#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n ILE 8 N 0.00 0.00 -0.16 -0.18 0.13 -1.26 -5.07 119.36 112.82 3ag4 n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3ag4 n ILE 8 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3ag4 n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3ag4 n LYS 9 N -2.67 3.47 0.00 9.51 3.00 -1.26 -4.95 118.16 125.26 3ag4 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ag4 n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3ag4 n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ag4 n ASN 10 N 0.00 0.00 0.00 3.14 5.15 -1.26 -5.09 115.26 117.20 3ag4 n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3ag4 n ASN 10 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3ag4 n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ag4 n TYR 11 N -1.85 0.00 -0.02 1.20 4.19 -1.26 -4.96 117.16 114.46 3ag4 n TYR 11 Ca 0.00 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.20 3ag4 n TYR 11 Cb 0.00 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 39.83 3ag4 n TYR 11 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3ag4 n GLN 12 N 0.00 0.10 -4.36 2.98 6.02 -1.26 -5.10 117.38 115.76 3ag4 n GLN 12 Ca 0.00 0.31 -0.21 0.00 -0.01 0.00 0.00 57.00 57.09 3ag4 n GLN 12 Cb 0.00 -0.97 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 3ag4 n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ag4 s THR 13 N -1.29 0.26 0.14 5.09 -1.32 -1.26 -5.12 115.64 112.14 3ag4 s THR 13 Ca -0.03 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.13 3ag4 s THR 13 Cb 0.00 -2.45 -0.10 0.00 -1.51 0.00 0.00 72.50 68.44 3ag4 s THR 13 CO 0.05 0.00 1.67 0.00 -2.21 0.00 0.00 174.62 174.13 3ag4 s ALA 14 N -3.44 3.78 0.80 11.08 0.00 -1.26 -4.99 121.76 127.72 3ag4 s ALA 14 Ca 0.34 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 3ag4 s ALA 14 Cb 0.03 -3.68 0.07 0.00 0.00 0.00 0.00 23.12 19.54 3ag4 s ALA 14 CO 0.20 -0.98 1.10 -1.25 0.00 0.00 0.00 175.76 174.84 3ag4 s PRO 15 N 1.88 2.09 0.06 0.00 0.04 -1.26 -4.97 135.00 132.84 3ag4 s PRO 15 Ca 0.74 0.56 -0.37 0.00 0.04 0.00 0.00 61.00 61.97 3ag4 s PRO 15 Cb -0.44 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 31.99 3ag4 s PRO 15 CO 0.33 -1.60 1.01 0.34 0.04 0.00 0.00 177.00 177.12 3ag4 n PHE 16 N -3.40 0.57 -3.95 0.56 -0.00 -1.26 -4.97 117.46 105.01 3ag4 n PHE 16 Ca 0.07 0.98 -0.29 0.00 -0.00 0.00 0.00 57.45 58.20 3ag4 n PHE 16 Cb 0.57 -2.10 -0.16 0.00 -0.00 0.00 0.00 39.48 37.78 3ag4 n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3ag4 s ASP 17 N -0.13 3.14 0.29 -2.13 -1.08 -1.26 -5.01 116.67 110.49 3ag4 s ASP 17 Ca 0.84 -0.78 0.24 0.00 -0.52 0.00 0.00 52.55 52.33 3ag4 s ASP 17 Cb -1.15 -1.09 1.05 0.00 -1.46 0.00 0.00 42.92 40.27 3ag4 s ASP 17 CO 0.56 -0.16 1.72 -1.54 0.52 0.00 0.00 175.17 176.26 3ag4 n SER 18 N 4.77 0.69 0.08 -0.34 3.41 -1.26 -0.46 113.62 120.51 3ag4 n SER 18 Ca -0.13 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3ag4 n SER 18 Cb 0.47 -0.83 0.45 0.00 -0.26 0.00 0.00 64.21 64.04 3ag4 n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ag4 n ARG 19 N -2.29 0.15 -3.15 4.33 1.74 -1.26 -4.08 116.66 112.10 3ag4 n ARG 19 Ca 0.01 0.26 -0.22 0.00 -0.77 0.00 0.00 57.85 57.14 3ag4 n ARG 19 Cb 0.19 -1.72 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 3ag4 n ARG 19 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3ag4 n PHE 20 N -1.99 -0.60 1.25 -1.55 3.01 0.40 -4.97 117.46 113.00 3ag4 n PHE 20 Ca 0.04 -3.41 0.13 0.00 1.01 0.00 0.00 57.45 55.22 3ag4 n PHE 20 Cb 0.30 -0.16 0.49 0.00 -0.01 0.00 0.00 39.48 40.10 3ag4 n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ag4 n PRO 21 N 1.28 0.52 -1.22 -1.08 -0.04 -1.21 -4.58 135.00 128.67 3ag4 n PRO 21 Ca 0.20 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3ag4 n PRO 21 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3ag4 n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ag4 n ASN 22 N -1.05 0.54 0.05 3.54 3.02 -1.26 -5.01 115.26 115.08 3ag4 n ASN 22 Ca 0.11 -0.97 -0.01 0.00 -0.03 0.00 0.00 54.58 53.69 3ag4 n ASN 22 Cb 0.31 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.76 3ag4 n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3ag4 h GLN 23 N 0.00 0.40 -5.99 3.52 4.20 -2.05 -3.40 115.11 111.79 3ag4 h GLN 23 Ca 0.00 -0.12 -0.60 0.00 0.06 0.00 0.00 58.65 57.99 3ag4 h GLN 23 Cb 0.00 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.64 3ag4 h GLN 23 CO 0.00 0.56 0.51 1.21 -0.67 0.00 0.00 178.83 180.44 3ag4 s ASN 24 N -6.82 6.58 0.00 1.46 2.47 -1.26 -4.87 114.94 112.51 3ag4 s ASN 24 Ca -0.06 0.37 0.20 0.00 0.42 0.00 0.00 52.86 53.78 3ag4 s ASN 24 Cb 0.15 -2.43 0.42 0.00 -1.45 0.00 0.00 41.25 37.93 3ag4 s ASN 24 CO 0.77 -0.86 1.35 0.00 -3.72 0.00 0.00 177.10 174.63 3ag4 n GLN 25 N 6.74 2.43 -0.11 0.43 1.13 -1.26 -4.56 117.38 122.18 3ag4 n GLN 25 Ca 0.05 -2.22 -0.05 0.00 -1.94 0.00 0.00 57.00 52.84 3ag4 n GLN 25 Cb 0.48 -1.46 0.02 0.00 0.11 0.00 0.00 30.24 29.40 3ag4 n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ag4 h THR 26 N 3.81 0.74 0.00 5.09 2.02 -1.97 -1.18 112.91 121.41 3ag4 h THR 26 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3ag4 h THR 26 Cb 0.90 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3ag4 h THR 26 CO 0.00 0.02 -0.20 -0.09 0.37 0.00 0.00 175.52 175.63 3ag4 h ARG 27 N 0.12 0.00 0.29 6.66 9.65 -1.99 -1.96 114.38 127.15 3ag4 h ARG 27 Ca 0.18 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3ag4 h ARG 27 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3ag4 h ARG 27 CO -0.29 0.20 -0.14 -0.97 2.80 0.00 0.00 179.97 181.57 3ag4 h ASN 28 N 0.00 -0.33 -0.09 -3.80 -0.73 -1.55 0.25 115.58 109.34 3ag4 h ASN 28 Ca -0.00 -0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.14 3ag4 h ASN 28 Cb 0.56 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 39.19 3ag4 h ASN 28 CO 0.03 -0.14 -0.18 0.00 -0.37 0.00 0.00 177.43 176.77 3ag4 h TRP 30 N -0.25 1.15 -0.42 0.00 2.91 -1.17 -1.26 115.95 116.90 3ag4 h TRP 30 Ca 0.08 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 59.84 3ag4 h TRP 30 Cb 0.37 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 3ag4 h TRP 30 CO -0.27 1.07 0.17 0.37 -1.03 0.00 0.00 178.44 178.75 3ag4 h GLN 31 N 0.90 0.62 -0.15 2.65 5.75 -0.34 -0.73 115.11 123.81 3ag4 h GLN 31 Ca 0.14 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3ag4 h GLN 31 Cb 0.68 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3ag4 h GLN 31 CO 0.05 0.57 -0.22 -0.91 -2.65 0.00 0.00 178.83 175.68 3ag4 h ASN 32 N 0.53 0.25 -0.03 -0.69 2.35 -1.28 0.11 115.58 116.83 3ag4 h ASN 32 Ca 0.14 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3ag4 h ASN 32 Cb 0.18 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3ag4 h ASN 32 CO -0.01 0.48 -0.05 0.22 -1.65 0.00 0.00 177.43 176.42 3ag4 h TYR 33 N 0.24 0.12 -0.06 1.19 3.20 -0.92 -0.40 116.97 