#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf6 n ASN 4 N 0.00 0.36 -0.26 1.61 6.94 -1.26 -4.79 115.26 117.87 1nf6 n ASN 4 Ca 0.00 -1.39 0.01 0.00 -0.02 0.00 0.00 54.58 53.18 1nf6 n ASN 4 Cb 0.00 -0.38 0.14 0.00 -2.36 0.00 0.00 39.78 37.18 1nf6 n ASN 4 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1nf6 h ARG 5 N 0.00 0.66 -0.30 -3.83 2.47 -2.00 -1.88 114.38 109.50 1nf6 h ARG 5 Ca -0.18 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.32 1nf6 h ARG 5 Cb 0.56 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1nf6 h ARG 5 CO 0.15 0.44 -0.54 0.93 0.56 0.00 0.00 179.97 181.51 1nf6 h GLU 6 N 0.68 0.89 -0.34 0.04 3.07 -2.00 -2.86 114.58 114.06 1nf6 h GLU 6 Ca 0.36 -0.56 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 1nf6 h GLU 6 Cb 0.33 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1nf6 h GLU 6 CO -0.25 1.20 -0.00 0.38 -1.40 0.00 0.00 179.01 178.94 1nf6 h ASP 7 N 0.68 0.49 0.17 1.42 -0.00 -1.83 -1.73 116.42 115.63 1nf6 h ASP 7 Ca 0.02 -0.09 -0.20 0.00 -0.00 0.00 0.00 57.03 56.75 1nf6 h ASP 7 Cb 1.15 -0.13 0.00 0.00 -0.00 0.00 0.00 39.33 40.35 1nf6 h ASP 7 CO 0.12 0.57 -0.79 0.03 -0.00 0.00 0.00 179.24 179.17 1nf6 h ARG 8 N 0.51 0.51 -0.40 4.15 3.08 -1.26 -1.68 114.38 119.28 1nf6 h ARG 8 Ca 0.11 -0.44 -0.13 0.00 0.07 0.00 0.00 59.98 59.59 1nf6 h ARG 8 Cb 0.33 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1nf6 h ARG 8 CO 0.01 1.07 -0.28 0.87 -1.07 0.00 0.00 179.97 180.57 1nf6 h LYS 9 N 0.33 0.85 -0.44 0.04 1.57 -1.39 -2.68 116.57 114.85 1nf6 h LYS 9 Ca -0.05 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 1nf6 h LYS 9 Cb 1.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1nf6 h LYS 9 CO 0.14 1.03 -0.13 0.00 -0.57 0.00 0.00 179.45 179.92 1nf6 h ALA 10 N 0.95 0.61 -0.68 3.86 0.00 -1.21 0.22 119.26 123.01 1nf6 h ALA 10 Ca 0.09 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1nf6 h ALA 10 Cb 0.83 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1nf6 h ALA 10 CO 0.07 0.52 0.18 0.87 0.00 0.00 0.00 179.25 180.89 1nf6 h LYS 11 N 0.70 1.07 -0.20 0.00 1.57 -1.34 -1.57 116.57 116.80 1nf6 h LYS 11 Ca 0.11 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1nf6 h LYS 11 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1nf6 h LYS 11 CO 0.05 0.94 -0.04 0.28 -0.57 0.00 0.00 179.45 180.10 1nf6 h VAL 12 N 1.02 1.28 -0.21 0.50 2.07 -1.29 -2.83 116.25 116.80 1nf6 h VAL 12 Ca 0.22 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1nf6 h VAL 12 Cb 0.34 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1nf6 h VAL 12 CO -0.00 0.31 0.15 0.40 0.02 0.00 0.00 177.57 178.44 1nf6 h ILE 13 N 0.12 0.93 0.17 4.57 2.04 -0.43 -1.16 117.51 123.74 1nf6 h ILE 13 Ca 0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1nf6 h ILE 13 Cb 0.49 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1nf6 h ILE 13 CO 0.02 0.01 -0.08 -0.08 0.00 0.00 0.00 178.15 178.02 1nf6 h GLU 14 N 0.06 -0.22 -0.06 2.37 4.81 -1.04 -0.68 114.58 119.82 1nf6 h GLU 14 Ca 0.09 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1nf6 h GLU 14 Cb 0.30 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1nf6 h GLU 14 CO -0.01 0.04 -0.56 -0.39 -0.73 0.00 0.00 179.01 177.36 1nf6 h VAL 15 N -0.46 1.38 -0.72 0.32 -1.51 -1.34 -1.37 116.25 112.54 1nf6 h VAL 15 Ca -0.02 -1.88 -0.03 0.00 -1.23 0.00 0.00 66.70 63.53 1nf6 h VAL 15 Cb 0.36 1.95 -0.03 0.00 -2.13 0.00 0.00 31.29 31.43 1nf6 h VAL 15 CO 0.04 0.55 0.33 -0.07 -1.23 0.00 0.00 177.57 177.19 1nf6 h LEU 16 N 0.15 0.96 -0.79 4.19 3.38 -1.18 0.22 115.31 122.24 1nf6 h LEU 16 Ca -0.00 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1nf6 h LEU 16 Cb 1.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1nf6 h LEU 16 CO 0.08 0.84 -0.52 0.78 0.09 0.00 0.00 178.44 179.72 1nf6 h ASN 17 N 1.02 0.24 -0.41 -0.43 2.35 -0.90 0.32 115.58 117.77 1nf6 h ASN 17 Ca 0.25 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1nf6 h ASN 17 Cb 0.15 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1nf6 h ASN 17 CO -0.03 0.72 0.25 0.11 -1.65 0.00 0.00 177.43 176.82 1nf6 h LYS 18 N 0.17 0.56 -0.22 0.81 1.57 -0.57 -0.53 116.57 118.36 1nf6 h LYS 18 Ca 0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1nf6 h LYS 18 Cb 0.97 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1nf6 h LYS 18 CO 0.08 0.42 -0.15 0.00 -0.57 0.00 0.00 179.45 179.23 1nf6 h ALA 19 N 1.11 0.32 -0.92 3.86 0.00 -0.41 -2.96 119.26 120.26 1nf6 h ALA 19 Ca 0.15 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.88 1nf6 h ALA 19 Cb 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 1nf6 h ALA 19 CO -0.03 0.21 0.52 -0.09 0.00 0.00 0.00 179.25 179.86 1nf6 h ARG 20 N 0.19 0.72 -0.46 0.00 2.43 -0.80 -0.35 114.38 116.12 1nf6 h ARG 20 Ca 0.04 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1nf6 h ARG 20 Cb 0.67 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1nf6 h ARG 20 CO 0.04 0.48 0.05 0.00 -1.51 0.00 0.00 179.97 179.03 1nf6 h ALA 21 N 1.57 1.23 -0.63 2.80 0.00 -0.96 -0.61 119.26 122.66 1nf6 h ALA 21 Ca 0.49 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1nf6 h ALA 21 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1nf6 h ALA 21 CO -0.34 0.52 0.06 0.52 0.00 0.00 0.00 179.25 180.01 1nf6 h MET 22 N 0.68 1.07 -0.54 0.00 2.86 -0.95 -0.39 114.93 117.66 1nf6 h MET 22 Ca 0.14 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 1nf6 h MET 22 Cb 0.