#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf6 s ASN 4 N 0.00 5.63 0.14 1.61 4.22 -1.26 -4.80 114.94 120.48 1nf6 s ASN 4 Ca 0.00 0.89 -0.30 0.00 -2.14 0.00 0.00 52.86 51.31 1nf6 s ASN 4 Cb 0.00 -1.85 -0.06 0.00 1.28 0.00 0.00 41.25 40.62 1nf6 s ASN 4 CO 0.00 -1.10 1.57 0.03 -2.04 0.00 0.00 177.10 175.56 1nf6 h ARG 5 N -0.29 -0.41 -0.68 3.55 2.47 -2.01 0.80 114.38 117.81 1nf6 h ARG 5 Ca -0.45 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.43 1nf6 h ARG 5 Cb 1.25 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 29.56 1nf6 h ARG 5 CO 0.62 -0.27 0.19 0.93 0.56 0.00 0.00 179.97 181.99 1nf6 h GLU 6 N -0.42 0.30 -0.37 0.04 3.07 -1.98 -1.04 114.58 114.18 1nf6 h GLU 6 Ca 0.09 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1nf6 h GLU 6 Cb 0.62 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1nf6 h GLU 6 CO -0.52 0.20 -0.07 -0.44 -1.40 0.00 0.00 179.01 176.78 1nf6 h ASP 7 N 0.31 0.69 -0.90 1.42 3.32 -1.61 0.22 116.42 119.87 1nf6 h ASP 7 Ca 0.37 -0.35 0.16 0.00 0.02 0.00 0.00 57.03 57.23 1nf6 h ASP 7 Cb 0.58 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 39.85 1nf6 h ASP 7 CO -0.44 0.88 0.49 0.03 -1.72 0.00 0.00 179.24 178.48 1nf6 h ARG 8 N 0.49 0.66 0.00 3.56 3.08 0.05 0.03 114.38 122.25 1nf6 h ARG 8 Ca 0.10 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1nf6 h ARG 8 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1nf6 h ARG 8 CO 0.03 0.43 -0.32 0.87 -1.07 0.00 0.00 179.97 179.92 1nf6 h LYS 9 N 0.68 0.00 0.08 0.04 1.57 -0.58 -3.09 116.57 115.27 1nf6 h LYS 9 Ca 0.50 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.05 1nf6 h LYS 9 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.05 1nf6 h LYS 9 CO -0.37 0.32 -0.95 0.00 -0.57 0.00 0.00 179.45 177.88 1nf6 h ALA 10 N 1.68 0.01 -0.60 3.86 0.00 0.12 -2.25 119.26 122.08 1nf6 h ALA 10 Ca -0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1nf6 h ALA 10 Cb 1.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1nf6 h ALA 10 CO 0.04 0.52 0.02 0.87 0.00 0.00 0.00 179.25 180.71 1nf6 h LYS 11 N 0.04 1.04 -0.33 0.00 1.57 -1.24 -1.95 116.57 115.70 1nf6 h LYS 11 Ca -0.14 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1nf6 h LYS 11 Cb 1.67 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.87 1nf6 h LYS 11 CO 0.18 1.01 -0.38 0.28 -0.57 0.00 0.00 179.45 179.97 1nf6 h VAL 12 N 0.93 1.28 -0.96 0.50 2.07 -1.63 -2.34 116.25 116.10 1nf6 h VAL 12 Ca 0.17 -1.56 0.07 0.00 0.82 0.00 0.00 66.70 66.20 1nf6 h VAL 12 Cb 0.53 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1nf6 h VAL 12 CO 0.03 0.51 0.62 0.40 0.02 0.00 0.00 177.57 179.15 1nf6 h ILE 13 N 0.62 1.06 0.29 4.57 2.04 -1.35 0.22 117.51 124.96 1nf6 h ILE 13 Ca 0.04 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1nf6 h ILE 13 Cb 0.98 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1nf6 h ILE 13 CO 0.09 0.20 -0.25 -0.08 0.00 0.00 0.00 178.15 178.11 1nf6 h GLU 14 N 1.09 -0.54 0.00 2.37 4.81 -0.90 -0.00 114.58 121.42 1nf6 h GLU 14 Ca 0.42 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.60 1nf6 h GLU 14 Cb 0.22 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1nf6 h GLU 14 CO -0.17 -0.36 -0.43 -0.39 -0.73 0.00 0.00 179.01 176.93 1nf6 h VAL 15 N -0.56 1.16 -0.49 0.32 -1.51 -1.17 -2.12 116.25 111.89 1nf6 h VAL 15 Ca -0.02 -1.56 -0.04 0.00 -1.23 0.00 0.00 66.70 63.85 1nf6 h VAL 15 Cb 0.50 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 1nf6 h VAL 15 CO -0.03 0.42 0.13 -0.07 -1.23 0.00 0.00 177.57 176.79 1nf6 h LEU 16 N 0.00 0.67 -0.14 4.19 3.38 -0.58 -0.96 115.31 121.88 1nf6 h LEU 16 Ca -0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1nf6 h LEU 16 Cb 0.84 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1nf6 h LEU 16 CO 0.06 0.66 -0.43 0.78 0.09 0.00 0.00 178.44 179.59 1nf6 h ASN 17 N 0.71 0.00 -0.05 -0.43 2.35 -0.56 -1.23 115.58 116.37 1nf6 h ASN 17 Ca 0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1nf6 h ASN 17 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1nf6 h ASN 17 CO -0.00 0.43 -0.14 0.11 -1.65 0.00 0.00 177.43 176.18 1nf6 h LYS 18 N 0.00 0.18 -0.77 0.81 1.57 -1.08 -1.35 116.57 115.93 1nf6 h LYS 18 Ca -0.00 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1nf6 h LYS 18 Cb 1.28 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 1nf6 h LYS 18 CO 0.06 0.74 0.49 0.00 -0.57 0.00 0.00 179.45 180.17 1nf6 h ALA 19 N 0.44 0.99 -0.63 3.86 0.00 -1.18 -2.07 119.26 120.68 1nf6 h ALA 19 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1nf6 h ALA 19 Cb 0.75 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1nf6 h ALA 19 CO 0.03 0.32 0.18 -0.09 0.00 0.00 0.00 179.25 179.69 1nf6 h ARG 20 N 0.98 0.99 -0.15 0.00 2.43 -1.23 -1.51 114.38 115.89 1nf6 h ARG 20 Ca 0.30 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1nf6 h ARG 20 Cb -0.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1nf6 h ARG 20 CO -0.09 0.89 -0.19 0.00 -1.51 0.00 0.00 179.97 179.06 1nf6 h ALA 21 N 1.06 1.41 -0.21 2.80 0.00 -0.85 0.37 119.26 123.84 1nf6 h ALA 21 Ca 0.20 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1nf6 h ALA 21 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nf6 h ALA 21 CO -0.00 0.41 -0.47 0.52 0.00 0.00 0.00 179.25 179.71 1nf6 h MET 22 N 0.23 0.55 -0.31 0.00 2.86 -1.05 0.28 114.93 117.48 1nf6 h MET 22 Ca 0.04 -0.31 -0.12 0.00 -2.06 0.00 0.00 59.70 57.25 1nf6 h MET 22 Cb 0.48 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1nf6 h MET 22 CO 0.03 0.90 -0.32 0.93 1.06 0.00 0.00 176.91 179.52 1nf6 h GLU 23 N 0.44 0.66 -0.31 1.72 4.39 -0.23 -0.22 114.58 121.03 1nf6 h GLU 23 Ca 0.02 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1nf6 h GLU 23 Cb 0.99 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1nf6 h GLU 23 CO 0.09 0.89 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.70 1nf6 h LEU 24 N 0.56 0.48 0.02 1.33 3.38 -0.89 -1.50 115.31 118.70 1nf6 h LEU 24 Ca 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nf6 h LEU 24 Cb 0.