#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n ILE 8 N 0.00 0.00 -1.00 -0.18 0.13 -1.26 -4.91 119.36 112.14 3ag3 n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3ag3 n ILE 8 Cb 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 39.64 38.50 3ag3 n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3ag3 n LYS 9 N -1.31 2.90 -0.33 9.51 3.00 -1.26 -4.95 118.16 125.72 3ag3 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ag3 n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3ag3 n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ag3 n ASN 10 N 0.00 -0.23 -4.53 3.14 5.15 -1.26 -5.08 115.26 112.44 3ag3 n ASN 10 Ca 0.00 0.00 -0.59 0.00 -0.60 0.00 0.00 54.58 53.39 3ag3 n ASN 10 Cb 0.00 -0.09 -0.08 0.00 -0.53 0.00 0.00 39.78 39.08 3ag3 n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ag3 n TYR 11 N -1.64 0.85 -0.03 1.20 4.19 -1.26 -4.96 117.16 115.50 3ag3 n TYR 11 Ca 0.00 1.01 -0.03 0.00 3.31 0.00 0.00 57.90 62.18 3ag3 n TYR 11 Cb 0.07 -2.13 -0.01 0.00 0.49 0.00 0.00 39.34 37.76 3ag3 n TYR 11 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3ag3 n GLN 12 N 1.85 0.20 -3.25 2.98 6.02 -1.26 -5.11 117.38 118.81 3ag3 n GLN 12 Ca 0.21 0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 57.17 3ag3 n GLN 12 Cb 0.08 -0.84 -0.04 0.00 1.02 0.00 0.00 30.24 30.46 3ag3 n GLN 12 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3ag3 n THR 13 N -3.25 0.00 -2.15 5.09 5.66 -1.26 -5.12 114.28 113.25 3ag3 n THR 13 Ca -0.05 -1.35 -0.42 0.00 -3.05 0.00 0.00 64.05 59.17 3ag3 n THR 13 Cb 0.20 0.71 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 3ag3 n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ag3 s ALA 14 N -2.67 3.61 0.95 1.79 0.00 -1.26 -5.00 121.76 119.18 3ag3 s ALA 14 Ca 0.22 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 3ag3 s ALA 14 Cb 0.01 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 19.74 3ag3 s ALA 14 CO 0.16 -0.67 1.12 -1.25 0.00 0.00 0.00 175.76 175.12 3ag3 s PRO 15 N 1.27 0.81 0.35 0.00 0.04 -1.26 -4.98 135.00 131.23 3ag3 s PRO 15 Ca 0.65 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 3ag3 s PRO 15 Cb -0.37 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 3ag3 s PRO 15 CO 0.30 -2.44 1.07 0.34 0.04 0.00 0.00 177.00 176.31 3ag3 n PHE 16 N -3.95 1.46 -3.87 0.56 -0.00 -1.26 -5.01 117.46 105.39 3ag3 n PHE 16 Ca 0.06 0.62 -0.29 0.00 -0.00 0.00 0.00 57.45 57.84 3ag3 n PHE 16 Cb 0.59 -2.28 -0.16 0.00 -0.00 0.00 0.00 39.48 37.62 3ag3 n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3ag3 s ASP 17 N -0.57 3.10 0.65 -2.13 -1.08 -1.26 -5.02 116.67 110.36 3ag3 s ASP 17 Ca 0.59 -0.82 0.41 0.00 -0.52 0.00 0.00 52.55 52.21 3ag3 s ASP 17 Cb -0.62 -0.92 2.28 0.00 -1.46 0.00 0.00 42.92 42.21 3ag3 s ASP 17 CO 0.59 -0.22 2.34 0.77 0.52 0.00 0.00 175.17 179.18 3ag3 h SER 18 N 8.10 0.00 0.22 -0.34 4.64 -2.00 0.34 113.55 124.51 3ag3 h SER 18 Ca -0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3ag3 