#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n SER 2 N 0.00 0.00 0.00 0.00 3.41 -1.26 -5.20 113.62 110.57 3ag4 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ag4 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ag4 n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag4 n GLY 3 N 0.00 0.79 0.00 5.00 0.00 -1.26 -5.18 105.19 104.54 3ag4 n GLY 3 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3ag4 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 4 N -1.79 4.49 0.00 -0.02 0.00 -1.26 -5.01 105.19 101.60 3ag4 n GLY 4 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3ag4 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 5 N 4.94 0.74 3.32 -0.02 0.00 -1.26 -5.07 105.19 107.84 3ag4 n GLY 5 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ag4 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ag4 s VAL 6 N -2.00 3.18 0.78 1.61 1.01 -1.26 -5.10 120.40 118.62 3ag4 s VAL 6 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3ag4 s VAL 6 Cb 0.00 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 34.04 3ag4 s VAL 6 CO 0.00 0.47 1.15 -2.16 0.00 0.00 0.00 175.10 174.56 3ag4 s PRO 7 N 1.06 1.97 0.36 2.72 0.04 -1.26 -5.05 135.00 134.84 3ag4 s PRO 7 Ca 0.00 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.62 3ag4 s PRO 7 Cb -0.15 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3ag4 s PRO 7 CO -0.01 -1.91 0.39 0.95 0.04 0.00 0.00 177.00 176.46 3ag4 s THR 8 N -2.44 3.42 0.22 1.26 -4.23 -1.26 -4.98 115.64 107.62 3ag4 s THR 8 Ca 0.68 -1.22 -0.08 0.00 -1.18 0.00 0.00 61.69 59.89 3ag4 s THR 8 Cb -0.23 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.60 3ag4 s THR 8 CO 0.51 -0.11 1.83 0.44 -0.54 0.00 0.00 174.62 176.74 3ag4 h ASP 9 N 1.03 0.68 -0.48 3.99 3.32 -1.97 0.02 116.42 123.02 3ag4 h ASP 9 Ca -0.44 0.02 0.09 0.00 0.02 0.00 0.00 57.03 56.72 3ag4 h ASP 9 Cb 1.26 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 3ag4 h ASP 9 CO 0.55 0.44 0.05 -0.08 -1.72 0.00 0.00 179.24 178.48 3ag4 h GLU 10 N 0.81 0.17 -0.62 3.56 4.57 -1.95 0.65 114.58 121.77 3ag4 h GLU 10 Ca 0.33 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.42 3ag4 h GLU 10 Cb 0.16 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3ag4 h GLU 10 CO -0.17 0.11 0.09 0.93 -1.18 0.00 0.00 179.01 178.78 3ag4 h GLU 11 N 0.17 1.04 0.00 1.92 5.08 -1.89 -3.41 114.58 117.49 3ag4 h GLU 11 Ca 0.24 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ag4 h GLU 11 Cb 0.34 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ag4 h GLU 11 CO -0.35 0.98 -0.35 0.94 -1.00 0.00 0.00 179.01 179.23 3ag4 n GLN 12 N -4.26 3.76 -1.80 2.33 7.27 -0.03 -4.97 117.38 119.67 3ag4 n GLN 12 Ca 0.03 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.72 3ag4 n GLN 12 Cb 0.29 -0.62 0.04 0.00 2.41 0.00 0.00 30.24 32.36 3ag4 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ag4 s ALA 13 N -1.17 2.84 0.31 1.69 0.00 0.18 -5.02 121.76 120.58 3ag4 s ALA 13 Ca 0.00 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.31 3ag4 s ALA 13 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3ag4 s ALA 13 CO 0.00 -1.34 0.31 -0.08 0.00 0.00 0.00 175.76 174.65 3ag4 s THR 14 N -1.31 0.00 0.00 0.00 -1.32 -1.26 -4.71 115.64 107.04 3ag4 s THR 14 Ca 0.71 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 3ag4 s THR 14 Cb -0.40 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 3ag4 s THR 14 CO 0.47 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.49 3ag4 n GLY 15 N -0.54 1.74 0.22 6.08 0.00 -1.26 -1.60 105.19 109.82 3ag4 n GLY 15 Ca 0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 3ag4 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ag4 h LEU 16 N 0.00 0.30 -0.68 0.99 5.85 -2.00 -1.85 115.31 117.93 3ag4 h LEU 16 Ca 0.00 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.69 3ag4 h LEU 16 Cb 0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3ag4 h LEU 16 CO 0.00 0.60 0.36 -0.08 -0.34 0.00 0.00 178.44 178.98 3ag4 h GLU 17 N 0.26 0.64 -0.44 1.25 4.81 -1.95 -0.60 114.58 118.55 3ag4 h GLU 17 Ca 0.04 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3ag4 h GLU 17 Cb 0.67 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3ag4 h GLU 17 CO 0.05 0.42 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.65 3ag4 h ARG 18 N 0.65 0.78 -0.33 1.92 2.43 -0.47 -1.46 114.38 117.90 3ag4 h ARG 18 Ca 0.32 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3ag4 h ARG 18 Cb 0.25 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3ag4 h ARG 18 CO -0.21 0.85 0.10 0.93 -1.51 0.00 0.00 179.97 180.13 3ag4 h GLU 19 N 0.62 0.23 -0.57 0.20 5.08 -1.04 0.20 114.58 119.29 3ag4 h GLU 19 Ca 0.12 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3ag4 h GLU 19 Cb 0.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3ag4 h GLU 19 CO 0.02 0.15 0.14 0.28 -1.00 0.00 0.00 179.01 178.61 3ag4 h VAL 20 N 0.23 1.25 -0.59 3.13 2.07 -0.98 -2.00 116.25 119.36 3ag4 h VAL 20 Ca 0.15 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3ag4 h VAL 20 Cb 0.14 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3ag4 h VAL 20 CO -0.17 0.33 0.24 -0.03 0.02 0.00 0.00 177.57 177.96 3ag4 h MET 21 N 0.82 0.88 -0.26 1.57 1.85 -0.77 -1.72 114.93 117.31 3ag4 h MET 21 Ca 0.18 -0.16 -0.04 0.00 -0.61 0.00 0.00 59.70 59.08 3ag4 h MET 21 Cb 0.34 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 3ag4 h MET 21 CO 0.00 0.75 0.01 -0.07 -0.40 0.00 0.00 176.91 177.20 3ag4 h LEU 22 N 0.82 0.44 -0.78 3.39 3.38 -0.53 -2.49 115.31 119.54 3ag4 h LEU 22 Ca 0.20 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3ag4 h LEU 22 Cb 0.19 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3ag4 h LEU 22 CO -0.02 0.63 0.50 0.00 0.09 0.00 0.00 178.44 179.65 3ag4 h ALA 23 N 0.83 1.01 -0.55 1.53 0.00 -1.36 -2.04 119.26 118.68 3ag4 h ALA 23 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ag4 h ALA 23 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ag4 h ALA 23 CO 0.01 0.34 0.35 0.00 0.00 0.00 0.00 179.25 179.95 3ag4 h ALA 24 N 1.31 1.58 -0.08 0.00 0.00 -1.18 0.46 119.26 121.35 3ag4 h ALA 24 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ag4 h ALA 24 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ag4 h ALA 24 CO -0.10 0.38 -0.37 -0.09 0.00 0.00 0.00 179.25 179.08 3ag4 h ARG 25 N 0.75 0.16 -0.26 0.00 2.43 -0.92 -1.20 114.38 115.35 3ag4 h ARG 