#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 n ILE 8 N 0.00 0.00 0.00 -0.18 0.13 -1.26 -4.93 119.36 113.12 3ag1 n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3ag1 n ILE 8 Cb 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 39.64 38.64 3ag1 n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3ag1 n LYS 9 N -2.00 0.00 -2.92 9.51 3.00 -1.26 -4.93 118.16 119.57 3ag1 n LYS 9 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 3ag1 n LYS 9 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.09 3ag1 n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ag1 n ASN 10 N 0.00 -2.50 -4.82 3.14 5.15 -1.26 -5.03 115.26 109.94 3ag1 n ASN 10 Ca 0.00 -0.43 -0.38 0.00 -0.60 0.00 0.00 54.58 53.18 3ag1 n ASN 10 Cb 0.00 -3.62 -0.06 0.00 -0.53 0.00 0.00 39.78 35.57 3ag1 n ASN 10 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3ag1 s TYR 11 N -3.24 3.69 -0.09 1.20 6.14 -1.26 -5.06 117.35 118.73 3ag1 s TYR 11 Ca 0.05 0.94 -0.08 0.00 0.64 0.00 0.00 57.07 58.61 3ag1 s TYR 11 Cb -0.01 -2.29 -0.03 0.00 0.42 0.00 0.00 41.96 40.05 3ag1 s TYR 11 CO 0.49 0.59 -0.16 1.04 0.64 0.00 0.00 175.55 178.15 3ag1 n GLN 12 N 2.08 0.26 -4.04 4.97 6.02 -1.26 -5.09 117.38 120.32 3ag1 n GLN 12 Ca -0.14 0.14 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3ag1 n GLN 12 Cb 0.52 -0.99 -0.07 0.00 1.02 0.00 0.00 30.24 30.72 3ag1 n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ag1 s THR 13 N -1.91 0.02 -0.15 5.09 -1.32 -1.26 -5.11 115.64 111.00 3ag1 s THR 13 Ca -0.14 -1.56 -0.38 0.00 -1.21 0.00 0.00 61.69 58.40 3ag1 s THR 13 Cb 0.02 -2.18 -0.15 0.00 -1.51 0.00 0.00 72.50 68.68 3ag1 s THR 13 CO 0.20 -0.08 1.65 0.00 -2.21 0.00 0.00 174.62 174.18 3ag1 n ALA 14 N -0.31 -0.22 -1.60 11.08 0.00 -1.26 -4.96 120.51 123.24 3ag1 n ALA 14 Ca -0.02 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 3ag1 n ALA 14 Cb 0.63 -2.22 0.17 0.00 0.00 0.00 0.00 19.45 18.04 3ag1 n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ag1 s PRO 15 N 2.73 0.48 0.31 0.00 0.04 -1.26 -5.01 135.00 132.30 3ag1 s PRO 15 Ca 0.94 -0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 3ag1 s PRO 15 Cb -0.99 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 31.65 3ag1 s PRO 15 CO 0.58 -2.58 1.46 0.12 0.04 0.00 0.00 177.00 176.63 3ag1 s PHE 16 N -3.46 2.85 -0.21 0.56 2.19 -1.26 -4.99 117.98 113.66 3ag1 s PHE 16 Ca 0.69 1.08 0.01 0.00 0.33 0.00 0.00 56.93 59.04 3ag1 s PHE 16 Cb -0.09 -3.90 0.05 0.00 -1.31 0.00 0.00 43.02 37.76 3ag1 s PHE 16 CO 0.53 -2.80 -0.10 0.34 1.83 0.00 0.00 175.22 175.02 3ag1 s ASP 17 N 0.09 3.62 0.45 6.13 -1.08 -1.26 -5.00 116.67 119.62 3ag1 s ASP 17 Ca 0.56 -1.00 0.30 0.00 -0.52 0.00 0.00 52.55 51.90 3ag1 s ASP 17 Cb -0.44 -1.29 1.60 0.00 -1.46 0.00 0.00 42.92 41.33 3ag1 s ASP 17 CO 0.51 -0.16 1.93 0.77 0.52 0.00 0.00 175.17 178.75 3ag1 h SER 18 N 7.94 0.00 0.43 -0.34 4.64 -2.00 0.26 113.55 124.48 3ag1 h SER 18 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3ag1 