120.33 3ag4 h TYR 33 Ca 0.04 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3ag4 h TYR 33 Cb 0.52 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 3ag4 h TYR 33 CO 0.01 0.61 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.79 3ag4 h LEU 34 N -0.41 -0.83 -0.64 2.82 3.38 -0.85 -1.76 115.31 117.01 3ag4 h LEU 34 Ca 0.00 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.19 3ag4 h LEU 34 Cb 0.60 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 3ag4 h LEU 34 CO 0.01 -0.33 0.26 0.44 0.09 0.00 0.00 178.44 178.91 3ag4 h ASP 35 N -0.38 0.28 -0.50 -0.43 3.45 -0.75 0.45 116.42 118.54 3ag4 h ASP 35 Ca 0.08 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 3ag4 h ASP 35 Cb 0.50 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 3ag4 h ASP 35 CO -0.28 0.16 0.28 0.15 -1.57 0.00 0.00 179.24 177.98 3ag4 h PHE 36 N 0.45 0.68 0.02 4.55 3.57 -0.84 0.24 116.94 125.61 3ag4 h PHE 36 Ca 0.33 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.61 3ag4 h PHE 36 Cb 0.40 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3ag4 h PHE 36 CO -0.15 0.50 -0.94 0.45 -2.23 0.00 0.00 178.31 175.93 3ag4 h HIS 37 N 0.66 0.12 -0.01 0.41 3.86 -0.43 0.20 115.15 119.98 3ag4 h HIS 37 Ca 0.18 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3ag4 h HIS 37 Cb 0.04 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3ag4 h HIS 37 CO -0.02 0.97 0.00 0.00 0.86 0.00 0.00 177.93 179.74 3ag4 h ARG 38 N 0.03 0.01 -0.06 2.45 3.08 0.07 -1.75 114.38 118.21 3ag4 h ARG 38 Ca -0.03 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3ag4 h ARG 38 Cb 1.63 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 3ag4 h ARG 38 CO 0.13 0.05 -0.02 0.00 -1.07 0.00 0.00 179.97 179.06 3ag4 h GLU 40 N -0.01 0.00 0.01 0.00 4.81 -0.88 0.80 114.58 119.30 3ag4 h GLU 40 Ca 0.03 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 3ag4 h GLU 40 Cb 0.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3ag4 h GLU 40 CO -0.07 0.05 -0.69 -0.22 -0.73 0.00 0.00 179.01 177.36 3ag4 h LYS 41 N 0.00 0.46 -0.76 1.92 3.64 -0.41 -0.54 116.57 120.88 3ag4 h LYS 41 Ca -0.00 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3ag4 h LYS 41 Cb 0.10 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3ag4 h LYS 41 CO 0.01 1.15 0.42 0.00 -2.27 0.00 0.00 179.45 178.76 3ag4 h ALA 42 N 0.32 1.32 -0.40 5.00 0.00 0.12 -1.23 119.26 124.39 3ag4 h ALA 42 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ag4 h ALA 42 Cb 1.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ag4 h ALA 42 CO 0.13 0.56 0.00 -1.33 0.00 0.00 0.00 179.25 178.61 3ag4 n MET 43 N -4.36 0.00 0.17 0.00 2.81 0.17 -2.65 117.12 113.25 3ag4 n MET 43 Ca 0.08 0.43 0.18 0.00 -1.81 0.00 0.00 57.70 56.58 3ag4 n MET 43 Cb 0.09 -1.09 0.69 0.00 -0.71 0.00 0.00 33.22 32.20 3ag4 n MET 43 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3ag4 h THR 44 N 0.00 0.17 0.00 2.03 2.02 -1.17 -2.86 112.91 113.10 3ag4 h THR 44 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ag4 h THR 44 Cb 0.00 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3ag4 h THR 44 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3ag4 n ALA 45 N -2.10 0.00 0.00 6.16 0.00 -0.46 -4.42 120.51 119.68 3ag4 n ALA 45 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ag4 n ALA 45 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3ag4 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag4 n LYS 46 N 0.00 