#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 s ASN 4 N 0.00 4.69 0.14 1.61 2.20 -1.26 -4.78 114.94 117.55 1nf4 s ASN 4 Ca 0.00 0.51 -0.28 0.00 -0.94 0.00 0.00 52.86 52.16 1nf4 s ASN 4 Cb 0.00 -1.11 -0.02 0.00 -2.00 0.00 0.00 41.25 38.12 1nf4 s ASN 4 CO 0.00 -1.71 1.58 0.03 -2.94 0.00 0.00 177.10 174.06 1nf4 h ARG 5 N -0.73 -0.38 -0.92 3.55 2.47 -2.00 0.95 114.38 117.31 1nf4 h ARG 5 Ca -0.45 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.31 1nf4 h ARG 5 Cb 1.32 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 29.68 1nf4 h ARG 5 CO 0.61 -0.25 0.60 0.93 0.56 0.00 0.00 179.97 182.42 1nf4 h GLU 6 N -0.39 1.21 -0.38 0.04 3.07 -2.00 -1.97 114.58 114.17 1nf4 h GLU 6 Ca 0.11 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 1nf4 h GLU 6 Cb 0.60 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1nf4 h GLU 6 CO -0.49 0.81 -0.28 -0.44 -1.40 0.00 0.00 179.01 177.21 1nf4 h ASP 7 N 1.25 0.82 -0.74 1.42 3.32 -1.66 -1.43 116.42 119.39 1nf4 h ASP 7 Ca 0.34 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1nf4 h ASP 7 Cb -0.13 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 1nf4 h ASP 7 CO -0.07 1.05 0.29 0.03 -1.72 0.00 0.00 179.24 178.81 1nf4 h ARG 8 N 0.68 1.11 -0.46 3.56 3.08 -0.15 -1.19 114.38 121.00 1nf4 h ARG 8 Ca 0.08 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1nf4 h ARG 8 Cb 0.81 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1nf4 h ARG 8 CO 0.07 0.91 -0.05 0.87 -1.07 0.00 0.00 179.97 180.70 1nf4 h LYS 9 N 1.06 0.85 -0.44 0.04 1.57 -1.15 -2.84 116.57 115.66 1nf4 h LYS 9 Ca 0.25 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1nf4 h LYS 9 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nf4 h LYS 9 CO -0.02 0.93 0.18 0.00 -0.57 0.00 0.00 179.45 179.97 1nf4 h ALA 10 N 0.90 0.57 -0.36 3.86 0.00 -0.93 0.52 119.26 123.82 1nf4 h ALA 10 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nf4 h ALA 10 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nf4 h ALA 10 CO 0.03 0.17 -0.08 0.87 0.00 0.00 0.00 179.25 180.25 1nf4 h LYS 11 N 0.57 0.60 -0.12 0.00 1.57 -1.23 -1.26 116.57 116.70 1nf4 h LYS 11 Ca 0.15 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 1nf4 h LYS 11 Cb 0.18 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1nf4 h LYS 11 CO -0.01 0.68 -0.84 0.28 -0.57 0.00 0.00 179.45 178.99 1nf4 h VAL 12 N 0.56 1.28 -0.65 0.50 2.07 -1.18 -2.82 116.25 116.00 1nf4 h VAL 12 Ca 0.11 -2.04 0.09 0.00 0.82 0.00 0.00 66.70 65.68 1nf4 h VAL 12 Cb 0.47 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 1nf4 h VAL 12 CO 0.03 0.64 0.43 0.40 0.02 0.00 0.00 177.57 179.09 1nf4 h ILE 13 N 0.51 0.93 -0.36 4.57 2.04 0.26 -0.87 117.51 124.58 1nf4 h ILE 13 Ca -0.07 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 1nf4 h ILE 13 Cb 1.47 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1nf4 h ILE 13 CO 0.17 0.10 -0.18 -0.08 0.00 0.00 0.00 178.15 178.16 1nf4 h GLU 14 N 0.53 0.75 0.00 2.37 4.81 -1.01 -1.43 114.58 120.59 1nf4 h GLU 14 Ca 0.30 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1nf4 h GLU 14 Cb 0.47 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1nf4 h GLU 14 CO -0.09 0.94 -0.49 -0.39 -0.73 0.00 0.00 179.01 178.25 1nf4 h VAL 15 N 0.54 1.07 -0.44 0.32 -1.51 -1.20 -2.52 116.25 112.50 1nf4 h VAL 15 Ca 0.08 -1.86 -0.11 0.00 -1.23 0.00 0.00 66.70 63.58 1nf4 h VAL 15 Cb 0.72 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.95 1nf4 h VAL 15 CO 0.05 0.48 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.64 1nf4 h LEU 16 N 0.00 0.84 -0.56 4.19 3.38 -0.97 -1.67 115.31 120.52 1nf4 h LEU 16 Ca -0.00 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 1nf4 h LEU 16 Cb 1.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1nf4 h LEU 16 CO 0.06 1.00 -0.71 0.78 0.09 0.00 0.00 178.44 179.66 1nf4 h ASN 17 N 0.74 0.09 -0.48 -0.43 2.35 -1.18 -0.51 115.58 116.17 1nf4 h ASN 17 Ca 0.11 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1nf4 h ASN 17 Cb 0.68 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1nf4 h ASN 17 CO 0.05 0.77 0.11 0.11 -1.65 0.00 0.00 177.43 176.82 1nf4 h LYS 18 N 0.05 0.77 -0.09 0.81 1.57 -1.22 -1.21 116.57 117.25 1nf4 h LYS 18 Ca -0.01 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1nf4 h LYS 18 Cb 1.25 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1nf4 h LYS 18 CO 0.10 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.75 1nf4 h ALA 19 N 0.98 0.11 -0.76 3.86 0.00 -1.20 -2.28 119.26 119.98 1nf4 h ALA 19 Ca 0.15 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1nf4 h ALA 19 Cb 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1nf4 h ALA 19 CO 0.00 -0.23 0.41 -0.09 0.00 0.00 0.00 179.25 179.34 1nf4 h ARG 20 N -0.11 0.67 -0.09 0.00 2.43 -1.07 0.14 114.38 116.36 1nf4 h ARG 20 Ca 0.03 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1nf4 h ARG 20 Cb 0.30 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1nf4 h ARG 20 CO 0.00 0.44 -0.13 0.00 -1.51 0.00 0.00 179.97 178.78 1nf4 h ALA 21 N 1.44 1.62 -0.28 2.80 0.00 -1.08 0.01 119.26 123.77 1nf4 h ALA 21 Ca 0.37 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1nf4 h ALA 21 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nf4 h ALA 21 CO -0.25 0.28 -0.37 0.52 0.00 0.00 0.00 179.25 179.43 1nf4 h MET 22 N 0.14 0.63 0.07 0.00 2.86 -0.49 -0.45 114.93 117.68 1nf4 h MET 22 Ca 0.03 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1nf4 h MET 22 Cb 0.32 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1nf4 h MET 22 CO 0.02 0.90 -0.03 0.93 1.06 0.00 0.00 176.91 179.79 1nf4 h GLU 23 N 0.53 -0.09 -0.87 1.72 4.39 0.10 -1.50 114.58 118.86 1nf4 h GLU 23 Ca 0.05 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.95 1nf4 h GLU 23 Cb 0.88 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.43 1nf4 h GLU 23 CO 0.08 0.14 0.39 -0.07 -1.16 0.00 0.00 179.01 178.39 