h SER 18 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3ag1 h SER 18 CO 0.47 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.46 3ag1 h ARG 19 N 0.00 0.00 -1.52 4.77 3.08 -2.02 -3.34 114.38 115.35 3ag1 h ARG 19 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3ag1 h ARG 19 Cb 0.07 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.80 3ag1 h ARG 19 CO 0.00 0.00 -0.92 1.19 -1.07 0.00 0.00 179.97 179.17 3ag1 n PHE 20 N -2.39 -1.30 1.57 3.04 3.01 0.93 -4.98 117.46 117.33 3ag1 n PHE 20 Ca 0.00 -3.00 0.14 0.00 1.01 0.00 0.00 57.45 55.61 3ag1 n PHE 20 Cb 0.15 0.26 0.60 0.00 -0.01 0.00 0.00 39.48 40.48 3ag1 n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ag1 n PRO 21 N 1.70 1.41 -3.74 -1.08 -0.04 -1.24 -4.66 135.00 127.35 3ag1 n PRO 21 Ca 0.19 -0.69 -0.25 0.00 -0.04 0.00 0.00 63.50 62.71 3ag1 n PRO 21 Cb 0.55 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 3ag1 n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3ag1 s ASN 22 N -2.07 4.71 0.47 3.54 0.01 -1.26 -5.01 114.94 115.32 3ag1 s ASN 22 Ca 0.38 -1.18 0.12 0.00 -0.71 0.00 0.00 52.86 51.47 3ag1 s ASN 22 Cb 0.21 0.41 1.08 0.00 0.41 0.00 0.00 41.25 43.36 3ag1 s ASN 22 CO 0.36 -1.15 2.10 1.56 -1.51 0.00 0.00 177.10 178.46 3ag1 h GLN 23 N 0.65 0.26 -5.99 -0.60 4.20 -2.06 -3.39 115.11 108.18 3ag1 h GLN 23 Ca -0.35 -0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.74 3ag1 h GLN 23 Cb 1.30 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.92 3ag1 h GLN 23 CO 0.54 0.17 0.52 1.21 -0.67 0.00 0.00 178.83 180.61 3ag1 s ASN 24 N -6.82 6.63 0.00 1.46 3.84 -1.26 -4.87 114.94 113.92 3ag1 s ASN 24 Ca -0.07 0.48 0.13 0.00 0.21 0.00 0.00 52.86 53.62 3ag1 s ASN 24 Cb 0.17 -2.44 0.10 0.00 -0.55 0.00 0.00 41.25 38.53 3ag1 s ASN 24 CO 0.70 -0.82 0.91 0.00 -2.79 0.00 0.00 177.10 175.10 3ag1 n GLN 25 N 6.67 0.82 -0.33 0.43 1.13 -1.26 -4.72 117.38 120.11 3ag1 n GLN 25 Ca 0.06 -1.26 0.08 0.00 -1.94 0.00 0.00 57.00 53.93 3ag1 n GLN 25 Cb 0.48 -1.25 0.17 0.00 0.11 0.00 0.00 30.24 29.76 3ag1 n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ag1 h THR 26 N 2.53 0.06 -0.00 5.09 2.02 -1.97 -0.57 112.91 120.07 3ag1 h THR 26 Ca 0.00 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 3ag1 h THR 26 Cb 0.54 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3ag1 h THR 26 CO 0.00 0.00 -0.78 -0.09 0.37 0.00 0.00 175.52 175.02 3ag1 h ARG 27 N 0.01 0.07 0.27 6.66 9.65 -1.98 -1.82 114.38 127.24 3ag1 h ARG 27 Ca 0.49 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.30 3ag1 h ARG 27 Cb 0.83 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.40 3ag1 h ARG 27 CO -0.94 0.82 -0.35 -0.97 2.80 0.00 0.00 179.97 181.32 3ag1 h ASN 28 N 0.04 -0.97 -0.48 -3.80 -0.73 -1.44 0.23 115.58 108.42 3ag1 h ASN 28 Ca -0.02 0.09 0.09 0.00 1.87 0.00 0.00 56.30 58.33 3ag1 h ASN 28 Cb 1.38 0.34 -0.10 0.00 0.27 0.00 0.00 38.32 40.21 3ag1 h ASN 28 CO 0.11 -0.47 -0.36 0.00 -0.37 