#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 h ARG 5 N 0.00 0.42 -0.41 1.20 2.47 -2.02 0.67 114.38 116.72 1nf4 h ARG 5 Ca 0.00 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 1nf4 h ARG 5 Cb 0.00 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1nf4 h ARG 5 CO 0.00 0.29 -0.07 0.93 0.56 0.00 0.00 179.97 181.68 1nf4 h GLU 6 N 0.43 0.69 -0.10 0.04 3.07 -2.00 -2.55 114.58 114.16 1nf4 h GLU 6 Ca 0.12 -0.20 -0.21 0.00 -0.50 0.00 0.00 59.36 58.57 1nf4 h GLU 6 Cb -0.04 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1nf4 h GLU 6 CO -0.02 0.76 -0.78 0.22 -1.40 0.00 0.00 179.01 177.78 1nf4 h ASP 7 N 0.64 0.71 -1.01 1.42 3.58 -1.90 -0.80 116.42 119.06 1nf4 h ASP 7 Ca 0.12 -0.48 0.02 0.00 0.42 0.00 0.00 57.03 57.11 1nf4 h ASP 7 Cb 0.50 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 1nf4 h ASP 7 CO 0.03 1.26 0.67 0.03 -2.88 0.00 0.00 179.24 178.34 1nf4 h ARG 8 N 0.40 1.29 -0.39 0.28 3.08 -0.72 -1.47 114.38 116.86 1nf4 h ARG 8 Ca -0.05 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1nf4 h ARG 8 Cb 1.39 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1nf4 h ARG 8 CO 0.15 0.86 -0.12 0.87 -1.07 0.00 0.00 179.97 180.65 1nf4 h LYS 9 N 1.33 0.77 -0.64 0.04 1.57 -1.31 -2.66 116.57 115.67 1nf4 h LYS 9 Ca 0.38 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1nf4 h LYS 9 Cb -0.10 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 1nf4 h LYS 9 CO -0.10 0.92 0.37 0.00 -0.57 0.00 0.00 179.45 180.07 1nf4 h ALA 10 N 0.82 0.84 -0.50 3.86 0.00 -0.78 0.15 119.26 123.66 1nf4 h ALA 10 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 10 Cb 0.66 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nf4 h ALA 10 CO 0.04 0.08 -0.05 0.87 0.00 0.00 0.00 179.25 180.19 1nf4 h LYS 11 N 0.71 0.92 -0.32 0.00 1.79 -1.24 -1.90 116.57 116.52 1nf4 h LYS 11 Ca 0.27 -0.32 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 1nf4 h LYS 11 Cb 0.11 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1nf4 h LYS 11 CO -0.15 0.97 -0.26 0.28 -1.08 0.00 0.00 179.45 179.21 1nf4 h VAL 12 N 0.78 1.29 -0.69 0.50 2.07 -1.06 -2.70 116.25 116.44 1nf4 h VAL 12 Ca 0.14 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.33 1nf4 h VAL 12 Cb 0.59 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1nf4 h VAL 12 CO 0.04 0.46 0.46 0.40 0.02 0.00 0.00 177.57 178.94 1nf4 h ILE 13 N 0.52 0.93 -0.49 4.57 2.04 -0.60 0.65 117.51 125.12 1nf4 h ILE 13 Ca 0.06 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1nf4 h ILE 13 Cb 0.83 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1nf4 h ILE 13 CO 0.07 0.11 0.17 -0.08 0.00 0.00 0.00 178.15 178.41 1nf4 h GLU 14 N 0.58 0.76 0.00 2.37 4.81 -1.04 0.53 114.58 122.59 1nf4 h GLU 14 Ca 0.32 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1nf4 h GLU 14 Cb 0.47 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1nf4 h GLU 14 CO -0.11 0.70 -0.58 -0.39 -0.73 0.00 0.00 179.01 177.90 1nf4 h VAL 15 N 0.66 1.22 -0.47 0.32 -1.51 -0.98 -1.78 116.25 113.72 1nf4 h VAL 15 Ca 0.16 -2.14 -0.08 0.00 -1.23 0.00 0.00 66.70 63.41 1nf4 h VAL 15 Cb 0.25 2.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 1nf4 h VAL 15 CO -0.01 0.57 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.81 1nf4 h LEU 16 N 0.00 0.76 -0.48 4.19 3.38 -0.63 -0.41 115.31 122.12 1nf4 h LEU 16 Ca -0.01 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 1nf4 h LEU 16 Cb 1.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1nf4 h LEU 16 CO 0.08 0.84 -0.75 0.78 0.09 0.00 0.00 178.44 179.48 1nf4 h ASN 17 N 0.73 0.13 -0.37 -0.43 2.35 -0.73 -1.72 115.58 115.55 1nf4 h ASN 17 Ca 0.14 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1nf4 h ASN 17 Cb 0.48 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1nf4 h ASN 17 CO 0.02 0.83 -0.30 0.11 -1.65 0.00 0.00 177.43 176.44 1nf4 h LYS 18 N 0.07 0.89 -0.39 0.81 1.57 -1.03 -1.54 116.57 116.94 1nf4 h LYS 18 Ca -0.02 -0.42 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 1nf4 h LYS 18 Cb 1.32 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1nf4 h LYS 18 CO 0.11 1.07 -0.34 0.00 -0.57 0.00 0.00 179.45 179.72 1nf4 h ALA 19 N 0.90 0.66 -0.51 3.86 0.00 -0.98 -2.50 119.26 120.68 1nf4 h ALA 19 Ca 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1nf4 h ALA 19 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1nf4 h ALA 19 CO 0.08 0.67 0.14 -0.09 0.00 0.00 0.00 179.25 180.05 1nf4 h ARG 20 N 0.75 0.77 -0.43 0.00 2.43 -1.25 -0.35 114.38 116.30 1nf4 h ARG 20 Ca 0.07 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1nf4 h ARG 20 Cb 0.91 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1nf4 h ARG 20 CO 0.08 0.68 -0.12 0.00 -1.51 0.00 0.00 179.97 179.11 1nf4 h ALA 21 N 1.41 1.00 -0.59 2.80 0.00 -1.18 0.09 119.26 122.78 1nf4 h ALA 21 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1nf4 h ALA 21 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nf4 h ALA 21 CO -0.01 0.60 0.04 0.52 0.00 0.00 0.00 179.25 180.40 1nf4 h MET 22 N 0.69 1.02 -0.25 0.00 2.86 -0.90 -0.50 114.93 117.86 1nf4 h MET 22 Ca 0.12 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1nf4 h MET 22 Cb 0.59 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1nf4 h MET 22 CO 0.04 0.99 0.14 0.93 1.06 0.00 0.00 176.91 180.06 1nf4 h GLU 23 N 0.92 0.34 -0.87 1.72 4.39 -0.75 -1.11 114.58 119.22 1nf4 h GLU 23 Ca 0.17 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.90 1nf4 h GLU 23 Cb 0.50 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 1nf4 h GLU 23 CO 0.02 0.31 0.57 -0.07 -1.16 0.00 0.00 179.01 178.67 1nf4 h LEU 24 N 0.29 0.86 -0.15 1.33 3.38 -0.93 -0.20 115.31 119.89 1nf4 h LEU 24 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1nf4 h LEU 24 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nf4 h LEU 24 CO -0.01 0.55 0.06 -0.74 0.09 0.00 0.00 178.44 178.39 1nf4 h HIS 25 N 0.97 0.22 -0.78 1.13 2.76 -0.82 -2.86 115.15 115.77 1nf4 h HIS 25 Ca 0.37 