0.00 -2.40 0.00 4.76 -1.09 -4.57 118.16 114.87 3ag4 n LYS 46 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3ag4 n LYS 46 Cb 0.00 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3ag4 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ag4 n GLY 47 N -0.00 -2.27 0.00 0.72 0.00 -1.09 -5.05 105.19 97.49 3ag4 n GLY 47 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3ag4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 48 N -0.01 1.87 3.36 -0.02 0.00 -1.21 -5.06 105.19 104.12 3ag4 n GLY 48 Ca 0.05 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3ag4 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag4 s ASP 49 N 0.14 4.27 0.61 1.61 3.68 -1.26 -4.55 116.67 121.16 3ag4 s ASP 49 Ca 0.00 -0.33 0.37 0.00 2.13 0.00 0.00 52.55 54.71 3ag4 s ASP 49 Cb 0.00 -1.70 1.96 0.00 -1.45 0.00 0.00 42.92 41.73 3ag4 s ASP 49 CO 0.00 0.07 2.23 0.58 0.13 0.00 0.00 175.17 178.19 3ag4 h VAL 50 N 5.52 0.22 0.00 1.11 2.07 -1.92 -2.49 116.25 120.76 3ag4 h VAL 50 Ca -0.35 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3ag4 h VAL 50 Cb 1.18 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3ag4 h VAL 50 CO 0.59 0.03 0.00 0.77 0.02 0.00 0.00 177.57 178.98 3ag4 h SER 51 N 0.00 0.00 0.97 0.57 4.64 -2.00 0.31 113.55 118.04 3ag4 h SER 51 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ag4 h SER 51 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ag4 h SER 51 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3ag4 n VAL 52 N -2.42 0.73 1.47 0.95 0.24 -0.94 -2.96 118.33 115.41 3ag4 n VAL 52 Ca -0.01 0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 3ag4 n VAL 52 Cb 0.10 -0.94 0.62 0.00 -1.47 0.00 0.00 33.84 32.15 3ag4 n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ag4 h GLU 54 N 0.79 0.87 -0.64 0.00 4.57 -1.63 -2.61 114.58 115.93 3ag4 h GLU 54 Ca 0.00 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3ag4 h GLU 54 Cb 0.35 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 3ag4 h GLU 54 CO 0.00 0.58 0.41 2.35 -1.18 0.00 0.00 179.01 181.17 3ag4 h TRP 55 N 0.90 0.77 -0.25 0.92 2.91 -1.86 -1.00 115.95 118.34 3ag4 h TRP 55 Ca 0.28 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.19 3ag4 h TRP 55 Cb 0.01 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.39 3ag4 h TRP 55 CO -0.00 0.45 -0.39 1.88 -1.03 0.00 0.00 178.44 179.35 3ag4 h TYR 56 N 0.81 0.68 -1.00 2.65 0.99 -1.80 -1.99 116.97 117.31 3ag4 h TYR 56 Ca 0.25 -0.19 0.01 0.00 2.00 0.00 0.00 58.73 60.79 3ag4 h TYR 56 Cb -0.02 -0.15 -0.05 0.00 1.00 0.00 0.00 36.73 37.51 3ag4 h TYR 56 CO -0.04 0.88 0.65 -0.09 -0.00 0.00 0.00 178.16 179.55 3ag4 h ARG 57 N 0.47 1.32 -0.26 4.88 2.43 -1.24 -1.57 114.38 120.41 3ag4 h ARG 57 Ca 0.04 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3ag4 h ARG 57 Cb 0.89 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3ag4 h ARG 57 CO 0.08 0.89 -0.23 0.00 -1.51 0.00 0.00 179.97 179.19 3ag4 h ARG 58 N 1.36 0.62 0.23 0.20 2.47 -0.53 -1.67 114.38 117.05 3ag4 h ARG 58 Ca 0.36 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3ag4 h ARG 58 Cb -0.13 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 3ag4 h ARG 58 CO -0.08 0.91 -0.11 0.28 0.56 0.00 0.00 179.97 181.54 3ag4 h VAL 59 N 0.34 0.84 -0.34 2.04 2.07 -1.33 -0.99 116.25 118.88 3ag4 h VAL 59 Ca 0.05 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3ag4 h VAL 59 Cb 0.78 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3ag4 