25 Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3ag4 h ARG 25 Cb -0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3ag4 h ARG 25 CO -0.04 0.51 0.00 1.63 -1.51 0.00 0.00 179.97 180.56 3ag4 n LYS 26 N -4.07 1.55 -1.40 0.20 5.02 -0.60 -4.91 118.16 113.95 3ag4 n LYS 26 Ca -0.01 -0.80 -0.14 0.00 -2.02 0.00 0.00 58.31 55.34 3ag4 n LYS 26 Cb 0.43 -1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 3ag4 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag4 n GLY 27 N 0.81 1.39 3.98 0.72 0.00 -0.45 -5.02 105.19 106.62 3ag4 n GLY 27 Ca 0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 3ag4 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag4 s GLN 28 N -3.09 3.15 -0.41 1.61 -0.21 0.15 -4.95 119.66 115.91 3ag4 s GLN 28 Ca 0.00 -0.89 0.11 0.00 0.02 0.00 0.00 55.36 54.60 3ag4 s GLN 28 Cb 0.00 -2.78 0.34 0.00 1.00 0.00 0.00 33.01 31.57 3ag4 s GLN 28 CO 0.00 0.05 0.75 -3.47 -2.12 0.00 0.00 175.29 170.49 3ag4 n ASP 29 N -1.69 1.37 0.13 5.90 2.03 -1.26 -3.79 116.55 119.24 3ag4 n ASP 29 Ca -0.01 -3.09 0.12 0.00 0.52 0.00 0.00 54.79 52.33 3ag4 n ASP 29 Cb 0.58 -0.61 0.49 0.00 -0.72 0.00 0.00 41.12 40.86 3ag4 n ASP 29 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ag4 n PRO 30 N 0.30 0.20 -0.60 -0.67 -0.04 -1.26 -2.70 135.00 130.23 3ag4 n PRO 30 Ca 0.26 0.41 0.05 0.00 -0.04 0.00 0.00 63.50 64.18 3ag4 n PRO 30 Cb 0.61 -1.88 0.27 0.00 -0.04 0.00 0.00 33.50 32.46 3ag4 n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ag4 n TYR 31 N -2.26 1.23 -3.46 0.54 4.02 -1.26 -4.98 117.16 110.99 3ag4 n TYR 31 Ca 0.02 -1.02 -0.24 0.00 -0.01 0.00 0.00 57.90 56.66 3ag4 n TYR 31 Cb 0.24 -0.40 0.07 0.00 -0.02 0.00 0.00 39.34 39.23 3ag4 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ag4 n ASN 32 N -0.49 -6.33 0.08 7.72 3.02 -1.10 -4.87 115.26 113.30 3ag4 n ASN 32 Ca 0.26 -0.48 -0.10 0.00 -0.03 0.00 0.00 54.58 54.23 3ag4 n ASN 32 Cb 1.00 -5.00 -0.11 0.00 -0.61 0.00 0.00 39.78 35.06 3ag4 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ag4 h ILE 33 N -2.41 1.62 -2.91 2.41 2.04 -1.94 -3.45 117.51 112.87 3ag4 h ILE 33 Ca -0.56 -3.20 -0.62 0.00 1.00 0.00 0.00 64.86 61.48 3ag4 h ILE 33 Cb 1.37 2.82 -0.04 0.00 -0.74 0.00 0.00 36.82 40.23 3ag4 h ILE 33 CO 0.56 0.92 -0.50 -0.76 0.00 0.00 0.00 178.15 178.37 3ag4 s LEU 34 N -6.94 4.34 0.01 1.44 1.43 -1.26 -5.07 118.68 112.63 3ag4 s LEU 34 Ca -0.01 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 3ag4 s LEU 34 Cb 0.09 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 3ag4 s LEU 34 CO 0.84 0.17 1.30 0.00 0.23 0.00 0.00 176.35 178.89 3ag4 s ALA 35 N -1.51 3.51 0.46 4.21 0.00 -1.26 -5.04 121.76 122.14 3ag4 s ALA 35 Ca 0.35 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.89 3ag4 s ALA 35 Cb -0.13 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 3ag4 s ALA 35 CO 0.28 -0.73 1.35 -1.25 0.00 0.00 0.00 175.76 175.41 3ag4 s PRO 36 N 1.91 3.64 0.14 0.00 0.04 -1.26 -5.02 135.00 134.45 3ag4 s PRO 36 Ca 0.60 2.24 -0.22 0.00 0.04 0.00 0.00 61.00 63.67 3ag4 s PRO 36 Cb -0.30 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 3ag4 s PRO 36 CO 0.26 -0.79 0.68 0.21 0.04 0.00 0.00 177.00 177.40 