0.11 1.29 0.00 0.16 0.00 0.00 175.35 177.43 3ag1 s ALA 38 N -0.07 3.24 0.54 3.13 0.00 -1.26 -5.00 121.76 122.35 3ag1 s ALA 38 Ca 0.49 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3ag1 s ALA 38 Cb -0.27 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3ag1 s ALA 38 CO 0.33 -0.79 0.00 0.25 0.00 0.00 0.00 175.76 175.54 3ag1 n THR 39 N 0.12 0.00 0.36 0.00 -2.24 -1.26 -5.00 114.28 106.26 3ag1 n THR 39 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 3ag1 n THR 39 Cb 0.44 -1.54 0.31 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.20 3.42 4.64 -1.93 -3.47 113.55 116.01 3ag1 h SER 40 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3ag1 h SER 40 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3ag1 h SER 40 CO 0.00 0.00 -0.08 0.61 -0.87 0.00 0.00 176.83 176.49 3ag1 n GLY 41 N 1.01 0.68 3.72 -0.77 0.00 -0.66 -4.92 105.19 104.25 3ag1 n GLY 41 Ca 0.04 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 1.99 0.41 2.61 -4.23 -1.21 -0.53 115.64 112.68 3ag1 s THR 42 Ca 0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 3ag1 s THR 42 Cb 0.00 -2.60 0.14 0.00 1.34 0.00 0.00 72.50 71.39 3ag1 s THR 42 CO 0.00 0.00 1.92 0.50 -0.54 0.00 0.00 174.62 176.50 3ag1 h LYS 43 N -1.78 0.00 0.00 3.99 3.64 -1.95 -1.74 116.57 118.74 3ag1 h LYS 43 Ca -0.53 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.78 3ag1 h LYS 43 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3ag1 h LYS 43 CO 0.59 0.27 -0.43 0.93 -2.27 0.00 0.00 179.45 178.53 3ag1 h GLU 44 N 0.00 0.00 -1.99 1.90 3.07 -2.01 -3.39 114.58 112.16 3ag1 h GLU 44 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 3ag1 h GLU 44 Cb 0.47 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.97 3ag1 h GLU 44 CO 0.03 0.31 -1.03 -3.47 -1.40 0.00 0.00 179.01 173.46 3ag1 n ASP 45 N -3.14 2.04 -4.79 1.42 4.64 -0.69 -5.12 116.55 110.91 3ag1 n ASP 45 Ca 0.02 -3.20 -0.33 0.00 -1.38 0.00 0.00 54.79 49.90 3ag1 n ASP 45 Cb 0.67 -0.59 0.03 0.00 -1.04 0.00 0.00 41.12 40.19 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 -2.82 3.09 0.08 -0.67 0.04 -0.96 -1.65 135.00 132.11 3ag1 s PRO 46 Ca 0.42 1.26 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 3ag1 s PRO 46 Cb 0.34 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.79 3ag1 s PRO 46 CO -0.09 -1.00 1.77 -0.80 0.04 0.00 0.00 177.00 176.92 3ag1 s ASN 47 N -2.76 6.51 -0.29 6.66 0.01 -0.45 -4.83 114.94 119.79 3ag1 s ASN 47 Ca 0.65 2.60 -0.19 0.00 -0.71 0.00 0.00 52.86 55.20 3ag1 s ASN 47 Cb -0.18 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 3ag1 s ASN 47 CO 0.40 -0.96 0.59 -0.76 -1.51 0.00 0.00 177.10 174.85 3ag1 s LEU 48 N 3.06 4.13 -0.36 0.60 2.01 -1.26 -0.47 118.68 126.39 3ag1 s LEU 48 Ca 0.79 0.45 -0.06 0.00 0.01 0.00 0.00 54.13 55.33 3ag1 s LEU 48 Cb -0.42 -2.76 0.06 0.00 0.01 0.00 0.00 46.19 43.08 3ag1 s LEU 48 CO 0.35 -0.41 0.13 -0.69 1.01 0.00 0.00 176.35 176.73 3ag1 s VAL 49 N 2.50 3.64 0.51 -1.59 1.01 0.26 -4.93 120.40 121.80 3ag1 s VAL 49 Ca 0.24 