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1nf6 h LEU 24 CO 0.07 0.60 -0.01 -0.74 0.09 0.00 0.00 178.44 178.44 1nf6 h HIS 25 N 0.47 -0.03 -0.94 1.13 2.76 -0.94 -3.03 115.15 114.57 1nf6 h HIS 25 Ca 0.09 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.38 1nf6 h HIS 25 Cb 0.41 0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.30 1nf6 h HIS 25 CO 0.01 0.33 0.57 0.00 -1.30 0.00 0.00 177.93 177.54 1nf6 h ALA 26 N 0.57 1.39 -0.25 5.26 0.00 -0.89 0.24 119.26 125.58 1nf6 h ALA 26 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nf6 h ALA 26 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1nf6 h ALA 26 CO 0.01 0.17 0.01 0.82 0.00 0.00 0.00 179.25 180.25 1nf6 h ILE 27 N 0.91 0.83 -0.49 0.00 2.04 -1.25 -0.24 117.51 119.31 1nf6 h ILE 27 Ca 0.46 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 66.20 1nf6 h ILE 27 Cb 0.46 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1nf6 h ILE 27 CO -0.27 0.02 -0.06 0.45 0.00 0.00 0.00 178.15 178.29 1nf6 h HIS 28 N 0.09 1.00 0.01 1.37 3.86 -1.13 -1.84 115.15 118.50 1nf6 h HIS 28 Ca 0.12 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1nf6 h HIS 28 Cb 0.15 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1nf6 h HIS 28 CO -0.19 0.96 -0.01 0.37 0.86 0.00 0.00 177.93 179.92 1nf6 h GLN 29 N 0.75 -0.02 -0.06 2.45 5.75 -0.32 -2.10 115.11 121.57 1nf6 h GLN 29 Ca 0.13 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 1nf6 h GLN 29 Cb 0.60 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1nf6 h GLN 29 CO 0.04 0.50 -0.48 1.88 -2.65 0.00 0.00 178.83 178.11 1nf6 h TYR 30 N -0.55 0.17 -0.30 3.99 0.99 -1.11 -2.11 116.97 118.05 1nf6 h TYR 30 Ca -0.00 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.57 1nf6 h TYR 30 Cb 0.53 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.21 1nf6 h TYR 30 CO 0.11 0.60 -0.26 0.52 -0.00 0.00 0.00 178.16 179.12 1nf6 h MET 31 N 0.11 0.58 -0.60 4.88 2.86 -1.37 0.33 114.93 121.73 1nf6 h MET 31 Ca 0.00 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1nf6 h MET 31 Cb 0.90 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1nf6 h MET 31 CO 0.07 0.79 0.17 -0.97 1.06 0.00 0.00 176.91 178.03 1nf6 h ASN 32 N 0.51 0.89 -0.39 1.22 -1.24 -0.95 0.28 115.58 115.91 1nf6 h ASN 32 Ca 0.07 -0.22 -0.08 0.00 0.71 0.00 0.00 56.30 56.79 1nf6 h ASN 32 Cb 0.72 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1nf6 h ASN 32 CO 0.06 0.87 -0.02 1.56 -1.29 0.00 0.00 177.43 178.61 1nf6 h GLN 33 N 0.86 0.79 -0.32 6.67 4.20 -1.22 -2.65 115.11 123.43 1nf6 h GLN 33 Ca 0.19 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1nf6 h GLN 33 Cb 0.32 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1nf6 h GLN 33 CO -0.00 0.80 0.17 1.25 -0.67 0.00 0.00 178.83 180.38 1nf6 h HIS 34 N 0.73 0.31 -0.46 2.96 -0.00 0.56 -0.97 115.15 118.29 1nf6 h HIS 34 Ca 0.14 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.56 1nf6 h HIS 34 Cb 0.47 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1nf6 h HIS 34 CO 0.02 0.18 0.30 1.88 -0.00 0.00 0.00 177.93 180.31 1nf6 h TYR 35 N 0.35 0.47 -0.06 5.26 0.99 -0.68 0.16 116.97 123.45 1nf6 h TYR 35 Ca 0.13 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 1nf6 h TYR 35 Cb 0.03 -0.16 -0.00 0.00 1.00 0.00 0.00 36.73 37.60 1nf6 h TYR 35 CO -0.09 0.27 -0.08 0.77 -0.00 0.00 0.00 178.16 179.04 1nf6 h SER 36 N 0.48 0.18 -0.64 3.88 0.02 -1.12 -1.51 113.55 114.84 1nf6 h SER 36 Ca 0.19 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1nf6 h SER 36 Cb 0.14 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1nf6 h SER 36 CO -0.05 0.65 0.26 -0.07 -1.14 0.00 0.00 176.83 176.48 1nf6 h LEU 37 N -0.28 0.88 -0.04 5.07 3.38 -0.48 0.45 115.31 124.28 1nf6 h LEU 37 Ca 0.01 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1nf6 h LEU 37 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nf6 h LEU 37 CO 0.02 0.81 -0.01 -0.78 0.09 0.00 0.00 178.44 178.57 1nf6 h ASP 38 N 0.90 -0.04 -0.83 -0.43 3.58 -0.76 0.21 116.42 119.06 1nf6 h ASP 38 Ca 0.22 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.78 1nf6 h ASP 38 Cb 0.20 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.20 1nf6 h ASP 38 CO -0.02 -0.02 0.46 -0.78 -2.88 0.00 0.00 179.24 176.01 1nf6 h ASP 39 N -0.00 0.64 0.70 2.28 3.58 -0.73 0.38 116.42 123.28 1nf6 h ASP 39 Ca 0.02 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1nf6 h ASP 39 Cb 0.03 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1nf6 h ASP 39 CO -0.04 0.35 0.00 0.23 -2.88 0.00 0.00 179.24 176.90 1nf6 n MET 40 N -4.77 0.17 -2.86 0.28 2.81 0.15 -4.89 117.12 108.01 1nf6 n MET 40 Ca 0.14 0.40 -0.13 0.00 -1.81 0.00 0.00 57.70 56.30 1nf6 n MET 40 Cb 0.31 -1.83 0.03 0.00 -0.71 0.00 0.00 33.22 31.02 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 -2.16 -4.32 -4.23 7.83 2.03 0.13 -4.92 116.55 110.92 1nf6 n ASP 41 Ca 0.02 -0.22 -0.44 0.00 0.52 0.00 0.00 54.79 54.67 1nf6 n ASP 41 Cb 0.22 -3.08 0.00 0.00 -0.72 0.00 0.00 41.12 37.55 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 -3.96 4.26 -0.13 -0.67 0.53 -0.66 -1.90 117.16 114.63 1nf6 n TYR 42 Ca -0.04 -3.45 -0.05 0.00 -1.02 0.00 0.00 57.90 53.35 1nf6 n TYR 42 Cb 0.56 -1.58 0.02 0.00 -1.03 0.00 0.00 39.34 37.30 1nf6 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1nf6 h GLY 43 N 6.36 0.20 1.01 2.72 0.00 -1.67 0.23 103.07 111.91 1nf6 h GLY 43 Ca 0.19 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1nf6 h GLY 43 CO 1.14 -0.19 0.12 -2.09 0.00 0.00 0.00 176.54 175.52 1nf6 h GLU 44 N -0.07 0.92 -0.70 4.80 4.81 -1.71 0.21 114.58 122.84 1nf6 h GLU 44 Ca 0.21 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1nf6 h GLU 44 Cb 0.38 