#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 -1.35 -0.13 1.61 0.23 -1.26 -4.74 115.26 109.62 1nf6 n ASN 4 Ca 0.00 -0.56 -0.09 0.00 -0.53 0.00 0.00 54.58 53.40 1nf6 n ASN 4 Cb 0.00 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 37.51 1nf6 n ASN 4 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1nf6 h ARG 5 N 0.00 0.57 -0.74 -3.83 2.47 -2.01 -2.85 114.38 108.00 1nf6 h ARG 5 Ca -0.07 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1nf6 h ARG 5 Cb 0.23 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1nf6 h ARG 5 CO 0.05 0.56 0.36 0.93 0.56 0.00 0.00 179.97 182.43 1nf6 h GLU 6 N 0.47 1.07 -0.45 0.04 3.07 -2.01 -2.64 114.58 114.13 1nf6 h GLU 6 Ca 0.12 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1nf6 h GLU 6 Cb 0.21 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1nf6 h GLU 6 CO -0.01 0.83 0.01 0.38 -1.40 0.00 0.00 179.01 178.83 1nf6 h ASP 7 N 1.04 0.69 -0.42 1.42 3.04 -1.86 -2.57 116.42 117.76 1nf6 h ASP 7 Ca 0.25 -0.15 -0.09 0.00 -3.24 0.00 0.00 57.03 53.80 1nf6 h ASP 7 Cb 0.12 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.21 1nf6 h ASP 7 CO -0.03 0.76 -0.07 0.03 -2.04 0.00 0.00 179.24 177.88 1nf6 h ARG 8 N 0.69 0.80 -0.23 4.15 3.08 -1.27 -1.50 114.38 120.09 1nf6 h ARG 8 Ca 0.14 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1nf6 h ARG 8 Cb 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1nf6 h ARG 8 CO 0.02 0.90 0.09 0.87 -1.07 0.00 0.00 179.97 180.78 1nf6 h LYS 9 N 0.62 0.19 -0.37 0.04 1.57 -1.30 -2.34 116.57 114.98 1nf6 h LYS 9 Ca 0.11 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1nf6 h LYS 9 Cb 0.59 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1nf6 h LYS 9 CO 0.04 0.13 -0.12 0.00 -0.57 0.00 0.00 179.45 178.92 1nf6 h ALA 10 N 1.14 1.09 -0.04 3.86 0.00 -1.33 0.34 119.26 124.32 1nf6 h ALA 10 Ca 0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1nf6 h ALA 10 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1nf6 h ALA 10 CO -0.10 0.56 -0.42 0.87 0.00 0.00 0.00 179.25 180.16 1nf6 h LYS 11 N 0.60 0.09 0.08 0.00 1.57 -1.19 -2.23 116.57 115.49 1nf6 h LYS 11 Ca 0.10 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.57 1nf6 h LYS 11 Cb 0.56 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.88 1nf6 h LYS 11 CO 0.03 0.50 -1.15 0.28 -0.57 0.00 0.00 179.45 178.54 1nf6 h VAL 12 N 0.07 1.35 -0.79 0.50 2.07 -0.65 -3.19 116.25 115.60 1nf6 h VAL 12 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1nf6 h VAL 12 Cb 0.78 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 1nf6 h VAL 12 CO 0.06 0.76 0.50 0.40 0.02 0.00 0.00 177.57 179.32 1nf6 h ILE 13 N 0.24 1.21 -0.02 4.57 2.04 -0.27 -0.72 117.51 124.57 1nf6 h ILE 13 Ca -0.15 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1nf6 h ILE 13 Cb 1.82 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1nf6 h ILE 13 CO 0.21 0.21 -0.03 -0.08 0.00 0.00 0.00 178.15 178.47 1nf6 h GLU 14 N 1.08 -0.04 -0.07 2.37 4.81 -1.43 0.11 114.58 121.41 1nf6 h GLU 14 Ca 0.29 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.35 1nf6 h GLU 14 Cb -0.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1nf6 h GLU 14 CO -0.06 -0.03 -0.70 -0.39 -0.73 0.00 0.00 179.01 177.10 1nf6 h VAL 15 N -0.04 1.39 -0.76 0.32 -1.51 -1.49 -2.19 116.25 111.98 1nf6 h VAL 15 Ca 0.02 -2.14 0.05 0.00 -1.23 0.00 0.00 66.70 63.41 1nf6 h VAL 15 Cb 0.07 2.11 -0.06 0.00 -2.13 0.00 0.00 31.29 31.28 1nf6 h VAL 15 CO -0.04 0.64 0.46 -0.07 -1.23 0.00 0.00 177.57 177.32 1nf6 h LEU 16 N 0.23 0.71 -0.81 4.19 3.38 -0.95 0.81 115.31 122.87 1nf6 h LEU 16 Ca -0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1nf6 h LEU 16 Cb 1.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1nf6 h LEU 16 CO 0.12 0.46 -0.51 0.78 0.09 0.00 0.00 178.44 179.37 1nf6 h ASN 17 N 0.84 0.23 -0.22 -0.43 2.35 -0.59 0.25 115.58 118.01 1nf6 h ASN 17 Ca 0.33 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1nf6 h ASN 17 Cb 0.15 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1nf6 h ASN 17 CO -0.16 0.70 -0.06 0.11 -1.65 0.00 0.00 177.43 176.37 1nf6 h LYS 18 N 0.16 0.43 -0.88 0.81 1.57 -1.03 -0.72 116.57 116.92 1nf6 h LYS 18 Ca 0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1nf6 h LYS 18 Cb 0.96 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1nf6 h LYS 18 CO 0.08 0.68 0.50 0.00 -0.57 0.00 0.00 179.45 180.13 1nf6 h ALA 19 N 0.74 1.22 -0.78 3.86 0.00 -0.58 -1.95 119.26 121.77 1nf6 h ALA 19 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nf6 h ALA 19 Cb 0.52 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1nf6 h ALA 19 CO 0.02 0.64 0.42 -0.09 0.00 0.00 0.00 179.25 180.25 1nf6 h ARG 20 N 1.23 1.10 0.00 0.00 2.43 -0.32 -1.91 114.38 116.92 1nf6 h ARG 20 Ca 0.31 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1nf6 h ARG 20 Cb -0.00 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1nf6 h ARG 20 CO -0.05 0.82 -0.26 0.00 -1.51 0.00 0.00 179.97 178.97 1nf6 h ALA 21 N 1.22 1.56 -0.00 2.80 0.00 -0.50 -0.52 119.26 123.81 1nf6 h ALA 21 Ca 0.27 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1nf6 h ALA 21 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nf6 h ALA 21 CO -0.04 0.32 -0.85 0.52 0.00 0.00 0.00 179.25 179.20 1nf6 h MET 22 N 0.00 0.18 -0.01 0.00 2.86 -0.75 -0.06 114.93 117.15 1nf6 h MET 22 Ca -0.00 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1nf6 h MET 22 Cb 0.46 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1nf6 h MET 22 CO 0.03 0.93 -0.01 0.93 1.06 0.00 0.00 176.91 179.85 1nf6 h GLU 23 N 0.10 0.03 -1.00 1.72 4.39 -0.67 -0.00 114.58 119.14 1nf6 h GLU 23 Ca -0.04 -0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.87 1nf6 h GLU 23 Cb 1.47 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.01 1nf6 h GLU 23 CO 0.13 0.46 0.62 -0.07 -1.16 0.00 0.00 179.01 178.99 1nf6 h LEU 24 N -0.41 0.65 -0.07 1.33 3.38 -1.14 0.11 115.31 119.16 1nf6 h LEU 24 Ca 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1nf6 h LEU 24 Cb 0.46 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nf6 h LEU 24 CO 0.00 0.18 -0.03 -0.74 0.09 0.00 0.00 178.44 177.94 1nf6 h HIS 25 N 0.61 0.17 -0.68 1.13 2.76 -1.05 -3.11 115.15 114.98 1nf6 h HIS 25 Ca 0.59 -0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.81 1nf6 h HIS 25 Cb 1.14 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.99 1nf6 h HIS 25 CO -0.00 0.52 0.31 0.00 -1.30 0.00 0.00 177.93 177.46 1nf6 h ALA 26 N 0.62 0.92 -0.59 5.26 0.00 0.83 0.52 119.26 126.81 1nf6 h ALA 26 Ca 0.02 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nf6 h ALA 26 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1nf6 h ALA 26 CO 0.01 -0.09 0.34 0.82 0.00 0.00 0.00 179.25 180.33 1nf6 h ILE 27 N 0.54 1.02 -0.18 0.00 2.04 -0.88 0.30 117.51 120.36 1nf6 h ILE 27 Ca 0.34 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.80 1nf6 h ILE 27 Cb 0.37 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1nf6 h ILE 27 CO -0.28 0.12 -0.58 0.45 0.00 0.00 0.00 178.15 177.87 1nf6 h HIS 28 N 0.67 0.72 -0.01 1.37 3.86 -1.36 -2.43 115.15 117.97 1nf6 h HIS 28 Ca 0.25 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1nf6 h HIS 28 Cb 0.08 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1nf6 h HIS 28 CO -0.07 1.01 -0.05 0.37 0.86 0.00 0.00 177.93 180.05 1nf6 h GLN 29 N 0.43 0.05 -0.31 2.45 5.75 -0.39 -2.57 115.11 120.52 1nf6 h GLN 29 Ca 0.00 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1nf6 h GLN 29 Cb 1.13 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 1nf6 h GLN 29 CO 0.11 0.71 -0.20 1.88 -2.65 0.00 0.00 178.83 178.68 1nf6 h TYR 30 N -0.60 0.64 -0.11 3.99 0.99 -1.06 -2.55 116.97 118.27 1nf6 h TYR 30 Ca -0.00 -0.13 -0.14 0.00 2.00 0.00 0.00 58.73 60.46 1nf6 h TYR 30 Cb 0.72 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 38.28 1nf6 h TYR 30 CO 0.16 0.74 -0.52 0.52 -0.00 0.00 0.00 178.16 179.06 1nf6 h MET 31 N 0.52 0.31 -0.36 4.88 2.86 -1.50 0.12 114.93 121.76 1nf6 h MET 31 Ca 0.08 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1nf6 h MET 31 Cb 0.63 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1nf6 h MET 31 CO 0.04 0.76 0.21 -0.97 1.06 0.00 0.00 176.91 178.01 1nf6 h ASN 32 N 0.24 0.33 -0.31 1.22 -0.73 -1.17 -0.21 115.58 114.95 1nf6 h ASN 32 Ca 0.01 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 1nf6 h ASN 32 Cb 1.00 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.51 1nf6 h ASN 32 CO 0.08 0.24 -0.11 1.56 -0.37 0.00 0.00 177.43 178.84 1nf6 h GLN 33 N 0.42 0.73 -0.42 6.67 4.20 -1.23 -2.71 115.11 122.78 1nf6 h GLN 33 Ca 0.14 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.69 1nf6 h GLN 33 Cb 0.01 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.66 1nf6 h GLN 33 CO -0.07 0.82 0.03 1.25 -0.67 0.00 0.00 178.83 180.19 1nf6 h HIS 34 N 0.67 0.04 -0.67 2.96 2.76 0.02 0.21 115.15 121.14 1nf6 h HIS 34 Ca 0.12 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1nf6 h HIS 34 Cb 0.57 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 1nf6 h HIS 34 CO 0.03 -0.05 0.44 1.88 -1.30 0.00 0.00 177.93 178.93 1nf6 h TYR 35 N 0.15 0.74 -0.08 5.26 0.99 -0.76 -0.41 116.97 122.86 1nf6 h TYR 35 Ca 0.21 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.93 1nf6 h TYR 35 Cb 0.28 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.76 1nf6 h TYR 35 CO -0.25 0.42 -0.06 0.77 -0.00 0.00 0.00 178.16 179.04 1nf6 h SER 36 N 0.76 0.20 -0.47 3.88 0.02 -0.87 -1.51 113.55 115.57 1nf6 h SER 36 Ca 0.27 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1nf6 h SER 36 Cb 0.12 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1nf6 h SER 36 CO -0.08 0.62 0.22 -0.07 -1.14 0.00 0.00 176.83 176.37 1nf6 h LEU 37 N -0.22 0.66 -0.27 5.07 3.38 -0.25 0.34 115.31 124.02 1nf6 h LEU 37 Ca 0.02 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1nf6 h LEU 37 Cb 0.55 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1nf6 h LEU 37 CO 0.02 0.59 -0.43 -0.78 0.09 0.00 0.00 178.44 177.93 1nf6 h ASP 38 N 0.73 0.85 -0.84 -0.43 3.58 -1.07 -0.46 116.42 118.77 1nf6 h ASP 38 Ca 0.18 -0.52 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1nf6 h ASP 38 Cb 0.13 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 1nf6 h ASP 38 CO -0.02 1.20 0.55 -0.78 -2.88 0.00 0.00 179.24 177.31 1nf6 h ASP 39 N 0.52 0.97 0.57 2.28 3.58 -0.93 -0.66 116.42 122.74 1nf6 h ASP 39 Ca 0.02 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1nf6 h ASP 39 Cb 1.03 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1nf6 h ASP 39 CO 0.10 0.71 0.00 0.23 -2.88 0.00 0.00 179.24 177.40 1nf6 n MET 40 N -4.49 0.06 -3.19 0.28 2.81 0.08 -4.89 117.12 107.77 1nf6 n MET 40 Ca 0.09 0.17 -0.15 0.00 -1.81 0.00 0.00 57.70 55.99 1nf6 n MET 40 Cb 0.02 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.45 -4.14 -4.10 7.83 2.03 -0.26 -4.92 116.55 111.54 1nf6 n ASP 41 Ca 0.05 -0.40 -0.41 0.00 0.52 0.00 0.00 54.79 54.56 1nf6 n ASP 41 Cb 0.20 -3.72 -0.02 0.00 -0.72 0.00 0.00 41.12 36.86 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 -3.94 3.90 -0.23 -0.67 0.53 -0.26 -1.67 117.16 114.82 1nf6 n TYR 42 Ca -0.06 -3.55 -0.11 0.00 -1.02 0.00 0.00 57.90 53.16 1nf6 n TYR 42 Cb 0.57 -1.33 -0.07 0.00 -1.03 0.00 0.00 39.34 37.48 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 5.87 -0.74 0.77 2.72 0.00 -1.65 0.16 103.07 110.21 1nf6 h GLY 43 Ca 0.18 0.68 0.05 0.00 0.00 0.00 0.00 47.33 48.24 1nf6 h GLY 43 CO 1.07 -0.10 0.48 0.83 0.00 0.00 0.00 176.54 178.82 1nf6 h GLU 44 N -0.24 0.88 -0.47 4.80 5.08 -1.76 0.28 114.58 123.14 1nf6 h GLU 44 Ca 0.14 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1nf6 h GLU 44 Cb 0.55 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1nf6 h GLU 44 CO -0.72 0.58 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.72 1nf6 h LEU 45 N 0.90 0.89 -0.39 1.33 3.38 -1.69 -2.58 115.31 117.17 1nf6 h LEU 45 Ca 0.33 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1nf6 h LEU 45 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1nf6 h LEU 45 CO -0.15 1.03 -0.17 0.00 0.09 0.00 0.00 178.44 179.24 1nf6 h ALA 46 N 0.89 0.55 -0.19 1.53 0.00 -0.24 -2.14 119.26 119.66 1nf6 h ALA 46 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1nf6 h ALA 46 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nf6 h ALA 46 CO 0.04 0.48 0.06 0.00 0.00 0.00 0.00 179.25 179.83 1nf6 h ALA 47 N 0.81 0.25 -0.36 0.00 0.00 -0.45 -2.78 119.26 116.73 1nf6 h ALA 47 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1nf6 h ALA 47 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1nf6 h ALA 47 CO 0.05 -0.12 -0.14 -0.91 0.00 0.00 0.00 179.25 178.13 1nf6 h ASN 48 N 0.13 0.63 -0.83 0.00 2.35 -1.48 -1.91 115.58 114.46 1nf6 h ASN 48 Ca 0.06 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1nf6 h ASN 48 Cb 0.24 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1nf6 h ASN 48 CO -0.00 0.79 0.41 -0.03 -1.65 0.00 0.00 177.43 176.95 1nf6 h MET 49 N 0.58 1.19 -0.40 0.81 4.05 -1.32 -0.27 114.93 119.57 1nf6 h MET 49 Ca 0.10 -0.17 -0.14 0.00 -0.28 0.00 0.00 59.70 59.22 1nf6 h MET 49 Cb 0.57 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1nf6 h MET 49 CO 0.04 0.91 -0.29 -0.22 0.23 0.00 0.00 176.91 177.57 1nf6 h LYS 50 N 1.18 0.86 -0.29 0.39 3.64 -1.30 -1.93 116.57 119.12 1nf6 h LYS 50 Ca 0.29 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1nf6 h LYS 50 Cb 0.10 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1nf6 h LYS 50 CO -0.04 1.04 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.86 1nf6 h LEU 51 N 0.73 0.56 -0.41 5.20 3.38 -1.00 0.70 115.31 124.47 1nf6 h LEU 51 Ca 0.08 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1nf6 h LEU 51 Cb 0.85 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1nf6 h LEU 51 CO 0.07 0.80 -0.42 0.40 0.09 0.00 0.00 178.44 179.39 1nf6 h ILE 52 N 0.49 1.28 -0.90 1.22 2.04 -1.02 -2.20 117.51 118.42 1nf6 h ILE 52 Ca 0.07 -1.59 0.03 0.00 1.00 0.00 0.00 64.86 64.37 1nf6 h ILE 52 Cb 0.69 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1nf6 h ILE 52 CO 0.05 0.53 0.58 0.00 0.00 0.00 0.00 178.15 179.31 1nf6 h ALA 53 N 0.80 1.18 -0.33 1.87 0.00 -0.83 -1.01 119.26 120.95 1nf6 h ALA 53 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nf6 h ALA 53 Cb 1.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nf6 h ALA 53 CO 0.10 0.44 -0.02 0.82 0.00 0.00 0.00 179.25 180.59 1nf6 h ILE 54 N 1.13 1.20 -0.97 0.00 2.04 -0.64 -0.95 117.51 119.32 1nf6 h ILE 54 Ca 0.36 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1nf6 h ILE 54 Cb -0.00 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1nf6 h ILE 54 CO -0.12 0.28 0.63 0.44 0.00 0.00 0.00 178.15 179.38 1nf6 h ASP 55 N 0.49 1.07 -0.11 1.72 3.32 -0.57 -1.91 116.42 120.42 1nf6 h ASP 55 Ca 0.10 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1nf6 h ASP 55 Cb 0.35 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1nf6 h ASP 55 CO 0.01 0.74 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.67 1nf6 h GLU 56 N 1.24 0.57 -0.80 3.56 4.39 -0.53 -0.45 114.58 122.58 1nf6 h GLU 56 Ca 0.38 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1nf6 h GLU 56 Cb -0.04 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1nf6 h GLU 56 CO -0.11 0.79 0.52 0.52 -1.16 0.00 0.00 179.01 179.57 1nf6 h MET 57 N 0.50 1.02 -0.28 2.33 2.86 -0.81 0.36 114.93 120.91 1nf6 h MET 57 Ca 0.07 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1nf6 h MET 57 Cb 0.73 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1nf6 h MET 57 CO 0.06 0.68 -0.47 -0.09 1.06 0.00 0.00 176.91 178.14 1nf6 h ARG 58 N 1.05 0.74 -0.31 1.72 2.43 -0.84 -1.62 114.38 117.54 1nf6 h ARG 58 Ca 0.30 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1nf6 h ARG 58 Cb -0.08 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1nf6 h ARG 58 CO -0.08 1.04 0.18 0.45 -1.51 0.00 0.00 179.97 180.05 1nf6 h HIS 59 N 0.58 0.42 -0.72 2.20 3.86 -0.72 0.00 115.15 120.77 1nf6 h HIS 59 Ca 0.03 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1nf6 h HIS 59 Cb 1.03 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.33 1nf6 h HIS 59 CO 0.05 0.33 0.48 0.00 0.86 0.00 0.00 177.93 179.65 1nf6 h ALA 60 N 1.05 1.50 -0.21 2.45 0.00 -0.80 0.12 119.26 123.38 1nf6 h ALA 60 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1nf6 h ALA 60 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1nf6 h ALA 60 CO -0.02 0.46 -0.28 1.49 0.00 0.00 0.00 179.25 180.90 1nf6 h GLU 61 N 0.96 0.55 -0.46 0.00 4.81 -0.92 -1.45 114.58 118.07 1nf6 h GLU 61 Ca 0.27 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 1nf6 h GLU 61 Cb -0.08 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1nf6 h GLU 61 CO -0.06 0.92 -0.19 -0.91 -0.73 0.00 0.00 179.01 178.04 1nf6 h ASN 62 N 0.23 0.91 -0.27 1.04 2.35 -0.65 0.39 115.58 119.58 1nf6 h ASN 62 Ca 0.02 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1nf6 h ASN 62 Cb 0.85 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1nf6 h ASN 62 CO 0.07 1.07 0.14 -0.26 -1.65 0.00 0.00 177.43 176.80 1nf6 h PHE 63 N 0.79 0.26 -0.59 1.19 0.05 -0.72 -2.22 116.94 115.70 1nf6 h PHE 63 Ca 0.11 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1nf6 h PHE 63 Cb 0.73 -0.08 -0.03 0.00 2.00 0.00 0.00 35.95 38.57 1nf6 h PHE 63 CO 0.04 0.15 0.38 0.00 -0.18 0.00 0.00 178.31 178.70 1nf6 h ALA 64 N 1.13 0.74 -0.76 2.45 0.00 -0.89 -1.64 119.26 120.30 1nf6 h ALA 64 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nf6 h ALA 64 Cb 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1nf6 h ALA 64 CO -0.07 0.20 0.48 0.93 0.00 0.00 0.00 