1nf4 h LEU 24 N -0.31 0.37 -0.37 1.33 3.38 -1.17 0.33 115.31 118.87 1nf4 h LEU 24 Ca -0.01 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nf4 h LEU 24 Cb 0.27 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1nf4 h LEU 24 CO 0.02 0.07 0.18 -0.74 0.09 0.00 0.00 178.44 178.06 1nf4 h HIS 25 N 0.46 0.53 -0.61 1.13 2.76 -1.28 -2.68 115.15 115.47 1nf4 h HIS 25 Ca 0.52 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.65 1nf4 h HIS 25 Cb 0.91 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1nf4 h HIS 25 CO -0.13 0.45 0.34 0.00 -1.30 0.00 0.00 177.93 177.28 1nf4 h ALA 26 N 1.04 0.78 -0.43 5.26 0.00 0.48 -0.22 119.26 126.17 1nf4 h ALA 26 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1nf4 h ALA 26 Cb 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1nf4 h ALA 26 CO -0.02 0.30 0.11 0.82 0.00 0.00 0.00 179.25 180.46 1nf4 h ILE 27 N 0.83 0.80 -0.06 0.00 2.04 -0.37 0.11 117.51 120.85 1nf4 h ILE 27 Ca 0.22 -0.09 -0.25 0.00 1.00 0.00 0.00 64.86 65.74 1nf4 h ILE 27 Cb 0.04 0.53 0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1nf4 h ILE 27 CO -0.04 0.05 -0.94 0.45 0.00 0.00 0.00 178.15 177.67 1nf4 h HIS 28 N 0.25 1.05 -0.05 1.37 3.86 -1.13 -0.52 115.15 119.99 1nf4 h HIS 28 Ca 0.21 -0.53 -0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1nf4 h HIS 28 Cb 0.24 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1nf4 h HIS 28 CO -0.19 1.36 0.02 0.37 0.86 0.00 0.00 177.93 180.36 1nf4 h GLN 29 N 0.45 0.07 -0.37 2.45 5.75 -0.89 0.84 115.11 123.42 1nf4 h GLN 29 Ca -0.10 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.27 1nf4 h GLN 29 Cb 1.58 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.11 1nf4 h GLN 29 CO 0.19 0.17 -0.26 1.88 -2.65 0.00 0.00 178.83 178.16 1nf4 h TYR 30 N -0.05 0.86 -0.19 3.99 0.99 -0.83 -2.00 116.97 119.74 1nf4 h TYR 30 Ca 0.02 -0.21 -0.13 0.00 2.00 0.00 0.00 58.73 60.41 1nf4 h TYR 30 Cb 0.12 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 1nf4 h TYR 30 CO -0.03 0.93 -0.43 0.52 -0.00 0.00 0.00 178.16 179.15 1nf4 h MET 31 N 0.65 0.45 -0.56 4.88 2.86 -0.99 -0.19 114.93 122.02 1nf4 h MET 31 Ca 0.08 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1nf4 h MET 31 Cb 0.77 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1nf4 h MET 31 CO 0.06 0.80 0.30 -0.97 1.06 0.00 0.00 176.91 178.17 1nf4 h ASN 32 N 0.37 0.45 -0.03 1.22 -0.73 -0.54 -0.32 115.58 116.00 1nf4 h ASN 32 Ca 0.03 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.13 1nf4 h ASN 32 Cb 0.90 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 1nf4 h ASN 32 CO 0.08 0.30 -0.27 1.56 -0.37 0.00 0.00 177.43 178.73 1nf4 h GLN 33 N 0.58 0.46 -0.03 6.67 4.20 -1.12 -2.81 115.11 123.06 1nf4 h GLN 33 Ca 0.25 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1nf4 h GLN 33 Cb 0.14 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1nf4 h GLN 33 CO -0.16 0.70 -0.06 1.25 -0.67 0.00 0.00 178.83 179.89 1nf4 h HIS 34 N 0.41 -0.14 -0.93 2.96 2.76 -0.28 0.36 115.15 120.29 1nf4 h HIS 34 Ca 0.06 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1nf4 h HIS 34 Cb 0.69 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 1nf4 h HIS 34 CO 0.02 -0.09 0.61 1.88 -1.30 0.00 0.00 177.93 179.05 1nf4 h TYR 35 N -0.09 1.13 -0.33 5.26 0.99 -0.92 -0.25 116.97 122.78 1nf4 h TYR 35 Ca 0.04 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 1nf4 h TYR 35 Cb 0.13 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.48 1nf4 h TYR 35 CO -0.14 0.65 -0.05 0.77 -0.00 0.00 0.00 178.16 179.38 1nf4 h SER 36 N 1.16 0.61 -0.74 3.88 0.02 -1.20 -0.21 113.55 117.07 1nf4 h SER 36 Ca 0.38 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1nf4 h SER 36 Cb 0.04 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1nf4 h SER 36 CO -0.12 0.81 0.31 -0.07 -1.14 0.00 0.00 176.83 176.61 1nf4 h LEU 37 N 0.39 1.02 -0.44 5.07 3.38 -0.55 0.12 115.31 124.30 1nf4 h LEU 37 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nf4 h LEU 37 Cb 0.52 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1nf4 h LEU 37 CO 0.03 0.91 0.24 -0.78 0.09 0.00 0.00 178.44 178.93 1nf4 h ASP 38 N 1.07 0.55 -0.84 -0.43 3.58 -0.97 -0.54 116.42 118.84 1nf4 h ASP 38 Ca 0.25 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1nf4 h ASP 38 Cb 0.20 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 1nf4 h ASP 38 CO -0.02 0.48 0.45 -0.78 -2.88 0.00 0.00 179.24 176.49 1nf4 h ASP 39 N 0.58 1.06 0.83 2.28 3.58 -0.52 -1.02 116.42 123.20 1nf4 h ASP 39 Ca 0.16 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1nf4 h ASP 39 Cb 0.05 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1nf4 h ASP 39 CO -0.03 0.86 0.00 0.23 -2.88 0.00 0.00 179.24 177.43 1nf4 n MET 40 N -4.33 0.10 -3.22 0.28 2.81 0.36 -4.91 117.12 108.21 1nf4 n MET 40 Ca 0.09 0.24 -0.15 0.00 -1.81 0.00 0.00 57.70 56.07 1nf4 n MET 40 Cb 0.11 -1.66 0.07 0.00 -0.71 0.00 0.00 33.22 31.04 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 -1.84 -2.36 -4.16 7.83 2.03 -0.32 -4.95 116.55 112.78 1nf4 n ASP 41 Ca 0.04 -0.52 -0.40 0.00 0.52 0.00 0.00 54.79 54.44 1nf4 n ASP 41 Cb 0.26 -4.39 -0.03 0.00 -0.72 0.00 0.00 41.12 36.24 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 -3.72 4.43 0.03 -0.67 0.53 -0.54 -2.58 117.16 114.63 1nf4 n TYR 42 Ca -0.22 -3.89 -0.12 0.00 -1.02 0.00 0.00 57.90 52.66 1nf4 n TYR 42 Cb 0.63 -1.36 -0.05 0.00 -1.03 0.00 0.00 39.34 37.53 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 6.11 -0.58 1.10 2.72 0.00 -1.66 0.16 103.07 110.92 1nf4 h GLY 43 Ca 0.18 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.94 1nf4 h GLY 43 CO 0.97 -0.23 0.51 -2.09 0.00 0.00 0.00 176.54 175.70 1nf4 h GLU 44 N -0.47 1.18 -0.30 4.80 4.81 -1.74 1.00 114.58 123.87 1nf4 h GLU 44 Ca 0.08 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1nf4 h GLU 44 Cb 0.59 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1nf4 