3ag4 s LYS 37 N -2.52 4.35 0.37 4.56 2.47 -1.26 -5.06 119.74 122.65 3ag4 s LYS 37 Ca 0.63 0.92 -0.24 0.00 -1.56 0.00 0.00 55.97 55.72 3ag4 s LYS 37 Cb -0.40 -3.16 -0.10 0.00 -1.46 0.00 0.00 37.83 32.71 3ag4 s LYS 37 CO 0.50 0.56 0.96 0.00 0.16 0.00 0.00 175.35 177.53 3ag4 s ALA 38 N -1.22 3.13 0.65 3.13 0.00 -1.26 -5.01 121.76 121.18 3ag4 s ALA 38 Ca 0.35 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3ag4 s ALA 38 Cb -0.20 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3ag4 s ALA 38 CO 0.22 0.10 0.00 0.25 0.00 0.00 0.00 175.76 176.33 3ag4 n THR 39 N 0.05 0.00 0.61 0.00 -2.24 -1.26 -4.95 114.28 106.49 3ag4 n THR 39 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 3ag4 n THR 39 Cb 0.51 -1.65 0.46 0.00 -2.10 0.00 0.00 70.33 67.55 3ag4 n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ag4 n SER 40 N -2.66 0.45 -0.15 3.42 3.41 -1.26 -4.90 113.62 111.94 3ag4 n SER 40 Ca 0.00 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 3ag4 n SER 40 Cb 0.00 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 3ag4 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag4 n GLY 41 N 0.71 0.53 3.94 5.00 0.00 -0.79 -4.92 105.19 109.65 3ag4 n GLY 41 Ca 0.04 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 3ag4 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag4 s THR 42 N -1.93 2.04 0.35 2.61 -4.23 -1.15 -0.84 115.64 112.48 3ag4 s THR 42 Ca 0.00 -0.11 0.12 0.00 -1.18 0.00 0.00 61.69 60.52 3ag4 s THR 42 Cb 0.00 -2.93 0.34 0.00 1.34 0.00 0.00 72.50 71.25 3ag4 s THR 42 CO 0.00 0.00 1.76 0.50 -0.54 0.00 0.00 174.62 176.34 3ag4 h LYS 43 N -1.32 0.54 0.00 3.99 3.64 -1.95 -2.35 116.57 119.12 3ag4 h LYS 43 Ca -0.43 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 3ag4 h LYS 43 Cb 1.26 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3ag4 h LYS 43 CO 0.43 0.36 -1.36 0.39 -2.27 0.00 0.00 179.45 177.00 3ag4 n GLU 44 N -4.74 0.62 -3.20 1.90 4.71 -1.26 -4.28 120.64 114.39 3ag4 n GLU 44 Ca 0.25 0.18 -0.24 0.00 -0.01 0.00 0.00 57.16 57.34 3ag4 n GLU 44 Cb 0.74 -1.79 -0.06 0.00 -1.01 0.00 0.00 31.44 29.32 3ag4 n GLU 44 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3ag4 n ASP 45 N -2.81 1.90 -4.78 1.62 4.64 -0.93 -5.11 116.55 111.08 3ag4 n ASP 45 Ca -0.08 -3.11 -0.32 0.00 -1.38 0.00 0.00 54.79 49.90 3ag4 n ASP 45 Cb 0.77 -0.63 0.06 0.00 -1.04 0.00 0.00 41.12 40.28 3ag4 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ag4 s PRO 46 N -2.18 2.65 0.13 -0.67 0.04 -0.94 -1.88 135.00 132.15 3ag4 s PRO 46 Ca 0.40 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 3ag4 s PRO 46 Cb 0.23 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.73 3ag4 s PRO 46 CO -0.08 -1.34 1.58 -0.80 0.04 0.00 0.00 177.00 176.40 3ag4 s ASN 47 N -3.22 6.61 -0.27 6.66 0.01 -0.12 -4.78 114.94 119.83 3ag4 s ASN 47 Ca 0.62 2.55 -0.12 0.00 -0.71 0.00 0.00 52.86 55.20 3ag4 s ASN 47 Cb -0.17 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 3ag4 s ASN 47 CO 0.50 -0.83 0.24 -0.76 -1.51 0.00 0.00 177.10 174.74 3ag4 s LEU 48 N 1.65 4.05 -0.35 0.60 2.01 -1.26 0.28 118.68 125.66 3ag4 s LEU 48 Ca 0.71 0.11 -0.03 0.00 0.01 0.00 0.00 54.13 54.93 3ag4 s LEU 48 