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 3ag1 s VAL 49 Cb -0.15 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 3ag1 s VAL 49 CO 0.11 -0.30 1.24 -2.84 0.00 0.00 0.00 175.10 173.31 3ag1 s PRO 50 N 1.34 3.41 -0.01 2.72 0.02 -1.26 -0.95 135.00 140.27 3ag1 s PRO 50 Ca -0.00 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 3ag1 s PRO 50 Cb -0.21 -2.27 0.02 0.00 0.02 0.00 0.00 34.50 32.06 3ag1 s PRO 50 CO 0.01 -0.88 0.28 0.45 -0.33 0.00 0.00 177.00 176.53 3ag1 s SER 51 N -1.27 -0.16 0.00 2.53 0.15 -0.82 -4.84 113.70 109.29 3ag1 s SER 51 Ca 0.69 0.04 0.29 0.00 0.70 0.00 0.00 55.95 57.67 3ag1 s SER 51 Cb -0.33 0.30 1.21 0.00 -1.71 0.00 0.00 66.02 65.49 3ag1 s SER 51 CO 0.39 -0.43 1.87 2.30 1.20 0.00 0.00 173.24 178.56 3ag1 n ILE 52 N 1.32 0.00 -2.55 6.45 -5.35 -1.26 0.31 119.36 118.27 3ag1 n ILE 52 Ca -0.22 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3ag1 n ILE 52 Cb 0.56 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 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 -1.23 0.00 0.56 7.28 -2.24 -1.26 -4.77 114.28 112.62 3ag1 n THR 53 Ca 0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 3ag1 n THR 53 Cb 0.29 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.66 3ag1 n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ag1 n ASN 54 N 0.00 3.03 -3.61 3.42 6.94 -1.26 -4.70 115.26 119.08 3ag1 n ASN 54 Ca 0.00 -1.91 -0.15 0.00 -0.02 0.00 0.00 54.58 52.50 3ag1 n ASN 54 Cb 0.00 -0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 3ag1 n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3ag1 s LYS 55 N -1.57 0.96 -0.10 -3.83 -2.85 -1.26 -0.11 119.74 110.99 3ag1 s LYS 55 Ca 0.30 -0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.98 3ag1 s LYS 55 Cb 0.19 0.44 0.04 0.00 -2.06 0.00 0.00 37.83 36.44 3ag1 s LYS 55 CO 0.27 -0.32 0.43 0.50 0.10 0.00 0.00 175.35 176.33 3ag1 s ARG 56 N -1.92 0.64 0.05 1.78 3.52 0.43 -4.94 118.95 118.51 3ag1 s ARG 56 Ca -0.08 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 3ag1 s ARG 56 Cb -0.01 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 3ag1 s ARG 56 CO 0.02 -0.14 1.05 0.42 -0.81 0.00 0.00 175.30 175.84 3ag1 s ILE 57 N -0.52 4.48 -0.13 4.11 1.01 -1.26 0.37 121.20 129.26 3ag1 s ILE 57 Ca -0.06 1.85 -0.03 0.00 0.00 0.00 0.00 60.65 62.40 3ag1 s ILE 57 Cb -0.03 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3ag1 s ILE 57 CO 0.03 0.18 -0.03 -0.69 0.00 0.00 0.00 174.94 174.44 3ag1 s VAL 58 N 0.75 4.01 -0.19 2.92 1.01 0.16 -4.91 120.40 124.15 3ag1 s VAL 58 Ca 0.53 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 3ag1 s VAL 58 Cb -0.25 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3ag1 s VAL 58 CO 0.29 0.52 0.04 -0.83 0.00 0.00 0.00 175.10 175.12 3ag1 s GLY 59 N -0.01 1.83 -0.23 4.51 0.00 -1.26 -0.91 107.32 111.25 3ag1 s GLY 59 Ca 0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 3ag1 s GLY 59 CO 0.02 0.11 0.05 0.00 0.00 0.00 0.00 173.10 173.28 3ag1 s ILE 61 N 1.31 5.03 0.34 0.00 1.01 -1.26 -1.48 121.20 126.15 3ag1 s ILE 61 Ca 0.05 -1.90 0.01 0.00 0.00 0.00 0.00 60.65 58.81 3ag1 s ILE 61 Cb -0.15 -4.68 0.25 0.00 0.01 0.00 0.00 42.46 37.90 3ag1 s ILE 61 CO 0.03 -1.35 1.99 0.00 0.00 0.00 0.00 174.94 175.60 3ag1 s GLU 63 N -5.70 0.53 0.30 0.00 2.02 -1.26 -5.07 118.70 109.53 3ag1 s GLU 63 Ca -0.10 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 3ag1 s GLU 63 Cb 0.17 -0.06 -0.11 0.00 0.10 0.00 0.00 34.13 34.23 3ag1 s GLU 63 CO 0.77 -0.02 1.49 -2.00 0.02 0.00 0.00 175.26 175.52 3ag1 s GLU 64 N -2.36 4.19 0.00 1.61 2.12 -1.26 -1.37 118.70 121.63 3ag1 s GLU 64 Ca -0.05 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.73 3ag1 s GLU 64 Cb -0.04 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.31 3ag1 s GLU 64 CO -0.03 -0.49 0.00 -0.25 -0.54 0.00 0.00 175.26 173.95 3ag1 n ASP 65 N 1.65 -2.54 -4.61 -1.70 10.43 -1.26 -4.99 116.55 113.53 3ag1 n ASP 65 Ca 0.05 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 56.95 3ag1 n ASP 65 Cb 0.39 -1.77 -0.03 0.00 1.84 0.00 0.00 41.12 41.55 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 -0.30 1.70 -0.12 -2.24 4.13 -0.47 -4.91 115.26 113.06 3ag1 n ASN 66 Ca 0.00 1.16 0.11 0.00 1.68 0.00 0.00 54.58 57.54 3ag1 n ASN 66 Cb 0.15 -1.30 0.12 0.00 -1.54 0.00 0.00 39.78 37.20 3ag1 n ASN 66 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ag1 n SER 67 N 1.65 0.97 -4.51 6.41 3.41 -1.26 -4.85 113.62 115.45 3ag1 n SER 67 Ca 0.11 -0.78 -0.36 0.00 -0.26 0.00 0.00 58.87 57.58 3ag1 n SER 67 Cb 0.30 0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.84 4.48 0.13 6.66 2.01 -1.26 -5.10 115.64 119.72 3ag1 s THR 68 Ca 0.14 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 3ag1 s THR 68 Cb 0.17 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.54 3ag1 s THR 68 CO 0.70 0.37 0.74 -0.69 -0.69 0.00 0.00 174.62 175.05 3ag1 s VAL 69 N 1.25 4.50 -0.33 3.82 1.01 -1.26 -4.77 120.40 124.62 3ag1 s VAL 69 Ca 0.05 1.60 -0.17 0.00 0.00 0.00 0.00 61.98 63.45 3ag1 s VAL 69 Cb -0.15 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3ag1 s VAL 69 CO 0.04 0.50 0.49 -0.63 0.00 0.00 0.00 175.10 175.49 3ag1 s ILE 70 N -0.94 5.05 -0.12 2.22 -1.09 -0.55 -4.88 121.20 120.89 3ag1 s ILE 70 Ca 0.35 0.42 -0.05 0.00 -2.23 0.00 0.00 60.65 59.14 3ag1 s ILE 70 Cb -0.22 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3ag1 s ILE 70 CO 0.24 -0.12 0.05 0.26 -1.23 0.00 0.00 174.94 174.15 3ag1 s TRP 71 N 2.32 3.31 0.06 3.97 0.52 -1.26 0.53 118.94 128.38 3ag1 s TRP 71 Ca 0.18 0.25 -0.27 0.00 0.02 0.00 0.00 56.10 56.28 3ag1 s TRP 71 Cb -0.16 -1.90 0.07 0.00 -1.15 0.00 0.00 33.47 30.34 3ag1 s TRP 71 CO 0.12 0.46 0.66 -0.59 0.02 0.00 0.00 176.95 177.63 3ag1 s PHE 72 N -0.61 -0.57 -0.14 -1.98 -0.12 -0.09 -4.99 117.98 109.48 3ag1 s PHE 72 Ca 0.11 0.65 -0.29 0.00 -0.05 0.00 0.00 56.93 57.35 3ag1 s PHE 72 Cb -0.12 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 3ag1 s PHE 72 CO 0.02 -0.72 1.14 -1.58 -0.05 0.00 0.00 175.22 174.04 3ag1 s TRP 73 N -2.60 