#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 -0.00 -1.26 -5.00 119.36 112.92 3ag1 n ILE 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3ag1 n ILE 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 3ag1 n ILE 8 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 3ag1 n LYS 9 N -2.00 3.08 -1.22 0.38 3.00 -1.26 -4.89 118.16 115.25 3ag1 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ag1 n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.66 -4.72 3.14 2.85 -1.26 -5.07 115.26 109.54 3ag1 n ASN 10 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 3ag1 n ASN 10 Cb 0.00 -0.30 -0.03 0.00 1.24 0.00 0.00 39.78 40.69 3ag1 n ASN 10 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3ag1 s TYR 11 N -2.06 3.22 -0.08 1.20 6.14 -1.26 -4.96 117.35 119.54 3ag1 s TYR 11 Ca 0.00 1.00 -0.07 0.00 0.64 0.00 0.00 57.07 58.64 3ag1 s TYR 11 Cb 0.00 -3.69 -0.02 0.00 0.42 0.00 0.00 41.96 38.67 3ag1 s TYR 11 CO 0.00 -2.35 -0.14 1.04 0.64 0.00 0.00 175.55 174.74 3ag1 n GLN 12 N 3.49 0.24 -4.07 4.97 6.02 -1.26 -5.10 117.38 121.67 3ag1 n GLN 12 Ca 0.10 0.18 -0.15 0.00 -0.01 0.00 0.00 57.00 57.13 3ag1 n GLN 12 Cb 0.42 -1.02 -0.03 0.00 1.02 0.00 0.00 30.24 30.63 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 -1.81 0.00 0.02 5.09 -1.32 -1.26 -5.12 115.64 111.24 3ag1 s THR 13 Ca -0.12 -1.55 -0.30 0.00 -1.21 0.00 0.00 61.69 58.51 3ag1 s THR 13 Cb 0.02 -2.69 -0.07 0.00 -1.51 0.00 0.00 72.50 68.25 3ag1 s THR 13 CO 0.17 0.00 1.56 0.00 -2.21 0.00 0.00 174.62 174.15 3ag1 s ALA 14 N -2.90 3.64 0.81 11.08 0.00 -1.26 -4.97 121.76 128.15 3ag1 s ALA 14 Ca 0.30 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 3ag1 s ALA 14 Cb -0.01 -3.67 0.08 0.00 0.00 0.00 0.00 23.12 19.52 3ag1 s ALA 14 CO 0.20 -1.08 1.10 -1.25 0.00 0.00 0.00 175.76 174.73 3ag1 s PRO 15 N 2.77 1.99 0.24 0.00 0.04 -1.26 -5.00 135.00 133.78 3ag1 s PRO 15 Ca 0.70 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 3ag1 s PRO 15 Cb -0.36 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.12 3ag1 s PRO 15 CO 0.30 -1.69 0.87 0.34 0.04 0.00 0.00 177.00 176.85 3ag1 n PHE 16 N -3.49 0.67 -3.78 0.56 -0.00 -1.26 -4.98 117.46 105.19 3ag1 n PHE 16 Ca 0.07 0.80 -0.27 0.00 -0.00 0.00 0.00 57.45 58.05 3ag1 n PHE 16 Cb 0.56 -2.15 -0.17 0.00 -0.00 0.00 0.00 39.48 37.72 3ag1 n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3ag1 s ASP 17 N -0.63 2.65 0.23 -2.13 -1.08 -1.26 -5.01 116.67 109.43 3ag1 s ASP 17 Ca 0.63 -0.65 0.20 0.00 -0.52 0.00 0.00 52.55 52.21 3ag1 s ASP 17 Cb -0.81 -0.64 0.92 0.00 -1.46 0.00 0.00 42.92 40.93 3ag1 s ASP 17 CO 0.58 -0.26 1.61 -1.54 0.52 0.00 0.00 175.17 176.08 3ag1 n SER 18 N 5.03 0.51 0.30 -0.34 3.41 -1.26 -0.12 113.62 121.14 3ag1 n SER 18 Ca -0.09 0.66 0.19 0.00 -0.26 0.00 0.00 58.87 59.36 3ag1 n SER 18 Cb 0.48 -0.76 0.89 0.00 -0.26 0.00 0.00 64.21 64.56 3ag1 n SER 18 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ag1 h ARG 19 N 0.00 0.00 -2.04 4.33 3.08 -2.02 -3.36 114.38 114.37 3ag1 h ARG 19 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3ag1 h ARG 19 Cb 0.22 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.88 3ag1 h ARG 19 CO 0.00 0.02 -1.07 1.19 -1.07 0.00 0.00 179.97 179.05 3ag1 n PHE 20 N -3.18 -0.13 1.21 3.04 3.01 0.83 -4.95 117.46 117.29 3ag1 n PHE 20 Ca -0.01 -3.59 0.13 