h VAL 59 CO 0.06 0.15 0.07 0.10 0.02 0.00 0.00 177.57 177.97 3ag4 h TYR 60 N -0.68 0.49 -0.60 1.57 -0.00 -1.34 -0.66 116.97 115.75 3ag4 h TYR 60 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 58.73 58.60 3ag4 h TYR 60 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.03 3ag4 h TYR 60 CO 0.04 0.44 0.10 0.87 -0.00 0.00 0.00 178.16 179.61 3ag4 h LYS 61 N 0.48 0.99 -0.26 0.10 1.79 -1.18 0.13 116.57 118.62 3ag4 h LYS 61 Ca 0.11 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 3ag4 h LYS 61 Cb 0.21 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3ag4 h LYS 61 CO -0.00 0.93 0.07 0.77 -1.08 0.00 0.00 179.45 180.14 3ag4 h SER 62 N 0.89 0.39 0.12 0.86 0.02 -0.46 -3.37 113.55 112.02 3ag4 h SER 62 Ca 0.18 -0.22 -0.21 0.00 -0.84 0.00 0.00 61.79 60.71 3ag4 h SER 62 Cb 0.42 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.86 3ag4 h SER 62 CO 0.01 0.51 -0.98 -0.07 -1.14 0.00 0.00 176.83 175.17 3ag4 h LEU 63 N 0.26 0.41 -9.51 5.07 3.38 -1.08 -3.48 115.31 110.35 3ag4 h LEU 63 Ca 0.08 -0.91 -0.53 0.00 0.09 0.00 0.00 57.88 56.61 3ag4 h LEU 63 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3ag4 h LEU 63 CO -0.00 1.45 0.40 0.00 0.09 0.00 0.00 178.44 180.38 3ag4 n PRO 65 N 3.25 1.43 -0.32 0.00 -0.02 -1.26 -4.86 135.00 133.21 3ag4 n PRO 65 Ca 0.04 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 3ag4 n PRO 65 Cb 0.49 -1.92 0.28 0.00 -0.02 0.00 0.00 33.50 32.33 3ag4 n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ag4 h ILE 66 N 1.96 0.92 -0.06 4.25 2.04 -1.95 -1.94 117.51 122.74 3ag4 h ILE 66 Ca -0.41 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 3ag4 h ILE 66 Cb 1.33 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3ag4 h ILE 66 CO 0.60 0.17 -0.49 0.77 0.00 0.00 0.00 178.15 179.20 3ag4 h SER 67 N 0.91 0.15 0.00 1.72 4.64 -1.99 -0.13 113.55 118.85 3ag4 h SER 67 Ca 0.46 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3ag4 h SER 67 Cb 0.51 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3ag4 h SER 67 CO -0.23 0.62 -0.00 -0.50 -0.87 0.00 0.00 176.83 175.85 3ag4 h TRP 68 N 0.12 -0.00 -0.75 4.77 4.06 -1.73 -0.77 115.95 121.64 3ag4 h TRP 68 Ca 0.00 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 3ag4 h TRP 68 Cb 0.90 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.00 3ag4 h TRP 68 CO 0.01 0.31 0.43 0.28 -3.56 0.00 0.00 178.44 175.91 3ag4 h VAL 69 N -0.31 0.96 -0.30 1.49 2.07 -1.28 0.58 116.25 119.45 3ag4 h VAL 69 Ca -0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3ag4 h VAL 69 Cb 0.31 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3ag4 h VAL 69 CO 0.00 0.14 0.01 -1.28 0.02 0.00 0.00 177.57 176.46 3ag4 h SER 70 N 0.77 0.52 -0.45 0.57 0.87 -0.97 0.13 113.55 114.99 3ag4 h SER 70 Ca 0.34 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3ag4 h SER 70 Cb 0.23 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3ag4 h SER 70 CO -0.20 0.69 0.10 0.74 -0.53 0.00 0.00 176.83 177.63 3ag4 h THR 71 N 0.33 1.24 -0.11 2.23 2.02 -0.65 -0.89 112.91 117.08 3ag4 h THR 71 Ca 0.09 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 3ag4 h THR 71 Cb 0.42 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3ag4 h THR 71 CO 0.01 0.30 -0.27 -0.50 0.37 0.00 0.00 175.52 175.43 3ag4 h TRP 72 N 0.59 0.21 -0.28 3.16 6.55 0.56 -2.03 115.95 124.72 3ag4 h TRP 72 Ca 0.14 -0.04 -0.08 0.00 0.95 0.00 0.00 58.89 59.86 3ag4 h TRP 72 Cb 