3.19 -0.21 3.49 0.52 -1.26 0.37 118.94 122.43 3ag1 s TRP 73 Ca -0.04 1.29 -0.16 0.00 0.02 0.00 0.00 56.10 57.21 3ag1 s TRP 73 Cb -0.01 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 3ag1 s TRP 73 CO -0.03 -1.03 0.41 -1.17 0.02 0.00 0.00 176.95 175.15 3ag1 s LEU 74 N 2.76 4.13 -0.01 2.99 2.96 0.16 -4.93 118.68 126.75 3ag1 s LEU 74 Ca 0.51 0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 54.83 3ag1 s LEU 74 Cb -0.20 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 3ag1 s LEU 74 CO 0.15 -0.11 0.30 -1.00 -1.32 0.00 0.00 176.35 174.38 3ag1 s HIS 75 N 1.49 3.62 0.08 5.38 3.76 -1.26 -0.43 115.29 127.93 3ag1 s HIS 75 Ca 0.19 0.71 -0.37 0.00 -0.15 0.00 0.00 55.06 55.44 3ag1 s HIS 75 Cb -0.15 -2.09 -0.18 0.00 1.11 0.00 0.00 32.58 31.28 3ag1 s HIS 75 CO 0.08 0.63 1.18 1.17 -0.85 0.00 0.00 174.74 176.96 3ag1 n LYS 76 N 1.42 0.74 0.00 1.40 4.81 0.85 -4.51 118.16 122.86 3ag1 n LYS 76 Ca -0.13 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3ag1 n LYS 76 Cb 0.53 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 2.08 0.52 3.83 3.14 0.00 -1.26 -5.06 105.19 108.44 3ag1 n GLY 77 Ca 0.18 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 3ag1 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag1 s GLU 78 N -1.58 2.95 0.38 1.61 2.02 -1.26 -4.73 118.70 118.09 3ag1 s GLU 78 Ca 0.00 0.88 -0.27 0.00 0.02 0.00 0.00 54.97 55.60 3ag1 s GLU 78 Cb 0.00 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 32.14 3ag1 s GLU 78 CO 0.00 -1.07 1.29 0.00 0.02 0.00 0.00 175.26 175.50 3ag1 s ALA 79 N -3.08 3.33 0.40 5.21 0.00 -1.26 -4.87 121.76 121.48 3ag1 s ALA 79 Ca 0.58 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.82 3ag1 s ALA 79 Cb -0.14 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 3ag1 s ALA 79 CO 0.55 -0.73 0.12 -0.65 0.00 0.00 0.00 175.76 175.05 3ag1 s GLN 80 N -2.09 2.15 0.12 0.00 -0.21 0.14 -4.91 119.66 114.86 3ag1 s GLN 80 Ca 0.54 -1.87 0.11 0.00 0.02 0.00 0.00 55.36 54.15 3ag1 s GLN 80 Cb -0.38 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 3ag1 s GLN 80 CO 0.49 -0.06 -0.26 1.03 -2.12 0.00 0.00 175.29 174.37 3ag1 s ARG 81 N -3.84 1.43 0.14 2.91 0.52 -1.26 -0.60 118.95 118.26 3ag1 s ARG 81 Ca 0.39 -1.30 -0.31 0.00 -0.52 0.00 0.00 55.73 53.98 3ag1 s ARG 81 Cb 0.04 -1.87 -0.10 0.00 0.52 0.00 0.00 34.95 33.55 3ag1 s ARG 81 CO 0.21 0.45 1.66 0.00 0.02 0.00 0.00 175.30 177.64 3ag1 h PRO 83 N 7.46 0.00 0.04 0.00 0.11 -1.96 0.45 132.00 138.10 3ag1 h PRO 83 Ca -0.43 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.34 3ag1 h PRO 83 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3ag1 h PRO 83 CO 0.93 0.00 -1.90 0.45 -0.21 0.00 0.00 178.00 177.27 3ag1 n SER 84 N -4.18 1.98 -0.13 -2.05 2.88 -1.26 -4.68 113.62 106.19 3ag1 n SER 84 Ca 0.04 0.26 0.02 0.00 -1.33 0.00 0.00 58.87 57.86 3ag1 n SER 84 Cb 0.39 -0.83 0.01 0.00 -0.75 0.00 0.00 64.21 63.03 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 0.39 1.02 3.69 0.00 0.00 0.14 -4.92 105.19 105.51 3ag1 n