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1nf6 h GLU 44 CO -0.47 0.87 0.18 -0.07 -0.73 0.00 0.00 179.01 178.78 1nf6 h LEU 45 N 0.82 1.06 -0.43 1.64 3.38 -1.77 -1.48 115.31 118.53 1nf6 h LEU 45 Ca 0.18 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1nf6 h LEU 45 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1nf6 h LEU 45 CO 0.01 1.02 0.12 0.00 0.09 0.00 0.00 178.44 179.67 1nf6 h ALA 46 N 1.09 0.57 0.11 1.53 0.00 -0.02 -2.51 119.26 120.02 1nf6 h ALA 46 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nf6 h ALA 46 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nf6 h ALA 46 CO 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.43 1nf6 h ALA 47 N 0.98 -0.15 0.00 0.00 0.00 -0.49 -2.24 119.26 117.36 1nf6 h ALA 47 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nf6 h ALA 47 Cb 0.29 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nf6 h ALA 47 CO -0.00 -0.46 -0.06 -0.91 0.00 0.00 0.00 179.25 177.82 1nf6 h ASN 48 N -0.41 0.00 -0.11 0.00 2.35 -1.27 0.25 115.58 116.38 1nf6 h ASN 48 Ca -0.02 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1nf6 h ASN 48 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1nf6 h ASN 48 CO 0.02 0.06 -0.43 -0.03 -1.65 0.00 0.00 177.43 175.40 1nf6 h MET 49 N 0.00 0.50 -0.39 0.81 4.05 -1.33 -0.93 114.93 117.64 1nf6 h MET 49 Ca -0.00 -0.38 -0.05 0.00 -0.28 0.00 0.00 59.70 58.99 1nf6 h MET 49 Cb 0.13 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1nf6 h MET 49 CO 0.01 1.01 0.04 -0.22 0.23 0.00 0.00 176.91 177.97 1nf6 h LYS 50 N 0.09 0.59 -0.15 0.39 3.64 -0.66 -0.92 116.57 119.56 1nf6 h LYS 50 Ca -0.02 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.09 1nf6 h LYS 50 Cb 1.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1nf6 h LYS 50 CO 0.09 0.59 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.26 1nf6 h LEU 51 N 0.57 0.49 -0.49 5.20 3.38 -0.84 -0.64 115.31 122.98 1nf6 h LEU 51 Ca 0.13 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1nf6 h LEU 51 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1nf6 h LEU 51 CO 0.01 0.93 -0.24 0.40 0.09 0.00 0.00 178.44 179.62 1nf6 h ILE 52 N 0.34 1.27 -0.62 1.22 2.04 -0.82 -2.32 117.51 118.61 1nf6 h ILE 52 Ca 0.01 -1.41 0.06 0.00 1.00 0.00 0.00 64.86 64.52 1nf6 h ILE 52 Cb 1.05 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1nf6 h ILE 52 CO 0.09 0.48 0.41 0.00 0.00 0.00 0.00 178.15 179.14 1nf6 h ALA 53 N 0.87 1.79 -0.12 1.87 0.00 -0.92 -1.28 119.26 121.46 1nf6 h ALA 53 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1nf6 h ALA 53 Cb 0.82 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1nf6 h ALA 53 CO 0.07 0.12 -0.41 0.82 0.00 0.00 0.00 179.25 179.84 1nf6 h ILE 54 N 0.62 1.31 -0.70 0.00 2.04 -0.72 -1.39 117.51 118.67 1nf6 h ILE 54 Ca 0.27 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1nf6 h ILE 54 Cb 0.26 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1nf6 h ILE 54 CO -0.08 0.46 0.20 0.44 0.00 0.00 0.00 178.15 179.17 1nf6 h ASP 55 N 0.22 1.02 -0.39 1.72 3.32 -0.74 -2.06 116.42 119.50 1nf6 h ASP 55 Ca 0.02 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 1nf6 h ASP 55 Cb 0.83 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1nf6 h ASP 55 CO 0.07 0.96 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.13 1nf6 h GLU 56 N 1.04 0.83 -0.62 3.56 4.39 -0.77 -1.71 114.58 121.30 1nf6 h GLU 56 Ca 0.23 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1nf6 h GLU 56 Cb 0.32 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1nf6 h GLU 56 CO -0.00 0.89 0.31 0.52 -1.16 0.00 0.00 179.01 179.57 1nf6 h MET 57 N 0.75 0.56 0.00 2.33 2.86 -1.02 0.66 114.93 121.07 1nf6 h MET 57 Ca 0.13 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1nf6 h MET 57 Cb 0.58 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1nf6 h MET 57 CO 0.04 0.37 -0.28 0.00 1.06 0.00 0.00 176.91 178.10 1nf6 h ARG 58 N 0.58 0.00 0.25 1.72 3.08 -0.88 -1.76 114.38 117.37 1nf6 h ARG 58 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1nf6 h ARG 58 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1nf6 h ARG 58 CO -0.21 0.28 -0.12 0.45 -1.07 0.00 0.00 179.97 179.30 1nf6 h HIS 59 N 0.00 -0.31 -1.02 3.04 3.86 -0.37 -0.54 115.15 119.82 1nf6 h HIS 59 Ca -0.00 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.45 1nf6 h HIS 59 Cb 0.61 0.10 -0.11 0.00 1.06 0.00 0.00 27.41 29.07 1nf6 h HIS 59 CO 0.00 0.06 0.63 0.00 0.86 0.00 0.00 177.93 179.48 1nf6 h ALA 60 N -0.23 1.97 -0.15 2.45 0.00 -0.73 0.50 119.26 123.08 1nf6 h ALA 60 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1nf6 h ALA 60 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nf6 h ALA 60 CO 0.06 -0.40 -0.26 1.49 0.00 0.00 0.00 179.25 180.14 1nf6 h GLU 61 N 0.52 0.43 -0.57 0.00 4.81 -1.25 -1.49 114.58 117.04 1nf6 h GLU 61 Ca 0.61 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1nf6 h GLU 61 Cb 1.30 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1nf6 h GLU 61 CO -0.38 0.87 0.01 -0.91 -0.73 0.00 0.00 179.01 177.86 1nf6 h ASN 62 N 0.05 0.98 0.19 1.04 -0.26 -0.29 -0.18 115.58 117.12 1nf6 h ASN 62 Ca 0.01 -0.30 -0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1nf6 h ASN 62 Cb 0.84 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1nf6 h ASN 62 CO 0.06 1.05 -0.13 -0.26 -1.06 0.00 0.00 177.43 177.09 1nf6 h PHE 63 N 0.89 -0.33 -0.58 1.19 0.05 -0.96 -0.92 116.94 116.29 1nf6 h PHE 63 Ca 0.16 -0.00 0.11 0.00 3.82 0.00 0.00 57.97 62.06 1nf6 h PHE 63 Cb 0.54 0.12 -0.09 0.00 2.00 0.00 0.00 35.95 38.51 1nf6 h PHE 63 CO 0.04 -0.20 0.05 0.00 -0.18 0.00 0.00 178.31 178.02 1nf6 h ALA 64 N 0.48 0.60 -0.69 2.45 0.00 -0.91 0.26 119.26 121.46 1nf6 h ALA 64 Ca -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nf6 h ALA 64 Cb 0.27 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1nf6 h ALA 64 CO 