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.57 1nf4 h HIS 25 Cb 0.21 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 1nf4 h HIS 25 CO -0.00 0.28 0.49 0.00 -1.30 0.00 0.00 177.93 177.40 1nf4 h ALA 26 N 0.91 1.04 -0.06 5.26 0.00 -0.65 0.17 119.26 125.94 1nf4 h ALA 26 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nf4 h ALA 26 Cb 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1nf4 h ALA 26 CO -0.00 0.27 -0.16 0.82 0.00 0.00 0.00 179.25 180.17 1nf4 h ILE 27 N 0.93 0.59 -0.28 0.00 2.04 -0.93 0.21 117.51 120.07 1nf4 h ILE 27 Ca 0.32 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.02 1nf4 h ILE 27 Cb 0.07 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1nf4 h ILE 27 CO -0.13 0.00 -0.46 0.45 0.00 0.00 0.00 178.15 178.01 1nf4 h HIS 28 N -0.24 0.90 -0.14 1.37 3.86 -1.24 -0.85 115.15 118.81 1nf4 h HIS 28 Ca 0.07 -0.29 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 1nf4 h HIS 28 Cb 0.34 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1nf4 h HIS 28 CO -0.24 1.06 0.05 0.37 0.86 0.00 0.00 177.93 180.03 1nf4 h GLN 29 N 0.59 0.22 -0.47 2.45 5.75 -0.66 -0.12 115.11 122.87 1nf4 h GLN 29 Ca 0.03 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1nf4 h GLN 29 Cb 1.02 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1nf4 h GLN 29 CO 0.10 0.33 -0.15 1.88 -2.65 0.00 0.00 178.83 178.34 1nf4 h TYR 30 N 0.06 1.02 -0.16 3.99 0.99 -0.58 -2.32 116.97 119.98 1nf4 h TYR 30 Ca 0.05 -0.22 -0.11 0.00 2.00 0.00 0.00 58.73 60.45 1nf4 h TYR 30 Cb 0.20 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 1nf4 h TYR 30 CO -0.01 0.99 -0.37 0.52 -0.00 0.00 0.00 178.16 179.29 1nf4 h MET 31 N 0.80 0.34 -0.69 4.88 2.86 -0.99 0.12 114.93 122.25 1nf4 h MET 31 Ca 0.12 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1nf4 h MET 31 Cb 0.69 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1nf4 h MET 31 CO 0.05 0.67 0.43 -0.97 1.06 0.00 0.00 176.91 178.14 1nf4 h ASN 32 N 0.29 0.69 0.51 1.22 -1.24 -0.79 0.03 115.58 116.30 1nf4 h ASN 32 Ca 0.03 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.92 1nf4 h ASN 32 Cb 0.79 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 1nf4 h ASN 32 CO 0.06 0.48 -0.55 1.56 -1.29 0.00 0.00 177.43 177.69 1nf4 h GLN 33 N 0.83 0.05 -0.48 6.67 4.20 -0.84 -2.73 115.11 122.82 1nf4 h GLN 33 Ca 0.28 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1nf4 h GLN 33 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1nf4 h GLN 33 CO -0.11 0.59 0.31 1.25 -0.67 0.00 0.00 178.83 180.20 1nf4 h HIS 34 N 0.04 0.60 -0.65 2.96 2.76 0.06 0.79 115.15 121.71 1nf4 h HIS 34 Ca -0.00 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1nf4 h HIS 34 Cb 0.99 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 1nf4 h HIS 34 CO 0.00 0.37 0.28 1.88 -1.30 0.00 0.00 177.93 179.17 1nf4 h TYR 35 N 0.64 0.93 -0.13 5.26 0.99 -0.77 -0.68 116.97 123.22 1nf4 h TYR 35 Ca 0.17 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 60.74 1nf4 h TYR 35 Cb -0.07 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 37.37 1nf4 h TYR 35 CO -0.04 0.70 -0.40 0.77 -0.00 0.00 0.00 178.16 179.19 1nf4 h SER 36 N 0.92 0.58 -0.33 3.88 0.02 -1.16 -0.59 113.55 116.88 1nf4 h SER 36 Ca 0.22 -0.60 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1nf4 h SER 36 Cb 0.14 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1nf4 h SER 36 CO -0.02 1.08 0.14 -0.07 -1.14 0.00 0.00 176.83 176.81 1nf4 h LEU 37 N 0.12 0.49 -0.23 5.07 3.38 -0.66 0.19 115.31 123.66 1nf4 h LEU 37 Ca -0.01 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1nf4 h LEU 37 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1nf4 h LEU 37 CO 0.09 0.46 -0.53 -0.78 0.09 0.00 0.00 178.44 177.76 1nf4 h ASP 38 N 0.54 0.86 -0.94 -0.43 1.82 -1.06 -1.11 116.42 116.10 1nf4 h ASP 38 Ca 0.13 -0.56 0.10 0.00 -0.39 0.00 0.00 57.03 56.31 1nf4 h ASP 38 Cb 0.13 -0.25 -0.08 0.00 0.68 0.00 0.00 39.33 39.81 1nf4 h ASP 38 CO -0.01 1.27 0.58 -0.78 -1.61 0.00 0.00 179.24 178.68 1nf4 h ASP 39 N 0.50 0.86 0.87 2.28 3.58 -0.61 0.45 116.42 124.34 1nf4 h ASP 39 Ca -0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1nf4 h ASP 39 Cb 1.15 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1nf4 h ASP 39 CO 0.12 0.49 0.00 0.23 -2.88 0.00 0.00 179.24 177.19 1nf4 n MET 40 N -4.64 0.11 -2.93 0.28 2.81 0.63 -4.93 117.12 108.44 1nf4 n MET 40 Ca 0.16 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.95 1nf4 n MET 40 Cb 0.29 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1nf4 n MET 40 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1nf4 n ASP 41 N -1.44 -2.18 -3.91 7.83 2.03 0.15 -4.91 116.55 114.11 1nf4 n ASP 41 Ca 0.09 -0.39 -0.33 0.00 0.52 0.00 0.00 54.79 54.67 1nf4 n ASP 41 Cb 0.31 -3.47 -0.07 0.00 -0.72 0.00 0.00 41.12 37.17 1nf4 n ASP 41 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1nf4 n TYR 42 N -3.07 3.70 -0.07 -0.67 0.53 -0.75 -1.52 117.16 115.32 1nf4 n TYR 42 Ca -0.18 -4.01 -0.07 0.00 -1.02 0.00 0.00 57.90 52.63 1nf4 n TYR 42 Cb 0.61 -0.92 -0.01 0.00 -1.03 0.00 0.00 39.34 37.98 1nf4 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1nf4 h GLY 43 N 5.40 0.16 1.15 2.72 0.00 -1.67 0.73 103.07 111.55 1nf4 h GLY 43 Ca 0.17 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1nf4 h GLY 43 CO 0.88 -0.13 0.16 -2.09 0.00 0.00 0.00 176.54 175.36 1nf4 h GLU 44 N -0.04 1.06 -0.30 4.80 4.81 -1.77 0.14 114.58 123.28 1nf4 h GLU 44 Ca 0.14 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1nf4 h GLU 44 Cb 0.