0.00 1.01 0.00 0.00 57.45 54.99 3ag1 n PHE 20 Cb 0.21 -0.33 0.41 0.00 -0.01 0.00 0.00 39.48 39.76 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 1.45 0.59 -2.43 -1.08 -0.04 -1.24 -4.62 135.00 127.63 3ag1 n PRO 21 Ca 0.22 -0.31 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 3ag1 n PRO 21 Cb 0.52 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3ag1 n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ag1 n ASN 22 N -0.93 1.53 0.13 3.54 3.02 -1.26 -5.01 115.26 116.27 3ag1 n ASN 22 Ca 0.11 -2.07 0.02 0.00 -0.03 0.00 0.00 54.58 52.60 3ag1 n ASN 22 Cb 0.33 -0.26 0.36 0.00 -0.61 0.00 0.00 39.78 39.61 3ag1 n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3ag1 h GLN 23 N 0.00 0.20 -6.63 3.52 4.20 -2.06 -3.40 115.11 110.95 3ag1 h GLN 23 Ca -0.19 -0.06 -0.57 0.00 0.06 0.00 0.00 58.65 57.90 3ag1 h GLN 23 Cb 0.85 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.53 3ag1 h GLN 23 CO 0.28 0.41 0.89 1.21 -0.67 0.00 0.00 178.83 180.94 3ag1 s ASN 24 N -6.89 6.64 -0.06 1.46 3.84 -1.26 -4.86 114.94 113.81 3ag1 s ASN 24 Ca -0.05 0.47 0.15 0.00 0.21 0.00 0.00 52.86 53.64 3ag1 s ASN 24 Cb 0.15 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.78 3ag1 s ASN 24 CO 0.74 -1.21 1.40 0.00 -2.79 0.00 0.00 177.10 175.24 3ag1 n GLN 25 N 7.71 3.05 -0.32 0.43 1.13 -1.26 -4.67 117.38 123.44 3ag1 n GLN 25 Ca 0.11 -2.45 0.03 0.00 -1.94 0.00 0.00 57.00 52.76 3ag1 n GLN 25 Cb 0.49 -1.54 0.18 0.00 0.11 0.00 0.00 30.24 29.47 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 2.65 0.95 0.00 5.09 2.02 -1.97 -2.17 112.91 119.48 3ag1 h THR 26 Ca 0.00 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3ag1 h THR 26 Cb 1.05 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3ag1 h THR 26 CO 0.09 0.16 -0.48 -0.09 0.37 0.00 0.00 175.52 175.58 3ag1 h ARG 27 N 0.90 0.00 0.23 6.66 2.43 -1.99 -2.40 114.38 120.21 3ag1 h ARG 27 Ca 0.42 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 3ag1 h ARG 27 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3ag1 h ARG 27 CO -0.23 0.28 -0.11 -0.97 -1.51 0.00 0.00 179.97 177.44 3ag1 h ASN 28 N 0.00 -0.26 -0.02 -3.80 -0.73 -1.73 0.21 115.58 109.25 3ag1 h ASN 28 Ca -0.02 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.18 3ag1 h ASN 28 Cb 1.25 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.86 3ag1 h ASN 28 CO 0.04 -0.17 -0.37 0.00 -0.37 0.00 0.00 177.43 176.56 3ag1 h TRP 30 N -0.52 0.55 -0.60 0.00 2.91 -1.23 -1.53 115.95 115.55 3ag1 h TRP 30 Ca 0.06 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.02 3ag1 h TRP 30 Cb 0.61 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 3ag1 h TRP 30 CO -0.39 0.30 0.05 0.37 -1.03 0.00 0.00 178.44 177.74 3ag1 h GLN 31 N 0.59 1.02 -0.18 2.65 5.75 -0.54 -1.92 115.11 122.49 3ag1 h GLN 31 Ca 0.22 -0.30 -0.12 0.00 -0.15 0.00 0.00 58.65 58.30 3ag1 h GLN 31 Cb 0.07 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3ag1 h GLN 31 CO -0.12 0.99 -0.41 -0.91 -2.65 0.00 0.00 178.83 175.72 3ag1 h ASN 32 N 0.92 0.43 -0.46 -0.69 2.35 -1.32 0.41 115.58 117.22 3ag1 h ASN 32 Ca 0.18 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3ag1 h ASN 32 Cb 0.49 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3ag1 h ASN 32 CO 0.02 0.79 0.08 0.22 -1.65 0.00 0.00 177.43 176.89 3ag1 h TYR 33 N 0.34 0.81 0.13 1.19 3.20 -0.83 -0.60 116.97 121.20 3ag1 h TYR 33 Ca 0.03 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3ag1 h TYR 33 Cb 0.86 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3ag1 h TYR 33 CO 0.03 0.76 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.17 3ag1 h LEU 34 N 0.64 -0.15 -0.61 2.82 3.38 -1.24 -2.60 115.31 117.55 3ag1 h LEU 34 Ca 0.14 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3ag1 h LEU 34 Cb 0.38 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 3ag1 h LEU 34 CO 0.01 0.18 -0.10 0.44 0.09 0.00 0.00 178.44 179.06 3ag1 h ASP 35 N -0.49 -0.48 -0.45 -0.43 3.45 -0.05 -0.07 116.42 117.90 3ag1 h ASP 35 Ca -0.02 0.17 0.03 0.00 0.43 0.00 0.00 57.03 57.64 3ag1 h ASP 35 Cb 0.39 0.35 -0.03 0.00 -0.56 0.00 0.00 39.33 39.47 3ag1 h ASP 35 CO 0.03 -0.18 0.25 0.15 -1.57 0.00 0.00 179.24 177.93 3ag1 h PHE 36 N 0.03 0.47 0.00 4.55 3.57 -1.10 -0.39 116.94 124.07 3ag1 h PHE 36 Ca 0.30 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3ag1 h PHE 36 Cb 0.48 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3ag1 h PHE 36 CO -0.46 0.26 -0.26 0.45 -2.23 0.00 0.00 178.31 176.08 3ag1 h HIS 37 N 0.51 0.00 -0.03 0.41 3.86 -1.00 0.21 115.15 119.11 3ag1 h HIS 37 Ca 0.19 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3ag1 h HIS 37 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3ag1 h HIS 37 CO -0.08 0.26 -0.12 0.00 0.86 0.00 0.00 177.93 178.85 3ag1 h ARG 38 N 0.00 0.13 -0.15 2.45 3.08 -0.71 -1.75 114.38 117.43 3ag1 h ARG 38 Ca -0.00 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 59.98 3ag1 h ARG 38 Cb 1.09 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.09 3ag1 h ARG 38 CO 0.03 0.76 -0.50 0.00 -1.07 0.00 0.00 179.97 179.20 3ag1 h GLU 40 N -0.54 0.00 0.00 0.00 4.81 -0.54 -1.59 114.58 116.73 3ag1 h GLU 40 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3ag1 h GLU 40 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3ag1 h GLU 40 CO -0.44 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.01 3ag1 n LYS 41 N -4.13 0.00 -0.14 1.92 4.81 -0.66 -1.67 118.16 118.28 3ag1 n LYS 41 Ca 0.02 0.36 -0.02 0.00 -0.87 0.00 0.00 58.31 57.80 3ag1 n LYS 41 Cb 0.31 -1.18 -0.01 0.00 0.02 0.00 0.00 35.03 34.17 3ag1 n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ag1 n ALA 42 N -1.58 -0.15 0.07 3.14 0.00 -0.97 -0.84 120.51 120.18 3ag1 n ALA 42 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 3ag1 n ALA 42 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 3ag1 n ALA 42 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ag1 h MET 43 N 0.00 -0.16 -0.85 0.00 2.86 -1.38 -2.20 114.93 113.20 3ag1 h MET 43 Ca 0.08 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.90 3ag1 h MET 43 Cb 0.17 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.76 3ag1 h MET 43 CO -0.33 -0.11 0.41 1.15 1.06 0.00 0.00 176.91 179.09 3ag1 h THR 44 N -0.18 0.65 0.00 2.22 2.02 -0.93 -2.52 112.91 114.17 3ag1 h THR 44 Ca -0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3ag1 h THR 44 Cb 0.13 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3ag1 h THR 44 CO 0.03 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3ag1 n ALA 45 N -2.45 0.00 0.00 6.16 0.00 -0.02 -3.88 120.51 120.32 3ag1 n ALA 45 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3ag1 n ALA 45 