h SER 18 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ag3 h SER 18 CO 0.39 0.00 -0.09 0.03 -0.87 0.00 0.00 176.83 176.29 3ag3 h ARG 19 N 0.00 0.00 -2.18 4.77 3.08 -2.03 -3.34 114.38 114.68 3ag3 h ARG 19 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3ag3 h ARG 19 Cb 0.01 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.67 3ag3 h ARG 19 CO 0.00 0.09 -1.02 1.19 -1.07 0.00 0.00 179.97 179.16 3ag3 n PHE 20 N -3.84 -0.28 0.99 3.04 3.01 0.11 -4.96 117.46 115.53 3ag3 n PHE 20 Ca -0.02 -3.52 0.12 0.00 1.01 0.00 0.00 57.45 55.04 3ag3 n PHE 20 Cb 0.19 -0.14 0.31 0.00 -0.01 0.00 0.00 39.48 39.83 3ag3 n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ag3 n PRO 21 N 1.94 2.03 -0.82 -1.08 -0.04 -1.24 -4.62 135.00 131.17 3ag3 n PRO 21 Ca 0.25 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 3ag3 n PRO 21 Cb 0.50 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3ag3 n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ag3 n ASN 22 N 0.79 0.71 0.07 3.54 3.02 -1.26 -5.01 115.26 117.10 3ag3 n ASN 22 Ca 0.17 -0.61 -0.08 0.00 -0.03 0.00 0.00 54.58 54.04 3ag3 n ASN 22 Cb 0.45 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.68 3ag3 n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3ag3 h GLN 23 N 0.00 0.32 -6.00 3.52 4.20 -2.06 -3.40 115.11 111.70 3ag3 h GLN 23 Ca 0.00 -0.25 -0.60 0.00 0.06 0.00 0.00 58.65 57.86 3ag3 h GLN 23 Cb 0.00 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.73 3ag3 h GLN 23 CO 0.00 0.89 0.53 1.21 -0.67 0.00 0.00 178.83 180.79 3ag3 s ASN 24 N -6.93 6.63 -0.03 1.46 3.84 -1.26 -4.86 114.94 113.79 3ag3 s ASN 24 Ca -0.05 0.49 0.17 0.00 0.21 0.00 0.00 52.86 53.69 3ag3 s ASN 24 Cb 0.11 -2.44 0.53 0.00 -0.55 0.00 0.00 41.25 38.90 3ag3 s ASN 24 CO 0.82 -0.83 1.45 0.00 -2.79 0.00 0.00 177.10 175.75 3ag3 n GLN 25 N 6.68 2.96 -0.22 0.43 1.13 -1.26 -4.59 117.38 122.52 3ag3 n GLN 25 Ca 0.06 -2.50 -0.03 0.00 -1.94 0.00 0.00 57.00 52.59 3ag3 n GLN 25 Cb 0.48 -1.53 0.08 0.00 0.11 0.00 0.00 30.24 29.38 3ag3 n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ag3 h THR 26 N 3.33 1.00 0.00 5.09 2.02 -1.97 -1.92 112.91 120.45 3ag3 h THR 26 Ca 0.00 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3ag3 h THR 26 Cb 1.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3ag3 h THR 26 CO 0.05 0.12 -0.40 -0.09 0.37 0.00 0.00 175.52 175.57 3ag3 h ARG 27 N 0.68 0.00 -0.09 6.66 9.65 -1.99 -1.79 114.38 127.49 3ag3 h ARG 27 Ca 0.27 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 3ag3 h ARG 27 Cb 0.13 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3ag3 h ARG 27 CO -0.16 0.40 -0.00 -0.97 2.80 0.00 0.00 179.97 182.05 3ag3 h ASN 28 N 0.00 0.16 0.07 -3.80 -0.73 -1.69 0.18 115.58 109.77 3ag3 h ASN 28 Ca -0.00 -0.31 0.02 0.00 1.87 0.00 0.00 56.30 57.88 3ag3 h ASN 28 Cb 0.93 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 39.44 3ag3 h ASN 28 CO 0.05 0.43 -0.28 0.00 -0.37 