0.01 -0.36 0.35 0.93 0.00 0.00 0.00 179.25 180.18 1nf6 h GLU 65 N 0.16 0.98 -0.27 0.00 5.08 -0.91 -0.84 114.58 118.78 1nf6 h GLU 65 Ca 0.30 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1nf6 h GLU 65 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1nf6 h GLU 65 CO -0.45 0.76 0.10 -0.09 -1.00 0.00 0.00 179.01 178.32 1nf6 h ARG 66 N 0.95 0.41 -0.65 2.33 9.65 0.41 -1.59 114.38 125.90 1nf6 h ARG 66 Ca 0.24 -0.08 0.14 0.00 -1.10 0.00 0.00 59.98 59.18 1nf6 h ARG 66 Cb 0.09 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 1nf6 h ARG 66 CO -0.03 0.46 0.44 0.82 2.80 0.00 0.00 179.97 184.46 1nf6 h ILE 67 N 0.28 0.78 -0.11 1.20 2.04 -0.21 0.09 117.51 121.58 1nf6 h ILE 67 Ca 0.09 -0.09 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1nf6 h ILE 67 Cb 0.21 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1nf6 h ILE 67 CO -0.01 0.05 -0.77 0.11 0.00 0.00 0.00 178.15 177.53 1nf6 h LYS 68 N 0.25 0.62 0.00 2.37 1.79 -0.54 0.71 116.57 121.76 1nf6 h LYS 68 Ca 0.31 -0.51 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 1nf6 h LYS 68 Cb 0.88 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1nf6 h LYS 68 CO -0.07 1.14 -0.16 0.93 -1.08 0.00 0.00 179.45 180.21 1nf6 h GLU 69 N 0.42 0.00 -0.23 3.15 5.08 -0.04 -2.23 114.58 120.72 1nf6 h GLU 69 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nf6 h GLU 69 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1nf6 h GLU 69 CO 0.15 0.16 0.00 1.28 -1.00 0.00 0.00 179.01 179.60 1nf6 n LEU 70 N -4.00 2.42 0.00 1.33 4.77 -0.87 -4.94 117.00 115.71 1nf6 n LEU 70 Ca -0.02 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1nf6 n LEU 70 Cb 0.24 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1nf6 n LEU 70 CO 0.33 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1nf6 n GLY 71 N 1.29 0.60 1.93 -0.72 0.00 -0.84 -4.92 105.19 102.52 1nf6 n GLY 71 Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1nf6 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf6 n GLY 72 N -2.77 1.00 3.06 -0.02 0.00 0.23 -5.00 105.19 101.69 1nf6 n GLY 72 Ca 0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1nf6 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf6 s GLU 73 N -3.63 2.43 0.22 1.61 2.56 -1.26 -4.31 118.70 116.32 1nf6 s GLU 73 Ca 0.32 -0.62 -0.30 0.00 0.00 0.00 0.00 54.97 54.37 1nf6 s GLU 73 Cb -0.02 -2.14 -0.09 0.00 2.00 0.00 0.00 34.13 33.88 1nf6 s GLU 73 CO 0.21 -0.16 1.34 -2.14 -0.56 0.00 0.00 175.26 173.94 1nf6 s PRO 74 N 1.26 4.36 0.78 4.30 0.02 -1.26 -4.99 135.00 139.47 1nf6 s PRO 74 Ca 0.01 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 1nf6 s PRO 74 Cb -0.14 -3.17 0.06 0.00 0.02 0.00 0.00 34.50 31.28 1nf6 s PRO 74 CO -0.08 -0.28 1.09 -0.08 -0.33 0.00 0.00 177.00 177.32 1nf6 s THR 75 N 0.01 3.32 -0.01 0.99 -1.32 -1.26 -4.98 115.64 112.39 1nf6 s THR 75 Ca 0.57 0.43 0.02 0.00 -1.21 0.00 0.00 61.69 61.49 1nf6 s THR 75 Cb -0.38 -2.96 0.02 0.00 -1.51 0.00 0.00 72.50 67.68 1nf6 s THR 75 CO 0.40 -0.56 0.98 0.35 -2.21 0.00 0.00 174.62 173.58 1nf6 n THR 76 N -3.52 1.00 -4.92 5.08 -2.24 -1.26 -4.95 114.28 103.47 1nf6 n THR 76 Ca 0.08 -1.03 -0.32 0.00 -2.27 0.00 0.00 64.05 60.51 1nf6 n THR 76 Cb 0.53 0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.08 2.41 0.49 -0.78 -0.21 -1.26 -5.12 119.66 114.11 1nf6 s GLN 77 Ca 0.03 -0.76 -0.16 0.00 0.02 0.00 0.00 55.36 54.49 1nf6 s GLN 77 Cb 0.02 -2.31 -0.08 0.00 1.00 0.00 0.00 33.01 31.64 1nf6 s GLN 77 CO 0.00 0.61 0.94 -1.59 -2.12 0.00 0.00 175.29 173.13 1nf6 s LYS 78 N -0.79 3.94 -0.29 2.91 -2.85 -1.26 -4.49 119.74 116.90 1nf6 s LYS 78 Ca 0.12 0.88 -0.14 0.00 -1.00 0.00 0.00 55.97 55.83 1nf6 s LYS 78 Cb -0.11 -2.19 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 1nf6 s LYS 78 CO 0.01 -0.21 0.31 -2.00 0.10 0.00 0.00 175.35 173.56 1nf6 s GLU 79 N -3.96 3.86 0.00 1.78 2.56 0.93 -4.92 118.70 118.95 1nf6 s GLU 79 Ca 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.33 1nf6 s GLU 79 Cb -0.10 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.33 1nf6 s GLU 79 CO 0.30 -0.32 0.00 0.41 -0.56 0.00 0.00 175.26 175.09 1nf6 n GLY 80 N 4.89 1.15 3.83 -1.50 0.00 -1.26 -4.69 105.19 107.60 1nf6 n GLY 80 Ca -0.10 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.64 3.28 -0.14 1.61 1.02 -1.26 -5.01 119.74 117.60 1nf6 s LYS 81 Ca 0.00 -0.28 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 1nf6 s LYS 81 Cb 0.00 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1nf6 s LYS 81 CO 0.00 0.72 0.73 0.08 -0.92 0.00 0.00 175.35 175.96 1nf6 s VAL 82 N -1.08 4.98 -0.19 3.17 1.01 -1.26 -5.04 120.40 121.98 1nf6 s VAL 82 Ca 0.18 1.45 -0.21 0.00 0.00 0.00 0.00 61.98 63.40 1nf6 s VAL 82 Cb -0.12 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1nf6 s VAL 82 CO 0.08 0.14 0.64 -0.69 0.00 0.00 0.00 175.10 175.27 1nf6 s VAL 83 N 1.56 5.01 0.35 2.92 1.01 -1.26 -5.08 120.40 124.91 1nf6 s VAL 83 Ca 0.36 1.22 0.08 0.00 0.00 0.00 0.00 61.98 63.64 1nf6 s VAL 83 Cb -0.17 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1nf6 s VAL 83 CO 0.14 0.11 0.12 0.42 0.00 0.00 0.00 175.10 175.90 1nf6 s THR 84 N 1.88 2.86 -0.75 3.92 -4.23 -1.26 -4.70 115.64 113.35 1nf6 s THR 84 Ca 0.30 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 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 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1nf6 n GLY 85 N -1.13 0.54 3.74 3.99 0.00 -1.26 -5.02 105.19 106.05 1nf6 n GLY 85 Ca -0.03 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.49 4.57 1.07 1.61 -0.21 -1.26 -5.05 119.66 116.90 1nf6 s GLN 86 Ca 0.00 1.20 -0.17 0.00 0.02 0.00 0.00 55.36 56.42 1nf6 s GLN 86 Cb 0.00 -3.37 0.23 0.00 1.00 0.00 0.00 33.01 30.87 1nf6 s GLN 86 CO 0.00 0.26 1.17 0.00 -2.12 0.00 0.00 175.29 174.60 1nf6 s ALA 87 N -0.03 1.29 0.11 6.09 0.00 -1.26 -4.73 121.76 123.23 1nf6 s