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1nf4 h GLU 44 CO -0.31 0.94 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.75 1nf4 h LEU 45 N 1.01 0.59 -0.61 1.64 3.38 -1.81 -1.52 115.31 117.97 1nf4 h LEU 45 Ca 0.21 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1nf4 h LEU 45 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1nf4 h LEU 45 CO 0.00 0.82 0.40 0.00 0.09 0.00 0.00 178.44 179.76 1nf4 h ALA 46 N 0.78 0.77 0.07 1.53 0.00 -0.52 -1.62 119.26 120.28 1nf4 h ALA 46 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 46 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nf4 h ALA 46 CO 0.03 0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.41 1nf4 h ALA 47 N 1.22 -0.15 -0.32 0.00 0.00 -0.62 -1.63 119.26 117.77 1nf4 h ALA 47 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 47 Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nf4 h ALA 47 CO -0.05 -0.60 -0.22 -0.91 0.00 0.00 0.00 179.25 177.48 1nf4 h ASN 48 N -0.18 0.60 -0.70 0.00 2.35 -1.13 -0.80 115.58 115.73 1nf4 h ASN 48 Ca 0.01 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1nf4 h ASN 48 Cb 0.17 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1nf4 h ASN 48 CO -0.03 0.82 0.42 -0.03 -1.65 0.00 0.00 177.43 176.96 1nf4 h MET 49 N 0.53 0.77 -0.14 0.81 4.05 -1.10 0.60 114.93 120.44 1nf4 h MET 49 Ca 0.08 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.31 1nf4 h MET 49 Cb 0.67 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1nf4 h MET 49 CO 0.05 0.51 -0.53 -0.22 0.23 0.00 0.00 176.91 176.95 1nf4 h LYS 50 N 0.79 0.40 -0.41 0.39 3.64 -0.81 -2.10 116.57 118.47 1nf4 h LYS 50 Ca 0.30 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1nf4 h LYS 50 Cb 0.12 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1nf4 h LYS 50 CO -0.15 0.83 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.74 1nf4 h LEU 51 N 0.31 0.66 -0.51 5.20 3.38 -0.36 -2.01 115.31 121.98 1nf4 h LEU 51 Ca 0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1nf4 h LEU 51 Cb 1.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1nf4 h LEU 51 CO 0.09 0.77 -0.02 0.40 0.09 0.00 0.00 178.44 179.76 1nf4 h ILE 52 N 0.64 1.27 -0.85 1.22 2.04 -0.63 -2.28 117.51 118.92 1nf4 h ILE 52 Ca 0.12 -1.13 0.13 0.00 1.00 0.00 0.00 64.86 64.99 1nf4 h ILE 52 Cb 0.48 0.96 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 1nf4 h ILE 52 CO 0.02 0.40 0.45 0.00 0.00 0.00 0.00 178.15 179.03 1nf4 h ALA 53 N 0.93 1.27 -0.39 1.87 0.00 -1.11 -0.16 119.26 121.68 1nf4 h ALA 53 Ca 0.14 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1nf4 h ALA 53 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nf4 h ALA 53 CO 0.03 -0.04 -0.06 0.82 0.00 0.00 0.00 179.25 180.01 1nf4 h ILE 54 N 0.67 1.23 -1.00 0.00 2.04 -1.14 0.94 117.51 120.25 1nf4 h ILE 54 Ca 0.45 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1nf4 h ILE 54 Cb 0.59 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1nf4 h ILE 54 CO -0.33 0.34 0.66 0.44 0.00 0.00 0.00 178.15 179.26 1nf4 h ASP 55 N 0.60 1.13 -0.24 1.72 3.32 -0.49 -2.08 116.42 120.39 1nf4 h ASP 55 Ca 0.12 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1nf4 h ASP 55 Cb 0.47 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1nf4 h ASP 55 CO 0.02 0.80 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.87 1nf4 h GLU 56 N 1.33 0.67 -0.49 3.56 4.39 -0.23 -0.46 114.58 123.35 1nf4 h GLU 56 Ca 0.38 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1nf4 h GLU 56 Cb -0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1nf4 h GLU 56 CO -0.09 0.79 0.27 0.52 -1.16 0.00 0.00 179.01 179.34 1nf4 h MET 57 N 0.60 0.67 -0.58 2.33 2.86 -0.40 0.33 114.93 120.75 1nf4 h MET 57 Ca 0.10 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1nf4 h MET 57 Cb 0.60 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1nf4 h MET 57 CO 0.04 0.52 0.27 -0.09 1.06 0.00 0.00 176.91 178.72 1nf4 h ARG 58 N 0.64 0.84 -0.31 1.72 2.43 -1.18 -1.06 114.38 117.47 1nf4 h ARG 58 Ca 0.17 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1nf4 h ARG 58 Cb 0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1nf4 h ARG 58 CO -0.03 0.69 0.18 0.45 -1.51 0.00 0.00 179.97 179.75 1nf4 h HIS 59 N 0.79 0.42 -1.00 2.20 3.86 -0.72 0.44 115.15 121.13 1nf4 h HIS 59 Ca 0.20 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.54 1nf4 h HIS 59 Cb 0.13 -0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.38 1nf4 h HIS 59 CO 0.00 0.33 0.62 0.00 0.86 0.00 0.00 177.93 179.74 1nf4 h ALA 60 N 1.05 1.55 -0.27 2.45 0.00 -0.74 0.12 119.26 123.41 1nf4 h ALA 60 Ca 0.11 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 60 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nf4 h ALA 60 CO -0.02 0.14 -0.48 1.49 0.00 0.00 0.00 179.25 180.38 1nf4 h GLU 61 N 0.92 0.81 -0.55 0.00 4.81 -0.72 -1.72 114.58 118.13 1nf4 h GLU 61 Ca 0.52 -0.51 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1nf4 h GLU 61 Cb 0.60 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1nf4 h GLU 61 CO -0.30 1.14 -0.06 -0.91 -0.73 0.00 0.00 179.01 178.14 1nf4 h ASN 62 N 0.57 1.00 -0.22 1.04 -0.26 -0.37 -1.06 115.58 116.28 1nf4 h ASN 62 Ca 0.02 -0.31 -0.00 0.00 -0.56 0.00 0.00 56.30 55.45 1nf4 h ASN 62 Cb 1.09 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.07 1nf4 h ASN 62 CO 0.11 1.08 0.13 -0.26 -1.06 0.00 0.00 177.43 177.43 1nf4 h PHE 63 N 0.91 0.29 -0.79 1.19 0.05 -0.93 -2.31 116.94 115.35 1nf4 h PHE 63 Ca 0.15 -0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.99 1nf4 h PHE 63 Cb 0.61 -0.09 -0.06 0.00 2.00 0.00 0.00 35.95 38.41 1nf4 h PHE 63 CO 0.04 0.24 0.48 0.00 -0.18 0.00 0.00 178.31 178.89 1nf4 h ALA 64 N 1.03 1.06 -0.69 2.45 0.00 -1.15 -0.61 119.26 121.36 1nf4 h ALA 64 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 64 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1nf4 h ALA 64 CO -0.01 0.23 0.18 0.93 0.00 0.00 0.00 179.25 180.58 1nf4 h GLU 65 N 0.90 1.08 -0.30 0.00 5.08 -0.99 -0.58 114.58 119.77 1nf4 h GLU 65 Ca 0.34 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1nf4 h GLU 65 Cb 0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1nf4 h GLU 65 CO -0.16 0.94 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.59 1nf4 h ARG 66 N 1.03 0.60 -0.69 2.33 9.65 -0.98 -1.52 114.38 124.82 1nf4 h ARG 66 Ca 0.22 -0.25 0.12 0.00 -1.10 0.00 0.00 59.98 