0.00 0.00 177.43 177.26 3ag3 h TRP 30 N -0.47 0.36 -0.55 0.00 2.91 -1.27 -1.19 115.95 115.74 3ag3 h TRP 30 Ca 0.04 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 3ag3 h TRP 30 Cb 0.52 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 3ag3 h TRP 30 CO -0.28 0.23 0.28 0.37 -1.03 0.00 0.00 178.44 178.00 3ag3 h GLN 31 N 0.39 0.79 -0.12 2.65 5.75 -0.52 -1.27 115.11 122.77 3ag3 h GLN 31 Ca 0.11 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 3ag3 h GLN 31 Cb -0.05 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 3ag3 h GLN 31 CO -0.02 0.64 -0.37 -0.91 -2.65 0.00 0.00 178.83 175.52 3ag3 h ASN 32 N 0.75 0.26 -0.39 -0.69 2.35 -1.12 -0.05 115.58 116.69 3ag3 h ASN 32 Ca 0.19 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3ag3 h ASN 32 Cb 0.10 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3ag3 h ASN 32 CO -0.03 0.62 -0.00 0.22 -1.65 0.00 0.00 177.43 176.59 3ag3 h TYR 33 N 0.22 0.76 -0.09 1.19 3.20 -0.90 -0.86 116.97 120.49 3ag3 h TYR 33 Ca 0.02 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 3ag3 h TYR 33 Cb 0.76 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 3ag3 h TYR 33 CO 0.01 0.78 0.01 -0.07 -1.64 0.00 0.00 178.16 177.25 3ag3 h LEU 34 N 0.52 0.15 -0.45 2.82 3.38 -1.00 -1.30 115.31 119.42 3ag3 h LEU 34 Ca 0.11 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3ag3 h LEU 34 Cb 0.48 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3ag3 h LEU 34 CO 0.02 0.38 0.09 0.44 0.09 0.00 0.00 178.44 179.46 3ag3 h ASP 35 N -0.09 -0.00 0.02 -0.43 3.45 -0.95 0.69 116.42 119.10 3ag3 h ASP 35 Ca 0.03 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 3ag3 h ASP 35 Cb 0.29 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3ag3 h ASP 35 CO 0.00 0.03 -0.01 0.15 -1.57 0.00 0.00 179.24 177.85 3ag3 h PHE 36 N 0.22 -0.02 -0.10 4.55 3.57 -1.08 0.44 116.94 124.52 3ag3 h PHE 36 Ca 0.22 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 3ag3 h PHE 36 Cb 0.29 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3ag3 h PHE 36 CO -0.22 0.04 -0.49 0.45 -2.23 0.00 0.00 178.31 175.86 3ag3 h HIS 37 N -0.08 0.31 0.17 0.41 3.86 -0.77 0.79 115.15 119.85 3ag3 h HIS 37 Ca -0.00 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3ag3 h HIS 37 Cb 0.07 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3ag3 h HIS 37 CO -0.06 0.70 -0.08 0.00 0.86 0.00 0.00 177.93 179.35 3ag3 h ARG 38 N 0.20 -0.22 -0.99 2.45 3.08 0.44 -2.69 114.38 116.66 3ag3 h ARG 38 Ca 0.01 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.19 3ag3 h ARG 38 Cb 0.95 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.96 3ag3 h ARG 38 CO 0.08 0.04 0.63 0.00 -1.07 0.00 0.00 179.97 179.65 3ag3 h GLU 40 N 0.99 0.58 0.17 0.00 4.81 -0.73 -1.87 114.58 118.53 3ag3 h GLU 40 Ca 0.49 -0.17 -0.27 0.00 -0.13 0.00 0.00 59.36 59.28 3ag3 h GLU 40 Cb 0.48 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 29.83 3ag3 h GLU 40 CO -0.25 0.68 -1.14 -0.22 -0.73 0.00 0.00 179.01 177.34 3ag3 h LYS 41 N 0.53 0.47 -0.47 1.92 3.64 -1.09 -1.11 116.57 120.47 3ag3 h LYS 41 Ca 0.10 -0.74 0.09 0.00 -1.27 0.00 0.00 60.65 58.83 3ag3 h LYS 41 Cb 0.51 0.26 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 3ag3 h LYS 41 CO 0.03 1.34 -0.12 0.00 -2.27 0.00 0.00 179.45 178.43 3ag3 h ALA 42 N 0.17 0.31 -0.09 5.00 0.00 -1.32 0.12 119.26 123.44 3ag3 h ALA 42 Ca -0.19 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ag3 h ALA 42 Cb 1.88 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.02 3ag3 h ALA 42 CO 0.22 -0.44 -0.19 0.52 0.00 0.00 0.00 179.25 179.36 3ag3 h MET 43 N 0.00 0.14 0.09 0.00 2.86 -1.40 -2.23 114.93 114.39 3ag3 h MET 43 Ca 0.23 -0.04 -0.29 0.00 -2.06 0.00 0.00 59.70 57.54 3ag3 h MET 43 Cb 0.35 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3ag3 h MET 43 CO -0.49 0.34 -1.44 1.15 1.06 0.00 0.00 176.91 177.53 3ag3 h THR 44 N 0.14 1.24 0.00 2.22 2.02 -0.99 -2.61 112.91 114.92 3ag3 h THR 44 Ca 0.03 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.30 3ag3 h THR 44 Cb 0.42 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 3ag3 h THR 44 CO 0.03 0.82 0.00 0.00 0.37 0.00 0.00 175.52 176.73 3ag3 n ALA 45 N -2.60 0.00 0.00 6.16 0.00 0.39 -4.32 120.51 120.15 3ag3 n ALA 45 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ag3 n ALA 45 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3ag3 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag3 n LYS 46 N 0.00 0.00 -3.09 0.00 4.76 -0.84 -4.53 118.16 114.46 3ag3 n LYS 46 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 3ag3 n LYS 46 Cb 0.00 -1.39 0.03 0.00 -1.84 0.00 0.00 35.03 31.84 3ag3 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ag3 n GLY 47 N -0.43 -1.14 0.00 0.72 0.00 -1.25 -5.07 105.19 98.02 3ag3 n GLY 47 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3ag3 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 48 N -1.49 6.16 3.31 -0.02 0.00 -0.98 -5.09 105.19 107.08 3ag3 n GLY 48 Ca -0.03 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 3ag3 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag3 s ASP 49 N 0.24 3.09 0.38 1.61 3.68 -1.26 -4.69 116.67 119.72 3ag3 s ASP 49 Ca 0.00 -0.46 0.16 0.00 2.13 0.00 0.00 52.55 54.38 3ag3 s ASP 49 Cb 0.00 -0.40 0.76 0.00 -1.45 0.00 0.00 42.92 41.83 3ag3 s ASP 49 CO 0.00 0.32 1.81 0.58 0.13 0.00 0.00 175.17 178.00 3ag3 h VAL 50 N 4.53 1.08 -0.65 1.11 2.07 -1.93 -2.49 116.25 119.96 3ag3 h VAL 50 Ca -0.42 -1.35 0.19 0.00 0.82 0.00 0.00 66.70 65.93 3ag3 h VAL 50 Cb 1.13 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3ag3 h VAL 50 CO 0.47 0.36 0.90 0.77 0.02 0.00 0.00 177.57 180.09 3ag3 h SER 51 N 0.00 0.00 1.16 0.57 4.64 -2.00 0.50 113.55 118.41 3ag3 h SER 51 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3ag3 h SER 51 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3ag3 h SER 51 CO 0.05 0.00 -0.27 -0.37 -0.87 0.00 0.00 176.83 175.37 3ag3 