ALA 87 Ca 0.41 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 1nf6 s ALA 87 Cb -0.21 -2.90 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1nf6 s ALA 87 CO 0.25 -2.98 1.70 0.28 0.00 0.00 0.00 175.76 175.01 1nf6 h VAL 88 N -2.08 1.13 -0.58 0.00 2.07 -1.99 -1.02 116.25 113.79 1nf6 h VAL 88 Ca -0.47 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1nf6 h VAL 88 Cb 1.29 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1nf6 h VAL 88 CO 0.42 0.13 0.29 -0.65 0.02 0.00 0.00 177.57 177.79 1nf6 h PRO 89 N 0.29 0.81 0.00 1.57 0.11 -1.98 -2.85 132.00 129.94 1nf6 h PRO 89 Ca 0.09 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 1nf6 h PRO 89 Cb 0.09 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1nf6 h PRO 89 CO -0.01 0.61 -0.74 0.28 -0.21 0.00 0.00 178.00 177.93 1nf6 h VAL 90 N 0.81 1.44 -0.00 3.15 2.07 -1.87 -2.39 116.25 119.46 1nf6 h VAL 90 Ca 0.20 -2.60 0.01 0.00 0.82 0.00 0.00 66.70 65.13 1nf6 h VAL 90 Cb 0.06 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1nf6 h VAL 90 CO -0.03 0.72 -0.05 0.40 0.02 0.00 0.00 177.57 178.64 1nf6 h ILE 91 N 0.00 0.88 0.00 4.57 2.04 -0.95 -1.77 117.51 122.28 1nf6 h ILE 91 Ca -0.01 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 1nf6 h ILE 91 Cb 1.38 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1nf6 h ILE 91 CO 0.10 0.00 -0.68 1.88 0.00 0.00 0.00 178.15 179.44 1nf6 h TYR 92 N -0.08 0.00 -0.28 1.37 -1.99 -1.57 -1.88 116.97 112.53 1nf6 h TYR 92 Ca 0.02 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.66 1nf6 h TYR 92 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1nf6 h TYR 92 CO -0.12 0.68 -0.20 1.49 -0.00 0.00 0.00 178.16 180.01 1nf6 h GLU 93 N 0.00 0.64 -0.26 4.88 4.81 -1.35 -2.80 114.58 120.49 1nf6 h GLU 93 Ca -0.01 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.78 1nf6 h GLU 93 Cb 1.42 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 1nf6 h GLU 93 CO 0.09 0.90 -0.36 0.77 -0.73 0.00 0.00 179.01 179.68 1nf6 h SER 94 N 0.37 0.77 -0.30 1.04 0.02 -1.36 -2.86 113.55 111.23 1nf6 h SER 94 Ca 0.06 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1nf6 h SER 94 Cb 0.74 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1nf6 h SER 94 CO 0.05 1.12 0.09 0.44 -1.14 0.00 0.00 176.83 177.40 1nf6 h ASP 95 N 0.43 0.43 -0.47 3.07 5.19 -1.40 0.55 116.42 124.23 1nf6 h ASP 95 Ca 0.03 -0.20 0.08 0.00 -0.62 0.00 0.00 57.03 56.31 1nf6 h ASP 95 Cb 0.95 -0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.28 1nf6 h ASP 95 CO 0.08 0.52 0.08 0.00 -3.12 0.00 0.00 179.24 176.81 1nf6 h ALA 96 N 0.93 0.51 -0.54 3.45 0.00 -1.58 0.52 119.26 122.55 1nf6 h ALA 96 Ca 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1nf6 h ALA 96 Cb 0.24 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1nf6 h ALA 96 CO -0.00 -0.32 0.20 -0.44 0.00 0.00 0.00 179.25 178.69 1nf6 h ASP 97 N 0.22 0.71 -0.65 0.00 3.32 -1.20 -1.15 116.42 117.67 1nf6 h ASP 97 Ca 0.23 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1nf6 h ASP 97 Cb 0.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1nf6 h ASP 97 CO -0.31 0.66 0.22 -0.61 -1.72 0.00 0.00 179.24 177.47 1nf6 h GLN 98 N 0.77 1.03 0.03 3.56 4.15 0.20 -1.46 115.11 123.38 1nf6 h GLN 98 Ca 0.18 -0.20 -0.25 0.00 0.77 0.00 0.00 58.65 59.15 1nf6 h GLN 98 Cb 0.18 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.72 1nf6 h GLN 98 CO -0.01 0.87 -1.03 0.93 -1.93 0.00 0.00 178.83 177.66 1nf6 h GLU 99 N 0.99 0.48 -0.77 1.69 4.39 0.61 -2.19 114.58 119.79 1nf6 h GLU 99 Ca 0.22 -0.56 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 1nf6 h GLU 99 Cb 0.27 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1nf6 h GLU 99 CO -0.01 1.20 0.41 0.22 -1.16 0.00 0.00 179.01 179.66 1nf6 h ASP 100 N 0.25 0.97 0.50 1.42 1.82 -1.17 0.34 116.42 120.56 1nf6 h ASP 100 Ca -0.11 -0.11 -0.15 0.00 -0.39 0.00 0.00 57.03 56.27 1nf6 h ASP 100 Cb 1.68 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.43 1nf6 h ASP 100 CO 0.19 0.80 -0.68 0.00 -1.61 0.00 0.00 179.24 177.93 1nf6 h ALA 101 N 1.21 0.80 -0.00 -0.78 0.00 -1.23 -1.08 119.26 118.18 1nf6 h ALA 101 Ca 0.27 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nf6 h ALA 101 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nf6 h ALA 101 CO -0.04 0.80 0.00 1.15 0.00 0.00 0.00 179.25 181.16 1nf6 h THR 102 N 0.11 1.17 -0.84 0.00 2.02 -1.13 -0.55 112.91 113.70 1nf6 h THR 102 Ca -0.01 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1nf6 h THR 102 Cb 1.21 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1nf6 h THR 102 CO 0.10 0.13 0.54 0.40 0.37 0.00 0.00 175.52 177.06 1nf6 h ILE 103 N -0.21 1.15 -0.54 3.11 2.04 -0.81 0.18 117.51 122.43 1nf6 h ILE 103 Ca 0.00 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1nf6 h ILE 103 Cb 0.22 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 1nf6 h ILE 103 CO -0.00 0.19 0.29 -0.33 0.00 0.00 0.00 178.15 178.31 1nf6 h GLU 104 N 1.06 0.55 0.56 2.37 4.39 -1.06 -0.88 114.58 121.58 1nf6 h GLU 104 Ca 0.33 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.97 1nf6 h GLU 104 Cb -0.02 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1nf6 h GLU 104 CO -0.10 0.36 -0.27 0.00 -1.16 0.00 0.00 179.01 177.84 1nf6 h ALA 105 N 1.27 -0.75 -0.45 3.43 0.00 -0.14 -2.72 119.26 119.91 1nf6 h ALA 105 Ca 0.23 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1nf6 h ALA 105 Cb 0.11 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1nf6 h ALA 105 CO -0.14 -0.82 0.32 1.88 0.00 0.00 0.00 179.25 180.49 1nf6 h TYR 106 N -0.95 0.00 -0.26 0.00 -1.99 -0.64 0.76 116.97 113.89 1nf6 h TYR 106 Ca -0.08 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 1nf6 h TYR 106 Cb 0.64 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 1nf6 h TYR 106 CO -0.00 0.00 -0.04 0.77 -0.00 0.00 0.00 178.16 178.89 1nf6 h SER 107 N 0.00 0.37 