Cb -0.42 -2.21 0.07 0.00 0.01 0.00 0.00 46.19 43.63 3ag4 s LEU 48 CO 0.31 -0.06 0.09 -0.69 1.01 0.00 0.00 176.35 177.01 3ag4 s VAL 49 N 1.69 3.29 0.48 -1.59 1.01 -0.51 -4.97 120.40 119.80 3ag4 s VAL 49 Ca 0.10 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.32 3ag4 s VAL 49 Cb -0.15 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 3ag4 s VAL 49 CO 0.09 -0.32 1.12 -2.16 0.00 0.00 0.00 175.10 173.83 3ag4 s PRO 50 N 1.25 3.70 0.01 2.72 0.05 -1.26 -1.28 135.00 140.19 3ag4 s PRO 50 Ca 0.00 1.62 -0.12 0.00 0.05 0.00 0.00 61.00 62.55 3ag4 s PRO 50 Cb -0.21 -2.25 0.01 0.00 0.05 0.00 0.00 34.50 32.11 3ag4 s PRO 50 CO -0.01 -0.57 0.25 0.45 0.05 0.00 0.00 177.00 177.18 3ag4 s SER 51 N -1.62 -0.09 0.00 6.66 0.15 -1.05 -4.87 113.70 112.87 3ag4 s SER 51 Ca 0.66 -0.12 0.19 0.00 0.70 0.00 0.00 55.95 57.38 3ag4 s SER 51 Cb -0.24 0.30 0.52 0.00 -1.71 0.00 0.00 66.02 64.88 3ag4 s SER 51 CO 0.29 -0.49 1.42 2.30 1.20 0.00 0.00 173.24 177.96 3ag4 n ILE 52 N 1.03 0.55 -3.82 6.45 -5.35 -1.26 0.13 119.36 117.09 3ag4 n ILE 52 Ca -0.21 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 3ag4 n ILE 52 Cb 0.57 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3ag4 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ag4 n THR 53 N 0.97 0.00 0.61 7.28 -2.24 -1.26 -4.63 114.28 115.01 3ag4 n THR 53 Ca 0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 3ag4 n THR 53 Cb 0.45 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.93 3ag4 n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag4 n ASN 54 N -2.22 2.51 -3.57 3.42 3.02 -1.26 -4.61 115.26 112.55 3ag4 n ASN 54 Ca 0.00 -1.93 -0.14 0.00 -0.03 0.00 0.00 54.58 52.48 3ag4 n ASN 54 Cb 0.00 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 3ag4 n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ag4 s LYS 55 N -1.47 1.06 -0.20 3.52 -2.85 -1.26 0.23 119.74 118.77 3ag4 s LYS 55 Ca 0.33 -0.28 -0.19 0.00 -1.00 0.00 0.00 55.97 54.83 3ag4 s LYS 55 Cb 0.18 0.48 0.05 0.00 -2.06 0.00 0.00 37.83 36.48 3ag4 s LYS 55 CO 0.24 -0.39 0.55 0.50 0.10 0.00 0.00 175.35 176.35 3ag4 s ARG 56 N -2.62 0.65 0.11 1.78 3.52 0.40 -4.94 118.95 117.85 3ag4 s ARG 56 Ca -0.04 0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 3ag4 s ARG 56 Cb -0.00 0.31 -0.07 0.00 -1.56 0.00 0.00 34.95 33.63 3ag4 s ARG 56 CO -0.03 -0.08 1.24 0.42 -0.81 0.00 0.00 175.30 176.03 3ag4 s ILE 57 N 0.24 3.72 0.00 4.11 1.01 -1.26 -0.30 121.20 128.73 3ag4 s ILE 57 Ca -0.00 1.30 0.02 0.00 0.00 0.00 0.00 60.65 61.97 3ag4 s ILE 57 Cb -0.04 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3ag4 s ILE 57 CO 0.01 0.14 -0.01 -0.69 0.00 0.00 0.00 174.94 174.39 3ag4 s VAL 58 N 0.69 4.09 -0.11 2.92 1.01 0.58 -4.90 120.40 124.68 3ag4 s VAL 58 Ca 0.58 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3ag4 s VAL 58 Cb -0.32 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.25 3ag4 s VAL 58 CO 0.32 0.37 -0.19 -0.83 0.00 0.00 0.00 175.10 174.77 3ag4 s GLY 59 N -1.57 1.15 -0.19 4.51 0.00 -1.26 -1.05 107.32 108.92 3ag4 s GLY 59 Ca 0.19 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 3ag4 s GLY 59 CO 0.10 0.01 -0.07 0.00 0.00 0.00 0.00 173.10 173.15 