179.25 180.79 1nf6 h GLU 65 N 0.79 0.92 -0.42 0.00 5.08 -0.75 -0.76 114.58 119.44 1nf6 h GLU 65 Ca 0.21 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1nf6 h GLU 65 Cb -0.07 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1nf6 h GLU 65 CO -0.04 0.61 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.26 1nf6 h ARG 66 N 0.95 0.89 -0.84 2.33 9.65 -1.05 -0.19 114.38 126.11 1nf6 h ARG 66 Ca 0.30 -0.40 0.10 0.00 -1.10 0.00 0.00 59.98 58.88 1nf6 h ARG 66 Cb -0.01 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.48 1nf6 h ARG 66 CO -0.10 1.05 0.48 0.82 2.80 0.00 0.00 179.97 185.02 1nf6 h ILE 67 N 0.71 0.91 -0.25 1.20 2.04 -1.02 0.16 117.51 121.26 1nf6 h ILE 67 Ca 0.09 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1nf6 h ILE 67 Cb 0.80 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1nf6 h ILE 67 CO 0.07 0.15 0.01 0.11 0.00 0.00 0.00 178.15 178.48 1nf6 h LYS 68 N 0.81 0.44 0.00 2.37 1.79 -0.62 0.15 116.57 121.51 1nf6 h LYS 68 Ca 0.41 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1nf6 h LYS 68 Cb 0.38 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1nf6 h LYS 68 CO -0.25 0.61 -0.01 0.93 -1.08 0.00 0.00 179.45 179.64 1nf6 h GLU 69 N 0.23 0.00 -0.01 3.15 5.08 -0.41 -0.86 114.58 121.75 1nf6 h GLU 69 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nf6 h GLU 69 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nf6 h GLU 69 CO 0.01 0.01 -0.08 1.28 -1.00 0.00 0.00 179.01 179.23 1nf6 n LEU 70 N -3.97 1.17 0.00 1.33 4.77 -0.01 -4.94 117.00 115.35 1nf6 n LEU 70 Ca -0.03 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1nf6 n LEU 70 Cb 0.10 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1nf6 n LEU 70 CO 0.29 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nf6 n GLY 71 N 1.22 0.75 4.01 -0.72 0.00 -0.33 -4.87 105.19 105.24 1nf6 n GLY 71 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.72 1.75 -0.19 -0.02 0.00 0.44 -4.98 107.32 102.60 1nf6 s GLY 72 Ca 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 42.82 1nf6 s GLY 72 CO 0.00 -1.34 -0.09 1.85 0.00 0.00 0.00 173.10 173.52 1nf6 s GLU 73 N -4.98 3.34 0.12 2.90 2.56 -1.26 -4.20 118.70 117.17 1nf6 s GLU 73 Ca 0.65 -0.66 -0.31 0.00 0.00 0.00 0.00 54.97 54.65 1nf6 s GLU 73 Cb -0.05 -2.85 -0.08 0.00 2.00 0.00 0.00 34.13 33.14 1nf6 s GLU 73 CO 0.43 -0.08 1.38 -2.14 -0.56 0.00 0.00 175.26 174.28 1nf6 s PRO 74 N 1.14 4.33 0.80 4.30 0.02 -1.26 -4.98 135.00 139.35 1nf6 s PRO 74 Ca 0.01 2.07 -0.14 0.00 0.02 0.00 0.00 61.00 62.96 1nf6 s PRO 74 Cb -0.14 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.16 1nf6 s PRO 74 CO -0.02 -0.41 0.81 -2.37 -0.33 0.00 0.00 177.00 174.68 1nf6 n THR 75 N 3.78 1.62 -0.09 0.99 5.66 -1.26 -4.95 114.28 120.04 1nf6 n THR 75 Ca 0.11 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1nf6 n THR 75 Cb 0.42 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 1nf6 n THR 75 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1nf6 n THR 76 N -3.00 0.00 -4.16 1.09 -2.24 -1.26 -4.97 114.28 99.75 1nf6 n THR 76 Ca 0.11 -0.45 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 1nf6 n THR 76 Cb 0.51 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 1nf6 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf6 s GLN 77 N -0.15 3.47 0.47 -0.78 -2.07 -1.26 -5.09 119.66 114.25 1nf6 s GLN 77 Ca 0.00 -0.34 -0.16 0.00 -1.82 0.00 0.00 55.36 53.04 1nf6 s GLN 77 Cb 0.00 -3.02 -0.08 0.00 -1.09 0.00 0.00 33.01 28.82 1nf6 s GLN 77 CO 0.00 0.53 0.92 -1.59 -1.32 0.00 0.00 175.29 173.83 1nf6 s LYS 78 N -0.38 3.95 -0.36 9.60 -2.85 -1.26 -4.57 119.74 123.86 1nf6 s LYS 78 Ca 0.09 0.85 -0.17 0.00 -1.00 0.00 0.00 55.97 55.74 1nf6 s LYS 78 Cb -0.12 -2.21 -0.00 0.00 -2.06 0.00 0.00 37.83 33.44 1nf6 s LYS 78 CO 0.02 -0.17 0.44 -2.00 0.10 0.00 0.00 175.35 173.74 1nf6 s GLU 79 N -3.86 3.49 0.00 1.78 2.56 -0.11 -4.93 118.70 117.63 1nf6 s GLU 79 Ca 0.57 -0.38 0.00 0.00 0.00 0.00 0.00 54.97 55.16 1nf6 s GLU 79 Cb -0.10 -3.84 0.00 0.00 2.00 0.00 0.00 34.13 32.19 1nf6 s GLU 79 CO 0.28 -0.64 0.00 0.41 -0.56 0.00 0.00 175.26 174.75 1nf6 n GLY 80 N 4.93 -0.08 3.76 -1.50 0.00 -1.26 -4.73 105.19 106.31 1nf6 n GLY 80 Ca -0.07 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.30 2.80 -0.16 1.61 1.02 -1.26 -5.00 119.74 117.44 1nf6 s LYS 81 Ca 0.00 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 54.99 1nf6 s LYS 81 Cb 0.00 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1nf6 s LYS 81 CO 0.00 0.53 0.61 0.08 -0.92 0.00 0.00 175.35 175.65 1nf6 s VAL 82 N -1.50 5.06 -0.04 3.17 1.01 -1.26 -5.04 120.40 121.79 1nf6 s VAL 82 Ca 0.29 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 1nf6 s VAL 82 Cb -0.11 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1nf6 s VAL 82 CO 0.22 0.17 0.76 -0.69 0.00 0.00 0.00 175.10 175.56 1nf6 s VAL 83 N 1.48 4.98 0.24 2.92 1.01 -1.26 -5.05 120.40 124.72 1nf6 s VAL 83 Ca 0.30 1.59 0.08 0.00 0.00 0.00 0.00 61.98 63.95 1nf6 s VAL 83 Cb -0.16 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1nf6 s VAL 83 CO 0.12 0.24 0.04 0.42 0.00 0.00 0.00 175.10 175.92 1nf6 s THR 84 N 0.76 3.74 -1.51 3.92 -4.23 -1.26 -4.70 115.64 112.36 1nf6 s THR 84 Ca 0.41 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1nf6 s THR 84 Cb -0.19 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1nf6 s THR 84 CO 0.21 -0.31 0.18 0.61 -0.54 0.00 0.00 174.62 174.77 1nf6 n GLY 85 N -0.79 -0.39 3.76 3.99 0.00 -1.26 -4.98 105.19 105.52 1nf6 n GLY 85 Ca -0.07 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -5.14 4.79 0.79 1.61 -0.21 -1.26 -5.04 119.66 115.20 1nf6 s GLN 86 Ca 0.09 1.44 -0.11 0.00 0.02 0.00 0.00 55.36 56.80 1nf6 s GLN 86 Cb -0.04 -3.18 0.07 0.00 1.00 0.00 0.00 33.01 30.86 1nf6 s GLN 86 CO 0.11 0.47 1.09 0.00 -2.12 0.00 0.00 175.29 174.84 1nf6 s ALA 87 N -1.27 2.17 0.20 6.09 