h GLU 44 CO -0.34 0.84 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.68 1nf4 h LEU 45 N 1.20 0.54 -0.63 1.64 3.38 -1.79 -1.89 115.31 117.76 1nf4 h LEU 45 Ca 0.31 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1nf4 h LEU 45 Cb -0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1nf4 h LEU 45 CO -0.06 0.74 0.41 0.00 0.09 0.00 0.00 178.44 179.62 1nf4 h ALA 46 N 0.81 0.81 -0.01 1.53 0.00 -0.10 -2.03 119.26 120.29 1nf4 h ALA 46 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 46 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nf4 h ALA 46 CO 0.02 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1nf4 h ALA 47 N 1.25 0.01 0.00 0.00 0.00 -0.72 -2.37 119.26 117.43 1nf4 h ALA 47 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 47 Cb -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nf4 h ALA 47 CO -0.08 -0.34 -0.21 -0.91 0.00 0.00 0.00 179.25 177.71 1nf4 h ASN 48 N -0.28 0.00 -0.39 0.00 2.35 -1.29 -0.47 115.58 115.50 1nf4 h ASN 48 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1nf4 h ASN 48 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1nf4 h ASN 48 CO 0.00 0.21 -0.10 -0.03 -1.65 0.00 0.00 177.43 175.86 1nf4 h MET 49 N 0.00 0.75 -0.55 0.81 4.05 -1.20 -0.11 114.93 118.68 1nf4 h MET 49 Ca -0.00 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.04 1nf4 h MET 49 Cb 0.41 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1nf4 h MET 49 CO 0.03 0.89 0.02 -0.22 0.23 0.00 0.00 176.91 177.86 1nf4 h LYS 50 N 0.56 0.96 -0.32 0.39 3.64 -1.01 -0.11 116.57 120.69 1nf4 h LYS 50 Ca 0.10 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1nf4 h LYS 50 Cb 0.62 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1nf4 h LYS 50 CO 0.04 0.96 0.09 -0.07 -2.27 0.00 0.00 179.45 178.20 1nf4 h LEU 51 N 0.84 0.41 -0.17 5.20 3.38 -0.87 -0.16 115.31 123.94 1nf4 h LEU 51 Ca 0.16 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 1nf4 h LEU 51 Cb 0.52 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1nf4 h LEU 51 CO 0.03 0.41 -0.84 0.40 0.09 0.00 0.00 178.44 178.52 1nf4 h ILE 52 N 0.45 1.30 -0.88 1.22 2.04 -0.68 -2.53 117.51 118.45 1nf4 h ILE 52 Ca 0.11 -2.10 0.09 0.00 1.00 0.00 0.00 64.86 63.96 1nf4 h ILE 52 Cb 0.16 2.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 1nf4 h ILE 52 CO -0.01 0.65 0.57 0.00 0.00 0.00 0.00 178.15 179.37 1nf4 h ALA 53 N 0.60 1.62 -0.35 1.87 0.00 -0.17 -1.69 119.26 121.14 1nf4 h ALA 53 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 53 Cb 1.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1nf4 h ALA 53 CO 0.16 0.22 -0.19 0.82 0.00 0.00 0.00 179.25 180.26 1nf4 h ILE 54 N 0.90 1.26 -0.82 0.00 2.04 -0.93 -0.09 117.51 119.88 1nf4 h ILE 54 Ca 0.40 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1nf4 h ILE 54 Cb 0.35 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1nf4 h ILE 54 CO -0.16 0.41 0.49 0.44 0.00 0.00 0.00 178.15 179.33 1nf4 h ASP 55 N 0.58 0.75 -0.08 1.72 3.32 -0.91 -1.56 116.42 120.25 1nf4 h ASP 55 Ca 0.09 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1nf4 h ASP 55 Cb 0.65 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1nf4 h ASP 55 CO 0.05 0.47 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.37 1nf4 h GLU 56 N 0.88 0.57 -0.87 3.56 4.39 -0.60 -0.50 114.58 122.01 1nf4 h GLU 56 Ca 0.37 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1nf4 h GLU 56 Cb 0.22 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1nf4 h GLU 56 CO -0.19 0.83 0.57 0.52 -1.16 0.00 0.00 179.01 179.58 1nf4 h MET 57 N 0.48 1.12 -0.67 2.33 2.86 -0.53 -0.30 114.93 120.23 1nf4 h MET 57 Ca 0.05 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1nf4 h MET 57 Cb 0.82 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 1nf4 h MET 57 CO 0.07 0.74 0.10 -0.09 1.06 0.00 0.00 176.91 178.79 1nf4 h ARG 58 N 1.16 1.10 -0.06 1.72 2.43 -0.90 -0.94 114.38 118.89 1nf4 h ARG 58 Ca 0.33 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1nf4 h ARG 58 Cb -0.10 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1nf4 h ARG 58 CO -0.08 1.01 0.04 0.45 -1.51 0.00 0.00 179.97 179.88 1nf4 h HIS 59 N 1.03 0.09 -0.74 2.20 3.86 -0.62 0.60 115.15 121.56 1nf4 h HIS 59 Ca 0.20 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.52 1nf4 h HIS 59 Cb 0.45 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 1nf4 h HIS 59 CO 0.03 0.11 0.36 0.00 0.86 0.00 0.00 177.93 179.29 1nf4 h ALA 60 N 0.97 1.05 -0.33 2.45 0.00 -0.86 -0.23 119.26 122.31 1nf4 h ALA 60 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 60 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nf4 h ALA 60 CO -0.00 -0.09 -0.01 1.49 0.00 0.00 0.00 179.25 180.64 1nf4 h GLU 61 N 0.57 0.59 -0.55 0.00 4.81 -0.85 -1.69 114.58 117.45 1nf4 h GLU 61 Ca 0.38 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1nf4 h GLU 61 Cb 0.47 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1nf4 h GLU 61 CO -0.31 0.72 0.36 -0.91 -0.73 0.00 0.00 179.01 178.14 1nf4 h ASN 62 N 0.39 0.64 -0.48 1.04 2.35 -0.39 -0.75 115.58 118.38 1nf4 h ASN 62 Ca 0.09 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1nf4 h ASN 62 Cb 0.46 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1nf4 h ASN 62 CO 0.02 0.47 0.32 -0.26 -1.65 0.00 0.00 177.43 176.33 1nf4 h PHE 63 N 0.75 0.61 -0.25 1.19 0.05 -0.99 -1.98 116.94 116.31 1nf4 h PHE 63 Ca 0.20 0.01 0.04 0.00 3.82 0.00 0.00 57.97 62.05 1nf4 h PHE 63 Cb -0.07 -0.20 -0.04 0.00 2.00 0.00 0.00 35.95 37.63 1nf4 h PHE 63 CO -0.03 0.38 0.00 0.00 -0.18 0.00 0.00 178.31 178.48 1nf4 h ALA 64 N 1.17 0.22 -0.42 2.45 0.00 -0.96 0.29 119.26 122.01 1nf4 h ALA 64 Ca 0.18 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1nf4 h ALA 64 Cb -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nf4 h ALA 64 CO -0.04 -0.42 0.04 0.93 0.00 0.00 0.00 179.25 179.76 1nf4 h GLU 65 N 0.08 0.65 -0.23 0.00 5.08 -0.90 -0.92 114.58 118.34 1nf4 h GLU 65 Ca 0.12 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1nf4 h GLU 65 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1nf4 h GLU 65 CO -0.20 0.65 -0.65 -0.09 -1.00 0.00 0.00 179.01 177.72 1nf4 h ARG 66 N 0.63 0.83 -0.90 2.33 9.65 -1.07 -1.87 114.38 123.97 1nf4 h ARG 66 Ca 0.13 -0.59 0.03 0.00 -1.10 0.00 0.00 59.98 58.45 1nf4 h ARG 66 Cb 0.34 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 1nf4 h ARG 66 CO 0.01 1.21 0.59 0.82 2.80 0.00 0.00 179.97 185.40 1nf4 h ILE 67 N 0.61 1.18 -0.26 1.20 2.04 -0.34 -1.44 117.51 120.49 1nf4 h ILE 67 Ca -0.01 -0.40 -0.17 0.00 1.00 0.00 0.00 64.86 65.28 1nf4 h ILE 67 Cb 1.26 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1nf4 h ILE 67 CO 0.14 0.21 -0.51 0.11 0.00 0.00 0.00 178.15 178.10 1nf4 h LYS 68 N 1.16 0.75 0.00 2.37 1.79 -1.12 0.21 116.57 121.73 1nf4 h LYS 68 Ca 0.35 -0.45 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1nf4 h LYS 68 Cb -0.04 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1nf4 h LYS 68 CO -0.09 1.08 -0.13 0.93 -1.08 0.00 0.00 179.45 180.15 1nf4 h GLU 69 N 0.58 0.00 -0.01 3.15 5.08 -0.69 -1.06 114.58 121.63 1nf4 h GLU 69 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1nf4 h GLU 69 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1nf4 h GLU 69 CO 0.11 0.13 -0.02 1.28 -1.00 0.00 0.00 179.01 179.51 1nf4 n LEU 70 N -4.06 1.23 0.00 1.33 4.77 -0.60 -4.93 117.00 114.74 1nf4 n LEU 70 Ca -0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1nf4 n LEU 70 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nf4 n LEU 70 CO 0.33 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1nf4 n GLY 71 N 1.16 0.77 1.61 -0.72 0.00 -0.40 -4.91 105.19 102.69 1nf4 n GLY 71 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.39 1.93 3.15 -0.02 0.00 0.72 -4.97 105.19 103.59 1nf4 n GLY 72 Ca 0.00 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.09 2.99 0.18 1.61 2.56 -1.26 -4.15 118.70 117.54 1nf4 s GLU 73 Ca 0.25 -0.84 -0.31 0.00 0.00 0.00 0.00 54.97 54.06 1nf4 s GLU 73 Cb -0.02 -2.68 -0.10 0.00 2.00 0.00 0.00 34.13 33.33 1nf4 s GLU 73 CO 0.16 -0.24 1.58 -2.14 -0.56 0.00 0.00 175.26 174.05 1nf4 s PRO 74 N 1.31 4.21 0.78 4.30 0.02 -1.26 -4.97 135.00 139.38 1nf4 s PRO 74 Ca 0.04 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 1nf4 s PRO 74 Cb -0.14 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 31.31 1nf4 s PRO 74 CO -0.11 -0.61 1.13 -0.08 -0.33 0.00 0.00 177.00 177.01 1nf4 s THR 75 N 1.01 2.80 -0.01 0.99 -1.32 -1.26 -4.97 115.64 112.88 1nf4 s THR 75 Ca 0.69 0.31 0.01 0.00 -1.21 0.00 0.00 61.69 61.50 1nf4 s THR 75 Cb -0.44 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 67.87 1nf4 s THR 75 CO 0.33 -0.30 0.94 0.35 -2.21 0.00 0.00 174.62 173.73 1nf4 n THR 76 N -3.33 0.91 -4.18 5.08 -2.24 -1.26 -4.96 114.28 104.31 1nf4 n THR 76 Ca 0.11 -0.94 -0.35 0.00 -2.27 0.00 0.00 64.05 60.60 1nf4 n THR 76 Cb 0.52 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 1nf4 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf4 s GLN 77 N -0.99 3.51 0.36 -0.78 -2.07 -1.26 -5.10 119.66 113.34 1nf4 s GLN 77 Ca 0.03 -0.36 -0.14 0.00 -1.82 0.00 0.00 55.36 53.06 1nf4 s GLN 77 Cb 0.02 -3.02 -0.08 0.00 -1.09 0.00 0.00 33.01 28.84 1nf4 s GLN 77 CO 0.00 0.49 0.77 -1.59 -1.32 0.00 0.00 175.29 173.64 1nf4 s LYS 78 N -0.26 3.93 -0.11 9.60 -2.85 -1.26 -4.51 119.74 124.28 1nf4 s LYS 78 Ca 0.07 0.63 -0.20 0.00 -1.00 0.00 0.00 55.97 55.47 1nf4 s LYS 78 Cb -0.12 -2.39 -0.04 0.00 -2.06 0.00 0.00 37.83 33.22 1nf4 s LYS 78 CO 0.02 0.06 0.57 -2.00 0.10 0.00 0.00 175.35 174.10 1nf4 s GLU 79 N -3.35 4.36 0.57 1.78 -6.30 -0.22 -4.93 118.70 110.61 1nf4 s GLU 79 Ca 0.54 0.61 0.00 0.00 -2.50 0.00 0.00 54.97 53.62 1nf4 s GLU 79 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 34.13 30.57 1nf4 s GLU 79 CO 0.23 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1nf4 n GLY 80 N 3.27 -2.07 3.48 -1.50 0.00 -1.26 -4.68 105.19 102.43 1nf4 n GLY 80 Ca -0.04 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 1nf4 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nf4 s LYS 81 N -0.66 1.70 0.11 1.61 -0.14 -1.26 -5.03 119.74 116.07 1nf4 s LYS 81 Ca 0.00 -1.70 -0.27 0.00 -1.36 0.00 0.00 55.97 52.64 1nf4 s LYS 81 Cb 0.00 -1.81 -0.06 0.00 -1.68 0.00 0.00 37.83 34.27 1nf4 s LYS 81 CO 0.00 0.34 0.84 0.08 -0.76 0.00 0.00 175.35 175.86 1nf4 s VAL 82 N -2.36 4.52 -0.24 3.17 1.01 -1.26 -5.04 120.40 120.20 1nf4 s VAL 82 Ca 0.29 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.94 1nf4 s VAL 82 Cb -0.06 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1nf4 s VAL 82 CO 0.15 0.40 0.36 -0.69 0.00 0.00 0.00 175.10 175.31 1nf4 s VAL 83 N -0.39 5.20 0.28 2.92 1.01 -1.26 -5.08 120.40 123.08 1nf4 s VAL 83 Ca 0.41 0.57 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1nf4 s VAL 83 Cb -0.22 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1nf4 s VAL 83 CO 0.27 0.21 0.18 0.42 0.00 0.00 0.00 175.10 176.17 1nf4 s THR 84 N 1.71 4.00 -0.68 3.92 -4.23 -1.26 -4.67 115.64 114.43 1nf4 s THR 84 Ca 0.15 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1nf4 s THR 84 Cb -0.15 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1nf4 s THR 84 CO 0.09 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1nf4 n GLY 85 N -1.17 0.85 3.74 3.99 0.00 -1.26 -4.99 105.19 106.35 1nf4 n GLY 85 Ca -0.06 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.23 4.35 0.80 1.61 -0.21 -1.26 -5.00 119.66 117.72 1nf4 s GLN 86 Ca 0.00 2.12 -0.10 0.00 0.02 0.00 0.00 55.36 57.40 1nf4 s GLN 86 Cb 0.00 -3.18 0.08 0.00 1.00 0.00 0.00 33.01 30.91 1nf4 s GLN 86 CO 0.00 -0.31 1.10 0.00 -2.12 0.00 0.00 175.29 173.96 1nf4 s ALA 87 N 0.18 2.09 0.17 6.09 0.00 -1.26 -4.70 121.76 124.33 1nf4 s ALA 87 Ca 0.58 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1nf4 