0.00 0.00 177.43 176.34 3ag1 h TRP 30 N -0.23 -0.02 -0.09 0.00 2.91 -1.17 -1.67 115.95 115.68 3ag1 h TRP 30 Ca 0.19 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.21 3ag1 h TRP 30 Cb 0.55 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.21 3ag1 h TRP 30 CO -0.60 0.07 0.05 0.37 -1.03 0.00 0.00 178.44 177.30 3ag1 h GLN 31 N -0.11 0.13 -0.98 2.65 5.75 -0.57 -1.67 115.11 120.31 3ag1 h GLN 31 Ca -0.00 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 3ag1 h GLN 31 Cb 0.10 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 3ag1 h GLN 31 CO 0.00 0.14 0.64 -0.91 -2.65 0.00 0.00 178.83 176.05 3ag1 h ASN 32 N 0.08 1.06 -0.53 -0.69 2.35 -1.35 0.26 115.58 116.76 3ag1 h ASN 32 Ca 0.03 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3ag1 h ASN 32 Cb 0.04 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3ag1 h ASN 32 CO -0.01 0.72 0.22 0.22 -1.65 0.00 0.00 177.43 176.94 3ag1 h TYR 33 N 1.23 0.83 0.44 1.19 3.20 -1.10 0.78 116.97 123.54 3ag1 h TYR 33 Ca 0.40 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 3ag1 h TYR 33 Cb 0.03 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3ag1 h TYR 33 CO -0.00 0.65 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.88 3ag1 h LEU 34 N 0.82 -0.50 -0.66 2.82 3.38 -0.11 -2.34 115.31 118.72 3ag1 h LEU 34 Ca 0.20 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.19 3ag1 h LEU 34 Cb 0.17 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 3ag1 h LEU 34 CO -0.02 -0.12 -0.19 0.44 0.09 0.00 0.00 178.44 178.64 3ag1 h ASP 35 N -0.93 -0.68 -0.12 -0.43 3.45 -0.52 0.54 116.42 117.72 3ag1 h ASP 35 Ca -0.06 0.21 0.02 0.00 0.43 0.00 0.00 57.03 57.63 3ag1 h ASP 35 Cb 0.57 0.44 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 3ag1 h ASP 35 CO 0.10 -0.23 -0.04 0.15 -1.57 0.00 0.00 179.24 177.65 3ag1 h PHE 36 N -0.02 -0.08 0.00 4.55 3.57 -0.83 0.49 116.94 124.63 3ag1 h PHE 36 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3ag1 h PHE 36 Cb 0.50 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3ag1 h PHE 36 CO -0.55 -0.06 0.00 0.45 -2.23 0.00 0.00 178.31 175.92 3ag1 h HIS 37 N -0.01 0.00 -0.00 0.41 3.86 -0.76 0.35 115.15 119.00 3ag1 h HIS 37 Ca 0.06 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3ag1 h HIS 37 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3ag1 h HIS 37 CO -0.17 0.00 -0.18 0.00 0.86 0.00 0.00 177.93 178.44 3ag1 h ARG 38 N 0.00 0.12 -0.43 2.45 3.08 0.46 -2.82 114.38 117.25 3ag1 h ARG 38 Ca 0.00 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 59.99 3ag1 h ARG 38 Cb 0.79 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 3ag1 h ARG 38 CO 0.00 0.89 0.09 0.00 -1.07 0.00 0.00 179.97 179.87 3ag1 h GLU 40 N 0.22 0.28 -0.01 0.00 4.81 -1.00 -1.93 114.58 116.96 3ag1 h GLU 40 Ca 0.21 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3ag1 h GLU 40 Cb 0.26 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3ag1 h GLU 40 CO -0.27 0.27 