GLY 86 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3ag1 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag1 n THR 87 N -2.00 4.22 -3.48 2.61 -2.24 -1.26 -4.37 114.28 107.76 3ag1 n THR 87 Ca 0.00 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 3ag1 n THR 87 Cb 0.00 -1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 66.76 3ag1 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ag1 s HIS 88 N -1.40 3.57 0.03 4.78 0.09 0.31 -0.54 115.29 122.14 3ag1 s HIS 88 Ca 0.77 0.82 0.05 0.00 -0.00 0.00 0.00 55.06 56.70 3ag1 s HIS 88 Cb -0.41 -2.37 -0.02 0.00 -0.00 0.00 0.00 32.58 29.79 3ag1 s HIS 88 CO 0.45 0.38 -0.14 0.71 -0.00 0.00 0.00 174.74 176.14 3ag1 s TYR 89 N -0.09 1.20 -0.04 1.40 2.02 0.23 -1.35 117.35 120.72 3ag1 s TYR 89 Ca 0.22 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3ag1 s TYR 89 Cb -0.15 -0.72 0.03 0.00 -0.40 0.00 0.00 41.96 40.72 3ag1 s TYR 89 CO 0.09 0.03 0.02 0.21 -1.57 0.00 0.00 175.55 174.32 3ag1 s LYS 90 N -1.04 0.30 0.12 -0.62 2.20 0.38 -0.68 119.74 120.39 3ag1 s LYS 90 Ca 0.02 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 3ag1 s LYS 90 Cb -0.07 -0.64 -0.06 0.00 -1.51 0.00 0.00 37.83 35.54 3ag1 s LYS 90 CO 0.01 -0.24 1.05 -1.17 -0.36 0.00 0.00 175.35 174.65 3ag1 s LEU 91 N 1.61 4.46 -0.43 5.43 2.96 -1.26 -0.57 118.68 130.88 3ag1 s LEU 91 Ca -0.01 1.94 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 3ag1 s LEU 91 Cb -0.13 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.09 3ag1 s LEU 91 CO -0.03 -0.21 0.17 0.68 -1.32 0.00 0.00 176.35 175.64 3ag1 s VAL 92 N 0.15 2.71 0.33 1.68 -7.23 -0.13 -4.68 120.40 113.23 3ag1 s VAL 92 Ca 0.50 -2.57 -0.29 0.00 -1.81 0.00 0.00 61.98 57.81 3ag1 s VAL 92 Cb -0.26 -2.91 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 3ag1 s VAL 92 CO 0.32 -0.69 1.33 -2.84 -0.31 0.00 0.00 175.10 172.91 3ag1 s PRO 93 N 0.58 4.33 0.00 4.82 0.02 -1.26 -1.94 135.00 141.54 3ag1 s PRO 93 Ca 0.12 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3ag1 s PRO 93 Cb -0.22 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3ag1 s PRO 93 CO -0.05 -0.24 0.00 0.72 -0.33 0.00 0.00 177.00 177.10 3ag1 n HIS 94 N 0.85 0.00 0.00 6.54 8.25 0.15 -4.87 115.22 126.14 3ag1 n HIS 94 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ag1 n HIS 94 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.12 0.00 0.00 -0.41 3.00 -1.26 -4.83 117.38 113.76 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 -4.44 1.08 0.00 -1.26 -4.65 117.00 107.73 3ag1 n LEU 96 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.79 3ag1 n LEU 96 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 3ag1 n LEU 96 CO 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 177.39 177.02 3ag1 s ALA 97 N 0.00 2.40 -2.59 1.96 0.00 -1.26 -4.98 121.76 117.29 3ag1 s ALA 97 Ca 0.00 -1.91 0.21 0.00 0.00 0.00 0.00 51.96 50.26 3ag1 s ALA 97 Cb 0.00 0.13 0.16 0.00 0.00 0.00 0.00 23.12 23.42 3ag1 s ALA 97 CO 0.00 -0.04 1.16 0.72 0.00 0.00 0.00 175.76 177.60