s ALA 87 Cb -0.38 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.51 1nf4 s ALA 87 CO 0.39 -1.97 1.61 0.28 0.00 0.00 0.00 175.76 176.06 1nf4 h VAL 88 N -1.28 0.27 -0.59 0.00 2.07 -2.00 -0.82 116.25 113.91 1nf4 h VAL 88 Ca -0.43 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1nf4 h VAL 88 Cb 1.24 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1nf4 h VAL 88 CO 0.49 0.00 0.39 -0.65 0.02 0.00 0.00 177.57 177.82 1nf4 h PRO 89 N -0.21 0.77 -0.27 1.57 0.11 -1.99 -1.52 132.00 130.46 1nf4 h PRO 89 Ca 0.19 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 1nf4 h PRO 89 Cb 0.51 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1nf4 h PRO 89 CO -0.54 0.51 -0.33 0.28 -0.21 0.00 0.00 178.00 177.71 1nf4 h VAL 90 N 0.79 1.29 -0.20 3.15 2.07 -1.65 -2.18 116.25 119.52 1nf4 h VAL 90 Ca 0.22 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1nf4 h VAL 90 Cb -0.08 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1nf4 h VAL 90 CO -0.05 0.46 0.02 0.40 0.02 0.00 0.00 177.57 178.42 1nf4 h ILE 91 N 0.48 0.89 0.05 4.57 2.04 -0.13 0.21 117.51 125.62 1nf4 h ILE 91 Ca 0.06 -0.03 -0.24 0.00 1.00 0.00 0.00 64.86 65.65 1nf4 h ILE 91 Cb 0.81 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1nf4 h ILE 91 CO 0.07 0.02 -1.03 1.88 0.00 0.00 0.00 178.15 179.08 1nf4 h TYR 92 N 0.09 0.48 -0.39 1.37 -1.99 -1.45 -0.98 116.97 114.09 1nf4 h TYR 92 Ca 0.09 -0.30 -0.08 0.00 2.00 0.00 0.00 58.73 60.45 1nf4 h TYR 92 Cb 0.10 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1nf4 h TYR 92 CO -0.16 1.15 -0.06 1.49 -0.00 0.00 0.00 178.16 180.59 1nf4 h GLU 93 N 0.14 0.73 -0.25 4.88 4.81 -1.34 -2.28 114.58 121.27 1nf4 h GLU 93 Ca -0.09 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.73 1nf4 h GLU 93 Cb 1.70 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 1nf4 h GLU 93 CO 0.17 0.85 -0.46 0.77 -0.73 0.00 0.00 179.01 179.62 1nf4 h SER 94 N 0.55 0.71 -0.09 1.04 0.02 -0.92 -2.19 113.55 112.67 1nf4 h SER 94 Ca 0.10 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.60 1nf4 h SER 94 Cb 0.56 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1nf4 h SER 94 CO 0.03 1.06 -0.30 0.44 -1.14 0.00 0.00 176.83 176.92 1nf4 h ASP 95 N 0.52 0.57 -0.22 3.07 3.32 -1.16 0.43 116.42 122.95 1nf4 h ASP 95 Ca 0.03 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1nf4 h ASP 95 Cb 1.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1nf4 h ASP 95 CO 0.09 0.84 0.10 0.00 -1.72 0.00 0.00 179.24 178.55 1nf4 h ALA 96 N 1.20 0.28 -0.36 3.45 0.00 -1.36 0.41 119.26 122.88 1nf4 h ALA 96 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 96 Cb 0.76 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1nf4 h ALA 96 CO 0.06 -0.16 0.12 -0.44 0.00 0.00 0.00 179.25 178.84 1nf4 h ASP 97 N 0.22 0.13 -0.62 0.00 3.32 -1.09 -1.66 116.42 116.72 1nf4 h ASP 97 Ca 0.07 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1nf4 h ASP 97 Cb 0.13 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1nf4 h ASP 97 CO -0.01 0.11 0.20 -0.61 -1.72 0.00 0.00 179.24 177.21 1nf4 h GLN 98 N 0.27 0.99 -0.38 3.56 4.15 -0.68 -0.46 115.11 122.55 1nf4 h GLN 98 Ca 0.17 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 1nf4 h GLN 98 Cb 0.14 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1nf4 h GLN 98 CO -0.17 0.85 -0.34 0.93 -1.93 0.00 0.00 178.83 178.16 1nf4 h GLU 99 N 0.95 0.89 0.00 1.69 4.39 -0.71 -1.03 114.58 120.76 1nf4 h GLU 99 Ca 0.21 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.49 1nf4 h GLU 99 Cb 0.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1nf4 h GLU 99 CO -0.01 1.09 -0.10 0.22 -1.16 0.00 0.00 179.01 179.05 1nf4 h ASP 100 N 0.74 -0.29 -0.89 1.42 1.82 -1.04 -0.42 116.42 117.76 1nf4 h ASP 100 Ca 0.07 0.04 0.07 0.00 -0.39 0.00 0.00 57.03 56.83 1nf4 h ASP 100 Cb 0.92 0.12 -0.06 0.00 0.68 0.00 0.00 39.33 40.99 1nf4 h ASP 100 CO 0.09 -0.14 0.58 0.00 -1.61 0.00 0.00 179.24 178.15 1nf4 h ALA 101 N 0.80 1.56 -0.15 -0.78 0.00 -0.95 -0.38 119.26 119.37 1nf4 h ALA 101 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 101 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nf4 h ALA 101 CO -0.10 0.29 0.05 1.15 0.00 0.00 0.00 179.25 180.64 1nf4 h THR 102 N 0.96 1.17 -0.79 0.00 2.02 -0.75 -0.42 112.91 115.10 1nf4 h THR 102 Ca 0.39 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1nf4 h THR 102 Cb 0.27 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1nf4 h THR 102 CO -0.15 0.16 0.41 0.40 0.37 0.00 0.00 175.52 176.70 1nf4 h ILE 103 N 0.07 1.24 0.23 3.11 2.04 -0.45 0.33 117.51 124.09 1nf4 h ILE 103 Ca 0.05 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1nf4 h ILE 103 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1nf4 h ILE 103 CO -0.00 0.28 -0.16 -0.33 0.00 0.00 0.00 178.15 177.93 1nf4 h GLU 104 N 1.11 -0.38 -0.71 2.37 4.39 -0.74 -1.94 114.58 118.68 1nf4 h GLU 104 Ca 0.28 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 1nf4 h GLU 104 Cb 0.06 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1nf4 h GLU 104 CO -0.04 -0.25 0.22 0.00 -1.16 0.00 0.00 179.01 177.78 1nf4 h ALA 105 N 0.36 1.06 -0.05 3.43 0.00 -0.70 -2.95 119.26 120.41 1nf4 h ALA 105 Ca -0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1nf4 h ALA 105 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nf4 h ALA 105 CO 0.01 0.64 -0.50 1.88 0.00 0.00 0.00 179.25 181.28 1nf4 h TYR 106 N 1.05 0.15 -0.46 0.00 -1.99 -0.20 -1.38 116.97 114.13 1nf4 h TYR 106 Ca 0.23 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.82 1nf4 h TYR 106 Cb 0.29 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 1nf4 h TYR 106 CO 0.02 0.60 -0.10 0.77 -0.00 0.00 0.00 178.16 179.45 1nf4 h SER 107 N 0.10 0.82 -0.66 3.88 0.02 -1.24 0.51 113.55 116.98 1nf4 h SER 107 Ca 0.00 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1nf4 h SER 107 Cb 0.93 