#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 4.40 0.18 1.61 2.20 -1.26 -4.77 114.94 117.30 1nf4 s ASN 4 Ca 0.00 0.33 -0.23 0.00 -0.94 0.00 0.00 52.86 52.02 1nf4 s ASN 4 Cb 0.00 -0.81 0.09 0.00 -2.00 0.00 0.00 41.25 38.53 1nf4 s ASN 4 CO 0.00 -1.88 1.57 0.03 -2.94 0.00 0.00 177.10 173.88 1nf4 h ARG 5 N -0.83 -0.17 -0.68 3.55 2.47 -2.00 0.16 114.38 116.88 1nf4 h ARG 5 Ca -0.43 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.28 1nf4 h ARG 5 Cb 1.29 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.62 1nf4 h ARG 5 CO 0.54 -0.11 0.34 0.93 0.56 0.00 0.00 179.97 182.23 1nf4 h GLU 6 N -0.18 0.96 -0.04 0.04 3.07 -2.00 -2.24 114.58 114.19 1nf4 h GLU 6 Ca 0.22 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 58.83 1nf4 h GLU 6 Cb 0.56 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1nf4 h GLU 6 CO -0.71 0.73 -0.55 0.22 -1.40 0.00 0.00 179.01 177.29 1nf4 h ASP 7 N 0.96 0.14 -0.39 1.42 3.58 -1.12 -0.77 116.42 120.23 1nf4 h ASP 7 Ca 0.24 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 1nf4 h ASP 7 Cb 0.07 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1nf4 h ASP 7 CO -0.03 0.67 -0.20 0.03 -2.88 0.00 0.00 179.24 176.83 1nf4 h ARG 8 N 0.10 0.88 -0.34 0.28 3.08 -0.62 -2.06 114.38 115.69 1nf4 h ARG 8 Ca -0.00 -0.35 -0.17 0.00 0.07 0.00 0.00 59.98 59.52 1nf4 h ARG 8 Cb 1.01 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1nf4 h ARG 8 CO 0.08 1.00 -0.45 0.87 -1.07 0.00 0.00 179.97 180.40 1nf4 h LYS 9 N 0.77 0.90 -0.36 0.04 1.57 -1.20 -2.75 116.57 115.55 1nf4 h LYS 9 Ca 0.11 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1nf4 h LYS 9 Cb 0.74 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1nf4 h LYS 9 CO 0.06 1.16 0.17 0.00 -0.57 0.00 0.00 179.45 180.27 1nf4 h ALA 10 N 0.75 0.46 -0.42 3.86 0.00 -1.03 0.35 119.26 123.24 1nf4 h ALA 10 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1nf4 h ALA 10 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nf4 h ALA 10 CO 0.11 0.02 -0.20 0.87 0.00 0.00 0.00 179.25 180.05 1nf4 h LYS 11 N 0.44 0.82 -0.35 0.00 1.57 -1.44 -1.38 116.57 116.22 1nf4 h LYS 11 Ca 0.12 -0.32 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 1nf4 h LYS 11 Cb 0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1nf4 h LYS 11 CO -0.02 0.94 -0.44 0.28 -0.57 0.00 0.00 179.45 179.64 1nf4 h VAL 12 N 0.72 1.27 -0.09 0.50 2.07 -1.25 -2.77 116.25 116.70 1nf4 h VAL 12 Ca 0.10 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1nf4 h VAL 12 Cb 0.72 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1nf4 h VAL 12 CO 0.06 0.54 0.06 0.40 0.02 0.00 0.00 177.57 178.64 1nf4 h ILE 13 N 0.74 1.02 -0.13 4.57 2.04 -0.07 -1.20 117.51 124.48 1nf4 h ILE 13 Ca 0.04 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1nf4 h ILE 13 Cb 1.05 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1nf4 h ILE 13 CO 0.11 0.02 0.04 -0.08 0.00 0.00 0.00 178.15 178.24 1nf4 h GLU 14 N 0.12 0.20 0.00 2.37 4.81 -0.98 -1.50 114.58 119.60 1nf4 h GLU 14 Ca 0.03 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1nf4 h GLU 14 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1nf4 h GLU 14 CO -0.01 0.34 -0.45 -0.39 -0.73 0.00 0.00 179.01 177.77 1nf4 h VAL 15 N 0.03 0.89 -0.52 0.32 -1.51 -1.22 -2.00 116.25 112.23 1nf4 h VAL 15 Ca 0.04 -1.90 -0.10 0.00 -1.23 0.00 0.00 66.70 63.52 1nf4 h VAL 15 Cb 0.22 2.18 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 1nf4 h VAL 15 CO -0.00 0.44 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.65 1nf4 h LEU 16 N 0.00 0.93 -0.71 4.19 3.38 -1.15 -0.61 115.31 121.34 1nf4 h LEU 16 Ca -0.00 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1nf4 h LEU 16 Cb 1.