h VAL 52 N 0.00 0.57 -0.04 0.95 -1.51 -1.88 -3.08 116.25 111.26 3ag3 h VAL 52 Ca 0.31 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 3ag3 h VAL 52 Cb 2.10 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 33.20 3ag3 h VAL 52 CO -0.00 0.26 0.00 0.00 -1.23 0.00 0.00 177.57 176.60 3ag3 h GLU 54 N 0.76 1.10 -0.40 0.00 4.57 -1.63 -2.65 114.58 116.33 3ag3 h GLU 54 Ca 0.00 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 3ag3 h GLU 54 Cb 0.16 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 3ag3 h GLU 54 CO 0.00 0.73 0.14 2.35 -1.18 0.00 0.00 179.01 181.05 3ag3 h TRP 55 N 1.14 0.26 -0.10 0.92 2.91 -1.87 -1.06 115.95 118.15 3ag3 h TRP 55 Ca 0.38 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.36 3ag3 h TRP 55 Cb 0.05 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3ag3 h TRP 55 CO -0.01 0.10 -0.23 1.88 -1.03 0.00 0.00 178.44 179.15 3ag3 h TYR 56 N 0.31 0.18 -0.60 2.65 0.99 -1.81 -0.53 116.97 118.16 3ag3 h TYR 56 Ca 0.18 -0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 3ag3 h TYR 56 Cb 0.16 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 37.82 3ag3 h TYR 56 CO -0.15 0.39 0.07 -0.09 -0.00 0.00 0.00 178.16 178.39 3ag3 h ARG 57 N 0.15 1.00 -0.07 4.88 2.43 -1.11 -2.06 114.38 119.60 3ag3 h ARG 57 Ca 0.03 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 58.78 3ag3 h ARG 57 Cb 0.49 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3ag3 h ARG 57 CO 0.03 0.95 -0.50 0.00 -1.51 0.00 0.00 179.97 178.95 3ag3 h ARG 58 N 0.90 0.46 -0.23 0.20 2.47 -0.63 -0.80 114.38 116.75 3ag3 h ARG 58 Ca 0.18 -0.40 -0.00 0.00 -1.26 0.00 0.00 59.98 58.49 3ag3 h ARG 58 Cb 0.45 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3ag3 h ARG 58 CO 0.02 1.04 0.13 0.28 0.56 0.00 0.00 179.97 182.00 3ag3 h VAL 59 N 0.01 1.10 -0.21 2.04 2.07 -1.14 -0.01 116.25 120.12 3ag3 h VAL 59 Ca -0.04 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 3ag3 h VAL 59 Cb 1.16 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3ag3 h VAL 59 CO 0.10 0.10 -0.49 0.10 0.02 0.00 0.00 177.57 177.40 3ag3 h TYR 60 N 0.27 0.69 -0.39 1.57 -0.00 -1.36 -1.14 116.97 116.61 3ag3 h TYR 60 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 58.73 58.53 3ag3 h TYR 60 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 36.62 3ag3 h TYR 60 CO -0.04 0.94 0.00 0.87 -0.00 0.00 0.00 178.16 179.94 3ag3 h LYS 61 N 0.44 0.61 -0.40 0.10 1.57 -0.96 0.71 116.57 118.64 3ag3 h LYS 61 Ca 0.02 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3ag3 h LYS 61 Cb 1.