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.30 0.00 -2.57 0.00 4.76 -0.83 -4.80 118.16 114.42 3ag1 n LYS 46 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 3ag1 n LYS 46 Cb 0.00 -0.91 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 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 0.03 -5.27 0.00 0.72 0.00 -0.96 -5.01 105.19 94.70 3ag1 n GLY 47 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 46.02 47.49 3ag1 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 48 N 1.78 0.66 3.43 -0.02 0.00 -1.17 -5.02 105.19 104.85 3ag1 n GLY 48 Ca -0.34 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3ag1 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag1 s ASP 49 N -0.80 5.88 0.58 1.61 3.68 -1.26 -4.69 116.67 121.67 3ag1 s ASP 49 Ca 0.00 -0.84 0.31 0.00 2.13 0.00 0.00 52.55 54.15 3ag1 s ASP 49 Cb 0.00 -2.08 1.38 0.00 -1.45 0.00 0.00 42.92 40.77 3ag1 s ASP 49 CO 0.00 -0.37 1.73 0.58 0.13 0.00 0.00 175.17 177.24 3ag1 h VAL 50 N 5.72 0.28 0.00 1.11 2.07 -1.94 -1.95 116.25 121.54 3ag1 h VAL 50 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3ag1 h VAL 50 Cb 1.12 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3ag1 h VAL 50 CO 0.68 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.73 3ag1 n SER 51 N -3.74 0.00 0.23 0.57 3.41 -1.26 -0.58 113.62 112.25 3ag1 n SER 51 Ca 0.18 0.11 0.15 0.00 -0.26 0.00 0.00 58.87 59.05 3ag1 n SER 51 Cb 1.07 -0.30 0.46 0.00 -0.26 0.00 0.00 64.21 65.19 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 0.00 -0.01 -3.33 -1.51 -1.79 -3.23 116.25 106.38 3ag1 h VAL 52 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3ag1 h VAL 52 Cb 0.13 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3ag1 h VAL 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3ag1 h GLU 54 N 0.96 0.28 -0.76 0.00 4.57 -1.68 -2.81 114.58 115.14 3ag1 h GLU 54 Ca 0.00 -0.10 0.14 0.00 -1.18 0.00 0.00 59.36 58.22 3ag1 h GLU 54 Cb 0.20 -0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 28.63 3ag1 h GLU 54 CO 0.00 0.55 -0.26 2.35 -1.18 0.00 0.00 179.01 180.46 3ag1 h TRP 55 N -0.01 -0.66 -0.89 0.92 2.91 -1.86 -0.73 115.95 115.63 3ag1 h TRP 55 Ca 0.04 0.08 0.05 0.00 1.13 0.00 0.00 58.89 60.19 3ag1 h TRP 55 Cb 0.43 0.41 -0.06 0.00 -0.51 0.00 0.00 29.16 29.43 3ag1 h TRP 55 CO 0.05 -0.36 0.56 1.88 -1.03 0.00 0.00 178.44 179.54 3ag1 h TYR 56 N -0.05 1.05 -0.54 2.65 0.99 -1.83 -1.35 116.97 117.89 3ag1 h TYR 56 Ca 0.33 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 61.00 3ag1 h TYR 56 Cb 0.58 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 3ag1 h TYR 56 CO -0.67 0.56 -0.04 -0.09 -0.00 0.00 0.00 178.16 177.92 3ag1 h ARG 57 N 1.05 0.95 -0.01 4.88 2.43 -1.14 -0.14 114.38 122.41 3ag1 h ARG 57 Ca 0.38 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3ag1 h ARG 57 Cb 0.11 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3ag1 h ARG 57 CO -0.15 0.96 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 3ag1 h ARG 58 N 0.86 0.01 -0.29 0.20 2.47 -0.54 -1.68 114.38 115.42 3ag1 h ARG 58 Ca 0.15 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3ag1 h ARG 58 Cb 0.57 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 3ag1 h ARG 58 CO 0.03 0.19 0.18 0.28 0.56 0.00 0.00 179.97 181.22 3ag1 h VAL 59 N -0.17 1.09 -0.03 2.04 2.07 -1.07 -1.60 116.25 118.57 3ag1 h VAL 59 Ca 