58.97 1nf4 h ARG 66 Cb 0.34 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.81 1nf4 h ARG 66 CO -0.00 0.82 0.25 0.82 2.80 0.00 0.00 179.97 184.66 1nf4 h ILE 67 N 0.36 0.69 -0.70 1.20 2.04 -0.82 -0.87 117.51 119.41 1nf4 h ILE 67 Ca 0.07 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1nf4 h ILE 67 Cb 0.62 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1nf4 h ILE 67 CO 0.04 0.07 0.19 0.11 0.00 0.00 0.00 178.15 178.56 1nf4 h LYS 68 N 0.40 1.10 -0.61 2.37 1.79 -0.87 0.69 116.57 121.46 1nf4 h LYS 68 Ca 0.37 -0.26 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 1nf4 h LYS 68 Cb 0.53 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1nf4 h LYS 68 CO -0.38 0.97 0.40 0.93 -1.08 0.00 0.00 179.45 180.29 1nf4 h GLU 69 N 1.04 0.68 -0.00 3.15 5.08 -0.18 -1.86 114.58 122.49 1nf4 h GLU 69 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nf4 h GLU 69 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1nf4 h GLU 69 CO -0.00 0.45 -0.17 1.28 -1.00 0.00 0.00 179.01 179.56 1nf4 n LEU 70 N -4.47 0.31 0.00 1.33 4.77 -0.45 -4.92 117.00 113.58 1nf4 n LEU 70 Ca 0.07 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1nf4 n LEU 70 Cb 0.15 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1nf4 n LEU 70 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1nf4 n GLY 71 N 1.41 0.90 2.04 -0.72 0.00 -0.70 -4.93 105.19 103.20 1nf4 n GLY 71 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1nf4 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf4 n GLY 72 N -2.18 1.99 3.18 -0.02 0.00 0.18 -4.99 105.19 103.35 1nf4 n GLY 72 Ca 0.00 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 1nf4 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf4 s GLU 73 N -3.36 3.06 0.06 1.61 2.56 -1.26 -4.27 118.70 117.10 1nf4 s GLU 73 Ca 0.31 -0.83 -0.31 0.00 0.00 0.00 0.00 54.97 54.15 1nf4 s GLU 73 Cb -0.02 -2.50 -0.06 0.00 2.00 0.00 0.00 34.13 33.54 1nf4 s GLU 73 CO 0.20 -0.04 1.26 -2.14 -0.56 0.00 0.00 175.26 173.97 1nf4 s PRO 74 N 0.91 4.39 0.72 4.30 0.02 -1.26 -5.00 135.00 139.07 1nf4 s PRO 74 Ca -0.04 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 62.69 1nf4 s PRO 74 Cb -0.15 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 31.05 1nf4 s PRO 74 CO -0.03 -0.33 1.16 -0.08 -0.33 0.00 0.00 177.00 177.38 1nf4 s THR 75 N 1.22 2.69 0.00 0.99 -1.32 -1.26 -4.98 115.64 112.98 1nf4 s THR 75 Ca 0.60 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 1nf4 s THR 75 Cb -0.31 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 1nf4 s THR 75 CO 0.29 -0.20 0.93 0.35 -2.21 0.00 0.00 174.62 173.78 1nf4 n THR 76 N -2.72 0.86 -4.20 5.08 -2.24 -1.26 -4.93 114.28 104.87 1nf4 n THR 76 Ca 0.12 -0.88 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 1nf4 n THR 76 Cb 0.51 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 1nf4 n THR 76 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nf4 s GLN 77 N -0.86 3.44 0.58 -0.78 -1.52 -1.26 -5.11 119.66 114.15 1nf4 s GLN 77 Ca 0.00 -0.36 -0.14 0.00 -1.95 0.00 0.00 55.36 52.90 1nf4 s GLN 77 Cb 0.00 -2.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.75 1nf4 s GLN 77 CO 0.00 0.52 1.02 -1.59 -0.25 0.00 0.00 175.29 174.99 1nf4 s LYS 78 N -0.35 3.65 -0.21 2.91 -2.85 -1.26 -4.53 119.74 117.10 1nf4 s LYS 78 Ca 0.08 0.93 -0.16 0.00 -1.00 0.00 0.00 55.97 55.81 1nf4 s LYS 78 Cb -0.12 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 33.52 1nf4 s LYS 78 CO 0.02 -0.52 0.42 -2.00 0.10 0.00 0.00 175.35 173.37 1nf4 s GLU 79 N -4.51 4.16 0.69 1.78 2.56 -0.26 -4.93 118.70 118.18 1nf4 s GLU 79 Ca 0.58 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.78 1nf4 s GLU 79 Cb -0.11 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.46 1nf4 s GLU 79 CO 0.41 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.43 1nf4 n GLY 80 N 4.02 -1.77 3.30 -1.50 0.00 -1.26 -4.70 105.19 103.27 1nf4 n GLY 80 Ca -0.07 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 1nf4 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nf4 s LYS 81 N 0.00 1.20 0.08 1.61 0.00 -1.26 -5.08 119.74 116.29 1nf4 s LYS 81 Ca 0.00 -1.50 -0.27 0.00 0.00 0.00 0.00 55.97 54.20 1nf4 s LYS 81 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 37.83 36.86 1nf4 s LYS 81 CO 0.00 0.14 0.84 0.08 0.00 0.00 0.00 175.35 176.42 1nf4 s VAL 82 N -3.02 4.61 -0.18 1.79 1.01 -1.26 -5.05 120.40 118.29 1nf4 s VAL 82 Ca 0.19 1.81 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1nf4 s VAL 82 Cb 0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1nf4 s VAL 82 CO 0.04 0.36 0.32 -0.69 0.00 0.00 0.00 175.10 175.13 1nf4 s VAL 83 N -0.12 5.27 0.40 2.92 1.01 -1.26 -5.10 120.40 123.53 1nf4 s VAL 83 Ca 0.42 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.04 1nf4 s VAL 83 Cb -0.22 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1nf4 s VAL 83 CO 0.26 0.33 0.13 0.42 0.00 0.00 0.00 175.10 176.24 1nf4 s THR 84 N 0.86 2.27 -1.30 3.92 -4.23 -1.26 -4.69 115.64 111.20 1nf4 s THR 84 Ca 0.17 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1nf4 s THR 84 Cb -0.14 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1nf4 s THR 84 CO 0.06 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1nf4 n GLY 85 N -1.15 1.10 3.76 3.99 0.00 -1.26 -4.99 105.19 106.65 1nf4 n GLY 85 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1nf4 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nf4 s GLN 86 N -3.34 4.53 0.68 1.61 -0.21 -1.26 -5.01 119.66 116.66 1nf4 s GLN 86 Ca 0.00 1.92 -0.11 0.00 0.02 0.00 0.00 55.36 57.19 1nf4 s GLN 86 Cb 0.00 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1nf4 s GLN 86 CO 0.00 0.07 1.06 0.00 -2.12 0.00 0.00 175.29 174.30 1nf4 s ALA 87 N -1.18 2.79 0.14 6.09 0.00 -1.26 -4.74 121.76 123.60 1nf4 s ALA 87 Ca 0.46 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 1nf4 s ALA 87 Cb -0.34 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1nf4 s ALA 87 CO 0.44 -1.10 1.64 