0.35 3.88 0.02 -0.84 -1.24 113.55 116.09 1nf6 h SER 107 Ca 0.21 -0.07 -0.32 0.00 -0.84 0.00 0.00 61.79 60.77 1nf6 h SER 107 Cb 0.85 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.32 1nf6 h SER 107 CO -0.00 0.46 -1.46 1.56 -1.14 0.00 0.00 176.83 176.25 1nf6 h GLN 108 N 0.38 0.46 -1.00 3.45 4.20 -0.71 -3.23 115.11 118.66 1nf6 h GLN 108 Ca 0.08 -0.79 0.07 0.00 0.06 0.00 0.00 58.65 58.07 1nf6 h GLN 108 Cb 0.31 0.29 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 1nf6 h GLN 108 CO 0.01 1.37 0.64 0.74 -0.67 0.00 0.00 178.83 180.93 1nf6 h PHE 109 N 0.13 1.19 -0.71 2.96 0.05 -1.07 -2.32 116.94 117.17 1nf6 h PHE 109 Ca -0.24 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.62 1nf6 h PHE 109 Cb 2.12 -0.39 -0.04 0.00 2.00 0.00 0.00 35.95 39.63 1nf6 h PHE 109 CO 0.11 0.61 0.44 1.25 -0.18 0.00 0.00 178.31 180.54 1nf6 h LEU 110 N 1.16 0.73 -0.54 1.54 6.46 -1.30 -2.01 115.31 121.35 1nf6 h LEU 110 Ca 0.43 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.23 1nf6 h LEU 110 Cb 0.18 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1nf6 h LEU 110 CO -0.18 0.50 0.30 0.50 -0.62 0.00 0.00 178.44 178.95 1nf6 h LYS 111 N 0.87 0.57 -0.52 1.25 3.64 -1.45 -1.13 116.57 119.80 1nf6 h LYS 111 Ca 0.29 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1nf6 h LYS 111 Cb 0.03 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.66 1nf6 h LYS 111 CO -0.11 0.38 0.20 0.28 -2.27 0.00 0.00 179.45 177.93 1nf6 h VAL 112 N 0.59 0.85 -0.91 2.00 2.07 -1.09 0.16 116.25 119.92 1nf6 h VAL 112 Ca 0.23 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1nf6 h VAL 112 Cb 0.08 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1nf6 h VAL 112 CO -0.13 0.07 0.60 0.00 0.02 0.00 0.00 177.57 178.13 1nf6 h LYS 114 N 1.22 -0.31 -0.71 0.00 1.57 -0.85 1.51 116.57 119.00 1nf6 h LYS 114 Ca 0.34 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.31 1nf6 h LYS 114 Cb -0.12 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1nf6 h LYS 114 CO -0.08 0.03 0.49 0.93 -0.57 0.00 0.00 179.45 180.25 1nf6 h GLU 115 N -0.69 0.20 -0.01 3.15 5.08 -0.35 0.36 114.58 122.32 1nf6 h GLU 115 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1nf6 h GLU 115 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nf6 h GLU 115 CO 0.05 0.13 -0.01 1.04 -1.00 0.00 0.00 179.01 179.23 1nf6 n GLN 116 N -4.41 1.37 -3.05 2.33 1.13 0.19 -4.93 117.38 110.00 1nf6 n GLN 116 Ca 0.14 -0.57 -0.16 0.00 -1.94 0.00 0.00 57.00 54.47 1nf6 n GLN 116 Cb 0.64 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.55 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 1.11 -0.10 3.14 1.08 0.00 0.13 -4.92 105.19 105.63 1nf6 n GLY 117 Ca 0.21 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.04 5.94 0.13 1.61 -1.08 0.51 -4.91 116.67 115.83 1nf6 s ASP 118 Ca 0.32 -3.39 -0.17 0.00 -0.52 0.00 0.00 52.55 48.79 1nf6 s ASP 118 Cb -0.14 -1.94 -0.02 0.00 -1.46 0.00 0.00 42.92 39.36 1nf6 s ASP 118 CO 0.40 -0.27 1.76 0.40 0.52 0.00 0.00 175.17 177.97 1nf6 h ILE 119 N 4.43 1.12 -0.42 4.11 1.08 -1.93 -1.46 117.51 124.43 1nf6 h ILE 119 Ca 0.11 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1nf6 h ILE 119 Cb 0.87 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1nf6 h ILE 119 CO 0.82 0.12 0.22 0.58 -0.69 0.00 0.00 178.15 179.20 1nf6 h VAL 120 N 0.43 1.16 0.00 1.67 2.07 -1.96 -1.92 116.25 117.70 1nf6 h VAL 120 Ca 0.12 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1nf6 h VAL 120 Cb 0.02 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1nf6 h VAL 120 CO -0.02 0.17 -0.59 0.74 0.02 0.00 0.00 177.57 177.89 1nf6 h THR 121 N 0.55 1.37 -0.23 2.57 2.02 -1.94 -2.59 112.91 114.66 1nf6 h THR 121 Ca 0.15 -2.06 -0.08 0.00 0.77 0.00 0.00 66.41 65.19 1nf6 h THR 121 Cb 0.07 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1nf6 h THR 121 CO -0.02 0.58 -0.22 0.00 0.37 0.00 0.00 175.52 176.22 1nf6 h ALA 122 N 1.41 1.19 -0.29 6.16 0.00 -0.86 -2.10 119.26 124.77 1nf6 h ALA 122 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1nf6 h ALA 122 Cb 1.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nf6 h ALA 122 CO 0.08 0.52 -0.41 0.00 0.00 0.00 0.00 179.25 179.43 1nf6 h ARG 123 N 0.38 0.79 -0.81 0.00 2.47 -1.14 0.06 114.38 116.14 1nf6 h ARG 123 Ca 0.06 -0.46 0.12 0.00 -1.26 0.00 0.00 59.98 58.43 1nf6 h ARG 123 Cb 0.60 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.88 1nf6 h ARG 123 CO 0.04 1.09 0.43 1.25 0.56 0.00 0.00 179.97 183.34 1nf6 h LEU 124 N 0.55 0.55 -0.81 3.04 5.85 -1.34 0.22 115.31 123.37 1nf6 h LEU 124 Ca 0.03 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1nf6 h LEU 124 Cb 1.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1nf6 h LEU 124 CO 0.10 0.28 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.69 1nf6 h PHE 125 N 0.67 0.22 -0.42 1.25 -1.00 -1.12 -2.15 116.94 114.39 1nf6 h PHE 125 Ca 0.42 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 61.07 1nf6 h PHE 125 Cb 0.50 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1nf6 h PHE 125 CO -0.09 0.67 0.05 0.93 -1.61 0.00 0.00 178.31 178.26 1nf6 h GLU 126 N 0.14 0.70 -0.13 1.51 5.08 0.98 -1.90 114.58 120.95 1nf6 h GLU 126 Ca 0.00 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 1nf6 h GLU 126 Cb 0.98 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1nf6 h GLU 126 CO 0.08 0.75 -0.52 0.00 -1.00 0.00 0.00 179.01 178.32 1nf6 h ARG 127 N 0.55 0.59 0.00 2.33 3.08 -0.57 -2.95 114.38 117.40 1nf6 h ARG 127 Ca 0.12 -0.45 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 1nf6 h ARG 127 Cb 0.40 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1nf6 h ARG 127 CO 0.01 1.07 -0.27 0.82 -1.07 0.00 0.00 179.97 180.54 1nf6 h ILE 128 N 0.22 1.08 -0.28 2.04 2.04 -1.43 -2.73 117.51 118.46 1nf6 h ILE 128 Ca -0.03 -0.94 -0.17 0.00 1.00 0.00 0.00 64.86 64.72 1nf6 h ILE 128 