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3ag3 h LYS 61 CO 0.09 0.63 -0.13 0.77 -0.57 0.00 0.00 179.45 180.25 3ag3 h SER 62 N 0.58 0.81 0.18 0.86 0.02 -0.57 -3.37 113.55 112.07 3ag3 h SER 62 Ca 0.12 -0.38 -0.35 0.00 -0.84 0.00 0.00 61.79 60.34 3ag3 h SER 62 Cb 0.36 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3ag3 h SER 62 CO 0.01 1.00 -2.06 0.18 -1.14 0.00 0.00 176.83 174.83 3ag3 n LEU 63 N -4.30 1.98 -4.73 5.07 4.77 -0.47 -4.96 117.00 114.36 3ag3 n LEU 63 Ca -0.01 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 3ag3 n LEU 63 Cb 0.38 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3ag3 n LEU 63 CO 0.43 0.72 0.71 0.00 -1.33 0.00 0.00 177.39 177.92 3ag3 n PRO 65 N 2.50 1.83 -0.34 0.00 -0.02 -1.26 -4.81 135.00 132.90 3ag3 n PRO 65 Ca 0.02 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 3ag3 n PRO 65 Cb 0.48 -2.21 0.37 0.00 -0.02 0.00 0.00 33.50 32.12 3ag3 n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ag3 h ILE 66 N 2.65 0.64 0.00 4.25 2.04 -1.95 -1.46 117.51 123.67 3ag3 h ILE 66 Ca -0.44 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 3ag3 h ILE 66 Cb 1.30 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ag3 h ILE 66 CO 0.68 0.12 -0.52 0.77 0.00 0.00 0.00 178.15 179.21 3ag3 h SER 67 N 0.66 0.00 -0.05 1.72 4.64 -1.99 0.80 113.55 119.33 3ag3 h SER 67 Ca 0.60 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.90 3ag3 h SER 67 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ag3 h SER 67 CO -0.39 0.52 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.55 3ag3 h TRP 68 N 0.00 0.14 -0.32 4.77 4.06 -1.64 -1.62 115.95 121.34 3ag3 h TRP 68 Ca -0.01 -0.04 0.01 0.00 2.06 0.00 0.00 58.89 60.92 3ag3 h TRP 68 Cb 0.98 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 3ag3 h TRP 68 CO 0.00 0.52 0.18 0.28 -3.56 0.00 0.00 178.44 175.87 3ag3 h VAL 69 N -0.29 1.03 -0.47 1.49 2.07 -1.10 -0.36 116.25 118.62 3ag3 h VAL 69 Ca 0.01 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3ag3 h VAL 69 Cb 0.49 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3ag3 h VAL 69 CO 0.01 0.07 0.21 -1.28 0.02 0.00 0.00 177.57 176.60 3ag3 h SER 70 N 0.38 0.28 -0.31 0.57 0.87 -0.85 0.17 113.55 114.66 3ag3 h SER 70 Ca 0.12 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3ag3 h SER 70 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3ag3 h SER 70 CO -0.06 0.20 -0.08 0.74 -0.53 0.00 0.00 176.83 177.10 3ag3 h THR 71 N 0.43 1.28 -0.65 2.23 2.02 -0.94 0.98 112.91 118.26 3ag3 h THR 71 Ca 0.21 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 3ag3 h THR 71 Cb 0.16 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3ag3 h THR 71 CO -0.17 0.36 0.23 -0.50 0.37 0.00 0.00 175.52 175.80 3ag3 h TRP 72 N 0.38 1.03 -0.23 3.16 6.55 -0.80 -0.54 115.95 125.51 3ag3 h TRP 72 Ca 0.08 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.83 3ag3 h TRP 72 Cb 0.57 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 3ag3 h TRP 72 CO 0.05 0.83 0.14 -0.44 -1.05 0.00 0.00 178.44 177.97 3ag3 h ASP 73 N 0.94 0.24 -0.91 -3.49 3.45 -0.37 -0.24 116.42 116.04 3ag3 h ASP 73 Ca 0.21 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.67 3ag3 h ASP 73 Cb 0.26 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 3ag3 h ASP 73 CO -0.01 0.18 0.56 0.44 -1.57 0.00 0.00 179.24 178.84 3ag3 h ASP 74 N 0.29 1.08 -0.35 6.45 