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1nf4 h SER 107 CO 0.07 0.94 0.17 1.56 -1.14 0.00 0.00 176.83 178.44 1nf4 h GLN 108 N 0.75 1.04 -0.77 3.45 4.20 -1.31 -2.27 115.11 120.21 1nf4 h GLN 108 Ca 0.13 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1nf4 h GLN 108 Cb 0.60 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1nf4 h GLN 108 CO 0.04 0.93 0.47 0.74 -0.67 0.00 0.00 178.83 180.34 1nf4 h PHE 109 N 0.97 1.00 -0.70 2.96 0.05 -0.89 -1.95 116.94 118.38 1nf4 h PHE 109 Ca 0.21 0.00 0.01 0.00 3.82 0.00 0.00 57.97 62.01 1nf4 h PHE 109 Cb 0.35 -0.33 -0.04 0.00 2.00 0.00 0.00 35.95 37.93 1nf4 h PHE 109 CO 0.03 0.67 0.46 1.25 -0.18 0.00 0.00 178.31 180.53 1nf4 h LEU 110 N 1.05 0.79 -0.80 1.54 6.46 -0.73 -0.87 115.31 122.75 1nf4 h LEU 110 Ca 0.28 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1nf4 h LEU 110 Cb -0.05 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.64 1nf4 h LEU 110 CO -0.05 0.57 0.52 0.11 -0.62 0.00 0.00 178.44 178.97 1nf4 h LYS 111 N 0.94 1.02 -0.37 1.25 1.57 -1.05 -0.28 116.57 119.65 1nf4 h LYS 111 Ca 0.26 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1nf4 h LYS 111 Cb -0.09 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 31.96 1nf4 h LYS 111 CO -0.06 0.67 0.21 0.28 -0.57 0.00 0.00 179.45 179.98 1nf4 h VAL 112 N 1.05 1.02 -0.95 0.50 2.07 -0.67 0.56 116.25 119.84 1nf4 h VAL 112 Ca 0.30 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.73 1nf4 h VAL 112 Cb -0.08 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1nf4 h VAL 112 CO -0.08 0.08 0.62 0.00 0.02 0.00 0.00 177.57 178.21 1nf4 h LYS 114 N 1.14 1.07 -0.77 0.00 1.57 -0.42 0.14 116.57 119.30 1nf4 h LYS 114 Ca 0.40 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1nf4 h LYS 114 Cb 0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1nf4 h LYS 114 CO -0.14 1.01 0.51 0.93 -0.57 0.00 0.00 179.45 181.20 1nf4 h GLU 115 N 0.99 0.98 -0.28 3.15 5.08 0.09 -2.06 114.58 122.53 1nf4 h GLU 115 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1nf4 h GLU 115 Cb 0.49 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nf4 h GLU 115 CO 0.02 0.65 0.00 1.04 -1.00 0.00 0.00 179.01 179.72 1nf4 n GLN 116 N -4.43 1.80 -3.45 2.33 1.13 -0.44 -4.92 117.38 109.40 1nf4 n GLN 116 Ca 0.09 -1.22 -0.21 0.00 -1.94 0.00 0.00 57.00 53.72 1nf4 n GLN 116 Cb 0.06 -1.33 0.07 0.00 0.11 0.00 0.00 30.24 29.16 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 1.10 -0.37 3.04 1.08 0.00 -0.77 -4.93 105.19 104.33 1nf4 n GLY 117 Ca 0.14 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.41 5.01 0.08 1.61 -1.08 0.42 -4.94 116.67 114.36 1nf4 s ASP 118 Ca 0.45 -3.10 -0.24 0.00 -0.52 0.00 0.00 52.55 49.14 1nf4 s ASP 118 Cb -0.20 -1.78 -0.16 0.00 -1.46 0.00 0.00 42.92 39.33 1nf4 s ASP 118 CO 0.65 -0.28 1.70 0.40 0.52 0.00 0.00 175.17 178.16 1nf4 h ILE 119 N 5.11 0.99 -0.43 4.11 1.08 -1.94 -0.39 117.51 126.05 1nf4 h ILE 119 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1nf4 h ILE 119 Cb 0.90 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 1nf4 h ILE 119 CO 0.72 0.02 0.28 0.58 -0.69 0.00 0.00 178.15 179.06 1nf4 h VAL 120 N -0.08 1.12 -0.22 1.67 2.07 -1.97 -0.10 116.25 118.73 1nf4 h VAL 120 Ca -0.00 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1nf4 h VAL 120 Cb 0.07 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1nf4 h VAL 120 CO 0.01 0.12 -0.47 0.74 0.02 0.00 0.00 177.57 177.99 1nf4 h THR 121 N 0.58 1.31 -0.82 2.57 2.02 -1.94 -1.73 112.91 114.90 1nf4 h THR 121 Ca 0.16 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.70 1nf4 h THR 121 Cb -0.05 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1nf4 h THR 121 CO -0.03 0.52 0.52 0.00 0.37 0.00 0.00 175.52 176.90 1nf4 h ALA 122 N 1.04 1.08 -0.21 6.16 0.00 -0.60 -1.96 119.26 124.77 1nf4 h ALA 122 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 122 Cb 0.99 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1nf4 h ALA 122 CO 0.09 0.33 -0.35 -0.09 0.00 0.00 0.00 179.25 179.23 1nf4 h ARG 123 N 1.00 0.45 -0.07 0.00 9.65 -0.65 -2.36 114.38 122.41 1nf4 h ARG 123 Ca 0.33 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1nf4 h ARG 123 Cb 0.03 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1nf4 h ARG 123 CO -0.12 0.75 -0.05 1.25 2.80 0.00 0.00 179.97 184.59 1nf4 h LEU 124 N 0.38 -0.16 -1.09 3.80 5.85 -0.76 -1.60 115.31 121.74 1nf4 h LEU 124 Ca 0.04 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1nf4 h LEU 124 Cb 0.80 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1nf4 h LEU 124 CO 0.06 -0.07 0.62 -0.26 -0.34 0.00 0.00 178.44 178.45 1nf4 h PHE 125 N -0.06 1.16 0.11 1.25 -1.00 -1.13 -1.50 116.94 115.76 1nf4 h PHE 125 Ca 0.05 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.86 1nf4 h PHE 125 Cb 0.13 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.28 1nf4 h PHE 125 CO -0.16 0.70 -0.13 1.49 -1.61 0.00 0.00 178.31 178.60 1nf4 h GLU 126 N 1.23 -0.27 -0.70 1.51 4.81 -1.14 0.46 114.58 120.48 1nf4 h GLU 126 Ca 0.36 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1nf4 h GLU 126 Cb -0.08 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1nf4 h GLU 126 CO -0.09 -0.18 0.44 0.00 -0.73 0.00 0.00 179.01 178.45 1nf4 h ARG 127 N -0.28 0.93 -0.14 1.92 3.08 -1.09 -2.26 114.38 116.54 1nf4 h ARG 127 Ca 0.01 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 1nf4 h ARG 127 Cb 0.28 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1nf4 h ARG 127 CO -0.05 0.63 -0.68 0.82 -1.07 0.00 0.00 179.97 179.63 1nf4 h ILE 128 N 0.94 1.34 -0.99 2.04 2.04 -0.82 -2.30 117.51 119.76 1nf4 h ILE 128 Ca 0.25 -1.98 0.08 0.00 1.00 0.00 0.00 64.86 64.22 1nf4 h ILE 128 Cb -0.08 1.