Cb 1.15 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1nf6 h ILE 128 CO 0.11 0.26 -0.52 0.40 0.00 0.00 0.00 178.15 178.40 1nf6 h ILE 129 N 0.00 1.29 0.00 -0.67 2.04 -1.28 -0.56 117.51 118.32 1nf6 h ILE 129 Ca -0.00 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.11 1nf6 h ILE 129 Cb 0.50 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1nf6 h ILE 129 CO 0.03 0.55 -0.14 -0.33 0.00 0.00 0.00 178.15 178.27 1nf6 h GLU 130 N 0.62 0.00 -0.16 2.37 5.08 -1.33 -0.69 114.58 120.48 1nf6 h GLU 130 Ca 0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1nf6 h GLU 130 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1nf6 h GLU 130 CO 0.11 0.14 -0.48 0.93 -1.00 0.00 0.00 179.01 178.71 1nf6 h GLU 131 N 0.00 0.60 -0.56 2.33 5.08 -1.11 -2.67 114.58 118.25 1nf6 h GLU 131 Ca -0.00 -0.44 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1nf6 h GLU 131 Cb 0.26 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1nf6 h GLU 131 CO 0.02 1.06 0.37 0.93 -1.00 0.00 0.00 179.01 180.39 1nf6 h GLU 132 N 0.26 0.46 -0.58 2.33 4.39 -0.18 0.74 114.58 122.00 1nf6 h GLU 132 Ca -0.02 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1nf6 h GLU 132 Cb 1.10 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1nf6 h GLU 132 CO 0.10 0.30 0.24 0.37 -1.16 0.00 0.00 179.01 178.87 1nf6 h GLN 133 N 0.47 0.86 -0.56 2.33 5.75 -1.03 0.37 115.11 123.31 1nf6 h GLN 133 Ca 0.25 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1nf6 h GLN 133 Cb 0.36 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1nf6 h GLN 133 CO -0.07 0.74 0.32 0.00 -2.65 0.00 0.00 178.83 177.17 1nf6 h ALA 134 N 1.08 0.72 -0.35 3.38 0.00 -0.55 -0.83 119.26 122.71 1nf6 h ALA 134 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nf6 h ALA 134 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nf6 h ALA 134 CO -0.02 0.01 0.21 0.45 0.00 0.00 0.00 179.25 179.90 1nf6 h HIS 135 N 0.62 0.47 0.14 0.00 3.86 -0.86 -1.97 115.15 117.41 1nf6 h HIS 135 Ca 0.24 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1nf6 h HIS 135 Cb 0.08 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1nf6 h HIS 135 CO -0.08 0.35 -0.09 1.25 0.86 0.00 0.00 177.93 180.22 1nf6 h LEU 136 N 0.45 -0.23 -0.86 2.43 5.85 0.08 -1.79 115.31 121.25 1nf6 h LEU 136 Ca 0.13 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1nf6 h LEU 136 Cb 0.02 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1nf6 h LEU 136 CO -0.02 -0.15 0.52 0.74 -0.34 0.00 0.00 178.44 179.19 1nf6 h THR 137 N -0.23 0.97 0.13 1.05 2.02 -1.09 -1.12 112.91 114.65 1nf6 h THR 137 Ca -0.01 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1nf6 h THR 137 Cb 0.20 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1nf6 h THR 137 CO 0.00 0.16 -0.14 0.22 0.37 0.00 0.00 175.52 176.14 1nf6 h TYR 138 N 0.90 -0.35 -0.65 3.16 3.20 -0.98 -1.94 116.97 120.30 1nf6 h TYR 138 Ca 0.40 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.30 1nf6 h TYR 138 Cb 0.29 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1nf6 h TYR 138 CO -0.04 -0.21 0.41 1.88 -1.64 0.00 0.00 178.16 178.56 1nf6 h TYR 139 N -0.30 0.77 -0.42 -3.82 0.99 -0.70 -1.88 116.97 111.60 1nf6 h TYR 139 Ca 0.01 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1nf6 h TYR 139 Cb 0.29 -0.25 -0.05 0.00 1.00 0.00 0.00 36.73 37.72 1nf6 h TYR 139 CO -0.13 0.44 0.13 0.93 -0.00 0.00 0.00 178.16 179.53 1nf6 h GLU 140 N 0.81 0.27 -0.19 4.88 5.08 -1.11 -0.20 114.58 124.12 1nf6 h GLU 140 Ca 0.26 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nf6 h GLU 140 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1nf6 h GLU 140 CO -0.10 0.18 0.10 -0.91 -1.00 0.00 0.00 179.01 177.28 1nf6 h ASN 141 N 0.28 0.23 -0.24 1.42 2.35 -0.80 0.29 115.58 119.11 1nf6 h ASN 141 Ca 0.20 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1nf6 h ASN 141 Cb 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1nf6 h ASN 141 CO -0.22 0.26 0.02 0.40 -1.65 0.00 0.00 177.43 176.23 1nf6 h ILE 142 N 0.19 1.24 -0.74 2.81 1.08 -1.19 0.90 117.51 121.80 1nf6 h ILE 142 Ca 0.07 -0.83 0.16 0.00 -0.39 0.00 0.00 64.86 63.87 1nf6 h ILE 142 Cb 0.08 1.32 -0.11 0.00 -3.07 0.00 0.00 36.82 35.03 1nf6 h ILE 142 CO -0.01 0.26 0.16 1.23 -0.69 0.00 0.00 178.15 179.10 1nf6 h GLY 143 N 0.20 1.01 0.98 5.37 0.00 -0.86 0.23 103.07 109.99 1nf6 h GLY 143 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1nf6 h GLY 143 CO 0.01 -0.22 0.17 1.76 0.00 0.00 0.00 176.54 178.26 1nf6 h SER 144 N 0.24 0.35 -0.83 0.19 0.02 0.30 -2.52 113.55 111.29 1nf6 h SER 144 Ca 0.42 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1nf6 h SER 144 Cb 0.73 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1nf6 h SER 144 CO -0.53 0.30 0.44 0.45 -1.14 0.00 0.00 176.83 176.34 1nf6 h HIS 145 N 0.37 1.17 -0.04 3.45 -0.00 0.15 -0.17 115.15 120.08 1nf6 h HIS 145 Ca 0.10 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 1nf6 h HIS 145 Cb 0.01 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.04 1nf6 h HIS 145 CO -0.04 0.83 -0.44 0.82 -0.00 0.00 0.00 177.93 179.09 1nf6 h ILE 146 N 1.17 1.32 -0.03 2.45 2.04 -0.50 -0.59 117.51 123.37 1nf6 h ILE 146 Ca 0.29 -1.55 -0.11 0.00 1.00 0.00 0.00 64.86 64.49 1nf6 h ILE 146 Cb 0.06 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1nf6 h ILE 146 CO -0.04 0.45 -0.42 0.11 0.00 0.00 0.00 178.15 178.25 1nf6 h LYS 147 N 0.07 0.34 0.00 2.37 1.57 -1.00 -1.42 116.57 118.50 1nf6 h LYS 147 Ca 0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1nf6 h LYS 147 Cb 0.81 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1nf6 h LYS 147 CO 0.06 0.99 -0.51 -0.91 -0.57 0.00 0.00 179.45 178.51 1nf6 h ASN 148 N -0.20 0.00 0.00 0.86 2.35 -0.98 -3.38 115.58 114.23 1nf6 h ASN 148 Ca -0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1nf6 h ASN 148 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1nf6 