0.28 0.00 0.00 0.00 175.76 177.02 1nf4 h VAL 88 N -0.63 0.45 -0.89 0.00 2.07 -2.00 0.38 116.25 115.63 1nf4 h VAL 88 Ca -0.44 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.18 1nf4 h VAL 88 Cb 1.22 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1nf4 h VAL 88 CO 0.60 0.00 0.58 -0.65 0.02 0.00 0.00 177.57 178.11 1nf4 h PRO 89 N -0.27 0.85 -0.53 1.57 0.11 -1.98 -2.15 132.00 129.61 1nf4 h PRO 89 Ca 0.11 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 1nf4 h PRO 89 Cb 0.43 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1nf4 h PRO 89 CO -0.31 0.56 -0.12 0.28 -0.21 0.00 0.00 178.00 178.20 1nf4 h VAL 90 N 0.88 1.27 -0.16 3.15 2.07 -1.37 -1.75 116.25 120.34 1nf4 h VAL 90 Ca 0.42 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.72 1nf4 h VAL 90 Cb 0.42 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1nf4 h VAL 90 CO -0.18 0.45 -0.36 0.40 0.02 0.00 0.00 177.57 177.90 1nf4 h ILE 91 N 0.89 0.22 0.00 4.57 2.04 -0.43 -0.88 117.51 123.93 1nf4 h ILE 91 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1nf4 h ILE 91 Cb 0.68 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1nf4 h ILE 91 CO 0.05 0.00 -0.04 1.88 0.00 0.00 0.00 178.15 180.04 1nf4 h TYR 92 N -0.42 0.00 -0.05 1.37 -1.99 -1.40 -2.27 116.97 112.21 1nf4 h TYR 92 Ca 0.10 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.66 1nf4 h TYR 92 Cb 0.58 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.32 1nf4 h TYR 92 CO -0.45 0.04 -0.62 1.49 -0.00 0.00 0.00 178.16 178.62 1nf4 h GLU 93 N 0.00 0.51 -0.14 4.88 4.81 -1.05 -3.03 114.58 120.56 1nf4 h GLU 93 Ca -0.00 -0.48 -0.18 0.00 -0.13 0.00 0.00 59.36 58.57 1nf4 h GLU 93 Cb 0.88 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1nf4 h GLU 93 CO 0.01 1.11 -0.67 0.77 -0.73 0.00 0.00 179.01 179.50 1nf4 h SER 94 N 0.08 0.63 -0.40 1.04 0.02 -1.13 -2.16 113.55 111.65 1nf4 h SER 94 Ca -0.06 -0.39 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 1nf4 h SER 94 Cb 1.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1nf4 h SER 94 CO 0.12 1.13 -0.13 0.44 -1.14 0.00 0.00 176.83 177.25 1nf4 h ASP 95 N 0.39 0.80 -0.39 3.07 3.32 -1.52 0.37 116.42 122.47 1nf4 h ASP 95 Ca -0.02 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.68 1nf4 h ASP 95 Cb 1.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1nf4 h ASP 95 CO 0.12 1.00 0.19 0.00 -1.72 0.00 0.00 179.24 178.84 1nf4 h ALA 96 N 0.83 0.48 -0.78 3.45 0.00 -1.54 0.59 119.26 122.29 1nf4 h ALA 96 Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nf4 h ALA 96 Cb 0.67 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1nf4 h ALA 96 CO 0.05 -0.17 0.49 -0.44 0.00 0.00 0.00 179.25 179.18 1nf4 h ASP 97 N 0.40 0.81 -0.42 0.00 3.32 -1.05 0.46 116.42 119.94 1nf4 h ASP 97 Ca 0.16 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1nf4 h ASP 97 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1nf4 h ASP 97 CO -0.11 0.56 -0.26 -0.61 -1.72 0.00 0.00 179.24 177.10 1nf4 h GLN 98 N 0.96 0.94 -0.52 3.56 4.15 0.19 -0.17 115.11 124.21 1nf4 h GLN 98 Ca 0.31 -0.42 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 1nf4 h GLN 98 Cb 0.02 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1nf4 h GLN 98 CO -0.12 1.08 0.02 0.93 -1.93 0.00 0.00 178.83 178.82 1nf4 h GLU 99 N 0.80 0.90 -0.45 1.69 4.39 0.68 -0.38 114.58 122.20 1nf4 h GLU 99 Ca 0.10 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.53 1nf4 h GLU 99 Cb 0.83 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1nf4 h GLU 99 CO 0.07 0.91 0.29 0.22 -1.16 0.00 0.00 179.01 179.35 1nf4 h ASP 100 N 0.77 0.50 -0.68 1.42 1.82 -0.78 -1.24 116.42 118.24 1nf4 h ASP 100 Ca 0.15 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1nf4 h ASP 100 Cb 0.49 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1nf4 h ASP 100 CO 0.02 0.36 0.31 0.00 -1.61 0.00 0.00 179.24 178.33 1nf4 h ALA 101 N 1.17 1.22 -0.54 -0.78 0.00 -0.91 -1.60 119.26 117.82 1nf4 h ALA 101 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 101 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1nf4 h ALA 101 CO -0.04 0.58 0.27 1.15 0.00 0.00 0.00 179.25 181.21 1nf4 h THR 102 N 1.00 1.20 -0.14 0.00 2.02 -0.54 -1.94 112.91 114.51 1nf4 h THR 102 Ca 0.24 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1nf4 h THR 102 Cb 0.15 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1nf4 h THR 102 CO -0.03 0.22 0.08 0.40 0.37 0.00 0.00 175.52 176.57 1nf4 h ILE 103 N 0.73 1.06 -0.45 3.11 2.04 -0.83 0.16 117.51 123.34 1nf4 h ILE 103 Ca 0.19 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1nf4 h ILE 103 Cb 0.11 0.92 -0.10 0.00 -0.74 0.00 0.00 36.82 37.02 1nf4 h ILE 103 CO -0.02 0.06 -0.26 -0.33 0.00 0.00 0.00 178.15 177.60 1nf4 h GLU 104 N 0.16 -0.16 -0.17 2.37 4.39 -1.19 -0.66 114.58 119.32 1nf4 h GLU 104 Ca 0.05 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1nf4 h GLU 104 Cb 0.02 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1nf4 h GLU 104 CO -0.01 -0.11 0.02 0.00 -1.16 0.00 0.00 179.01 177.75 1nf4 h ALA 105 N 1.04 0.23 -0.02 3.43 0.00 -1.06 -2.62 119.26 120.26 1nf4 h ALA 105 Ca 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 105 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nf4 h ALA 105 CO -0.55 -0.09 -0.11 1.88 0.00 0.00 0.00 179.25 180.38 1nf4 h TYR 106 N 0.06 0.03 -0.22 0.00 -1.99 -0.28 0.18 116.97 114.75 1nf4 h TYR 106 Ca 0.05 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 1nf4 h TYR 106 Cb 0.33 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 1nf4 h TYR 106 CO 0.02 0.15 -0.31 0.77 -0.00 0.00 0.00 178.16 178.79 1nf4 h SER 107 N 0.03 0.46 -0.35 3.88 0.02 -0.95 0.12 113.55 116.76 1nf4 h SER 107 Ca 0.01 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1nf4 h SER 107 Cb 0.