0.00 -1.26 -4.71 121.76 122.99 1nf6 s ALA 87 Ca 0.43 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1nf6 s ALA 87 Cb -0.24 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 19.86 1nf6 s ALA 87 CO 0.30 -1.79 1.59 0.28 0.00 0.00 0.00 175.76 176.15 1nf6 h VAL 88 N -1.14 0.20 -0.18 0.00 2.07 -2.00 0.76 116.25 115.97 1nf6 h VAL 88 Ca -0.46 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1nf6 h VAL 88 Cb 1.25 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1nf6 h VAL 88 CO 0.55 0.00 -0.08 -0.65 0.02 0.00 0.00 177.57 177.41 1nf6 h PRO 89 N -0.10 0.28 0.00 1.57 0.11 -1.98 -2.53 132.00 129.34 1nf6 h PRO 89 Ca 0.28 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 1nf6 h PRO 89 Cb 0.55 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1nf6 h PRO 89 CO -0.72 0.37 -0.69 0.28 -0.21 0.00 0.00 178.00 177.04 1nf6 h VAL 90 N 0.27 1.33 0.68 3.15 2.07 -1.26 -2.69 116.25 119.79 1nf6 h VAL 90 Ca 0.06 -2.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 1nf6 h VAL 90 Cb 0.32 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1nf6 h VAL 90 CO 0.02 0.67 -0.39 0.40 0.02 0.00 0.00 177.57 178.29 1nf6 h ILE 91 N 0.00 0.21 0.00 4.57 2.04 -0.73 -0.75 117.51 122.86 1nf6 h ILE 91 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1nf6 h ILE 91 Cb 1.35 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1nf6 h ILE 91 CO 0.09 0.00 -0.22 1.88 0.00 0.00 0.00 178.15 179.90 1nf6 h TYR 92 N -0.99 0.00 -0.07 1.37 -1.99 -1.56 -0.37 116.97 113.35 1nf6 h TYR 92 Ca -0.09 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.59 1nf6 h TYR 92 Cb 0.79 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1nf6 h TYR 92 CO -0.08 0.22 -0.17 1.49 -0.00 0.00 0.00 178.16 179.62 1nf6 h GLU 93 N 0.00 0.24 -0.04 4.88 4.81 -1.42 -2.15 114.58 120.90 1nf6 h GLU 93 Ca -0.00 -0.17 -0.23 0.00 -0.13 0.00 0.00 59.36 58.84 1nf6 h GLU 93 Cb 0.76 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.17 1nf6 h GLU 93 CO 0.03 0.77 -0.90 0.66 -0.73 0.00 0.00 179.01 178.84 1nf6 h SER 94 N -0.24 0.66 -0.71 1.04 4.64 -0.95 -1.96 113.55 116.03 1nf6 h SER 94 Ca -0.00 -0.49 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 1nf6 h SER 94 Cb 0.77 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1nf6 h SER 94 CO 0.04 1.28 0.25 0.44 -0.87 0.00 0.00 176.83 177.97 1nf6 h ASP 95 N 0.32 1.02 -0.20 4.97 5.19 -1.16 0.36 116.42 126.92 1nf6 h ASP 95 Ca -0.08 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 1nf6 h ASP 95 Cb 1.52 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1nf6 h ASP 95 CO 0.16 0.93 0.06 0.00 -3.12 0.00 0.00 179.24 177.27 1nf6 h ALA 96 N 1.20 0.27 -0.82 3.45 0.00 -1.34 -0.93 119.26 121.09 1nf6 h ALA 96 Ca 0.24 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nf6 h ALA 96 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1nf6 h ALA 96 CO -0.01 -0.10 0.54 -0.44 0.00 0.00 0.00 179.25 179.23 1nf6 h ASP 97 N 0.15 0.91 -0.56 0.00 3.32 -1.03 -2.38 116.42 116.84 1nf6 h ASP 97 Ca 0.06 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1nf6 h ASP 97 Cb 0.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1nf6 h ASP 97 CO -0.00 0.65 0.01 -0.61 -1.72 0.00 0.00 179.24 177.57 1nf6 h GLN 98 N 1.08 0.98 -0.00 3.56 4.15 0.03 -0.39 115.11 124.51 1nf6 h GLN 98 Ca 0.31 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 1nf6 h GLN 98 Cb -0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1nf6 h GLN 98 CO -0.09 0.97 -0.44 0.93 -1.93 0.00 0.00 178.83 178.28 1nf6 h GLU 99 N 0.86 0.00 -0.04 1.69 4.39 -1.01 0.12 114.58 120.59 1nf6 h GLU 99 Ca 0.16 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1nf6 h GLU 99 Cb 0.53 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1nf6 h GLU 99 CO 0.03 0.44 -0.17 0.22 -1.16 0.00 0.00 179.01 178.37 1nf6 h ASP 100 N 0.00 0.21 -0.71 1.42 1.82 -1.08 -0.85 116.42 117.24 1nf6 h ASP 100 Ca -0.00 -0.66 0.08 0.00 -0.39 0.00 0.00 57.03 56.06 1nf6 h ASP 100 Cb 0.78 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.66 1nf6 h ASP 100 CO 0.06 0.83 0.38 0.00 -1.61 0.00 0.00 179.24 178.90 1nf6 h ALA 101 N 0.38 0.97 -0.15 -0.78 0.00 -0.89 -1.61 119.26 117.18 1nf6 h ALA 101 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nf6 h ALA 101 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nf6 h ALA 101 CO 0.04 0.01 0.08 1.15 0.00 0.00 0.00 179.25 180.53 1nf6 h THR 102 N 0.66 1.08 -0.84 0.00 2.02 -0.66 0.01 112.91 115.19 1nf6 h THR 102 Ca 0.33 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 67.38 1nf6 h THR 102 Cb 0.29 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 1nf6 h THR 102 CO -0.23 0.08 0.49 0.40 0.37 0.00 0.00 175.52 176.63 1nf6 h ILE 103 N 0.15 0.94 -0.28 3.11 2.04 -0.98 -0.10 117.51 122.39 1nf6 h ILE 103 Ca 0.05 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1nf6 h ILE 103 Cb 0.05 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 1nf6 h ILE 103 CO -0.01 0.15 0.16 -0.33 0.00 0.00 0.00 178.15 178.12 1nf6 h GLU 104 N 0.84 0.32 -0.15 2.37 4.39 -0.64 -0.89 114.58 120.82 1nf6 h GLU 104 Ca 0.39 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 1nf6 h GLU 104 Cb 0.31 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1nf6 h GLU 104 CO -0.23 0.21 -0.04 0.00 -1.16 0.00 0.00 179.01 177.79 1nf6 h ALA 105 N 1.13 0.21 -0.06 3.43 0.00 -0.56 -2.80 119.26 120.60 1nf6 h ALA 105 Ca 0.11 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1nf6 h ALA 105 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nf6 h ALA 105 CO -0.06 -0.04 0.06 1.88 0.00 0.00 0.00 179.25 181.09 1nf6 h TYR 106 N -0.02 0.00 -0.49 0.00 -1.99 -0.91 -0.29 116.97 113.27 1nf6 h TYR 106 Ca 0.04 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1nf6 h TYR 106 Cb 0.47 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.18 1nf6 h TYR 106 CO 0.05 0.00 -0.05 0.77 -0.00 0.00 0.00 178.16 178.93 