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1nf6 h MET 22 CO 0.01 1.01 -0.10 0.93 1.06 0.00 0.00 176.91 179.82 1nf6 h GLU 23 N 0.98 1.01 -0.44 1.72 4.39 -0.74 -0.81 114.58 120.68 1nf6 h GLU 23 Ca 0.19 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1nf6 h GLU 23 Cb 0.49 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1nf6 h GLU 23 CO 0.02 1.04 0.17 -0.07 -1.16 0.00 0.00 179.01 179.01 1nf6 h LEU 24 N 0.90 0.57 0.04 1.33 3.38 -0.94 -0.01 115.31 120.58 1nf6 h LEU 24 Ca 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nf6 h LEU 24 Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nf6 h LEU 24 CO 0.05 0.53 -0.02 -0.74 0.09 0.00 0.00 178.44 178.34 1nf6 h HIS 25 N 0.63 -0.04 -0.72 1.13 2.76 -1.08 -3.04 115.15 114.78 1nf6 h HIS 25 Ca 0.15 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.41 1nf6 h HIS 25 Cb 0.14 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.05 1nf6 h HIS 25 CO 0.01 0.32 0.38 0.00 -1.30 0.00 0.00 177.93 177.34 1nf6 h ALA 26 N 0.52 0.99 -0.04 5.26 0.00 -0.70 0.17 119.26 125.46 1nf6 h ALA 26 Ca -0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nf6 h ALA 26 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1nf6 h ALA 26 CO 0.01 -0.00 -0.12 0.82 0.00 0.00 0.00 179.25 179.95 1nf6 h ILE 27 N 0.65 0.68 -0.48 0.00 2.04 -1.03 0.30 117.51 119.67 1nf6 h ILE 27 Ca 0.35 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.15 1nf6 h ILE 27 Cb 0.33 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1nf6 h ILE 27 CO -0.25 0.00 0.06 0.45 0.00 0.00 0.00 178.15 178.41 1nf6 h HIS 28 N -0.19 0.78 -0.05 1.37 3.86 -1.32 -1.38 115.15 118.22 1nf6 h HIS 28 Ca 0.06 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1nf6 h HIS 28 Cb 0.27 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1nf6 h HIS 28 CO -0.20 0.70 -0.24 0.37 0.86 0.00 0.00 177.93 179.41 1nf6 h GLN 29 N 0.71 0.26 -0.13 2.45 5.75 -0.13 -1.52 115.11 122.51 1nf6 h GLN 29 Ca 0.15 -0.20 -0.15 0.00 -0.15 0.00 0.00 58.65 58.30 1nf6 h GLN 29 Cb 0.35 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1nf6 h GLN 29 CO 0.01 0.85 -0.54 1.88 -2.65 0.00 0.00 178.83 178.37 1nf6 h TYR 30 N -0.27 0.47 -0.06 3.99 0.99 -0.46 -2.56 116.97 119.08 1nf6 h TYR 30 Ca -0.01 -0.17 -0.13 0.00 2.00 0.00 0.00 58.73 60.42 1nf6 h TYR 30 Cb 0.89 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.51 1nf6 h TYR 30 CO 0.13 0.84 -0.56 0.52 -0.00 0.00 0.00 178.16 179.09 1nf6 h MET 31 N 0.29 0.17 -0.73 4.88 2.86 -1.29 -1.84 114.93 119.27 1nf6 h MET 31 Ca 0.01 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1nf6 h MET 31 Cb 1.05 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 1nf6 h MET 31 CO 0.09 0.68 0.45 -0.97 1.06 0.00 0.00 176.91 178.23 1nf6 h ASN 32 N 0.13 0.87 0.29 1.22 -0.73 -0.98 -1.93 115.58 114.45 1nf6 h ASN 32 Ca -0.00 -0.05 -0.15 0.00 1.87 0.00 0.00 56.30 57.97 1nf6 h ASN 32 Cb 1.02 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 1nf6 h ASN 32 CO 0.08 0.66 -0.61 1.56 -0.37 0.00 0.00 177.43 178.76 1nf6 h GLN 33 N 1.00 0.31 -0.58 6.67 4.20 -1.36 -2.98 115.11 122.36 1nf6 h GLN 33 Ca 0.26 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1nf6 h GLN 33 Cb -0.06 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1nf6 h GLN 33 CO -0.05 0.82 0.36 1.25 -0.67 0.00 0.00 178.83 180.53 1nf6 h HIS 34 N 0.23 0.76 -0.44 2.96 -0.00 -0.91 0.78 115.15 118.52 1nf6 h HIS 34 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1nf6 h HIS 34 Cb 1.12 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 1nf6 h HIS 34 CO 0.03 0.52 0.29 1.88 -0.00 0.00 0.00 177.93 180.65 1nf6 h TYR 35 N 0.79 0.49 -0.02 5.26 0.99 -1.22 0.17 116.97 123.42 1nf6 h TYR 35 Ca 0.21 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.84 1nf6 h TYR 35 Cb -0.03 -0.17 0.01 0.00 1.00 0.00 0.00 36.73 37.54 1nf6 h TYR 35 CO -0.02 0.29 -0.43 0.77 -0.00 0.00 0.00 178.16 178.77 1nf6 h SER 36 N 0.52 0.42 -0.79 3.88 0.02 -1.27 -1.59 113.55 114.73 1nf6 h SER 36 Ca 0.17 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1nf6 h SER 36 Cb 0.06 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1nf6 h SER 36 CO -0.04 1.09 0.50 -0.07 -1.14 0.00 0.00 176.83 177.17 1nf6 h LEU 37 N -0.21 0.94 -0.50 5.07 3.38 -0.44 0.39 115.31 123.93 1nf6 h LEU 37 Ca -0.05 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1nf6 h LEU 37 Cb 1.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1nf6 h LEU 37 CO 0.09 0.71 0.06 -0.78 0.09 0.00 0.00 178.44 178.60 1nf6 h ASP 38 N 1.08 0.82 -0.02 -0.43 3.58 -0.75 -0.12 116.42 120.58 1nf6 h ASP 38 Ca 0.29 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1nf6 h ASP 38 Cb -0.07 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 1nf6 h ASP 38 CO -0.06 0.89 -0.10 -0.78 -2.88 0.00 0.00 179.24 176.31 1nf6 h ASP 39 N 0.72 0.27 0.73 2.28 3.58 -0.56 -1.73 116.42 121.72 1nf6 h ASP 39 Ca 0.15 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nf6 h ASP 39 Cb 0.43 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1nf6 h ASP 39 CO 0.01 0.40 -0.09 0.23 -2.88 0.00 0.00 179.24 176.92 1nf6 n MET 40 N -4.28 0.21 -3.11 0.28 2.81 0.13 -4.92 117.12 108.24 1nf6 n MET 40 Ca -0.00 -0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.71 1nf6 n MET 40 Cb 0.26 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1nf6 n MET 40 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1nf6 n ASP 41 N -1.36 -4.34 -3.33 7.83 2.03 -0.65 -4.94 116.55 111.79 1nf6 n ASP 41 Ca 0.10 -0.31 -0.38 0.00 0.52 0.00 0.00 54.79 54.72 1nf6 n ASP 41 Cb 0.31 -3.10 0.01 0.00 -0.72 0.00 0.00 41.12 37.61 1nf6 n ASP 41 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1nf6 n TYR 42 N -3.86 3.07 -0.21 -0.67 0.53 -0.14 -1.77 117.16 114.12 1nf6 n TYR 42 Ca -0.01 -2.81 -0.03 0.00 -1.02 0.00 0.00 57.90 54.04 1nf6 n TYR 42 Cb 0.54 -1.01 -0.01 0.00 -1.03 0.00 0.00 39.34 37.83 1nf6 n TYR 42 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nf6 n GLY 43 N -0.20 -1.21 0.28 2.72 0.00 -1.25 -0.66 105.19 104.88 1nf6 n GLY 43 Ca 0.45 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 47.02 1nf6 n GLY 43 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nf6 h GLU 44 N 0.00 0.81 -0.28 1.61 4.81 -1.76 0.98 114.58 120.75 1nf6 h GLU 44 Ca 0.15 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1nf6 h GLU 44 Cb 0.28 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1nf6 h GLU 44 CO -0.52 0.86 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.48 1nf6 h LEU 45 N 0.74 0.55 -0.28 1.64 3.38 -1.24 -2.55 115.31 117.55 1nf6 