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 1nf4 h ILE 128 CO -0.05 0.61 0.64 0.40 0.00 0.00 0.00 178.15 179.74 1nf4 h ILE 129 N 0.39 1.03 -0.31 -0.67 2.04 0.08 0.20 117.51 120.29 1nf4 h ILE 129 Ca -0.02 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1nf4 h ILE 129 Cb 1.25 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1nf4 h ILE 129 CO 0.13 0.20 0.09 -0.33 0.00 0.00 0.00 178.15 178.24 1nf4 h GLU 130 N 1.10 0.43 -0.08 2.37 5.08 -0.86 -1.45 114.58 121.17 1nf4 h GLU 130 Ca 0.45 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.50 1nf4 h GLU 130 Cb 0.28 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1nf4 h GLU 130 CO -0.20 0.39 -0.91 0.93 -1.00 0.00 0.00 179.01 178.23 1nf4 h GLU 131 N 0.43 0.76 -0.87 2.33 5.08 -0.67 -2.94 114.58 118.70 1nf4 h GLU 131 Ca 0.11 -0.71 0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1nf4 h GLU 131 Cb 0.14 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1nf4 h GLU 131 CO -0.01 1.29 0.56 0.93 -1.00 0.00 0.00 179.01 180.79 1nf4 h GLU 132 N 0.48 0.89 -0.79 2.33 4.39 -0.72 -1.22 114.58 119.94 1nf4 h GLU 132 Ca -0.09 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1nf4 h GLU 132 Cb 1.55 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.96 1nf4 h GLU 132 CO 0.18 0.59 0.49 0.37 -1.16 0.00 0.00 179.01 179.48 1nf4 h GLN 133 N 0.92 1.07 -0.72 2.33 5.75 -1.14 -0.18 115.11 123.13 1nf4 h GLN 133 Ca 0.39 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.74 1nf4 h GLN 133 Cb 0.30 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1nf4 h GLN 133 CO -0.15 0.74 0.24 0.00 -2.65 0.00 0.00 178.83 177.01 1nf4 h ALA 134 N 1.45 1.07 -0.30 3.38 0.00 -1.08 -1.83 119.26 121.95 1nf4 h ALA 134 Ca 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 134 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1nf4 h ALA 134 CO -0.06 0.64 0.08 0.45 0.00 0.00 0.00 179.25 180.37 1nf4 h HIS 135 N 1.06 0.50 -0.38 0.00 3.86 -0.61 -2.17 115.15 117.41 1nf4 h HIS 135 Ca 0.24 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1nf4 h HIS 135 Cb 0.27 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 1nf4 h HIS 135 CO 0.02 0.53 0.11 1.25 0.86 0.00 0.00 177.93 180.70 1nf4 h LEU 136 N 0.32 0.09 -0.46 2.43 5.85 -0.87 -1.06 115.31 121.62 1nf4 h LEU 136 Ca 0.10 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1nf4 h LEU 136 Cb 0.28 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1nf4 h LEU 136 CO -0.00 0.09 0.12 0.74 -0.34 0.00 0.00 178.44 179.04 1nf4 h THR 137 N 0.25 1.23 -0.10 1.05 2.02 -1.26 0.49 112.91 116.60 1nf4 h THR 137 Ca 0.18 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1nf4 h THR 137 Cb 0.18 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1nf4 h THR 137 CO -0.20 0.29 -0.25 0.22 0.37 0.00 0.00 175.52 175.95 1nf4 h TYR 138 N 0.62 -0.68 -0.54 3.16 3.20 -1.14 -1.44 116.97 120.16 1nf4 h TYR 138 Ca 0.15 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1nf4 h TYR 138 Cb 0.32 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1nf4 h TYR 138 CO 0.02 -0.34 0.05 1.88 -1.64 0.00 0.00 178.16 178.14 1nf4 h TYR 139 N -0.34 0.92 -0.54 -3.82 0.99 -0.92 -2.13 116.97 111.13 1nf4 h TYR 139 Ca 0.09 -0.12 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1nf4 h TYR 139 Cb 0.47 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 37.92 1nf4 h TYR 139 CO -0.34 0.81 0.09 0.93 -0.00 0.00 0.00 178.16 179.65 1nf4 h GLU 140 N 0.82 0.86 -0.28 4.88 5.08 -0.69 -1.84 114.58 123.41 1nf4 h GLU 140 Ca 0.17 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1nf4 h GLU 140 Cb 0.41 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1nf4 h GLU 140 CO 0.01 0.80 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.63 1nf4 h ASN 141 N 0.82 0.73 -0.09 1.42 2.35 -0.83 -0.04 115.58 119.94 1nf4 h ASN 141 Ca 0.17 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1nf4 h ASN 141 Cb 0.37 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1nf4 h ASN 141 CO 0.01 1.06 0.06 0.40 -1.65 0.00 0.00 177.43 177.31 1nf4 h ILE 142 N 0.42 1.03 -0.83 2.81 1.08 -1.33 -1.77 117.51 118.91 1nf4 h ILE 142 Ca 0.04 -0.07 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1nf4 h ILE 142 Cb 0.86 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 35.46 1nf4 h ILE 142 CO 0.07 0.03 0.51 1.23 -0.69 0.00 0.00 178.15 179.30 1nf4 h GLY 143 N 0.12 1.24 0.99 5.37 0.00 -1.25 0.90 103.07 110.44 1nf4 h GLY 143 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1nf4 h GLY 143 CO -0.01 0.26 0.26 0.23 0.00 0.00 0.00 176.54 177.28 1nf4 h SER 144 N 0.94 0.78 0.01 0.19 0.87 -0.77 0.91 113.55 116.48 1nf4 h SER 144 Ca 0.36 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 1nf4 h SER 144 Cb 0.15 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1nf4 h SER 144 CO -0.17 0.71 -0.53 0.45 -0.53 0.00 0.00 176.83 176.77 1nf4 h HIS 145 N 0.80 0.71 -0.39 2.24 -0.00 -0.61 -0.50 115.15 117.39 1nf4 h HIS 145 Ca 0.20 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1nf4 h HIS 145 Cb 0.15 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1nf4 h HIS 145 CO 0.00 0.98 0.22 0.82 -0.00 0.00 0.00 177.93 179.95 1nf4 h ILE 146 N 0.44 1.15 -0.28 2.45 2.04 -0.58 0.38 117.51 123.11 1nf4 h ILE 146 Ca 0.01 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1nf4 h ILE 146 Cb 1.07 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1nf4 h ILE 146 CO 0.10 0.15 0.14 0.11 0.00 0.00 0.00 178.15 178.65 1nf4 h LYS 147 N 0.51 0.40 0.06 2.37 1.57 -0.58 -1.70 116.57 119.20 1nf4 h LYS 147 Ca 0.14 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.59 1nf4 h LYS 147 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1nf4 h LYS 147 CO -0.02 0.38 -1.39 -0.91 -0.57 0.00 0.00 179.45 176.93 1nf4 h ASN 148 N 0.33 0.20 0.00 0.86 4.21 -1.00 -3.40 115.58 116.78 1nf4 h ASN 148 Ca 0.10 -0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1nf4 h ASN 148 Cb 0.10 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1nf4 h ASN 148 CO -0.01 1.23 -0.51 0.18 -1.29 0.00 0.00 177.43 177.02 1nf4 n LEU 149 N -3.35 0.18 0.00 1.61 4.77 0.13 -5.07 117.00 115.27 