h ASN 148 CO 0.08 0.07 -0.40 0.18 -1.65 0.00 0.00 177.43 175.72 1nf6 n LEU 149 N -2.24 0.00 0.00 1.61 4.77 -0.24 -5.07 117.00 115.83 1nf6 n LEU 149 Ca 0.03 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1nf6 n LEU 149 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1nf6 n LEU 149 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1nf6 n GLY 150 N 1.08 3.56 0.20 -0.72 0.00 -0.53 -2.66 105.19 106.11 1nf6 n GLY 150 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 -0.05 1.61 3.32 -1.94 -2.36 116.42 117.00 1nf6 h ASP 151 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1nf6 h ASP 151 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1nf6 h ASP 151 CO 0.00 0.34 -0.34 0.74 -1.72 0.00 0.00 179.24 178.26 1nf6 h THR 152 N 0.00 1.29 -0.25 0.35 2.02 -1.93 0.21 112.91 114.59 1nf6 h THR 152 Ca -0.00 -1.46 -0.17 0.00 0.77 0.00 0.00 66.41 65.55 1nf6 h THR 152 Cb 0.77 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1nf6 h THR 152 CO 0.04 0.46 -0.50 0.22 0.37 0.00 0.00 175.52 176.12 1nf6 h TYR 153 N 0.45 0.98 0.00 3.16 3.20 -1.52 -3.18 116.97 120.07 1nf6 h TYR 153 Ca 0.05 -0.36 -0.10 0.00 3.14 0.00 0.00 58.73 61.46 1nf6 h TYR 153 Cb 0.81 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1nf6 h TYR 153 CO 0.03 1.16 -0.50 -0.07 -1.64 0.00 0.00 178.16 177.14 1nf6 h LEU 154 N 0.52 0.00 -1.56 2.82 3.38 -1.35 -2.80 115.31 116.32 1nf6 h LEU 154 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nf6 h LEU 154 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1nf6 h LEU 154 CO 0.11 0.50 0.23 0.00 0.09 0.00 0.00 178.44 179.37 1nf6 h ALA 155 N 1.50 1.68 0.00 1.53 0.00 -0.57 0.11 119.26 123.51 1nf6 h ALA 155 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1nf6 h ALA 155 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nf6 h ALA 155 CO 0.06 0.28 -0.34 -0.22 0.00 0.00 0.00 179.25 179.04 1nf6 h LYS 156 N 0.53 0.00 0.04 0.00 3.64 -1.48 -3.29 116.57 116.01 1nf6 h LYS 156 Ca 0.14 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.19 1nf6 h LYS 156 Cb -0.01 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1nf6 h LYS 156 CO -0.03 0.34 -1.88 -0.89 -2.27 0.00 0.00 179.45 174.73 1nf6 n ILE 157 N -3.38 1.65 -1.69 2.00 2.08 -0.63 -4.78 119.36 114.62 1nf6 n ILE 157 Ca 0.01 -0.74 -0.56 0.00 0.56 0.00 0.00 62.75 62.02 1nf6 n ILE 157 Cb 0.54 -1.26 -0.07 0.00 -0.75 0.00 0.00 39.64 38.11 1nf6 n ILE 157 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nf6 n ALA 158 N -2.74 -0.14 0.00 -1.39 0.00 0.30 -1.52 120.51 115.02 1nf6 n ALA 158 Ca -0.24 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nf6 n ALA 158 Cb 1.06 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 4.00 2.23 3.75 0.00 0.00 -0.80 -5.00 105.19 109.37 1nf6 n GLY 159 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.41 2.96 0.51 2.61 -4.23 -0.58 -4.92 115.64 109.59 1nf6 s THR 160 Ca 0.00 0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.66 1nf6 s THR 160 Cb 0.00 -2.83 -0.06 0.00 1.34 0.00 0.00 72.50 70.95 1nf6 s THR 160 CO 0.00 -0.33 1.37 -2.65 -0.54 0.00 0.00 174.62 172.46 1nf6 n PRO 161 N -3.08 1.85 0.00 3.99 -0.02 -1.26 -3.47 135.00 133.01 1nf6 n PRO 161 Ca 0.11 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 62.29 1nf6 n PRO 161 Cb 0.52 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 1nf6 n PRO 161 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nf6 n SER 162 N -0.69 1.18 -4.61 2.55 3.41 -1.26 -2.73 113.62 111.46 1nf6 n SER 162 Ca 0.09 -1.09 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 1nf6 n SER 162 Cb 0.43 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.08 1.55 -0.24 4.04 2.88 -1.26 -4.21 113.62 116.29 1nf6 n SER 163 Ca 0.03 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.76 1nf6 n SER 163 Cb 0.15 -1.34 0.09 0.00 -0.75 0.00 0.00 64.21 62.36 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 0.04 1.37 0.00 2.46 -2.24 -1.26 -4.88 114.28 109.76 1nf6 n THR 164 Ca 0.08 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 1nf6 n THR 164 Cb 0.35 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.53 -0.04 3.78 3.38 0.00 -1.26 -5.05 105.19 105.46 1nf6 n GLY 165 Ca 0.09 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.23 3.36 0.60 2.61 -1.32 -1.26 -4.94 115.64 114.46 1nf6 s THR 166 Ca 0.00 0.62 -0.19 0.00 -1.21 0.00 0.00 61.69 60.91 1nf6 s THR 166 Cb 0.00 -3.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 1nf6 s THR 166 CO 0.00 -0.40 1.17 0.00 -2.21 0.00 0.00 174.62 173.18 1nf6 n ALA 167 N -2.40 0.84 -1.32 11.08 0.00 -1.26 -4.84 120.51 122.61 1nf6 n ALA 167 Ca 0.10 0.04 -0.55 0.00 0.00 0.00 0.00 53.44 53.02 1nf6 n ALA 167 Cb 0.52 -2.24 -0.12 0.00 0.00 0.00 0.00 19.45 17.61 1nf6 n ALA 167 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nf6 n SER 168 N -1.21 0.77 -4.68 0.00 3.41 -1.26 -4.90 113.62 105.75 1nf6 n SER 168 Ca 0.14 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.87 1nf6 n SER 168 Cb 0.47 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1nf6 n SER 168 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nf6 s LYS 169 N 6.66 4.17 0.00 4.33 2.20 -1.26 -4.93 119.74 130.91 1nf6 s LYS 169 Ca 1.22 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 59.27 1nf6 s LYS 169 Cb -1.39 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 31.21 1nf6 s LYS 169 CO 0.61 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1nf6 n GLY 170 N 4.16 5.86 0.13 5.54 0.00 -1.26 -5.09 105.19 114.53 1nf6 n GLY 170 Ca 0.17 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 0.07 0.51 0.00 1.61 3.57 -2.06 -3.56 116.94 117.08 1nf6 h PHE 171 Ca 0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1nf6 h PHE 171 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1nf6 h PHE 171 CO 0.00 1.57 0.00 1.33 -2.23 0.00 0.00 178.31 178.98