3ag4 s ILE 61 N 0.99 5.12 0.12 0.00 1.01 -1.26 -1.37 121.20 125.81 3ag4 s ILE 61 Ca -0.00 -1.56 -0.15 0.00 0.00 0.00 0.00 60.65 58.94 3ag4 s ILE 61 Cb -0.15 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 37.83 3ag4 s ILE 61 CO 0.00 -1.07 1.61 0.00 0.00 0.00 0.00 174.94 175.48 3ag4 s GLU 63 N -5.20 1.19 0.18 0.00 2.02 -1.26 -5.06 118.70 110.57 3ag4 s GLU 63 Ca -0.13 -1.24 -0.33 0.00 0.02 0.00 0.00 54.97 53.30 3ag4 s GLU 63 Cb 0.10 -1.46 -0.13 0.00 0.10 0.00 0.00 34.13 32.74 3ag4 s GLU 63 CO 0.77 0.33 1.67 -1.91 0.02 0.00 0.00 175.26 176.15 3ag4 n GLU 64 N 0.92 2.49 -0.22 1.61 2.13 -1.26 -1.30 120.64 125.00 3ag4 n GLU 64 Ca -0.18 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3ag4 n GLU 64 Cb 0.54 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.54 3ag4 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ag4 n ASP 65 N 3.89 0.00 -4.59 4.31 10.43 -1.26 -5.00 116.55 124.33 3ag4 n ASP 65 Ca 0.17 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.10 3ag4 n ASP 65 Cb 0.32 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.28 3ag4 n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ag4 n ASN 66 N 0.00 1.09 0.02 -2.24 4.13 -0.42 -4.84 115.26 113.00 3ag4 n ASN 66 Ca 0.00 1.08 0.03 0.00 1.68 0.00 0.00 54.58 57.37 3ag4 n ASN 66 Cb 0.00 -1.31 -0.09 0.00 -1.54 0.00 0.00 39.78 36.84 3ag4 n ASN 66 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ag4 n SER 67 N 0.89 0.59 -4.68 6.41 3.41 -1.26 -4.84 113.62 114.13 3ag4 n SER 67 Ca 0.10 0.25 -0.43 0.00 -0.26 0.00 0.00 58.87 58.53 3ag4 n SER 67 Cb 0.36 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 64.94 3ag4 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ag4 s THR 68 N -3.05 4.64 -0.16 6.66 2.01 -1.26 -5.05 115.64 119.44 3ag4 s THR 68 Ca -0.04 1.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.81 3ag4 s THR 68 Cb 0.09 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3ag4 s THR 68 CO 0.83 -0.05 0.11 -0.69 -0.69 0.00 0.00 174.62 174.13 3ag4 s VAL 69 N 2.39 5.26 -0.24 3.82 1.01 -1.26 -4.61 120.40 126.77 3ag4 s VAL 69 Ca 0.49 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 3ag4 s VAL 69 Cb -0.19 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3ag4 s VAL 69 CO 0.16 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.26 3ag4 s ILE 70 N -0.21 4.80 -0.09 2.22 -1.09 -0.47 -4.89 121.20 121.47 3ag4 s ILE 70 Ca 0.10 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 3ag4 s ILE 70 Cb -0.12 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3ag4 s ILE 70 CO 0.01 0.34 -0.12 0.26 -1.23 0.00 0.00 174.94 174.20 3ag4 s TRP 71 N 1.37 2.81 0.03 3.97 0.52 -1.26 0.10 118.94 126.48 3ag4 s TRP 71 Ca 0.06 -0.30 -0.27 0.00 0.02 0.00 0.00 56.10 55.61 3ag4 s TRP 71 Cb -0.15 -1.74 0.08 0.00 -1.15 0.00 0.00 33.47 30.51 3ag4 s TRP 71 CO 0.05 0.06 0.73 -0.59 0.02 0.00 0.00 176.95 177.23 3ag4 s PHE 72 N -0.29 -0.51 -0.10 -1.98 -0.12 -0.21 -4.99 117.98 109.77 3ag4 s PHE 72 Ca 0.03 0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 57.17 3ag4 s PHE 72 Cb -0.13 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 3ag4 s PHE 72 CO 0.03 -0.66 1.10 -1.58 -0.05 0.00 0.00 175.22 