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1nf4 h SER 107 CO 0.02 0.75 -0.07 1.56 -1.14 0.00 0.00 176.83 177.95 1nf4 h GLN 108 N 0.39 0.67 -0.77 3.45 1.08 -0.44 -2.52 115.11 116.97 1nf4 h GLN 108 Ca 0.05 -0.25 0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1nf4 h GLN 108 Cb 0.74 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.07 1nf4 h GLN 108 CO 0.06 0.82 0.46 0.74 -0.95 0.00 0.00 178.83 179.96 1nf4 h PHE 109 N 0.46 0.85 -0.47 2.96 0.05 -0.46 -1.86 116.94 118.47 1nf4 h PHE 109 Ca 0.09 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.97 1nf4 h PHE 109 Cb 0.57 -0.27 -0.05 0.00 2.00 0.00 0.00 35.95 38.20 1nf4 h PHE 109 CO 0.05 0.43 0.17 1.25 -0.18 0.00 0.00 178.31 180.02 1nf4 h LEU 110 N 0.85 0.17 -0.77 1.54 6.46 -0.64 -2.22 115.31 120.70 1nf4 h LEU 110 Ca 0.34 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.19 1nf4 h LEU 110 Cb 0.17 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 1nf4 h LEU 110 CO -0.17 0.13 0.48 0.50 -0.62 0.00 0.00 178.44 178.75 1nf4 h LYS 111 N 0.34 0.88 -0.87 1.25 3.64 -0.92 -1.58 116.57 119.32 1nf4 h LYS 111 Ca 0.22 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1nf4 h LYS 111 Cb 0.22 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1nf4 h LYS 111 CO -0.22 0.59 0.55 0.28 -2.27 0.00 0.00 179.45 178.37 1nf4 h VAL 112 N 0.91 1.10 -0.47 2.00 2.07 -0.80 -1.01 116.25 120.06 1nf4 h VAL 112 Ca 0.32 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1nf4 h VAL 112 Cb 0.07 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1nf4 h VAL 112 CO -0.13 0.19 0.23 0.00 0.02 0.00 0.00 177.57 177.87 1nf4 h LYS 114 N 0.62 0.50 -0.54 0.00 1.57 -1.09 0.64 116.57 118.28 1nf4 h LYS 114 Ca 0.16 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1nf4 h LYS 114 Cb 0.12 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1nf4 h LYS 114 CO -0.02 0.33 0.22 0.93 -0.57 0.00 0.00 179.45 180.34 1nf4 h GLU 115 N 0.52 0.77 -0.22 3.15 5.08 -0.90 0.21 114.58 123.20 1nf4 h GLU 115 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1nf4 h GLU 115 Cb -0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1nf4 h GLU 115 CO -0.05 0.64 0.00 1.04 -1.00 0.00 0.00 179.01 179.63 1nf4 n GLN 116 N -4.34 1.55 -3.66 2.33 1.13 -0.16 -4.91 117.38 109.31 1nf4 n GLN 116 Ca 0.04 -0.85 -0.25 0.00 -1.94 0.00 0.00 57.00 54.01 1nf4 n GLN 116 Cb 0.16 -1.22 0.07 0.00 0.11 0.00 0.00 30.24 29.36 1nf4 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf4 n GLY 117 N 0.91 -0.52 3.07 1.08 0.00 0.74 -4.92 105.19 105.55 1nf4 n GLY 117 Ca 0.09 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1nf4 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nf4 s ASP 118 N -3.42 5.07 0.17 1.61 -1.08 0.20 -4.92 116.67 114.30 1nf4 s ASP 118 Ca 0.55 -2.89 -0.13 0.00 -0.52 0.00 0.00 52.55 49.56 1nf4 s ASP 118 Cb -0.25 -1.81 0.07 0.00 -1.46 0.00 0.00 42.92 39.46 1nf4 s ASP 118 CO 0.75 -0.34 1.76 0.40 0.52 0.00 0.00 175.17 178.26 1nf4 h ILE 119 N 5.31 1.20 -0.39 4.11 1.08 -1.92 -1.60 117.51 125.30 1nf4 h ILE 119 Ca -0.03 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 1nf4 h ILE 119 Cb 0.94 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 1nf4 h ILE 119 CO 0.71 0.22 0.08 0.58 -0.69 0.00 0.00 178.15 179.05 1nf4 h VAL 120 N 0.76 1.23 -0.32 1.67 2.07 -1.97 -1.22 116.25 118.48 1nf4 h VAL 120 Ca 0.20 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1nf4 h VAL 120 Cb 0.10 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1nf4 h VAL 120 CO -0.03 0.28 -0.37 0.74 0.02 0.00 0.00 177.57 178.21 1nf4 h THR 121 N 0.48 1.28 -0.35 2.57 2.02 -1.96 -1.74 112.91 115.22 1nf4 h THR 121 Ca 0.12 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 1nf4 h THR 121 Cb 0.33 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1nf4 h THR 121 CO 0.00 0.50 0.04 0.00 0.37 0.00 0.00 175.52 176.43 1nf4 h ALA 122 N 0.97 1.42 -0.15 6.16 0.00 -1.08 -1.17 119.26 125.41 1nf4 h ALA 122 Ca 0.06 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1nf4 h ALA 122 Cb 0.91 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nf4 h ALA 122 CO 0.08 0.41 -0.68 -0.09 0.00 0.00 0.00 179.25 178.97 1nf4 h ARG 123 N 0.51 0.62 -0.20 0.00 9.65 -0.90 -1.03 114.38 123.04 1nf4 h ARG 123 Ca 0.12 -0.47 0.04 0.00 -1.10 0.00 0.00 59.98 58.57 1nf4 h ARG 123 Cb 0.27 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1nf4 h ARG 123 CO 0.00 1.09 -0.03 1.25 2.80 0.00 0.00 179.97 185.08 1nf4 h LEU 124 N 0.44 -0.14 -1.25 3.80 5.85 -0.89 -1.65 115.31 121.47 1nf4 h LEU 124 Ca -0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1nf4 h LEU 124 Cb 1.27 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1nf4 h LEU 124 CO 0.13 -0.05 0.35 -0.26 -0.34 0.00 0.00 178.44 178.28 1nf4 h PHE 125 N 0.03 0.85 0.06 1.25 -1.00 -0.99 -1.94 116.94 115.20 1nf4 h PHE 125 Ca 0.10 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 1nf4 h PHE 125 Cb 0.14 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1nf4 h PHE 125 CO -0.20 0.59 -0.03 1.49 -1.61 0.00 0.00 178.31 178.55 1nf4 h GLU 126 N 0.88 -0.08 -0.57 1.51 4.81 -0.75 0.68 114.58 121.06 1nf4 h GLU 126 Ca 0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1nf4 h GLU 126 Cb 0.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1nf4 h GLU 126 CO -0.04 0.02 0.36 0.00 -0.73 0.00 0.00 179.01 178.62 1nf4 h ARG 127 N -0.16 0.77 -0.31 1.92 3.08 -1.17 -2.62 114.38 115.88 1nf4 h ARG 127 Ca -0.01 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1nf4 h ARG 127 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1nf4 h ARG 127 CO 0.01 0.54 -0.29 0.82 -1.07 0.00 0.00 179.97 179.98 1nf4 h ILE 128 N 0.78 1.28 -0.34 2.04 2.04 -1.20 -2.46 117.51 119.65 1nf4 h ILE 128 Ca 0.21 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1nf4 h ILE 128 Cb -0.05 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1nf4 h ILE 128 CO -0.04 0.45 0.22 0.40 0.00 0.00 0.00 178.15 179.19 1nf4 h ILE 129 N 0.55 1.09 -0.28 -0.67 2.04 -0.68 0.82 117.51 120.38 1nf4 h ILE 129 Ca 0.07 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1nf4 h ILE 129 Cb 0.78 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1nf4 