1nf6 h SER 107 N 0.00 0.83 -0.10 3.88 0.02 -0.89 -0.73 113.55 116.56 1nf6 h SER 107 Ca 0.03 -0.23 -0.23 0.00 -0.84 0.00 0.00 61.79 60.52 1nf6 h SER 107 Cb 0.14 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.47 1nf6 h SER 107 CO -0.00 0.92 -0.84 1.56 -1.14 0.00 0.00 176.83 177.34 1nf6 h GLN 108 N 0.78 0.76 -0.90 3.45 4.20 -0.99 -2.48 115.11 119.92 1nf6 h GLN 108 Ca 0.14 -0.66 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 1nf6 h GLN 108 Cb 0.54 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1nf6 h GLN 108 CO 0.03 1.26 0.55 0.74 -0.67 0.00 0.00 178.83 180.74 1nf6 h PHE 109 N 0.50 1.18 -0.92 2.96 0.05 -1.11 -1.11 116.94 118.48 1nf6 h PHE 109 Ca -0.07 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.76 1nf6 h PHE 109 Cb 1.47 -0.39 -0.06 0.00 2.00 0.00 0.00 35.95 38.97 1nf6 h PHE 109 CO 0.09 0.78 0.60 1.25 -0.18 0.00 0.00 178.31 180.84 1nf6 h LEU 110 N 1.24 0.98 -0.77 1.54 6.46 -1.09 -1.11 115.31 122.56 1nf6 h LEU 110 Ca 0.32 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 58.10 1nf6 h LEU 110 Cb -0.06 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 1nf6 h LEU 110 CO -0.06 0.66 0.50 0.50 -0.62 0.00 0.00 178.44 179.42 1nf6 h LYS 111 N 1.14 0.96 -0.27 1.25 3.64 -0.77 -1.51 116.57 121.01 1nf6 h LYS 111 Ca 0.38 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1nf6 h LYS 111 Cb 0.05 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1nf6 h LYS 111 CO -0.13 0.64 -0.47 0.28 -2.27 0.00 0.00 179.45 177.50 1nf6 h VAL 112 N 0.99 1.29 -0.43 2.00 2.07 -0.36 -1.76 116.25 120.06 1nf6 h VAL 112 Ca 0.29 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1nf6 h VAL 112 Cb -0.05 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1nf6 h VAL 112 CO -0.09 0.53 0.19 0.00 0.02 0.00 0.00 177.57 178.23 1nf6 h LYS 114 N 0.38 0.60 0.00 0.00 1.57 -1.11 -0.27 116.57 117.75 1nf6 h LYS 114 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1nf6 h LYS 114 Cb 0.14 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nf6 h LYS 114 CO -0.16 0.42 -0.01 0.93 -0.57 0.00 0.00 179.45 180.06 1nf6 h GLU 115 N 0.60 0.00 -0.23 3.15 5.08 -0.70 -1.05 114.58 121.43 1nf6 h GLU 115 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nf6 h GLU 115 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nf6 h GLU 115 CO -0.03 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.02 1nf6 n GLN 116 N -4.38 2.00 -3.00 2.33 1.13 -0.03 -4.93 117.38 110.50 1nf6 n GLN 116 Ca -0.03 -1.50 -0.18 0.00 -1.94 0.00 0.00 57.00 53.35 1nf6 n GLN 116 Cb 0.09 -1.44 0.04 0.00 0.11 0.00 0.00 30.24 29.04 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 1.26 -0.26 3.11 1.08 0.00 -0.40 -4.92 105.19 105.05 1nf6 n GLY 117 Ca 0.17 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.90 5.69 0.16 1.61 -1.08 -0.18 -4.91 116.67 115.06 1nf6 s ASP 118 Ca 0.30 -3.32 -0.06 0.00 -0.52 0.00 0.00 52.55 48.95 1nf6 s ASP 118 Cb -0.13 -1.89 0.03 0.00 -1.46 0.00 0.00 42.92 39.46 1nf6 s ASP 118 CO 0.37 -0.28 1.45 0.40 0.52 0.00 0.00 175.17 177.64 1nf6 h ILE 119 N 4.60 1.31 -0.40 4.11 1.08 -1.93 -1.78 117.51 124.50 1nf6 h ILE 119 Ca 0.08 -1.82 -0.01 0.00 -0.39 0.00 0.00 64.86 62.73 1nf6 h ILE 119 Cb 0.88 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 1nf6 h ILE 119 CO 0.79 0.57 0.22 0.58 -0.69 0.00 0.00 178.15 179.62 1nf6 h VAL 120 N 0.50 1.15 -0.27 1.67 2.07 -1.98 -0.48 116.25 118.90 1nf6 h VAL 120 Ca 0.00 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 1nf6 h VAL 120 Cb 1.16 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1nf6 h VAL 120 CO 0.12 0.15 -0.50 0.74 0.02 0.00 0.00 177.57 178.10 1nf6 h THR 121 N 0.51 1.29 -0.79 2.57 2.02 -1.96 -2.62 112.91 113.93 1nf6 h THR 121 Ca 0.14 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1nf6 h THR 121 Cb 0.04 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1nf6 h THR 121 CO -0.02 0.55 0.49 0.00 0.37 0.00 0.00 175.52 176.91 1nf6 h ALA 122 N 0.84 1.39 -0.20 6.16 0.00 -1.11 -1.46 119.26 124.87 1nf6 h ALA 122 Ca 0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1nf6 h ALA 122 Cb 1.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nf6 h ALA 122 CO 0.11 0.54 -0.34 0.00 0.00 0.00 0.00 179.25 179.56 1nf6 h ARG 123 N 1.08 0.43 -0.19 0.00 2.47 -0.96 -1.85 114.38 115.36 1nf6 h ARG 123 Ca 0.29 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1nf6 h ARG 123 Cb -0.08 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1nf6 h ARG 123 CO -0.06 0.72 0.06 1.25 0.56 0.00 0.00 179.97 182.50 1nf6 h LEU 124 N 0.37 0.27 -1.43 3.04 5.85 -1.05 -1.91 115.31 120.45 1nf6 h LEU 124 Ca 0.04 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1nf6 h LEU 124 Cb 0.77 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1nf6 h LEU 124 CO 0.06 0.40 0.25 -0.26 -0.34 0.00 0.00 178.44 178.55 1nf6 h PHE 125 N 0.13 0.62 -0.38 1.25 -1.00 -1.13 -2.05 116.94 114.38 1nf6 h PHE 125 Ca 0.06 -0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.69 1nf6 h PHE 125 Cb 0.22 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1nf6 h PHE 125 CO -0.00 0.44 -0.35 0.93 -1.61 0.00 0.00 178.31 177.72 1nf6 h GLU 126 N 0.65 0.89 -0.31 1.51 5.08 -1.10 -0.95 114.58 120.35 1nf6 h GLU 126 Ca 0.17 -0.45 -0.18 0.00 -1.00 0.00 0.00 59.36 57.90 1nf6 h GLU 126 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nf6 h GLU 126 CO -0.03 1.10 -0.51 0.00 -1.00 0.00 0.00 179.01 178.57 1nf6 h ARG 127 N 0.74 0.88 0.00 2.33 3.08 -1.14 -3.03 114.38 117.23 1nf6 h ARG 127 Ca 0.07 -0.53 -0.15 0.00 0.07 0.00 0.00 59.98 59.44 1nf6 h ARG 127 Cb 0.93 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1nf6 h ARG 127 CO 0.09 1.17 -0.70 0.82 -1.07 0.00 0.00 179.97 180.28 1nf6 h ILE 128 N 0.68 1.35 -0.30 2.04 2.04 -1.37 -2.91 117.51 119.05 1nf6 h ILE 128 Ca 0.03 -2.51 -0.05 0.00 1.00 0.00 0.00 64.86 63.33 1nf6 h ILE 128 Cb 1.11 