174.06 3ag4 s TRP 73 N -2.59 3.33 -0.29 3.49 0.52 -1.26 -0.31 118.94 121.84 3ag4 s TRP 73 Ca -0.02 1.40 -0.19 0.00 0.02 0.00 0.00 56.10 57.32 3ag4 s TRP 73 Cb -0.01 -3.31 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 3ag4 s TRP 73 CO -0.04 -0.76 0.56 -1.17 0.02 0.00 0.00 176.95 175.56 3ag4 s LEU 74 N 2.27 4.12 0.07 2.99 2.96 0.59 -4.92 118.68 126.77 3ag4 s LEU 74 Ca 0.51 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 3ag4 s LEU 74 Cb -0.21 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3ag4 s LEU 74 CO 0.18 -0.38 0.08 -1.00 -1.32 0.00 0.00 176.35 173.91 3ag4 s HIS 75 N 2.43 3.21 0.44 5.38 3.76 -1.26 -0.45 115.29 128.80 3ag4 s HIS 75 Ca 0.22 0.10 -0.25 0.00 -0.15 0.00 0.00 55.06 54.98 3ag4 s HIS 75 Cb -0.15 -1.64 -0.09 0.00 1.11 0.00 0.00 32.58 31.80 3ag4 s HIS 75 CO 0.11 0.53 1.33 1.17 -0.85 0.00 0.00 174.74 177.02 3ag4 n LYS 76 N 0.57 2.03 0.00 1.40 4.81 0.14 -4.50 118.16 122.60 3ag4 n LYS 76 Ca -0.09 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3ag4 n LYS 76 Cb 0.52 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.09 3ag4 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag4 n GLY 77 N 0.73 0.34 3.76 3.14 0.00 -1.26 -5.04 105.19 106.85 3ag4 n GLY 77 Ca 0.06 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 3ag4 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ag4 s GLU 78 N -0.56 3.13 0.22 1.61 2.12 -1.26 -4.67 118.70 119.29 3ag4 s GLU 78 Ca 0.00 1.90 -0.31 0.00 0.36 0.00 0.00 54.97 56.92 3ag4 s GLU 78 Cb 0.00 -2.07 -0.15 0.00 0.26 0.00 0.00 34.13 32.17 3ag4 s GLU 78 CO 0.00 -1.10 1.20 0.00 -0.54 0.00 0.00 175.26 174.83 3ag4 n ALA 79 N -1.30 -0.06 -2.55 6.30 0.00 -1.26 -4.90 120.51 116.74 3ag4 n ALA 79 Ca 0.12 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.77 3ag4 n ALA 79 Cb 0.48 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 3ag4 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ag4 s GLN 80 N -0.68 2.68 0.04 0.00 -0.21 0.88 -4.91 119.66 117.46 3ag4 s GLN 80 Ca 0.68 -1.31 0.07 0.00 0.02 0.00 0.00 55.36 54.83 3ag4 s GLN 80 Cb -0.75 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 3ag4 s GLN 80 CO 0.53 0.15 -0.18 1.03 -2.12 0.00 0.00 175.29 174.70 3ag4 s ARG 81 N -3.94 2.08 0.12 2.91 0.52 -1.26 0.22 118.95 119.60 3ag4 s ARG 81 Ca 0.39 -0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 54.31 3ag4 s ARG 81 Cb -0.06 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.12 3ag4 s ARG 81 CO 0.25 0.54 1.81 0.00 0.02 0.00 0.00 175.30 177.93 3ag4 n PRO 83 N 5.63 0.25 -0.10 0.00 -0.04 -1.26 0.12 135.00 139.59 3ag4 n PRO 83 Ca 0.17 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 3ag4 n PRO 83 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 3ag4 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ag4 n SER 84 N -1.22 1.58 -0.28 3.54 2.88 -1.26 -4.78 113.62 114.08 3ag4 n SER 84 Ca 0.07 0.22 0.05 0.00 -1.33 0.00 0.00 58.87 57.88 3ag4 n SER 84 Cb 0.09 -0.58 0.01 0.00 -0.75 0.00 0.00 64.21 62.98 3ag4 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag4 n GLY 86 N 0.87 0.66 3.68 0.00 0.00 0.32 -4.94 105.19 105.77 3ag4 n GLY 86 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ag4 