0.34 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 3ag4 h TRP 72 CO 0.02 0.46 -0.12 -0.44 -1.05 0.00 0.00 178.44 177.31 3ag4 h ASP 73 N 0.18 0.60 -0.98 -3.49 3.45 -0.51 -0.65 116.42 115.01 3ag4 h ASP 73 Ca 0.03 -0.40 0.02 0.00 0.43 0.00 0.00 57.03 57.11 3ag4 h ASP 73 Cb 0.58 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.14 3ag4 h ASP 73 CO 0.04 0.86 0.65 0.44 -1.57 0.00 0.00 179.24 179.66 3ag4 h ASP 74 N 0.33 1.11 -0.23 6.45 3.32 -0.95 -1.82 116.42 124.63 3ag4 h ASP 74 Ca 0.06 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 3ag4 h ASP 74 Cb 0.63 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ag4 h ASP 74 CO 0.04 0.78 -0.45 0.03 -1.72 0.00 0.00 179.24 177.93 3ag4 h ARG 75 N 1.30 0.79 -0.89 3.56 3.08 -1.26 0.84 114.38 121.80 3ag4 h ARG 75 Ca 0.37 -0.44 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3ag4 h ARG 75 Cb -0.10 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3ag4 h ARG 75 CO -0.10 1.07 0.58 0.00 -1.07 0.00 0.00 179.97 180.46 3ag4 h ARG 76 N 0.64 1.07 -0.29 0.04 3.08 -0.80 0.13 114.38 118.25 3ag4 h ARG 76 Ca 0.04 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3ag4 h ARG 76 Cb 1.02 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3ag4 h ARG 76 CO 0.10 0.71 -0.34 0.00 -1.07 0.00 0.00 179.97 179.36 3ag4 h ALA 77 N 1.48 0.86 0.00 0.04 0.00 -0.81 -2.75 119.26 118.08 3ag4 h ALA 77 Ca 0.36 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ag4 h ALA 77 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ag4 h ALA 77 CO -0.11 0.63 -0.03 1.49 0.00 0.00 0.00 179.25 181.23 3ag4 h GLU 78 N 0.53 0.00 0.00 0.00 4.81 -0.47 -3.47 114.58 115.98 3ag4 h GLU 78 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ag4 h GLU 78 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3ag4 h GLU 78 CO 0.07 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.76 3ag4 n GLY 79 N 1.19 0.72 0.31 1.92 0.00 -0.50 -4.96 105.19 103.89 3ag4 n GLY 79 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3ag4 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag4 n THR 80 N -2.54 1.29 -2.29 2.61 -2.24 0.35 -4.99 114.28 106.47 3ag4 n THR 80 Ca 0.00 -1.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.06 3ag4 n THR 80 Cb 0.00 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 3ag4 n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ag4 s PHE 81 N -1.50 2.71 -0.98 4.78 5.36 -1.00 -4.89 117.98 122.46 3ag4 s PHE 81 Ca 0.17 0.81 0.27 0.00 -0.96 0.00 0.00 56.93 57.22 3ag4 s PHE 81 Cb 0.12 -3.62 0.79 0.00 -0.34 0.00 0.00 43.02 39.96 3ag4 s PHE 81 CO 0.06 -2.30 1.62 -0.35 -1.46 0.00 0.00 175.22 172.79 3ag4 n PRO 82 N 6.20 0.02 -2.31 10.12 -0.04 -1.26 -4.86 135.00 142.87 3ag4 n PRO 82 Ca 0.14 0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 3ag4 n PRO 82 Cb 0.44 -1.52 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 3ag4 n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ag4 s GLY 83 N -3.04 1.67 -0.30 0.55 0.00 -1.26 -5.04 107.32 99.89 3ag4 s GLY 83 Ca 0.12 -0.87 -0.12 0.00 0.00 0.00 0.00 44.72 43.85 3ag4 s GLY 83 CO 0.63 -0.52 0.21 1.25 0.00 0.00 0.00 173.10 174.67 3ag4 s LYS 84 N -5.12 3.76 0.00 2.90 2.20 -1.26 -5.17 119.74 117.05 3ag4 s LYS 84 Ca 0.58 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3ag4 s LYS 84 Cb -0.11 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3ag4 s LYS 84 CO 0.44 -0.28 0.46 -0.89 -0.36 0.00 0.00 175.35 174.72