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 1nf6 h ILE 128 CO 0.12 0.68 -0.01 0.40 0.00 0.00 0.00 178.15 179.34 1nf6 h ILE 129 N 0.00 1.18 -0.00 -0.67 2.04 -1.13 -0.13 117.51 118.80 1nf6 h ILE 129 Ca -0.01 -0.74 -0.13 0.00 1.00 0.00 0.00 64.86 64.99 1nf6 h ILE 129 Cb 1.35 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1nf6 h ILE 129 CO 0.09 0.25 -0.60 -0.33 0.00 0.00 0.00 178.15 177.56 1nf6 h GLU 130 N 0.44 0.01 -0.11 2.37 5.08 -1.40 0.00 114.58 120.98 1nf6 h GLU 130 Ca 0.10 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1nf6 h GLU 130 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nf6 h GLU 130 CO 0.01 0.61 -0.72 0.93 -1.00 0.00 0.00 179.01 178.84 1nf6 h GLU 131 N 0.01 0.52 -0.59 2.33 5.08 -1.18 -2.52 114.58 118.24 1nf6 h GLU 131 Ca -0.01 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1nf6 h GLU 131 Cb 1.07 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1nf6 h GLU 131 CO 0.08 1.04 0.22 0.93 -1.00 0.00 0.00 179.01 180.29 1nf6 h GLU 132 N 0.36 0.86 -0.29 2.33 4.39 -0.67 -1.43 114.58 120.13 1nf6 h GLU 132 Ca -0.03 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1nf6 h GLU 132 Cb 1.31 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1nf6 h GLU 132 CO 0.13 0.71 -0.23 0.37 -1.16 0.00 0.00 179.01 178.83 1nf6 h GLN 133 N 0.84 0.56 -0.61 2.33 5.75 -0.86 -0.91 115.11 122.21 1nf6 h GLN 133 Ca 0.20 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 1nf6 h GLN 133 Cb 0.18 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1nf6 h GLN 133 CO -0.02 0.76 0.04 0.00 -2.65 0.00 0.00 178.83 176.96 1nf6 h ALA 134 N 1.25 0.92 -0.04 3.38 0.00 -0.97 -1.36 119.26 122.44 1nf6 h ALA 134 Ca 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nf6 h ALA 134 Cb 0.67 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nf6 h ALA 134 CO 0.05 0.65 0.01 0.45 0.00 0.00 0.00 179.25 180.42 1nf6 h HIS 135 N 0.96 0.06 -0.39 0.00 3.86 -1.05 -2.06 115.15 116.53 1nf6 h HIS 135 Ca 0.18 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.46 1nf6 h HIS 135 Cb 0.50 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1nf6 h HIS 135 CO 0.03 0.22 -0.00 1.25 0.86 0.00 0.00 177.93 180.29 1nf6 h LEU 136 N -0.12 -0.16 -1.10 2.43 5.85 -1.04 -0.39 115.31 120.78 1nf6 h LEU 136 Ca 0.01 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1nf6 h LEU 136 Cb 0.18 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1nf6 h LEU 136 CO -0.00 -0.04 0.59 0.74 -0.34 0.00 0.00 178.44 179.39 1nf6 h THR 137 N 0.10 1.23 -0.18 1.05 2.02 -1.20 -0.81 112.91 115.14 1nf6 h THR 137 Ca 0.19 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1nf6 h THR 137 Cb 0.27 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1nf6 h THR 137 CO -0.32 0.23 0.12 0.22 0.37 0.00 0.00 175.52 176.13 1nf6 h TYR 138 N 1.23 0.23 -0.44 3.16 3.20 -0.47 -2.48 116.97 121.40 1nf6 h TYR 138 Ca 0.33 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 1nf6 h TYR 138 Cb -0.13 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1nf6 h TYR 138 CO 0.00 0.15 -0.25 1.88 -1.64 0.00 0.00 178.16 178.30 1nf6 h TYR 139 N 0.23 1.10 -0.54 -3.82 0.99 -0.62 -2.53 116.97 111.77 1nf6 h TYR 139 Ca 0.06 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 1nf6 h TYR 139 Cb -0.02 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 37.44 1nf6 h TYR 139 CO -0.06 1.10 0.31 0.93 -0.00 0.00 0.00 178.16 180.44 1nf6 h GLU 140 N 0.78 0.73 -0.16 4.88 5.08 -1.13 -1.07 114.58 123.70 1nf6 h GLU 140 Ca 0.09 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1nf6 h GLU 140 Cb 0.83 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1nf6 h GLU 140 CO 0.07 0.53 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.51 1nf6 h ASN 141 N 0.75 0.44 0.14 1.42 2.35 -1.30 -1.34 115.58 118.02 1nf6 h ASN 141 Ca 0.19 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1nf6 h ASN 141 Cb -0.01 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1nf6 h ASN 141 CO -0.03 0.85 -0.07 0.40 -1.65 0.00 0.00 177.43 176.93 1nf6 h ILE 142 N 0.03 0.96 -0.77 2.81 1.08 -1.22 -2.16 117.51 118.24 1nf6 h ILE 142 Ca 0.02 -0.39 0.10 0.00 -0.39 0.00 0.00 64.86 64.20 1nf6 h ILE 142 Cb 0.74 1.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 1nf6 h ILE 142 CO 0.05 0.09 0.51 1.23 -0.69 0.00 0.00 178.15 179.34 1nf6 h GLY 143 N -0.37 0.99 1.01 5.37 0.00 -1.26 -1.50 103.07 107.30 1nf6 h GLY 143 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1nf6 h GLY 143 CO 0.03 0.17 0.08 0.23 0.00 0.00 0.00 176.54 177.05 1nf6 h SER 144 N 0.69 0.87 0.22 0.19 0.87 -0.99 -0.79 113.55 114.61 1nf6 h SER 144 Ca 0.36 -0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 1nf6 h SER 144 Cb 0.46 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1nf6 h SER 144 CO -0.13 0.91 -0.56 0.45 -0.53 0.00 0.00 176.83 176.97 1nf6 h HIS 145 N 0.79 0.45 -0.49 2.24 -0.00 -0.71 -1.15 115.15 116.28 1nf6 h HIS 145 Ca 0.16 -0.16 -0.12 0.00 -0.00 0.00 0.00 60.37 60.25 1nf6 h HIS 145 Cb 0.42 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 1nf6 h HIS 145 CO 0.03 0.83 -0.16 0.82 -0.00 0.00 0.00 177.93 179.45 1nf6 h ILE 146 N 0.27 1.27 0.03 2.45 2.04 -1.07 0.35 117.51 122.86 1nf6 h ILE 146 Ca 0.00 -1.31 -0.23 0.00 1.00 0.00 0.00 64.86 64.32 1nf6 h ILE 146 Cb 1.07 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1nf6 h ILE 146 CO 0.09 0.45 -1.10 0.07 0.00 0.00 0.00 178.15 177.66 1nf6 h LYS 147 N 0.84 0.07 0.00 2.37 2.10 -1.05 -2.33 116.57 118.57 1nf6 h LYS 147 Ca 0.12 -0.12 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1nf6 h LYS 147 Cb 0.72 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.07 1nf6 h LYS 147 CO 0.06 1.03 -1.47 0.09 -2.00 0.00 0.00 179.45 177.15 1nf6 n ASN 148 N -3.38 0.65 0.00 7.07 3.02 -0.44 -4.73 115.26 117.45 1nf6 n ASN 148 Ca -0.03 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1nf6 n ASN 