h ILE 129 CO 0.06 0.09 -0.23 -0.33 0.00 0.00 0.00 178.15 177.74 1nf4 h GLU 130 N 0.47 0.53 -0.32 2.37 5.08 -1.08 -2.04 114.58 119.59 1nf4 h GLU 130 Ca 0.13 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 1nf4 h GLU 130 Cb -0.05 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1nf4 h GLU 130 CO -0.03 0.72 -0.50 0.93 -1.00 0.00 0.00 179.01 179.14 1nf4 h GLU 131 N 0.47 0.91 -0.57 2.33 5.08 -0.89 -2.65 114.58 119.25 1nf4 h GLU 131 Ca 0.07 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1nf4 h GLU 131 Cb 0.66 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1nf4 h GLU 131 CO 0.05 1.19 0.37 0.93 -1.00 0.00 0.00 179.01 180.55 1nf4 h GLU 132 N 0.71 0.76 -0.31 2.33 4.39 -0.74 -1.68 114.58 120.03 1nf4 h GLU 132 Ca 0.03 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1nf4 h GLU 132 Cb 1.10 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1nf4 h GLU 132 CO 0.11 0.51 -0.08 0.37 -1.16 0.00 0.00 179.01 178.76 1nf4 h GLN 133 N 0.78 0.51 -0.53 2.33 5.75 -1.16 0.11 115.11 122.89 1nf4 h GLN 133 Ca 0.21 -0.13 -0.12 0.00 -0.15 0.00 0.00 58.65 58.46 1nf4 h GLN 133 Cb -0.08 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1nf4 h GLN 133 CO -0.04 0.60 -0.12 0.00 -2.65 0.00 0.00 178.83 176.61 1nf4 h ALA 134 N 1.44 0.76 -0.11 3.38 0.00 -1.00 -1.85 119.26 121.88 1nf4 h ALA 134 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nf4 h ALA 134 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nf4 h ALA 134 CO 0.02 0.67 0.07 0.45 0.00 0.00 0.00 179.25 180.46 1nf4 h HIS 135 N 0.91 0.15 -0.28 0.00 3.86 -0.64 -2.10 115.15 117.04 1nf4 h HIS 135 Ca 0.14 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 1nf4 h HIS 135 Cb 0.69 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.07 1nf4 h HIS 135 CO 0.05 0.16 -0.03 1.25 0.86 0.00 0.00 177.93 180.21 1nf4 h LEU 136 N 0.11 -0.18 -0.86 2.43 5.85 -0.72 -1.22 115.31 120.71 1nf4 h LEU 136 Ca 0.04 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1nf4 h LEU 136 Cb 0.05 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1nf4 h LEU 136 CO -0.01 -0.06 0.50 0.74 -0.34 0.00 0.00 178.44 179.28 1nf4 h THR 137 N 0.04 0.93 -0.09 1.05 2.02 -1.29 -1.46 112.91 114.11 1nf4 h THR 137 Ca 0.13 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1nf4 h THR 137 Cb 0.19 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1nf4 h THR 137 CO -0.26 0.15 0.04 0.22 0.37 0.00 0.00 175.52 176.05 1nf4 h TYR 138 N 0.85 0.14 -0.70 3.16 3.20 -0.54 -1.63 116.97 121.44 1nf4 h TYR 138 Ca 0.41 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.20 1nf4 h TYR 138 Cb 0.36 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1nf4 h TYR 138 CO -0.05 0.22 0.16 1.88 -1.64 0.00 0.00 178.16 178.73 1nf4 h TYR 139 N 0.02 1.18 -0.93 -3.82 0.99 -0.89 -1.74 116.97 111.78 1nf4 h TYR 139 Ca 0.03 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.64 1nf4 h TYR 139 Cb 0.13 -0.33 -0.05 0.00 1.00 0.00 0.00 36.73 37.48 1nf4 h TYR 139 CO -0.03 0.96 0.61 0.93 -0.00 0.00 0.00 178.16 180.63 1nf4 h GLU 140 N 1.06 1.18 -0.32 4.88 5.08 -1.20 0.94 114.58 126.20 1nf4 h GLU 140 Ca 0.22 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1nf4 h GLU 140 Cb 0.38 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1nf4 h GLU 140 CO 0.00 0.78 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.87 1nf4 h ASN 141 N 1.22 0.58 -0.24 1.42 2.35 -0.48 0.69 115.58 121.11 1nf4 h ASN 141 Ca 0.35 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1nf4 h ASN 141 Cb -0.08 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1nf4 h ASN 141 CO -0.10 0.76 0.06 0.40 -1.65 0.00 0.00 177.43 176.91 1nf4 h ILE 142 N 0.38 1.21 -0.41 2.81 1.08 -1.11 -1.01 117.51 120.46 1nf4 h ILE 142 Ca 0.09 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 1nf4 h ILE 142 Cb 0.48 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1nf4 h ILE 142 CO 0.02 0.22 0.21 1.23 -0.69 0.00 0.00 178.15 179.13 1nf4 h GLY 143 N 0.22 0.59 0.98 5.37 0.00 -0.72 0.94 103.07 110.45 1nf4 h GLY 143 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1nf4 h GLY 143 CO 0.00 0.25 0.14 0.23 0.00 0.00 0.00 176.54 177.16 1nf4 h SER 144 N 0.56 0.77 -0.45 0.19 0.87 -0.53 -0.72 113.55 114.24 1nf4 h SER 144 Ca 0.14 -0.22 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 1nf4 h SER 144 Cb 0.04 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1nf4 h SER 144 CO -0.02 0.79 -0.28 0.45 -0.53 0.00 0.00 176.83 177.24 1nf4 h HIS 145 N 0.71 1.15 -0.68 2.24 -0.00 0.19 0.11 115.15 118.89 1nf4 h HIS 145 Ca 0.16 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1nf4 h HIS 145 Cb 0.31 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1nf4 h HIS 145 CO 0.02 1.14 0.44 0.82 -0.00 0.00 0.00 177.93 180.35 1nf4 h ILE 146 N 0.83 1.18 0.12 2.45 2.04 -0.83 0.46 117.51 123.76 1nf4 h ILE 146 Ca 0.09 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1nf4 h ILE 146 Cb 0.87 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1nf4 h ILE 146 CO 0.08 0.17 -0.06 0.50 0.00 0.00 0.00 178.15 178.85 1nf4 h LYS 147 N 0.92 -0.15 0.00 2.37 3.64 -0.85 -1.03 116.57 121.46 1nf4 h LYS 147 Ca 0.25 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1nf4 h LYS 147 Cb -0.09 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1nf4 h LYS 147 CO -0.05 -0.01 -0.72 -0.91 -2.27 0.00 0.00 179.45 175.50 1nf4 h ASN 148 N -0.27 0.00 0.00 4.20 2.35 -0.62 -3.39 115.58 117.85 1nf4 h ASN 148 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1nf4 h ASN 148 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1nf4 h ASN 148 CO 0.03 0.26 -0.75 0.18 -1.65 0.00 0.00 177.43 175.50 1nf4 n LEU 149 N -2.97 0.03 0.00 1.61 4.77 0.16 -5.07 117.00 115.52 1nf4 n LEU 149 Ca -0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1nf4 n LEU 149 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1nf4 n LEU 149 CO 0.39 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1nf4 n