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.75 3ag1 h LYS 41 N 0.22 -0.36 -0.95 1.92 3.64 -1.35 -0.90 116.57 118.78 3ag1 h LYS 41 Ca 0.07 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.74 3ag1 h LYS 41 Cb 0.07 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 31.84 3ag1 h LYS 41 CO -0.01 -0.24 0.46 0.00 -2.27 0.00 0.00 179.45 177.39 3ag1 h ALA 42 N -0.88 1.67 -0.17 5.00 0.00 -1.34 0.60 119.26 124.14 3ag1 h ALA 42 Ca 0.01 0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 3ag1 h ALA 42 Cb 0.41 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ag1 h ALA 42 CO -0.21 -0.45 -0.74 0.52 0.00 0.00 0.00 179.25 178.38 3ag1 h MET 43 N 0.36 0.79 0.00 0.00 2.86 -1.12 -0.43 114.93 117.39 3ag1 h MET 43 Ca 0.64 -0.61 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3ag1 h MET 43 Cb 1.34 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 3ag1 h MET 43 CO -0.58 1.23 -0.40 1.15 1.06 0.00 0.00 176.91 179.37 3ag1 h THR 44 N 0.55 0.88 0.00 2.22 2.02 -0.10 -2.86 112.91 115.62 3ag1 h THR 44 Ca -0.04 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.48 3ag1 h THR 44 Cb 1.36 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 3ag1 h THR 44 CO 0.15 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.44 3ag1 n ALA 45 N -2.28 0.00 0.00 6.16 0.00 0.20 -4.51 120.51 120.08 3ag1 n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ag1 n ALA 45 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3ag1 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag1 n LYS 46 N 0.00 0.00 -1.72 0.00 4.76 -0.18 -4.77 118.16 116.24 3ag1 n LYS 46 Ca 0.00 0.04 -0.01 0.00 -2.87 0.00 0.00 58.31 55.48 3ag1 n LYS 46 Cb 0.00 -1.53 -0.00 0.00 -1.84 0.00 0.00 35.03 31.65 3ag1 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ag1 n GLY 47 N -0.86 -3.25 3.82 0.72 0.00 -1.09 -5.08 105.19 99.46 3ag1 n GLY 47 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3ag1 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ag1 s GLY 48 N -0.23 -0.22 -0.10 -0.02 0.00 -1.13 -5.07 107.32 100.56 3ag1 s GLY 48 Ca -0.03 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 3ag1 s GLY 48 CO 0.15 2.88 0.27 -0.35 0.00 0.00 0.00 173.10 176.05 3ag1 s ASP 49 N -3.40 6.53 0.17 1.64 3.68 -1.26 -4.65 116.67 119.37 3ag1 s ASP 49 Ca 0.22 0.63 0.19 0.00 2.13 0.00 0.00 52.55 55.71 3ag1 s ASP 49 Cb 0.01 -2.16 0.82 0.00 -1.45 0.00 0.00 42.92 40.14 3ag1 s ASP 49 CO -0.01 0.28 1.58 0.52 0.13 0.00 0.00 175.17 177.66 3ag1 n VAL 50 N 2.48 0.99 0.65 1.11 0.31 -1.26 -3.25 118.33 119.36 3ag1 n VAL 50 Ca -0.15 0.31 0.07 0.00 -0.01 0.00 0.00 64.34 64.55 3ag1 n VAL 50 Cb 0.53 -1.20 0.34 0.00 -0.91 0.00 0.00 33.84 32.60 3ag1 n VAL 50 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ag1 n SER 51 N -1.96 0.00 0.12 4.52 3.41 -1.26 -1.35 113.62 117.10 3ag1 n SER 51 Ca 0.02 0.05 0.01 0.00 -0.26 0.00 0.00 58.87 58.69 3ag1 n SER 51 Cb 0.17 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 3ag1 n