h LEU 45 Ca 0.13 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1nf6 h LEU 45 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1nf6 h LEU 45 CO 0.03 0.79 0.15 0.00 0.09 0.00 0.00 178.44 179.51 1nf6 h ALA 46 N 0.77 0.34 0.53 1.53 0.00 -0.62 -1.88 119.26 119.93 1nf6 h ALA 46 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nf6 h ALA 46 Cb 0.56 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nf6 h ALA 46 CO 0.03 -0.23 -0.25 0.00 0.00 0.00 0.00 179.25 178.80 1nf6 h ALA 47 N 1.13 -0.71 -0.12 0.00 0.00 -0.83 -2.26 119.26 116.48 1nf6 h ALA 47 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nf6 h ALA 47 Cb 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nf6 h ALA 47 CO -0.06 -0.90 0.05 -0.91 0.00 0.00 0.00 179.25 177.43 1nf6 h ASN 48 N -0.72 0.14 -0.64 0.00 2.35 -1.43 -0.73 115.58 114.55 1nf6 h ASN 48 Ca -0.07 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1nf6 h ASN 48 Cb 0.55 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 1nf6 h ASN 48 CO 0.12 0.13 0.09 -0.03 -1.65 0.00 0.00 177.43 176.09 1nf6 h MET 49 N 0.16 1.08 -0.33 0.81 4.05 -1.08 -1.38 114.93 118.24 1nf6 h MET 49 Ca 0.04 -0.29 -0.13 0.00 -0.28 0.00 0.00 59.70 59.04 1nf6 h MET 49 Cb 0.03 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1nf6 h MET 49 CO -0.01 0.99 -0.31 -0.22 0.23 0.00 0.00 176.91 177.60 1nf6 h LYS 50 N 1.01 0.72 -0.14 0.39 3.64 -0.67 -1.64 116.57 119.87 1nf6 h LYS 50 Ca 0.20 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1nf6 h LYS 50 Cb 0.45 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1nf6 h LYS 50 CO 0.01 0.93 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.74 1nf6 h LEU 51 N 0.61 0.28 -0.19 5.20 3.38 -0.95 -1.33 115.31 122.32 1nf6 h LEU 51 Ca 0.07 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 1nf6 h LEU 51 Cb 0.83 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1nf6 h LEU 51 CO 0.07 0.60 -0.87 0.40 0.09 0.00 0.00 178.44 178.73 1nf6 h ILE 52 N 0.25 1.34 -0.94 1.22 2.04 -1.03 -2.42 117.51 117.96 1nf6 h ILE 52 Ca 0.03 -2.20 0.08 0.00 1.00 0.00 0.00 64.86 63.77 1nf6 h ILE 52 Cb 0.69 2.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.92 1nf6 h ILE 52 CO 0.05 0.67 0.59 0.00 0.00 0.00 0.00 178.15 179.46 1nf6 h ALA 53 N 0.67 1.33 -0.11 1.87 0.00 -1.05 -1.54 119.26 120.43 1nf6 h ALA 53 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1nf6 h ALA 53 Cb 1.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1nf6 h ALA 53 CO 0.16 0.29 -0.48 0.82 0.00 0.00 0.00 179.25 180.04 1nf6 h ILE 54 N 1.01 1.33 -0.55 0.00 2.04 -1.11 0.70 117.51 120.94 1nf6 h ILE 54 Ca 0.43 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.64 1nf6 h ILE 54 Cb 0.28 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1nf6 h ILE 54 CO -0.21 0.51 0.32 0.44 0.00 0.00 0.00 178.15 179.20 1nf6 h ASP 55 N 0.23 0.50 0.06 1.72 3.32 -0.91 -1.47 116.42 119.87 1nf6 h ASP 55 Ca 0.01 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1nf6 h ASP 55 Cb 0.93 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1nf6 h ASP 55 CO 0.08 0.35 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.39 1nf6 h GLU 56 N 0.62 0.28 -0.07 3.56 4.39 -0.59 -0.87 114.58 121.91 1nf6 h GLU 56 Ca 0.23 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1nf6 h GLU 56 Cb 0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1nf6 h GLU 56 CO -0.12 0.50 0.03 0.52 -1.16 0.00 0.00 179.01 178.78 1nf6 h MET 57 N 0.26 0.07 -0.70 2.33 2.86 -0.24 0.00 114.93 119.51 1nf6 h MET 57 Ca 0.04 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1nf6 h MET 57 Cb 0.54 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.11 1nf6 h MET 57 CO 0.04 0.04 0.33 -0.09 1.06 0.00 0.00 176.91 178.30 1nf6 h ARG 58 N 0.07 0.55 0.32 1.72 2.43 -0.82 0.09 114.38 118.74 1nf6 h ARG 58 Ca 0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1nf6 h ARG 58 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1nf6 h ARG 58 CO -0.02 0.36 -0.29 0.45 -1.51 0.00 0.00 179.97 178.96 1nf6 h HIS 59 N 0.57 -0.77 -0.90 2.20 3.86 -0.80 0.46 115.15 119.77 1nf6 h HIS 59 Ca 0.35 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.71 1nf6 h HIS 59 Cb 0.38 0.30 -0.07 0.00 1.06 0.00 0.00 27.41 29.08 1nf6 h HIS 59 CO -0.12 -0.42 0.58 0.00 0.86 0.00 0.00 177.93 178.83 1nf6 h ALA 60 N -0.06 1.84 -0.33 2.45 0.00 -0.49 0.19 119.26 122.86 1nf6 h ALA 60 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1nf6 h ALA 60 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nf6 h ALA 60 CO -0.04 -0.09 -0.31 1.49 0.00 0.00 0.00 179.25 180.31 1nf6 h GLU 61 N 0.69 0.78 -0.35 0.00 4.81 -0.45 -2.27 114.58 117.80 1nf6 h GLU 61 Ca 0.46 -0.41 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1nf6 h GLU 61 Cb 0.74 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1nf6 h GLU 61 CO -0.21 1.04 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.78 1nf6 h ASN 62 N 0.56 0.96 -0.22 1.04 2.35 0.14 -2.38 115.58 118.02 1nf6 h ASN 62 Ca 0.05 -0.48 0.02 0.00 -0.55 0.00 0.00 56.30 55.34 1nf6 h ASN 62 Cb 0.88 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 1nf6 h ASN 62 CO 0.08 1.25 0.08 -0.26 -1.65 0.00 0.00 177.43 176.93 1nf6 h PHE 63 N 0.69 0.14 -0.53 1.19 0.05 -0.71 -2.32 116.94 115.45 1nf6 h PHE 63 Ca 0.05 0.01 0.10 0.00 3.82 0.00 0.00 57.97 61.95 1nf6 h PHE 63 Cb 1.01 -0.03 -0.09 0.00 2.00 0.00 0.00 35.95 38.84 1nf6 h PHE 63 CO 0.07 0.07 0.00 0.00 -0.18 0.00 0.00 178.31 178.27 1nf6 h ALA 64 N 1.13 0.50 -0.54 2.45 0.00 -1.29 -0.37 119.26 121.15 1nf6 h ALA 64 Ca 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nf6 h ALA 64 Cb 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1nf6 h ALA 64 CO -0.09 -0.39 0.21 0.93 0.00 0.00 0.00 179.25 179.91 1nf6 h GLU 65 N 0.12 0.81 -0.73 0.00 5.08 -1.16 -0.67 114.58 118.02 1nf6 h GLU 65 Ca 0.27 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1nf6 h GLU 65 Cb 0.41 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1nf6 h GLU 65 CO -0.44 0.71 0.47 -0.09 -1.00 0.00 0.00 179.01 178.66 1nf6 h ARG 66 N 0.73 0.98 -0.59 2.33 9.65 -0.97 -1.23 114.38 125.28 1nf6 h ARG 66 Ca 0.18 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1nf6 h ARG 66 Cb 0.21 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1nf6 h ARG 66 CO -0.01 0.67 0.34 0.82 2.80 0.00 0.00 179.97 184.58 1nf6 h ILE 67 N 0.99 1.18 -0.96 1.20 2.04 -0.33 -1.99 117.51 119.65 1nf6 h ILE 67 Ca 0.27 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1nf6 h ILE 67 Cb -0.08 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1nf6 h ILE 67 CO -0.05 0.19 0.62 0.11 0.00 0.00 0.00 178.15 179.02 1nf6 h LYS 68 N 0.79 1.27 0.00 2.37 1.79 -0.77 -0.52 116.57 121.50 1nf6 h LYS 68 Ca 0.21 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1nf6 h LYS 68 Cb 0.02 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 30.38 1nf6 h LYS 68 CO -0.04 0.85 -0.06 0.93 -1.08 0.00 0.00 179.45 180.06 1nf6 h GLU 69 N 1.30 0.00 -0.01 3.15 5.08 -0.52 -1.74 114.58 121.85 1nf6 h GLU 69 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1nf6 h GLU 69 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1nf6 h GLU 69 CO -0.07 0.06 -0.28 1.28 -1.00 0.00 0.00 179.01 178.99 1nf6 n LEU 70 N -3.68 1.34 0.00 1.33 4.77 -0.38 -4.94 117.00 115.42 1nf6 n LEU 70 Ca -0.02 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1nf6 n LEU 70 Cb 0.16 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nf6 n LEU 70 CO 0.28 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1nf6 n GLY 71 N 1.35 0.68 3.93 -0.72 0.00 -0.65 -4.89 105.19 104.89 1nf6 n GLY 71 Ca 0.12 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1nf6 n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nf6 s GLY 72 N -2.44 2.09 -0.21 -0.02 0.00 -0.34 -4.99 107.32 101.40 1nf6 s GLY 72 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 1nf6 s GLY 72 CO 0.00 -1.74 -0.03 1.85 0.00 0.00 0.00 173.10 173.18 1nf6 s GLU 73 N -4.31 3.45 0.06 2.90 2.56 -1.26 -4.09 118.70 118.00 1nf6 s GLU 73 Ca 0.48 -0.60 -0.30 0.00 0.00 0.00 0.00 54.97 54.55 1nf6 s GLU 73 Cb -0.04 -3.02 -0.05 0.00 2.00 0.00 0.00 34.13 33.01 1nf6 s GLU 73 CO 0.29 -0.13 1.13 -2.14 -0.56 0.00 0.00 175.26 173.85 1nf6 s PRO 74 N 1.32 4.49 0.75 4.30 0.02 -1.26 -4.98 135.00 139.64 1nf6 s PRO 74 Ca 0.04 1.67 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 1nf6 s PRO 74 Cb -0.14 -3.37 0.05 0.00 0.02 0.00 0.00 34.50 31.06 1nf6 s PRO 74 CO -0.01 -0.15 1.19 -0.08 -0.33 0.00 0.00 177.00 177.61 1nf6 s THR 75 N 0.87 2.37 -0.71 0.99 -1.32 -1.26 -4.94 115.64 111.64 1nf6 s THR 75 Ca 0.56 0.17 0.06 0.00 -1.21 0.00 0.00 61.69 61.27 1nf6 s THR 75 Cb -0.27 -2.67 0.09 0.00 -1.51 0.00 0.00 72.50 68.14 1nf6 s THR 75 CO 0.30 -0.11 0.86 0.35 -2.21 0.00 0.00 174.62 173.80 1nf6 n THR 76 N -2.92 0.34 -3.84 5.08 -2.24 -1.26 -4.97 114.28 104.48 1nf6 n THR 76 Ca 0.13 -0.67 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 1nf6 n THR 76 Cb 0.51 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 1nf6 n THR 76 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nf6 s GLN 77 N -0.70 3.75 0.50 -0.78 1.11 -1.26 -5.08 119.66 117.19 1nf6 s GLN 77 Ca 0.10 -0.18 -0.08 0.00 0.01 0.00 0.00 55.36 55.20 1nf6 s GLN 77 Cb 0.06 -3.27 -0.05 0.00 -1.01 0.00 0.00 33.01 28.74 1nf6 s GLN 77 CO 0.08 0.57 0.85 -1.59 0.01 0.00 0.00 175.29 175.21 1nf6 s LYS 78 N -0.42 3.63 -0.39 2.91 -2.85 -1.26 -4.51 119.74 116.84 1nf6 s LYS 78 Ca 0.12 0.42 -0.15 0.00 -1.00 0.00 0.00 55.97 55.36 1nf6 s LYS 78 Cb -0.12 -2.30 0.01 0.00 -2.06 0.00 0.00 37.83 33.37 1nf6 s LYS 78 CO 0.01 -0.26 0.30 -2.00 0.10 0.00 0.00 175.35 173.50 1nf6 s GLU 79 N -4.61 3.12 0.00 1.78 2.56 -0.20 -4.92 118.70 116.42 1nf6 s GLU 79 Ca 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 54.97 54.58 1nf6 s GLU 79 Cb -0.10 -3.93 0.00 0.00 2.00 0.00 0.00 34.13 32.09 1nf6 s GLU 79 CO 0.43 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.87 1nf6 n GLY 80 N 5.14 -2.18 3.66 -1.50 0.00 -1.26 -4.74 105.19 104.30 1nf6 n GLY 80 Ca -0.11 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 1nf6 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nf6 s LYS 81 N -0.29 2.52 -0.09 1.61 -0.14 -1.26 -5.04 119.74 117.05 1nf6 s LYS 81 Ca 0.00 -0.81 -0.20 0.00 -1.36 0.00 0.00 55.97 53.60 1nf6 s LYS 81 Cb 0.00 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 1nf6 s LYS 81 CO 0.00 0.56 0.55 0.08 -0.76 0.00 0.00 175.35 175.78 1nf6 s VAL 82 N -1.21 5.11 -0.17 3.17 1.01 -1.26 -5.05 120.40 121.99 1nf6 s VAL 82 Ca 0.23 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.13 1nf6 s VAL 82 Cb -0.11 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1nf6 s VAL 82 CO 0.15 0.33 0.59 -0.69 0.00 0.00 0.00 175.10 175.48 1nf6 s VAL 83 N 0.51 5.07 0.35 2.92 1.01 -1.26 -5.08 120.40 123.92 1nf6 s VAL 83 Ca 0.30 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1nf6 s VAL 83 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1nf6 s VAL 83 CO 0.13 0.18 0.12 0.42 0.00 0.00 0.00 175.10 175.95 1nf6 s THR 84 N 1.49 2.88 -1.32 3.92 -4.23 -1.26 -4.73 115.64 112.38 1nf6 s THR 84 Ca 0.29 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1nf6 s THR 84 Cb -0.16 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1nf6 s THR 84 CO 0.11 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1nf6 n GLY 85 N -1.12 -0.07 3.78 3.99 0.00 -1.26 -4.99 105.19 105.51 1nf6 n GLY 85 Ca -0.03 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1nf6 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nf6 s GLN 86 N -4.61 4.44 0.75 1.61 -0.21 -1.26 -5.04 119.66 115.34 1nf6 s GLN 86 Ca 0.00 1.43 -0.11 0.00 0.02 0.00 0.00 55.36 56.70 1nf6 s GLN 86 Cb 0.00 -2.74 0.04 0.00 1.00 0.00 0.00 33.01 31.31 1nf6 s GLN 86 CO 0.00 0.12 1.08 0.00 -2.12 0.00 0.00 175.29 174.37 1nf6 s ALA 87 N -1.60 2.41 0.20 6.09 0.00 -1.26 -4.77 121.76 122.83 1nf6 s ALA 87 Ca 0.52 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1nf6 s ALA 87 Cb -0.21 -3.17 0.19 0.00 0.00 0.00 0.00 23.12 19.92 1nf6 s ALA 87 CO 0.26 -1.53 1.62 0.28 0.00 0.00 0.00 175.76 176.39 1nf6 h VAL 88 N -0.95 0.35 -0.61 0.00 2.07 -2.00 -1.04 116.25 114.07 1nf6 h VAL 88 Ca -0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1nf6 h VAL 88 Cb 1.23 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1nf6 h VAL 88 CO 0.56 0.00 0.33 -0.65 0.02 0.00 0.00 177.57 177.83 1nf6 h PRO 89 N -0.05 0.59 0.00 1.57 0.11 -1.98 -2.92 132.00 129.33 1nf6 h PRO 89 Ca 0.27 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 1nf6 h PRO 89 Cb 0.47 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1nf6 h PRO 89 CO -0.61 0.39 -0.43 0.28 -0.21 0.00 0.00 178.00 177.42 1nf6 h VAL 90 N 0.61 0.94 -0.25 3.15 2.07 -1.61 -2.71 116.25 118.45 1nf6 h VAL 90 Ca 0.28 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1nf6 h VAL 90 Cb 0.18 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1nf6 h VAL 90 CO -0.18 0.42 0.09 0.40 0.02 0.00 0.00 177.57 178.32 1nf6 h ILE 91 N 0.00 0.94 0.03 4.57 2.04 -1.04 -1.24 117.51 122.81 1nf6 h ILE 91 Ca -0.00 -0.07 -0.22 0.00 1.00 0.00 0.00 64.86 65.57 1nf6 h ILE 91 Cb 1.01 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1nf6 h ILE 91 CO 0.06 0.04 -1.00 1.88 0.00 0.00 0.00 178.15 179.12 1nf6 h TYR 92 N 0.20 0.15 -0.31 1.37 -1.99 -1.56 -1.17 116.97 113.66 1nf6 h TYR 92 Ca 0.11 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.62 1nf6 h TYR 92 Cb 0.07 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1nf6 h TYR 92 CO -0.12 1.03 -0.28 1.05 -0.00 0.00 0.00 178.16 179.83 1nf6 h GLU 93 N 0.03 0.74 -0.25 4.88 4.11 -1.44 -1.93 114.58 120.71 1nf6 h GLU 93 Ca -0.04 -0.38 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 1nf6 h GLU 93 Cb 1.72 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1nf6 h GLU 93 CO 0.14 1.00 -0.59 0.66 0.07 0.00 0.00 179.01 180.30 1nf6 h SER 94 N 0.50 0.92 -0.71 3.06 4.64 -1.21 -2.28 113.55 118.47 1nf6 h SER 94 Ca 0.05 -0.51 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1nf6 h SER 94 Cb 0.85 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1nf6 h SER 94 CO 0.07 1.30 0.21 0.44 -0.87 0.00 0.00 176.83 177.98 1nf6 h ASP 95 N 0.62 1.04 -0.49 4.97 5.19 -1.26 0.06 116.42 126.55 1nf6 h ASP 95 Ca 0.00 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1nf6 h ASP 95 Cb 1.19 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1nf6 h ASP 95 CO 0.13 0.98 0.32 0.00 -3.12 0.00 0.00 179.24 177.54 1nf6 h ALA 96 N 1.10 0.62 -0.76 3.45 0.00 -1.33 -1.04 119.26 121.31 1nf6 h ALA 96 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nf6 h ALA 96 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nf6 h ALA 96 CO -0.01 0.07 0.32 -0.44 0.00 0.00 0.00 179.25 179.20 1nf6 h ASP 97 N 0.66 1.02 -0.41 0.00 3.32 -0.90 -1.74 116.42 118.37 1nf6 h ASP 97 Ca 0.18 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1nf6 h ASP 97 Cb -0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1nf6 h ASP 97 CO -0.04 0.89 -0.24 -0.61 -1.72 0.00 0.00 179.24 177.52 1nf6 h GLN 98 N 1.09 0.93 -0.03 3.56 4.15 -0.71 -1.32 115.11 122.78 1nf6 h GLN 98 Ca 0.26 -0.40 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 1nf6 h GLN 98 Cb 0.18 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1nf6 h GLN 98 CO -0.02 1.06 -0.65 0.93 -1.93 0.00 0.00 178.83 178.22 1nf6 h GLU 99 N 0.80 0.14 -0.34 1.69 4.39 -0.95 -0.83 114.58 119.49 1nf6 h GLU 99 Ca 0.10 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1nf6 h GLU 99 Cb 0.81 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1nf6 h GLU 99 CO 0.07 0.74 -0.18 0.22 -1.16 0.00 0.00 179.01 178.70 1nf6 h ASP 100 N 0.10 0.75 -0.44 1.42 1.82 -1.24 -2.06 116.42 116.77 1nf6 h ASP 100 Ca -0.01 -0.41 -0.10 0.00 -0.39 0.00 0.00 57.03 56.12 1nf6 h ASP 100 Cb 1.16 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 1nf6 h ASP 100 CO 0.09 1.00 -0.09 0.00 -1.61 0.00 0.00 179.24 178.63 1nf6 h ALA 101 N 0.77 0.90 -0.55 -0.78 0.00 -1.00 -2.48 119.26 116.13 1nf6 h ALA 101 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1nf6 h ALA 101 Cb 0.72 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nf6 h ALA 101 CO 0.05 0.64 0.04 1.15 0.00 0.00 0.00 179.25 181.12 1nf6 h THR 102 N 0.81 1.26 -0.41 0.00 2.02 -1.16 0.73 112.91 116.15 1nf6 h THR 102 Ca 0.13 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1nf6 h THR 102 Cb 0.61 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1nf6 h THR 102 CO 0.04 0.38 0.25 0.40 0.37 0.00 0.00 175.52 176.96 1nf6 h ILE 103 N 0.82 1.07 -0.15 3.11 2.04 -1.25 0.16 117.51 123.31 1nf6 h ILE 103 Ca 0.16 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1nf6 h ILE 103 Cb 0.48 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1nf6 h ILE 103 CO 0.02 0.09 -0.10 -0.33 0.00 0.00 0.00 178.15 177.84 1nf6 h GLU 104 N 0.52 -0.09 0.04 2.37 4.39 -1.25 0.09 114.58 120.64 1nf6 h GLU 104 Ca 0.16 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1nf6 h GLU 104 Cb -0.02 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nf6 h GLU 104 CO -0.06 -0.06 -0.02 0.00 -1.16 0.00 0.00 179.01 177.71 1nf6 h ALA 105 N 1.03 -0.05 -0.70 3.43 0.00 -0.62 -2.86 119.26 119.49 1nf6 h ALA 105 Ca 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nf6 h ALA 105 Cb 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1nf6 h ALA 105 CO -0.21 -0.42 0.46 1.88 0.00 0.00 0.00 179.25 180.96 1nf6 h TYR 106 N -0.26 0.82 -0.47 0.00 -1.99 -0.57 0.14 116.97 114.65 1nf6 h TYR 106 Ca -0.01 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1nf6 h TYR 106 Cb 0.24 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.67 1nf6 h TYR 106 CO -0.00 0.48 0.21 0.77 -0.00 0.00 0.00 178.16 179.62 1nf6 h SER 107 N 0.85 0.59 0.46 3.88 0.02 -0.88 0.66 113.55 119.13 1nf6 h SER 107 Ca 0.28 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1nf6 h SER 107 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1nf6 h SER 107 CO -0.08 0.51 -0.68 1.56 -1.14 0.00 