3.32 -0.50 -2.33 116.42 124.38 3ag3 h ASP 74 Ca 0.08 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3ag3 h ASP 74 Cb -0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3ag3 h ASP 74 CO -0.03 0.82 -0.33 0.03 -1.72 0.00 0.00 179.24 178.01 3ag3 h ARG 75 N 1.24 0.89 -0.70 3.56 3.08 -0.63 -0.41 114.38 121.41 3ag3 h ARG 75 Ca 0.33 -0.43 0.09 0.00 0.07 0.00 0.00 59.98 60.04 3ag3 h ARG 75 Cb -0.07 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.90 3ag3 h ARG 75 CO -0.06 1.08 0.35 0.00 -1.07 0.00 0.00 179.97 180.27 3ag3 h ARG 76 N 0.74 0.57 -0.08 0.04 3.08 -0.88 0.84 114.38 118.70 3ag3 h ARG 76 Ca 0.07 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 3ag3 h ARG 76 Cb 0.90 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3ag3 h ARG 76 CO 0.08 0.38 -0.56 0.00 -1.07 0.00 0.00 179.97 178.80 3ag3 h ALA 77 N 1.43 0.92 0.00 0.04 0.00 -1.24 -2.74 119.26 117.66 3ag3 h ALA 77 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ag3 h ALA 77 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ag3 h ALA 77 CO -0.27 0.70 0.00 -1.91 0.00 0.00 0.00 179.25 177.76 3ag3 n GLU 78 N -3.91 0.20 -0.86 0.00 2.13 -0.18 -4.94 120.64 113.09 3ag3 n GLU 78 Ca -0.02 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3ag3 n GLU 78 Cb 0.58 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.53 3ag3 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ag3 n GLY 79 N 0.97 0.50 0.09 8.31 0.00 -0.27 -4.95 105.19 109.84 3ag3 n GLY 79 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.44 3ag3 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag3 n THR 80 N -2.86 1.09 -2.21 2.61 -2.24 0.13 -5.01 114.28 105.79 3ag3 n THR 80 Ca 0.00 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 3ag3 n THR 80 Cb 0.00 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 3ag3 n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ag3 s PHE 81 N -1.17 2.99 -0.94 4.78 5.36 -1.11 -4.89 117.98 123.00 3ag3 s PHE 81 Ca 0.06 0.87 0.26 0.00 -0.96 0.00 0.00 56.93 57.16 3ag3 s PHE 81 Cb 0.04 -3.66 0.71 0.00 -0.34 0.00 0.00 43.02 39.77 3ag3 s PHE 81 CO 0.02 -2.39 1.56 -0.35 -1.46 0.00 0.00 175.22 172.61 3ag3 n PRO 82 N 4.87 0.05 -2.55 10.12 -0.04 -1.26 -4.83 135.00 141.37 3ag3 n PRO 82 Ca 0.12 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 3ag3 n PRO 82 Cb 0.43 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 3ag3 n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ag3 s GLY 83 N -3.12 1.76 -0.17 0.55 0.00 -1.26 -5.05 107.32 100.04 3ag3 s GLY 83 Ca 0.11 -0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.35 3ag3 s GLY 83 CO 0.65 -0.02 0.81 0.54 0.00 0.00 0.00 173.10 175.08 3ag3 s LYS 84 N -4.41 4.30 0.00 2.90 1.02 -1.26 -5.16 119.74 117.13 3ag3 s LYS 84 Ca 0.52 0.98 0.00 0.00 0.02 0.00 0.00 55.97 57.48 3ag3 s LYS 84 Cb -0.10 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 3ag3 s LYS 84 CO 0.40 -0.31 0.49 -0.89 -0.92 0.00 0.00 175.35 174.13