0.00 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3ag1 h VAL 59 Cb 0.19 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3ag1 h VAL 59 CO -0.00 0.09 -0.54 0.10 0.02 0.00 0.00 177.57 177.24 3ag1 h TYR 60 N 0.38 0.10 -0.71 1.57 -0.00 -1.05 -2.28 116.97 114.98 3ag1 h TYR 60 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 58.73 58.75 3ag1 h TYR 60 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 36.73 36.66 3ag1 h TYR 60 CO -0.05 0.60 0.25 0.87 -0.00 0.00 0.00 178.16 179.83 3ag1 h LYS 61 N 0.06 1.09 -0.58 0.10 1.79 -0.84 -1.00 116.57 117.19 3ag1 h LYS 61 Ca -0.00 -0.22 0.03 0.00 -2.18 0.00 0.00 60.65 58.28 3ag1 h LYS 61 Cb 0.97 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 3ag1 h LYS 61 CO 0.07 0.92 0.34 0.77 -1.08 0.00 0.00 179.45 180.48 3ag1 h SER 62 N 1.04 0.55 0.13 0.86 0.02 -1.15 -3.36 113.55 111.64 3ag1 h SER 62 Ca 0.23 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.84 3ag1 h SER 62 Cb 0.26 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3ag1 h SER 62 CO -0.01 0.38 -2.21 0.18 -1.14 0.00 0.00 176.83 174.03 3ag1 n LEU 63 N -4.77 0.77 -4.72 5.07 4.77 -0.87 -4.93 117.00 112.32 3ag1 n LEU 63 Ca 0.05 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.74 3ag1 n LEU 63 Cb 0.09 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3ag1 n LEU 63 CO 0.32 0.55 0.27 0.00 -1.33 0.00 0.00 177.39 177.20 3ag1 n PRO 65 N 3.66 1.54 -0.15 0.00 -0.02 -1.26 -4.88 135.00 133.88 3ag1 n PRO 65 Ca -0.05 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 61.95 3ag1 n PRO 65 Cb 0.51 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.82 0.69 0.00 4.25 2.04 -1.95 -1.65 117.51 122.71 3ag1 h ILE 66 Ca -0.44 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3ag1 h ILE 66 Cb 1.32 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3ag1 h ILE 66 CO 0.59 0.03 -0.07 0.77 0.00 0.00 0.00 178.15 179.47 3ag1 h SER 67 N 0.17 0.00 -0.04 1.72 4.64 -1.99 0.84 113.55 118.88 3ag1 h SER 67 Ca 0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 3ag1 h SER 67 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ag1 h SER 67 CO -0.35 0.07 -0.17 -0.50 -0.87 0.00 0.00 176.83 175.01 3ag1 h TRP 68 N 0.00 0.26 -0.73 4.77 4.06 -1.68 -2.16 115.95 120.46 3ag1 h TRP 68 Ca -0.00 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.81 3ag1 h TRP 68 Cb 0.15 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 3ag1 h TRP 68 CO 0.00 0.80 0.35 0.28 -3.56 0.00 0.00 178.44 176.31 3ag1 h VAL 69 N -0.36 1.24 -0.25 1.49 2.07 -1.04 0.17 116.25 119.57 3ag1 h VAL 69 Ca -0.01 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 3ag1 h VAL 69 Cb 0.82 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ag1 h VAL 69 CO 0.04 0.29 -0.06 -1.28 0.02 0.00 0.00 177.57 176.57 3ag1 h SER 70 N 1.03 0.49 -0.29 0.57 0.87 -0.86 0.47 113.55 115.84 3ag1 h SER 70 Ca 0.25 -0.36 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3ag1 h SER 70 Cb 0.13 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3ag1 h SER 70 CO -0.03 0.74 -0.03 0.74 -0.53 0.00 0.00 176.83 177.73 3ag1 h THR 71 N 0.24 0.76 -0.51 2.23 2.02 -1.23 -2.10 112.91 114.32 3ag1 h THR 71 Ca 0.06 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3ag1 h THR 71 Cb 0.52 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3ag1 h THR 71 CO 0.02 0.01 0.21 -0.50 0.37 0.00 0.00 175.52 175.64 3ag1 h TRP 72 N 0.05 0.76 -0.71 3.16 6.55 -0.74 -1.09 115.95 123.94 3ag1 h TRP 72 Ca 0.14 -0.05 0.16 0.00 0.95 0.00 0.00 58.89 60.08 3ag1 h TRP 72 Cb 0.20 -0.23 -0.11 0.00 -0.86 0.00 0.00 29.16 28.15 3ag1 h TRP 72 CO -0.24 0.62 0.12 -0.44 -1.05 0.00 0.00 178.44 177.45 3ag1 h ASP 73 N 0.68 -0.10 -0.32 -3.49 3.45 -0.80 0.13 116.42 115.96 3ag1 h ASP 73 Ca 0.17 0.15 -0.12 0.00 0.43 0.00 0.00 57.03 57.66 3ag1 h ASP 73 Cb 0.18 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 3ag1 h ASP 73 CO -0.02 -0.08 -0.23 0.44 -1.57 0.00 0.00 179.24 177.79 3ag1 h ASP 74 N 0.21 0.83 -0.44 6.45 3.32 -1.02 -1.13 116.42 124.65 3ag1 h ASP 74 Ca 0.40 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3ag1 h ASP 74 Cb 0.67 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3ag1 h ASP 74 CO -0.54 1.03 -0.23 0.03 -1.72 0.00 0.00 179.24 177.82 3ag1 h ARG 75 N 0.71 0.95 -0.48 3.56 3.08 -0.67 0.02 114.38 121.55 3ag1 h ARG 75 Ca 0.09 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 59.79 3ag1 h ARG 75 Cb 0.76 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 3ag1 h ARG 75 CO 0.06 1.07 0.19 0.00 -1.07 0.00 0.00 179.97 180.23 3ag1 h ARG 76 N 0.82 0.38 -0.44 0.04 3.08 -0.20 0.21 114.38 118.26 3ag1 h ARG 76 Ca 0.11 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3ag1 h ARG 76 Cb 0.79 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3ag1 h ARG 76 CO 0.07 0.25 0.24 0.00 -1.07 0.00 0.00 179.97 179.45 3ag1 h ALA 77 N 1.30 1.59 0.00 0.04 0.00 -0.94 -1.76 119.26 119.49 3ag1 h ALA 77 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ag1 h ALA 77 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ag1 h ALA 77 CO -0.21 0.35 -0.47 1.49 0.00 0.00 0.00 179.25 180.41 3ag1 h GLU 78 N 0.61 0.00 0.00 0.00 4.81 -0.36 -3.48 114.58 116.17 3ag1 h GLU 78 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3ag1 h GLU 78 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ag1 h GLU 78 CO -0.03 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.66 3ag1 n GLY 79 N 1.19 0.46 0.42 1.92 0.00 0.60 -4.94 105.19 104.84 3ag1 n GLY 79 Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.91 1.52 -2.08 2.61 -2.24 -0.31 -5.00 114.28 105.87 3ag1 n THR 80 Ca 0.00 -1.50 -0.42 0.00 -2.27 0.00 0.00 64.05 59.85 3ag1 n THR 80 Cb 0.00 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.88 2.19 -0.83 4.78 5.36 -1.11 -4.90 117.98 121.60 3ag1 s PHE 81 Ca 0.24 0.36 0.27 0.00 -0.96 0.00 0.00 56.93 56.84 3ag1 s PHE 81 Cb 0.18 -3.84 0.84 0.00 -0.34 0.00 0.00 43.02 39.86 3ag1 s PHE 81 CO 0.07 -3.44 1.72 -0.35 -1.46 0.00 0.00 175.22 171.76 3ag1 n PRO 82 N 6.85 0.16 -2.04 10.12 -0.04 -1.26 -4.87 135.00 143.91 3ag1 n PRO 82 Ca 0.16 0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 3ag1 n PRO 82 Cb 0.43 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.36 1.66 -0.38 0.55 0.00 -1.26 -5.01 107.32 99.52 3ag1 s GLY 83 Ca 0.11 -0.15 -0.20 0.00 0.00 0.00 0.00 44.72 44.48 3ag1 s GLY 83 CO 0.61 0.10 0.62 1.25 0.00 0.00 0.00 173.10 175.67 3ag1 s LYS 84 N -5.03 3.53 0.00 2.90 2.20 -1.26 -5.18 119.74 116.90 3ag1 s LYS 84 Ca 0.54 -0.13 0.08 0.00 -0.36 0.00 0.00 55.97 56.09 3ag1 s LYS 84 Cb -0.11 -3.86 0.06 0.00 -1.51 0.00 0.00 37.83 32.41 3ag1 s LYS 84 CO 0.51 -0.81 0.74 -0.89 -0.36 0.00 0.00 175.35 174.53