0.00 176.83 177.00 1nf6 h GLN 108 N 0.65 0.20 -0.08 3.45 4.20 -0.55 -2.72 115.11 120.26 1nf6 h GLN 108 Ca 0.16 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 1nf6 h GLN 108 Cb 0.09 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1nf6 h GLN 108 CO -0.02 0.81 -0.53 0.74 -0.67 0.00 0.00 178.83 179.16 1nf6 h PHE 109 N 0.14 0.28 -0.68 2.96 0.05 -0.47 -2.83 116.94 116.39 1nf6 h PHE 109 Ca -0.02 -0.09 -0.03 0.00 3.82 0.00 0.00 57.97 61.65 1nf6 h PHE 109 Cb 1.22 -0.05 -0.03 0.00 2.00 0.00 0.00 35.95 39.09 1nf6 h PHE 109 CO 0.02 0.71 0.31 1.25 -0.18 0.00 0.00 178.31 180.42 1nf6 h LEU 110 N 0.18 0.90 -0.84 1.54 6.46 -0.66 -1.02 115.31 121.86 1nf6 h LEU 110 Ca 0.00 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 1nf6 h LEU 110 Cb 0.99 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1nf6 h LEU 110 CO 0.08 0.80 0.38 0.11 -0.62 0.00 0.00 178.44 179.19 1nf6 h LYS 111 N 0.95 1.23 -0.84 1.25 1.57 -1.40 -0.78 116.57 118.54 1nf6 h LYS 111 Ca 0.23 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1nf6 h LYS 111 Cb 0.14 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1nf6 h LYS 111 CO -0.03 0.96 0.46 0.28 -0.57 0.00 0.00 179.45 180.55 1nf6 h VAL 112 N 1.21 1.25 -0.26 0.50 2.07 -1.18 0.40 116.25 120.24 1nf6 h VAL 112 Ca 0.29 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1nf6 h VAL 112 Cb 0.15 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1nf6 h VAL 112 CO -0.03 0.28 0.15 0.00 0.02 0.00 0.00 177.57 177.98 1nf6 h LYS 114 N 0.31 1.04 0.00 0.00 1.79 -0.66 -0.60 116.57 118.45 1nf6 h LYS 114 Ca 0.10 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1nf6 h LYS 114 Cb 0.01 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.43 1nf6 h LYS 114 CO -0.05 0.75 -0.50 0.93 -1.08 0.00 0.00 179.45 179.50 1nf6 h GLU 115 N 1.06 0.00 -0.15 3.15 5.08 -0.42 -2.04 114.58 121.26 1nf6 h GLU 115 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1nf6 h GLU 115 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nf6 h GLU 115 CO -0.05 0.50 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 1nf6 n GLN 116 N -3.80 1.54 -3.43 2.33 1.13 0.01 -4.92 117.38 110.23 1nf6 n GLN 116 Ca -0.01 -0.82 -0.18 0.00 -1.94 0.00 0.00 57.00 54.05 1nf6 n GLN 116 Cb 0.54 -1.33 0.09 0.00 0.11 0.00 0.00 30.24 29.64 1nf6 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf6 n GLY 117 N 1.01 -0.38 2.93 1.08 0.00 -0.77 -4.91 105.19 104.15 1nf6 n GLY 117 Ca 0.14 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1nf6 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nf6 s ASP 118 N -4.10 4.34 0.24 1.61 -1.08 -0.29 -4.96 116.67 112.43 1nf6 s ASP 118 Ca 0.13 -2.62 0.06 0.00 -0.52 0.00 0.00 52.55 49.60 1nf6 s ASP 118 Cb -0.06 -1.51 0.24 0.00 -1.46 0.00 0.00 42.92 40.14 1nf6 s ASP 118 CO 0.71 -0.29 1.55 0.40 0.52 0.00 0.00 175.17 178.06 1nf6 h ILE 119 N 5.86 1.42 -0.18 4.11 1.08 -1.94 -2.52 117.51 125.35 1nf6 h ILE 119 Ca -0.06 -2.12 -0.08 0.00 -0.39 0.00 0.00 64.86 62.20 1nf6 h ILE 119 Cb 0.94 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1nf6 h ILE 119 CO 0.60 0.62 -0.20 0.58 -0.69 0.00 0.00 178.15 179.05 1nf6 h VAL 120 N 0.11 1.34 -0.62 1.67 2.07 -1.97 -1.22 116.25 117.64 1nf6 h VAL 120 Ca -0.01 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1nf6 h VAL 120 Cb 1.16 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1nf6 h VAL 120 CO 0.10 0.42 0.08 0.74 0.02 0.00 0.00 177.57 178.93 1nf6 h THR 121 N 0.10 1.26 -0.79 2.57 2.02 -1.97 -2.34 112.91 113.75 1nf6 h THR 121 Ca 0.02 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.21 1nf6 h THR 121 Cb 0.76 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1nf6 h THR 121 CO 0.05 0.38 0.52 0.00 0.37 0.00 0.00 175.52 176.84 1nf6 h ALA 122 N 1.13 1.02 -0.37 6.16 0.00 -1.29 -2.02 119.26 123.90 1nf6 h ALA 122 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1nf6 h ALA 122 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nf6 h ALA 122 CO 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1nf6 h ARG 123 N 1.04 0.59 -0.02 0.00 2.47 -0.95 -1.11 114.38 116.39 1nf6 h ARG 123 Ca 0.30 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1nf6 h ARG 123 Cb -0.08 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 1nf6 h ARG 123 CO -0.08 0.64 -0.07 1.25 0.56 0.00 0.00 179.97 182.27 1nf6 h LEU 124 N 0.56 -0.20 -0.75 3.04 5.85 -0.85 -1.19 115.31 121.76 1nf6 h LEU 124 Ca 0.11 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1nf6 h LEU 124 Cb 0.40 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1nf6 h LEU 124 CO 0.02 -0.10 0.44 -0.26 -0.34 0.00 0.00 178.44 178.20 1nf6 h PHE 125 N -0.11 0.99 -0.72 1.25 -1.00 -1.04 -0.92 116.94 115.39 1nf6 h PHE 125 Ca 0.04 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.84 1nf6 h PHE 125 Cb 0.16 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.35 1nf6 h PHE 125 CO -0.15 0.67 0.45 0.93 -1.61 0.00 0.00 178.31 178.61 1nf6 h GLU 126 N 1.02 0.85 -0.26 1.51 5.08 -0.91 0.18 114.58 122.06 1nf6 h GLU 126 Ca 0.27 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 1nf6 h GLU 126 Cb -0.02 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1nf6 h GLU 126 CO -0.05 0.56 -0.48 0.00 -1.00 0.00 0.00 179.01 178.05 1nf6 h ARG 127 N 0.87 0.78 0.00 2.33 3.08 -0.76 -2.65 114.38 118.04 1nf6 h ARG 127 Ca 0.29 -0.49 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 1nf6 h ARG 127 Cb 0.04 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1nf6 h ARG 127 CO -0.12 1.12 -0.61 0.82 -1.07 0.00 0.00 179.97 180.11 1nf6 h ILE 128 N 0.53 1.39 -0.69 2.04 2.04 -0.98 -2.61 117.51 119.24 1nf6 h ILE 128 Ca 0.01 -2.14 -0.06 0.00 1.00 0.00 0.00 64.86 63.68 1nf6 h ILE 128 Cb 1.08 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 39.30 1nf6 h ILE 128 CO 0.11 0.60 0.19 0.40 0.00 0.00 0.00 178.15 179.45 1nf6 h ILE 129 N 0.00 1.26 -0.43 -0.67 2.04 -0.60 -1.15 117.51 117.95 1nf6 h ILE 129 Ca -0.01 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 