148 Cb 0.97 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 1nf6 n ASN 148 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nf6 n LEU 149 N -2.72 1.91 0.00 3.41 4.77 0.12 -5.06 117.00 119.43 1nf6 n LEU 149 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1nf6 n LEU 149 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1nf6 n LEU 149 CO 0.43 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1nf6 n GLY 150 N 3.05 0.82 0.23 -0.72 0.00 -0.88 -4.23 105.19 103.47 1nf6 n GLY 150 Ca 0.00 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.42 1.61 5.19 -1.93 -3.09 116.42 118.62 1nf6 h ASP 151 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1nf6 h ASP 151 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1nf6 h ASP 151 CO 0.00 0.04 -0.60 0.74 -3.12 0.00 0.00 179.24 176.30 1nf6 h THR 152 N 0.00 1.40 -0.21 0.35 2.02 -1.99 -2.28 112.91 112.20 1nf6 h THR 152 Ca -0.00 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.14 1nf6 h THR 152 Cb 0.88 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1nf6 h THR 152 CO 0.01 0.58 -0.06 0.22 0.37 0.00 0.00 175.52 176.64 1nf6 h TYR 153 N 0.13 0.46 -0.26 3.16 3.20 -1.82 -3.31 116.97 118.54 1nf6 h TYR 153 Ca -0.01 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 1nf6 h TYR 153 Cb 1.09 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1nf6 h TYR 153 CO 0.02 0.67 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.83 1nf6 h LEU 154 N 0.13 0.54 -2.27 2.82 3.38 -1.46 -2.63 115.31 115.82 1nf6 h LEU 154 Ca 0.05 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1nf6 h LEU 154 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nf6 h LEU 154 CO 0.02 0.82 0.16 0.00 0.09 0.00 0.00 178.44 179.54 1nf6 h ALA 155 N 1.22 1.76 -0.10 1.53 0.00 -1.50 0.32 119.26 122.49 1nf6 h ALA 155 Ca 0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1nf6 h ALA 155 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1nf6 h ALA 155 CO 0.06 -0.24 -0.65 -0.22 0.00 0.00 0.00 179.25 178.20 1nf6 h LYS 156 N 0.00 0.40 0.00 0.00 3.64 -1.57 -3.30 116.57 115.74 1nf6 h LYS 156 Ca 0.07 -0.29 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 1nf6 h LYS 156 Cb 0.40 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1nf6 h LYS 156 CO -0.00 0.92 -0.95 0.82 -2.27 0.00 0.00 179.45 177.96 1nf6 h ILE 157 N 0.29 1.17 -2.07 2.00 1.08 -0.50 -3.44 117.51 116.03 1nf6 h ILE 157 Ca -0.01 -2.74 -0.61 0.00 -0.39 0.00 0.00 64.86 61.11 1nf6 h ILE 157 Cb 1.20 2.55 0.02 0.00 -3.07 0.00 0.00 36.82 37.52 1nf6 h ILE 157 CO 0.11 0.66 1.07 0.00 -0.69 0.00 0.00 178.15 179.31 1nf6 n ALA 158 N -2.33 0.95 -0.65 1.87 0.00 -0.21 -2.10 120.51 118.04 1nf6 n ALA 158 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nf6 n ALA 158 Cb 0.87 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 4.30 0.77 3.76 0.00 0.00 -0.67 -4.99 105.19 108.37 1nf6 n GLY 159 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.81 3.14 0.38 2.61 -4.23 -0.89 -4.92 115.64 108.92 1nf6 s THR 160 Ca 0.00 0.37 -0.27 0.00 -1.18 0.00 0.00 61.69 60.61 1nf6 s THR 160 Cb 0.00 -2.94 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1nf6 s THR 160 CO 0.00 -0.48 1.40 -2.84 -0.54 0.00 0.00 174.62 172.16 1nf6 s PRO 161 N -4.98 4.08 0.00 3.99 0.02 -1.26 -3.68 135.00 133.18 1nf6 s PRO 161 Ca 0.61 2.38 0.15 0.00 0.02 0.00 0.00 61.00 64.17 1nf6 s PRO 161 Cb -0.16 -2.91 0.20 0.00 0.02 0.00 0.00 34.50 31.64 1nf6 s PRO 161 CO 0.56 -0.48 1.08 -1.13 -0.33 0.00 0.00 177.00 176.70 1nf6 n SER 162 N 0.39 2.53 -4.70 2.53 3.41 -1.26 -3.04 113.62 113.48 1nf6 n SER 162 Ca 0.02 -1.73 -0.43 0.00 -0.26 0.00 0.00 58.87 56.47 1nf6 n SER 162 Cb 0.41 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.86 2.95 -0.65 4.04 2.88 -1.26 -4.16 113.62 118.28 1nf6 n SER 163 Ca 0.11 1.18 0.07 0.00 -1.33 0.00 0.00 58.87 58.89 1nf6 n SER 163 Cb 0.41 -1.48 0.11 0.00 -0.75 0.00 0.00 64.21 62.50 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 1.17 0.40 0.00 2.46 -2.24 -1.26 -4.87 114.28 109.94 1nf6 n THR 164 Ca 0.08 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1nf6 n THR 164 Cb 0.35 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 0.78 0.35 3.76 3.38 0.00 -1.26 -5.04 105.19 107.15 1nf6 n GLY 165 Ca 0.11 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.09 2.21 0.54 2.61 -1.32 -1.26 -4.91 115.64 113.41 1nf6 s THR 166 Ca 0.00 0.16 -0.22 0.00 -1.21 0.00 0.00 61.69 60.42 1nf6 s THR 166 Cb 0.00 -3.08 -0.05 0.00 -1.51 0.00 0.00 72.50 67.86 1nf6 s THR 166 CO 0.00 0.00 1.36 0.00 -2.21 0.00 0.00 174.62 173.77 1nf6 s ALA 167 N -1.31 2.84 -0.46 11.08 0.00 -1.26 -4.84 121.76 127.80 1nf6 s ALA 167 Ca 0.68 1.34 -0.45 0.00 0.00 0.00 0.00 51.96 53.54 1nf6 s ALA 167 Cb -0.40 -3.57 -0.19 0.00 0.00 0.00 0.00 23.12 18.97 1nf6 s ALA 167 CO 0.48 -1.36 1.82 -1.13 0.00 0.00 0.00 175.76 175.56 1nf6 n SER 168 N -0.99 1.26 -4.68 0.00 3.41 -1.26 -4.88 113.62 106.49 1nf6 n SER 168 Ca 0.10 0.98 -0.46 0.00 -0.26 0.00 0.00 58.87 59.22 1nf6 n SER 168 Cb 0.45 -0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 63.42 1nf6 n SER 168 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1nf6 n LYS 169 N 5.49 2.37 -1.22 4.33 0.00 -1.26 -4.93 118.16 122.94 1nf6 n LYS 169 Ca 0.38 0.87 0.00 0.00 -0.00 0.00 0.00 58.31 59.56 1nf6 n LYS 169 Cb -0.02 -2.73 0.00 0.00 -0.00 0.00 0.00 35.03 32.29 1nf6 n LYS 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nf6 n GLY 170 N 4.28 4.99 0.12 2.58 0.00 -1.26 -5.09 105.19 110.81 1nf6 n GLY 170 Ca 0.21 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 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 0.61 0.49 0.00 1.61 3.57 -2.05 -3.56 116.94 117.60 1nf6 h PHE 171 Ca 0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 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 1.49 0.00 1.33 -2.23 0.00 0.00 178.31 178.90