GLY 150 N 1.94 2.99 0.25 -0.72 0.00 -0.39 -2.72 105.19 106.54 1nf4 n GLY 150 Ca -0.00 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1nf4 n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf4 h ASP 151 N 5.48 0.00 -0.58 1.61 3.32 -1.94 -2.12 116.42 122.20 1nf4 h ASP 151 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nf4 h ASP 151 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1nf4 h ASP 151 CO 0.00 0.16 0.35 0.74 -1.72 0.00 0.00 179.24 178.77 1nf4 h THR 152 N 0.00 1.17 -0.16 0.35 2.02 -1.93 0.38 112.91 114.74 1nf4 h THR 152 Ca -0.00 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.67 1nf4 h THR 152 Cb 0.40 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1nf4 h THR 152 CO 0.02 0.18 -0.38 0.22 0.37 0.00 0.00 175.52 175.93 1nf4 h TYR 153 N 0.81 0.69 -0.40 3.16 3.20 -1.50 -3.22 116.97 119.71 1nf4 h TYR 153 Ca 0.21 -0.26 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1nf4 h TYR 153 Cb -0.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1nf4 h TYR 153 CO 0.00 1.00 0.10 -0.07 -1.64 0.00 0.00 178.16 177.56 1nf4 h LEU 154 N 0.17 0.54 -1.44 2.82 3.38 -1.37 -2.41 115.31 117.00 1nf4 h LEU 154 Ca -0.00 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1nf4 h LEU 154 Cb 0.99 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1nf4 h LEU 154 CO 0.08 0.53 0.40 0.00 0.09 0.00 0.00 178.44 179.55 1nf4 h ALA 155 N 1.54 1.65 -0.67 1.53 0.00 -0.94 0.76 119.26 123.14 1nf4 h ALA 155 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 155 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1nf4 h ALA 155 CO -0.00 0.30 0.21 -0.22 0.00 0.00 0.00 179.25 179.53 1nf4 h LYS 156 N 0.74 1.02 0.00 0.00 3.64 -1.48 -3.04 116.57 117.44 1nf4 h LYS 156 Ca 0.24 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1nf4 h LYS 156 Cb 0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1nf4 h LYS 156 CO -0.06 0.87 -0.62 0.82 -2.27 0.00 0.00 179.45 178.19 1nf4 h ILE 157 N 0.98 0.55 -2.31 2.00 1.08 -0.87 -3.44 117.51 115.50 1nf4 h ILE 157 Ca 0.22 -1.83 -0.55 0.00 -0.39 0.00 0.00 64.86 62.30 1nf4 h ILE 157 Cb 0.28 2.18 0.03 0.00 -3.07 0.00 0.00 36.82 36.24 1nf4 h ILE 157 CO -0.01 0.31 1.14 0.00 -0.69 0.00 0.00 178.15 178.91 1nf4 n ALA 158 N -2.23 1.58 -0.80 1.87 0.00 0.05 -1.49 120.51 119.49 1nf4 n ALA 158 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1nf4 n ALA 158 Cb 0.70 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1nf4 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf4 n GLY 159 N 4.36 0.71 3.71 0.00 0.00 -0.57 -4.99 105.19 108.40 1nf4 n GLY 159 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1nf4 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf4 s THR 160 N -2.57 2.69 0.42 2.61 -4.23 -0.56 -4.93 115.64 109.08 1nf4 s THR 160 Ca 0.00 0.22 -0.25 0.00 -1.18 0.00 0.00 61.69 60.48 1nf4 s THR 160 Cb 0.00 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 1nf4 s THR 160 CO 0.00 -0.29 1.30 -2.84 -0.54 0.00 0.00 174.62 172.24 1nf4 s PRO 161 N -4.81 3.89 0.00 3.99 0.02 -1.26 -3.88 135.00 132.95 1nf4 s PRO 161 Ca 0.64 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.89 1nf4 s PRO 161 Cb -0.20 -2.69 0.25 0.00 0.02 0.00 0.00 34.50 31.89 1nf4 s PRO 161 CO 0.58 -0.55 1.19 -1.13 -0.33 0.00 0.00 177.00 176.75 1nf4 n SER 162 N -0.01 2.73 -4.74 2.53 3.41 -1.26 -3.20 113.62 113.08 1nf4 n SER 162 Ca 0.04 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.28 1nf4 n SER 162 Cb 0.44 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1nf4 n SER 162 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nf4 s SER 163 N -0.99 6.55 0.00 4.04 0.15 -1.26 -4.32 113.70 117.87 1nf4 s SER 163 Ca 0.19 2.73 0.17 0.00 0.70 0.00 0.00 55.95 59.75 1nf4 s SER 163 Cb 0.10 -2.62 0.27 0.00 -1.71 0.00 0.00 66.02 62.06 1nf4 s SER 163 CO 0.13 -0.80 1.19 0.35 1.20 0.00 0.00 173.24 175.31 1nf4 n THR 164 N 2.87 0.37 0.00 6.45 -2.24 -1.26 -4.94 114.28 115.52 1nf4 n THR 164 Ca 0.10 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1nf4 n THR 164 Cb 0.39 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1nf4 n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nf4 n GLY 165 N 1.03 0.36 3.67 3.38 0.00 -1.26 -5.04 105.19 107.33 1nf4 n GLY 165 Ca 0.13 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nf4 n THR 166 N 0.00 3.42 -1.50 2.61 -2.24 -1.26 -4.97 114.28 110.34 1nf4 n THR 166 Ca 0.00 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 1nf4 n THR 166 Cb 0.00 -1.39 0.06 0.00 -2.10 0.00 0.00 70.33 66.91 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf4 s ALA 167 N -1.35 2.53 -0.13 6.98 0.00 -1.26 -4.89 121.76 123.64 1nf4 s ALA 167 Ca 0.71 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1nf4 s ALA 167 Cb -0.45 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 1nf4 s ALA 167 CO 0.51 -1.40 0.53 -1.13 0.00 0.00 0.00 175.76 174.27 1nf4 n SER 168 N -3.25 0.23 -4.56 0.00 3.41 -1.26 -4.84 113.62 103.35 1nf4 n SER 168 Ca 0.08 0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.57 1nf4 n SER 168 Cb 0.54 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 1nf4 n SER 168 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nf4 s LYS 169 N 1.39 2.81 0.00 4.33 -2.85 -1.26 -4.91 119.74 119.25 1nf4 s LYS 169 Ca 0.31 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 1nf4 s LYS 169 Cb -0.40 -4.87 0.00 0.00 -2.06 0.00 0.00 37.83 30.50 1nf4 s LYS 169 CO 0.19 -2.91 0.00 0.41 0.10 0.00 0.00 175.35 173.14 1nf4 n GLY 170 N 6.45 6.49 0.07 0.59 0.00 -1.26 -5.10 105.19 112.41 1nf4 n GLY 170 Ca 0.31 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 1nf4 n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nf4 h PHE 171 N 0.23 0.00 0.00 1.61 3.57 -2.05 -3.56 116.94 116.74 1nf4 h PHE 171 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nf4 h PHE 171 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nf4 h PHE 171 CO 0.00 0.22 0.00 1.33 -2.23 0.00 0.00 178.31 177.63