1nf6 h ILE 129 Cb 1.12 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1nf6 h ILE 129 CO 0.08 0.35 -0.01 -0.33 0.00 0.00 0.00 178.15 178.24 1nf6 h GLU 130 N 1.03 0.70 -0.41 2.37 5.08 -1.10 -0.98 114.58 121.26 1nf6 h GLU 130 Ca 0.22 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1nf6 h GLU 130 Cb 0.33 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1nf6 h GLU 130 CO -0.00 0.72 -0.23 0.93 -1.00 0.00 0.00 179.01 179.42 1nf6 h GLU 131 N 0.65 0.88 -0.76 2.33 5.08 -1.33 -2.86 114.58 118.59 1nf6 h GLU 131 Ca 0.13 -0.40 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1nf6 h GLU 131 Cb 0.42 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1nf6 h GLU 131 CO 0.02 1.05 0.45 0.93 -1.00 0.00 0.00 179.01 180.45 1nf6 h GLU 132 N 0.70 0.79 -0.98 2.33 4.39 -0.59 -0.09 114.58 121.13 1nf6 h GLU 132 Ca 0.09 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1nf6 h GLU 132 Cb 0.80 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 1nf6 h GLU 132 CO 0.07 0.52 0.62 0.37 -1.16 0.00 0.00 179.01 179.42 1nf6 h GLN 133 N 0.81 0.98 -0.31 2.33 5.75 -1.11 -0.04 115.11 123.52 1nf6 h GLN 133 Ca 0.34 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.65 1nf6 h GLN 133 Cb 0.20 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1nf6 h GLN 133 CO -0.19 0.65 -0.33 0.00 -2.65 0.00 0.00 178.83 176.31 1nf6 h ALA 134 N 1.51 0.84 -0.36 3.38 0.00 -0.82 -1.16 119.26 122.66 1nf6 h ALA 134 Ca 0.47 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nf6 h ALA 134 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nf6 h ALA 134 CO -0.24 0.64 0.14 0.45 0.00 0.00 0.00 179.25 180.24 1nf6 h HIS 135 N 0.57 0.55 -0.30 0.00 3.86 -0.67 -2.27 115.15 116.89 1nf6 h HIS 135 Ca 0.06 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1nf6 h HIS 135 Cb 0.84 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1nf6 h HIS 135 CO 0.04 0.50 0.16 1.25 0.86 0.00 0.00 177.93 180.74 1nf6 h LEU 136 N 0.43 0.25 -0.25 2.43 5.85 -0.69 -0.74 115.31 122.59 1nf6 h LEU 136 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1nf6 h LEU 136 Cb 0.18 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1nf6 h LEU 136 CO -0.01 0.19 -0.05 0.74 -0.34 0.00 0.00 178.44 178.97 1nf6 h THR 137 N 0.33 0.77 -0.17 1.05 2.02 -1.20 -0.81 112.91 114.90 1nf6 h THR 137 Ca 0.12 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.34 1nf6 h THR 137 Cb 0.02 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1nf6 h THR 137 CO -0.07 0.00 -0.11 0.22 0.37 0.00 0.00 175.52 175.94 1nf6 h TYR 138 N 0.02 -0.27 -0.92 3.16 3.20 -0.99 -1.46 116.97 119.71 1nf6 h TYR 138 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1nf6 h TYR 138 Cb 0.18 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1nf6 h TYR 138 CO -0.24 -0.17 0.54 1.88 -1.64 0.00 0.00 178.16 178.53 1nf6 h TYR 139 N -0.10 1.23 -0.46 -3.82 0.99 -0.89 -2.13 116.97 111.79 1nf6 h TYR 139 Ca 0.10 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 1nf6 h TYR 139 Cb 0.26 -0.40 -0.02 0.00 1.00 0.00 0.00 36.73 37.57 1nf6 h TYR 139 CO -0.25 0.83 0.04 0.93 -0.00 0.00 0.00 178.16 179.70 1nf6 h GLU 140 N 1.28 0.79 -0.18 4.88 5.08 -0.75 -1.26 114.58 124.41 1nf6 h GLU 140 Ca 0.33 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nf6 h GLU 140 Cb -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1nf6 h GLU 140 CO -0.06 0.83 0.11 -0.91 -1.00 0.00 0.00 179.01 177.98 1nf6 h ASN 141 N 0.65 0.21 0.01 1.42 2.35 -1.00 -0.31 115.58 118.91 1nf6 h ASN 141 Ca 0.13 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1nf6 h ASN 141 Cb 0.45 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1nf6 h ASN 141 CO 0.02 0.20 -0.01 0.40 -1.65 0.00 0.00 177.43 176.39 1nf6 h ILE 142 N 0.21 1.21 -0.65 2.81 1.08 -1.31 -1.18 117.51 119.67 1nf6 h ILE 142 Ca 0.06 -0.66 0.16 0.00 -0.39 0.00 0.00 64.86 64.03 1nf6 h ILE 142 Cb 0.03 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 1nf6 h ILE 142 CO -0.01 0.17 0.45 1.23 -0.69 0.00 0.00 178.15 179.30 1nf6 h GLY 143 N -0.30 0.31 0.68 5.37 0.00 -1.19 -0.04 103.07 107.91 1nf6 h GLY 143 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1nf6 h GLY 143 CO 0.00 0.03 -0.10 0.23 0.00 0.00 0.00 176.54 176.70 1nf6 h SER 144 N 0.18 0.27 0.27 0.19 0.87 -0.53 -1.67 113.55 113.14 1nf6 h SER 144 Ca 0.31 -0.48 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1nf6 h SER 144 Cb 0.98 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1nf6 h SER 144 CO -0.05 0.70 -0.29 0.45 -0.53 0.00 0.00 176.83 177.10 1nf6 h HIS 145 N -0.14 0.03 -0.07 2.24 -0.00 -0.25 0.19 115.15 117.15 1nf6 h HIS 145 Ca 0.02 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 1nf6 h HIS 145 Cb 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1nf6 h HIS 145 CO 0.09 0.32 -0.14 0.82 -0.00 0.00 0.00 177.93 179.01 1nf6 h ILE 146 N 0.03 1.41 -0.19 2.45 2.04 -1.02 -1.06 117.51 121.17 1nf6 h ILE 146 Ca 0.00 -1.44 -0.13 0.00 1.00 0.00 0.00 64.86 64.29 1nf6 h ILE 146 Cb 0.53 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1nf6 h ILE 146 CO 0.04 0.40 -0.44 0.50 0.00 0.00 0.00 178.15 178.65 1nf6 h LYS 147 N -0.27 0.46 0.00 2.37 1.63 -1.03 -1.55 116.57 118.19 1nf6 h LYS 147 Ca 0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1nf6 h LYS 147 Cb 0.72 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1nf6 h LYS 147 CO 0.03 0.82 -1.09 0.09 -3.45 0.00 0.00 179.45 175.85 1nf6 n ASN 148 N -4.01 0.66 0.00 4.20 5.03 0.64 -4.59 115.26 117.20 1nf6 n ASN 148 Ca -0.02 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1nf6 n ASN 148 Cb 0.53 0.69 0.00 0.00 -1.02 0.00 0.00 39.78 39.98 1nf6 n ASN 148 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1nf6 n LEU 149 N -2.38 0.00 0.00 3.41 4.77 -0.41 -5.06 117.00 117.34 1nf6 n LEU 149 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1nf6 n LEU 149 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1nf6 n LEU 149 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1nf6 n GLY 