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag4 n THR 87 N -2.00 3.80 -3.69 2.61 -2.24 -1.26 -4.30 114.28 107.20 3ag4 n THR 87 Ca 0.00 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 3ag4 n THR 87 Cb 0.00 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 66.78 3ag4 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ag4 s HIS 88 N -1.39 3.59 0.02 4.78 0.09 -0.02 -0.33 115.29 122.03 3ag4 s HIS 88 Ca 0.74 0.66 0.06 0.00 -0.00 0.00 0.00 55.06 56.52 3ag4 s HIS 88 Cb -0.43 -2.14 -0.02 0.00 -0.00 0.00 0.00 32.58 29.99 3ag4 s HIS 88 CO 0.48 0.57 -0.17 0.71 -0.00 0.00 0.00 174.74 176.33 3ag4 s TYR 89 N -0.62 1.48 -0.04 1.40 2.02 0.13 -0.94 117.35 120.78 3ag4 s TYR 89 Ca 0.17 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3ag4 s TYR 89 Cb -0.13 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 3ag4 s TYR 89 CO 0.06 0.02 -0.09 0.21 -1.57 0.00 0.00 175.55 174.19 3ag4 s LYS 90 N -0.79 1.15 0.28 -0.62 2.20 0.14 -0.09 119.74 122.01 3ag4 s LYS 90 Ca 0.05 -0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 3ag4 s LYS 90 Cb -0.07 -1.03 -0.09 0.00 -1.51 0.00 0.00 37.83 35.12 3ag4 s LYS 90 CO 0.01 0.04 1.01 -1.17 -0.36 0.00 0.00 175.35 174.88 3ag4 s LEU 91 N 0.51 4.54 -0.53 5.43 2.96 -1.26 -1.42 118.68 128.90 3ag4 s LEU 91 Ca -0.09 2.08 0.04 0.00 -0.22 0.00 0.00 54.13 55.94 3ag4 s LEU 91 Cb -0.12 -3.70 0.14 0.00 0.50 0.00 0.00 46.19 43.01 3ag4 s LEU 91 CO 0.01 -0.04 0.31 0.68 -1.32 0.00 0.00 176.35 176.00 3ag4 s VAL 92 N -1.25 2.18 0.86 1.68 -7.23 -0.40 -4.72 120.40 111.52 3ag4 s VAL 92 Ca 0.45 -3.28 -0.11 0.00 -1.81 0.00 0.00 61.98 57.23 3ag4 s VAL 92 Cb -0.27 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.28 3ag4 s VAL 92 CO 0.35 -0.90 1.10 -2.84 -0.31 0.00 0.00 175.10 172.50 3ag4 s PRO 93 N -0.35 1.55 0.00 4.82 0.02 -1.26 -2.53 135.00 137.26 3ag4 s PRO 93 Ca 0.20 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.41 3ag4 s PRO 93 Cb -0.19 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3ag4 s PRO 93 CO -0.05 -2.14 0.00 0.72 -0.33 0.00 0.00 177.00 175.20 3ag4 n HIS 94 N -3.86 0.00 0.00 6.54 8.25 0.36 -4.81 115.22 121.69 3ag4 n HIS 94 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3ag4 n HIS 94 Cb 0.53 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3ag4 n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ag4 n GLN 95 N 1.28 0.00 0.00 -0.41 3.00 -1.26 -4.83 117.38 115.16 3ag4 n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3ag4 n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3ag4 n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3ag4 n LEU 96 N 0.00 0.00 -4.82 1.08 0.00 -1.26 -4.88 117.00 107.12 3ag4 n LEU 96 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.65 3ag4 n LEU 96 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 3ag4 n LEU 96 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 177.39 177.73 3ag4 s ALA 97 N 0.00 3.49 -2.00 1.96 0.00 -1.26 -5.09 121.76 118.86 3ag4 s ALA 97 Ca 0.00 0.05 0.16 0.00 0.00 0.00 0.00 51.96 52.17 3ag4 s ALA 97 Cb 0.00 -2.70 0.96 0.00 0.00 0.00 0.00 23.12 21.38 3ag4 s ALA 97 CO 0.00 0.38 1.37 0.72 0.00 0.00 0.00 175.76 178.23