1nf4 n LEU 149 Ca -0.11 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1nf4 n LEU 149 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1nf4 n LEU 149 CO 0.49 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1nf4 n GLY 150 N 1.41 2.04 0.36 -0.72 0.00 -0.64 -2.79 105.19 104.85 1nf4 n GLY 150 Ca 0.00 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 6.94 0.17 -0.14 1.61 5.19 -1.93 -1.15 116.42 127.11 1nf4 h ASP 151 Ca 0.00 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1nf4 h ASP 151 Cb 0.00 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1nf4 h ASP 151 CO 0.00 0.10 -0.07 0.74 -3.12 0.00 0.00 179.24 176.89 1nf4 h THR 152 N 0.19 1.20 -0.14 0.35 2.02 -1.94 0.13 112.91 114.71 1nf4 h THR 152 Ca 0.26 -0.84 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1nf4 h THR 152 Cb 0.76 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1nf4 h THR 152 CO -0.04 0.28 -0.44 0.22 0.37 0.00 0.00 175.52 175.90 1nf4 h TYR 153 N 0.42 0.72 -0.26 3.16 3.20 -1.20 -3.29 116.97 119.71 1nf4 h TYR 153 Ca 0.09 -0.29 -0.05 0.00 3.14 0.00 0.00 58.73 61.61 1nf4 h TYR 153 Cb 0.38 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1nf4 h TYR 153 CO 0.01 1.05 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.45 1nf4 h LEU 154 N 0.18 0.39 -1.95 2.82 3.38 -1.29 -2.80 115.31 116.03 1nf4 h LEU 154 Ca -0.02 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1nf4 h LEU 154 Cb 1.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1nf4 h LEU 154 CO 0.09 0.50 0.22 0.00 0.09 0.00 0.00 178.44 179.35 1nf4 h ALA 155 N 1.54 2.22 0.00 1.53 0.00 -0.83 0.23 119.26 123.96 1nf4 h ALA 155 Ca 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 155 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1nf4 h ALA 155 CO 0.02 -0.30 -0.42 -0.22 0.00 0.00 0.00 179.25 178.33 1nf4 h LYS 156 N 0.06 0.00 0.00 0.00 3.64 -1.63 -3.19 116.57 115.45 1nf4 h LYS 156 Ca 0.14 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1nf4 h LYS 156 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1nf4 h LYS 156 CO -0.01 0.42 -0.75 0.82 -2.27 0.00 0.00 179.45 177.66 1nf4 h ILE 157 N 0.00 0.36 -2.53 2.00 1.08 -1.06 -3.45 117.51 113.92 1nf4 h ILE 157 Ca -0.00 -1.58 -0.53 0.00 -0.39 0.00 0.00 64.86 62.36 1nf4 h ILE 157 Cb 1.07 2.00 0.04 0.00 -3.07 0.00 0.00 36.82 36.85 1nf4 h ILE 157 CO 0.05 0.21 1.12 0.00 -0.69 0.00 0.00 178.15 178.84 1nf4 s ALA 158 N -3.11 3.76 0.00 1.87 0.00 -0.86 -1.80 121.76 121.63 1nf4 s ALA 158 Ca 0.02 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1nf4 s ALA 158 Cb 0.08 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1nf4 s ALA 158 CO 0.76 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1nf4 n GLY 159 N 4.24 0.77 3.79 0.00 0.00 -1.07 -4.99 105.19 107.93 1nf4 n GLY 159 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.02 3.65 0.52 2.61 -4.23 -0.74 -4.95 115.64 109.47 1nf4 s THR 160 Ca 0.00 0.53 -0.23 0.00 -1.18 0.00 0.00 61.69 60.82 1nf4 s THR 160 Cb 0.00 -3.15 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 1nf4 s THR 160 CO 0.00 -0.70 1.31 -2.65 -0.54 0.00 0.00 174.62 172.04 1nf4 n PRO 161 N -3.34 1.72 -0.03 3.99 -0.02 -1.26 -3.81 135.00 132.25 1nf4 n PRO 161 Ca 0.08 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.22 1nf4 n PRO 161 Cb 0.53 -2.50 0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1nf4 n PRO 161 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nf4 n SER 162 N -0.64 1.88 -4.77 2.55 3.41 -1.26 -3.01 113.62 111.77 1nf4 n SER 162 Ca 0.09 -1.51 -0.40 0.00 -0.26 0.00 0.00 58.87 56.79 1nf4 n SER 162 Cb 0.43 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.70 6.50 -0.00 4.04 0.15 -1.26 -4.26 113.70 118.16 1nf4 s SER 163 Ca 0.10 2.73 0.16 0.00 0.70 0.00 0.00 55.95 59.63 1nf4 s SER 163 Cb 0.06 -2.65 0.45 0.00 -1.71 0.00 0.00 66.02 62.17 1nf4 s SER 163 CO 0.09 -0.73 1.38 0.35 1.20 0.00 0.00 173.24 175.52 1nf4 n THR 164 N 0.44 1.03 0.00 6.45 -2.24 -1.26 -4.93 114.28 113.77 1nf4 n THR 164 Ca 0.02 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1nf4 n THR 164 Cb 0.42 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.96 0.05 3.75 3.38 0.00 -1.26 -5.04 105.19 107.03 1nf4 n GLY 165 Ca 0.17 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf4 s THR 166 N 0.00 2.63 0.61 2.61 -1.32 -1.26 -4.96 115.64 113.95 1nf4 s THR 166 Ca 0.00 0.35 -0.18 0.00 -1.21 0.00 0.00 61.69 60.65 1nf4 s THR 166 Cb 0.00 -3.02 -0.03 0.00 -1.51 0.00 0.00 72.50 67.95 1nf4 s THR 166 CO 0.00 -0.13 1.21 0.00 -2.21 0.00 0.00 174.62 173.50 1nf4 s ALA 167 N -1.83 2.49 -0.91 11.08 0.00 -1.26 -4.89 121.76 126.44 1nf4 s ALA 167 Ca 0.75 1.01 -0.33 0.00 0.00 0.00 0.00 51.96 53.38 1nf4 s ALA 167 Cb -0.28 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.16 1nf4 s ALA 167 CO 0.38 -1.27 2.60 -1.13 0.00 0.00 0.00 175.76 176.33 1nf4 n SER 168 N -1.74 0.39 -4.53 0.00 3.41 -1.26 -4.87 113.62 105.01 1nf4 n SER 168 Ca 0.14 0.26 -0.43 0.00 -0.26 0.00 0.00 58.87 58.58 1nf4 n SER 168 Cb 0.50 -0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 1nf4 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nf4 n LYS 169 N 8.33 1.28 -1.20 4.33 5.02 -1.26 -4.87 118.16 129.79 1nf4 n LYS 169 Ca 0.64 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1nf4 n LYS 169 Cb 0.02 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.11 1nf4 n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nf4 n GLY 170 N 6.14 5.50 0.10 0.72 0.00 -1.26 -5.10 105.19 111.29 1nf4 n GLY 170 Ca 0.38 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 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 0.60 0.13 0.00 1.61 3.57 -2.05 -3.56 116.94 117.23 1nf4 h PHE 171 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1nf4 h PHE 171 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1nf4 h PHE 171 CO 0.00 1.36 0.00 1.33 -2.23 0.00 0.00 178.31 178.77