150 N 0.74 2.67 0.43 -0.72 0.00 -0.58 -3.24 105.19 104.48 1nf6 n GLY 150 Ca 0.00 -0.20 0.25 0.00 0.00 0.00 0.00 46.02 46.08 1nf6 n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf6 h ASP 151 N 2.94 0.37 -0.01 1.61 5.19 -1.93 -0.59 116.42 123.99 1nf6 h ASP 151 Ca 0.00 0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.36 1nf6 h ASP 151 Cb 0.00 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1nf6 h ASP 151 CO 0.00 0.06 -0.37 0.74 -3.12 0.00 0.00 179.24 176.55 1nf6 h THR 152 N 0.32 1.30 -0.18 0.35 2.02 -1.97 0.97 112.91 115.71 1nf6 h THR 152 Ca 0.60 -1.51 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 1nf6 h THR 152 Cb 1.66 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1nf6 h THR 152 CO -0.26 0.47 -0.51 0.22 0.37 0.00 0.00 175.52 175.81 1nf6 h TYR 153 N 0.43 0.87 0.00 3.16 3.20 -1.25 -3.22 116.97 120.15 1nf6 h TYR 153 Ca 0.04 -0.34 -0.08 0.00 3.14 0.00 0.00 58.73 61.49 1nf6 h TYR 153 Cb 0.85 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1nf6 h TYR 153 CO 0.03 1.13 -0.36 -0.07 -1.64 0.00 0.00 178.16 177.25 1nf6 h LEU 154 N 0.36 0.00 -1.68 2.82 3.38 -1.29 -2.73 115.31 116.17 1nf6 h LEU 154 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1nf6 h LEU 154 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1nf6 h LEU 154 CO 0.11 0.36 0.03 0.00 0.09 0.00 0.00 178.44 179.04 1nf6 h ALA 155 N 1.64 1.75 0.00 1.53 0.00 -0.82 0.12 119.26 123.48 1nf6 h ALA 155 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1nf6 h ALA 155 Cb 0.85 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nf6 h ALA 155 CO 0.05 0.20 -0.59 -0.22 0.00 0.00 0.00 179.25 178.69 1nf6 h LYS 156 N 0.24 0.00 0.00 0.00 3.64 -1.55 -3.24 116.57 115.65 1nf6 h LYS 156 Ca 0.06 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.20 1nf6 h LYS 156 Cb 0.11 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1nf6 h LYS 156 CO -0.00 0.59 -1.26 0.82 -2.27 0.00 0.00 179.45 177.32 1nf6 h ILE 157 N 0.00 1.36 -2.00 2.00 1.08 -1.18 -3.44 117.51 115.33 1nf6 h ILE 157 Ca -0.01 -3.12 -0.63 0.00 -0.39 0.00 0.00 64.86 60.72 1nf6 h ILE 157 Cb 1.32 2.67 0.05 0.00 -3.07 0.00 0.00 36.82 37.78 1nf6 h ILE 157 CO 0.08 0.77 0.76 0.00 -0.69 0.00 0.00 178.15 179.07 1nf6 n ALA 158 N -2.43 0.49 -0.99 1.87 0.00 0.29 -1.83 120.51 117.91 1nf6 n ALA 158 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1nf6 n ALA 158 Cb 0.98 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1nf6 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf6 n GLY 159 N 3.40 0.76 3.77 0.00 0.00 -0.73 -5.00 105.19 107.40 1nf6 n GLY 159 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1nf6 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf6 s THR 160 N -3.09 3.29 0.46 2.61 -4.23 -0.76 -4.95 115.64 108.97 1nf6 s THR 160 Ca 0.00 0.42 -0.23 0.00 -1.18 0.00 0.00 61.69 60.70 1nf6 s THR 160 Cb 0.00 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.80 1nf6 s THR 160 CO 0.00 -0.55 1.18 -2.84 -0.54 0.00 0.00 174.62 171.88 1nf6 s PRO 161 N -4.95 3.75 0.00 3.99 0.02 -1.26 -3.83 135.00 132.72 1nf6 s PRO 161 Ca 0.61 1.83 0.10 0.00 0.02 0.00 0.00 61.00 63.56 1nf6 s PRO 161 Cb -0.17 -2.44 0.05 0.00 0.02 0.00 0.00 34.50 31.97 1nf6 s PRO 161 CO 0.56 -0.57 0.76 -1.13 -0.33 0.00 0.00 177.00 176.29 1nf6 n SER 162 N -0.44 1.64 -4.63 2.53 3.41 -1.26 -3.26 113.62 111.61 1nf6 n SER 162 Ca 0.07 -1.32 -0.41 0.00 -0.26 0.00 0.00 58.87 56.95 1nf6 n SER 162 Cb 0.47 0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 1nf6 n SER 162 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nf6 n SER 163 N 0.30 1.54 -0.61 4.04 2.88 -1.26 -4.20 113.62 116.31 1nf6 n SER 163 Ca 0.05 1.03 0.05 0.00 -1.33 0.00 0.00 58.87 58.68 1nf6 n SER 163 Cb 0.24 -1.39 0.15 0.00 -0.75 0.00 0.00 64.21 62.46 1nf6 n SER 163 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nf6 n THR 164 N -0.53 1.03 0.00 2.46 -2.24 -1.26 -4.90 114.28 108.84 1nf6 n THR 164 Ca 0.09 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1nf6 n THR 164 Cb 0.40 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1nf6 n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nf6 n GLY 165 N 0.43 0.23 3.76 3.38 0.00 -1.26 -5.03 105.19 106.70 1nf6 n GLY 165 Ca 0.11 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 1nf6 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf6 s THR 166 N 0.00 2.81 0.44 2.61 -1.32 -1.26 -4.96 115.64 113.96 1nf6 s THR 166 Ca 0.00 0.51 -0.25 0.00 -1.21 0.00 0.00 61.69 60.74 1nf6 s THR 166 Cb 0.00 -3.21 -0.08 0.00 -1.51 0.00 0.00 72.50 67.70 1nf6 s THR 166 CO 0.00 -0.10 1.31 0.00 -2.21 0.00 0.00 174.62 173.62 1nf6 s ALA 167 N -1.63 3.16 -0.36 11.08 0.00 -1.26 -4.89 121.76 127.85 1nf6 s ALA 167 Ca 0.75 1.25 -0.41 0.00 0.00 0.00 0.00 51.96 53.55 1nf6 s ALA 167 Cb -0.29 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.17 1nf6 s ALA 167 CO 0.32 -0.94 1.89 -1.13 0.00 0.00 0.00 175.76 175.90 1nf6 n SER 168 N -0.16 1.90 -4.50 0.00 3.41 -1.26 -4.85 113.62 108.15 1nf6 n SER 168 Ca 0.05 0.88 -0.47 0.00 -0.26 0.00 0.00 58.87 59.08 1nf6 n SER 168 Cb 0.44 -1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 1nf6 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nf6 n LYS 169 N 6.16 1.33 -1.02 4.33 5.02 -1.26 -4.91 118.16 127.82 1nf6 n LYS 169 Ca 0.35 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1nf6 n LYS 169 Cb 0.10 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.33 1nf6 n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nf6 n GLY 170 N 6.25 4.35 0.07 0.72 0.00 -1.26 -5.08 105.19 110.24 1nf6 n GLY 170 Ca 0.38 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1nf6 n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nf6 h PHE 171 N 0.40 0.00 0.00 1.61 3.57 -2.05 -3.56 116.94 116.91 1nf6 h PHE 171 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nf6 h PHE 171 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nf6 h PHE 171 CO 0.00 1.01 0.00 1.33 -2.23 0.00 0.00 178.31 178.42