SER 51 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3ag1 h VAL 52 N 0.00 0.95 0.00 -3.33 -1.51 -2.00 -3.21 116.25 107.16 3ag1 h VAL 52 Ca 0.00 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 3ag1 h VAL 52 Cb 0.11 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3ag1 h VAL 52 CO 0.00 0.54 0.00 0.00 -1.23 0.00 0.00 177.57 176.88 3ag1 h GLU 54 N 0.00 0.31 -0.71 0.00 4.57 -1.63 -2.83 114.58 114.30 3ag1 h GLU 54 Ca 0.00 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.23 3ag1 h GLU 54 Cb 0.00 -0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.42 3ag1 h GLU 54 CO 0.00 0.47 -0.28 2.35 -1.18 0.00 0.00 179.01 180.38 3ag1 h TRP 55 N 0.10 -0.71 -0.62 0.92 2.91 -1.84 -0.79 115.95 115.93 3ag1 h TRP 55 Ca 0.06 0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.21 3ag1 h TRP 55 Cb 0.31 0.42 -0.05 0.00 -0.51 0.00 0.00 29.16 29.33 3ag1 h TRP 55 CO 0.02 -0.36 0.34 1.88 -1.03 0.00 0.00 178.44 179.28 3ag1 h TYR 56 N -0.07 0.61 -0.89 2.65 -1.99 -1.82 -1.24 116.97 114.22 3ag1 h TYR 56 Ca 0.30 0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.08 3ag1 h TYR 56 Cb 0.56 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 3ag1 h TYR 56 CO -0.65 0.29 0.58 -0.09 -0.00 0.00 0.00 178.16 178.30 3ag1 h ARG 57 N 0.63 1.12 -0.15 4.88 2.43 -1.09 -0.89 114.38 121.31 3ag1 h ARG 57 Ca 0.28 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3ag1 h ARG 57 Cb 0.18 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3ag1 h ARG 57 CO -0.18 0.74 -0.10 0.00 -1.51 0.00 0.00 179.97 178.92 3ag1 h ARG 58 N 1.16 0.33 -0.06 0.20 2.47 -0.54 -2.05 114.38 115.89 3ag1 h ARG 58 Ca 0.34 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3ag1 h ARG 58 Cb -0.06 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3ag1 h ARG 58 CO -0.10 0.68 0.04 0.28 0.56 0.00 0.00 179.97 181.43 3ag1 h VAL 59 N -0.02 1.03 0.00 2.04 2.07 -1.11 -2.06 116.25 118.19 3ag1 h VAL 59 Ca 0.03 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3ag1 h VAL 59 Cb 0.60 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3ag1 h VAL 59 CO 0.03 0.03 -0.23 0.10 0.02 0.00 0.00 177.57 177.52 3ag1 h TYR 60 N 0.06 0.00 -0.10 1.57 -0.00 -1.14 -1.44 116.97 115.93 3ag1 h TYR 60 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.64 3ag1 h TYR 60 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.75 3ag1 h TYR 60 CO -0.07 0.23 -0.39 0.87 -0.00 0.00 0.00 178.16 178.80 3ag1 h LYS 61 N 0.00 0.43 0.10 0.10 1.57 -1.25 0.38 116.57 117.91 3ag1 h LYS 61 Ca -0.00 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3ag1 h LYS 61 Cb 0.56 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3ag1 h LYS 61 CO 0.03 0.97 -0.12 0.77 -0.57 0.00 0.00 179.45 180.52 3ag1 h SER 62 N -0.01 -0.34 0.49 0.86 0.02 -1.18 -3.36 113.55 110.04 3ag1 h SER 62 Ca -0.02 0.04 -0.30 0.00 -0.84 0.00 0.00 61.79 60.67 3ag1 h SER 62 Cb 1.03 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3ag1 h SER 62 CO 0.08 -0.19 -1.55 -0.07 -1.14 0.00 0.00 176.83 173.96 3ag1 h LEU 63 N -0.26 0.27 -9.72 5.07 3.38 -1.20 -3.48 115.31 109.36 3ag1 h LEU 63 Ca 0.01 -0.40 -0.51 0.00 0.09 0.00 0.00 57.88 57.06 3ag1 h LEU 63 Cb 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3ag1 h LEU 63 CO -0.05 1.34 0.25 0.00 0.09 0.00 0.00 178.44 180.07 3ag1 n PRO 65 N 1.63 1.45 -0.20 0.00 -0.02 -1.26 -4.88 135.00 131.73 3ag1 n PRO 65 Ca -0.04 0.53 -0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3ag1 n PRO 65 Cb 0.48 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.77 3ag1 n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ag1 h ILE 66 N 1.40 0.97 0.00 4.25 2.04 -1.95 -0.69 117.51 123.53 3ag1 h ILE 66 Ca -0.48 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3ag1 h ILE 66 Cb 1.33 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3ag1 h ILE 66 CO 0.56 0.11 -0.10 0.77 0.00 0.00 0.00 178.15 179.49 3ag1 h SER 67 N 0.59 0.00 0.00 1.72 4.64 -1.98 0.15 113.55 118.67 3ag1 h SER 67 Ca 0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.51 3ag1 h SER 67 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3ag1 h SER 67 CO -0.16 0.10 -0.24 -0.50 -0.87 0.00 0.00 176.83 175.16 3ag1 h TRP 68 N 0.00 0.24 -0.14 4.77 4.06 -1.52 -0.60 115.95 122.76 3ag1 h TRP 68 Ca -0.00 -0.13 0.02 0.00 2.06 0.00 0.00 58.89 60.84 3ag1 h TRP 68 Cb 0.38 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 3ag1 h TRP 68 CO 0.00 0.94 0.01 0.28 -3.56 0.00 0.00 178.44 176.12 3ag1 h VAL 69 N -0.53 0.93 -0.85 1.49 2.07 -1.01 -0.18 116.25 118.17 3ag1 h VAL 69 Ca -0.03 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ag1 h VAL 69 Cb 1.01 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3ag1 h VAL 69 CO 0.05 0.01 0.40 -1.28 0.02 0.00 0.00 177.57 176.77 3ag1 h SER 70 N 0.07 1.12 -0.49 0.57 0.87 -0.79 0.12 113.55 115.01 3ag1 h SER 70 Ca 0.06 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 3ag1 h SER 70 Cb 0.06 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3ag1 h SER 70 CO -0.09 0.94 0.06 0.74 -0.53 0.00 0.00 176.83 177.95 3ag1 h THR 71 N 1.21 1.25 0.05 2.23 2.02 -0.70 -1.05 112.91 117.92 3ag1 h THR 71 Ca 0.29 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ag1 h THR 71 Cb 0.13 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3ag1 h THR 71 CO -0.03 0.34 -0.02 -0.50 0.37 0.00 0.00 175.52 175.67 3ag1 h TRP 72 N 0.69 -0.06 -0.57 3.16 6.55 -0.82 -1.99 115.95 122.91 3ag1 h TRP 72 Ca 0.15 -0.00 0.11 0.00 0.95 0.00 0.00 58.89 60.10 3ag1 h TRP 72 Cb 0.42 0.02 -0.11 0.00 -0.86 0.00 0.00 29.16 28.64 3ag1 h TRP 72 CO 0.03 0.13 -0.12 -0.44 -1.05 0.00 0.00 178.44 176.99 3ag1 h ASP 73 N -0.25 -0.49 -0.60 -3.49 3.45 -0.99 0.25 116.42 114.30 3ag1 h ASP 73 Ca -0.01 0.17 0.11 0.00 0.43 0.00 0.00 57.03 57.73 3ag1 h ASP 73 Cb 0.22 0.34 -0.08 0.00 -0.56 0.00 0.00 39.33 39.25 3ag1 h ASP 73 CO 0.01 -0.18 0.14 0.44 -1.57 0.00 0.00 179.24 178.08 3ag1 h ASP 74 N 0.01 0.03 0.29 6.45 3.32 -1.04 -1.20 116.42 124.29 3ag1 h ASP 74 Ca 0.28 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.33 3ag1 h ASP 74 Cb 0.43 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3ag1 h ASP 74 CO -0.57 0.02 -0.43 0.03 -1.72 0.00 0.00 179.24 176.57 3ag1 h ARG 75 N 0.27 0.18 -0.31 3.56 3.08 -0.54 -0.27 114.38 120.35 3ag1 h ARG 75 Ca 0.32 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 3ag1 h ARG 75 Cb 0.46 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3ag1 h ARG 75 CO -0.39 0.58 -0.19 0.00 -1.07 0.00 0.00 179.97 178.90 3ag1 h ARG 76 N 0.15 0.67 -0.96 0.04 3.08 0.37 -0.65 114.38 117.08 3ag1 h ARG 76 Ca 0.01 -0.31 0.06 0.00 0.07 0.00 0.00 59.98 59.81 3ag1 h ARG 76 Cb 0.83 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.80 3ag1 h ARG 76 CO 0.06 0.91 0.62 0.00 -1.07 0.00 0.00 179.97 180.49 3ag1 h ALA 77 N 0.75 1.33 -0.00 0.04 0.00 -0.85 -2.00 119.26 118.53 3ag1 h ALA 77 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ag1 h ALA 77 Cb 0.73 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ag1 h ALA 77 CO 0.05 0.40 -0.07 -1.91 0.00 0.00 0.00 179.25 177.72 3ag1 n GLU 78 N -4.54 0.53 -1.08 0.00 2.13 -0.15 -4.92 120.64 112.61 3ag1 n GLU 78 Ca 0.15 -0.12 -0.03 0.00 0.66 0.00 0.00 57.16 57.82 3ag1 n GLU 78 Cb 0.18 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 3ag1 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ag1 n GLY 79 N 1.30 0.59 0.77 8.31 0.00 -0.44 -4.93 105.19 110.79 3ag1 n GLY 79 Ca 0.14 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.81 3ag1 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag1 n THR 80 N -2.79 1.46 -2.18 2.61 -2.24 -0.38 -4.99 114.28 105.77 3ag1 n THR 80 Ca -0.03 -1.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.03 3ag1 n THR 80 Cb 0.16 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 3ag1 n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ag1 s PHE 81 N -1.64 2.86 -1.22 4.78 5.36 -1.02 -4.92 117.98 122.18 3ag1 s PHE 81 Ca 0.31 0.78 0.25 0.00 -0.96 0.00 0.00 56.93 57.31 3ag1 s PHE 81 Cb 0.20 -3.70 0.53 0.00 -0.34 0.00 0.00 43.02 39.71 3ag1 s PHE 81 CO 0.14 -2.60 1.42 -0.35 -1.46 0.00 0.00 175.22 172.37 3ag1 n PRO 82 N 5.17 0.25 -1.74 10.12 -0.04 -1.26 -4.86 135.00 142.64 3ag1 n PRO 82 Ca 0.13 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 3ag1 n PRO 82 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 3ag1 n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ag1 s GLY 83 N -2.86 1.64 -0.33 0.55 0.00 -1.26 -5.03 107.32 100.03 3ag1 s GLY 83 Ca 0.15 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.54 3ag1 s GLY 83 CO 0.66 0.19 0.44 1.25 0.00 0.00 0.00 173.10 175.63 3ag1 s LYS 84 N -5.20 3.66 0.00 2.90 2.20 -1.26 -5.18 119.74 116.86 3ag1 s LYS 84 Ca 0.58 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 3ag1 s LYS 84 Cb -0.12 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 3ag1 s LYS 84 CO 0.54 -0.54 0.51 -0.89 -0.36 0.00 0.00 175.35 174.61