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1nf4 h LEU 16 CO 0.06 1.02 -0.64 0.78 0.09 0.00 0.00 178.44 179.75 1nf4 h ASN 17 N 0.85 0.04 -0.11 -0.43 2.35 -1.16 0.18 115.58 117.30 1nf4 h ASN 17 Ca 0.15 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1nf4 h ASN 17 Cb 0.59 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1nf4 h ASN 17 CO 0.04 0.67 0.03 0.11 -1.65 0.00 0.00 177.43 176.63 1nf4 h LYS 18 N 0.03 0.17 -0.26 0.81 1.57 -1.11 -0.43 116.57 117.34 1nf4 h LYS 18 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1nf4 h LYS 18 Cb 1.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1nf4 h LYS 18 CO 0.09 0.33 0.15 0.00 -0.57 0.00 0.00 179.45 179.45 1nf4 h ALA 19 N 0.84 0.33 -0.89 3.86 0.00 -1.03 -2.34 119.26 120.03 1nf4 h ALA 19 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 19 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1nf4 h ALA 19 CO -0.00 -0.15 0.59 -0.09 0.00 0.00 0.00 179.25 179.59 1nf4 h ARG 20 N 0.32 1.17 -0.18 0.00 2.43 -0.59 -0.78 114.38 116.75 1nf4 h ARG 20 Ca 0.09 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1nf4 h ARG 20 Cb 0.03 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1nf4 h ARG 20 CO -0.02 0.77 -0.04 0.00 -1.51 0.00 0.00 179.97 179.17 1nf4 h ALA 21 N 1.45 1.60 -0.05 2.80 0.00 -0.72 -1.03 119.26 123.31 1nf4 h ALA 21 Ca 0.33 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 21 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nf4 h ALA 21 CO -0.07 0.29 -0.54 0.52 0.00 0.00 0.00 179.25 179.46 1nf4 h MET 22 N 0.26 0.14 -0.20 0.00 2.86 -0.66 -1.58 114.93 115.75 1nf4 h MET 22 Ca 0.06 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1nf4 h MET 22 Cb 0.25 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1nf4 h MET 22 CO 0.01 0.64 -0.33 0.93 1.06 0.00 0.00 176.91 179.22 1nf4 h GLU 23 N 0.11 0.58 -0.87 1.72 4.39 -0.54 -1.92 114.58 118.05 1nf4 h GLU 23 Ca -0.00 -0.35 0.08 0.00 0.34 0.00 0.00 59.36 59.43 1nf4 h GLU 23 Cb 0.98 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 1nf4 h GLU 23 CO 0.08 0.96 0.56 -0.07 -1.16 0.00 0.00 179.01 179.38 1nf4 h LEU 24 N 0.25 0.82 -0.28 1.33 3.38 -1.07 0.86 115.31 120.60 1nf4 h LEU 24 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1nf4 h LEU 24 Cb 0.91 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1nf4 h LEU 24 CO 0.07 0.51 0.02 -0.74 0.09 0.00 0.00 178.44 178.39 1nf4 h HIS 25 N 0.92 0.51 -0.33 1.13 2.76 -1.32 -2.97 115.15 115.85 1nf4 h HIS 25 Ca 0.38 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1nf4 h HIS 25 Cb 0.30 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1nf4 h HIS 25 CO -0.00 0.61 0.21 0.00 -1.30 0.00 0.00 177.93 177.44 1nf4 h ALA 26 N 0.84 0.42 -0.38 5.26 0.00 -0.47 0.19 119.26 125.13 1nf4 h ALA 26 Ca 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1nf4 h ALA 26 Cb 0.39 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1nf4 h ALA 26 CO 0.01 -0.14 -0.14 0.82 0.00 0.00 0.00 179.25 179.80 1nf4 h ILE 27 N 0.42 0.53 -0.12 0.00 2.04 -0.89 0.44 117.51 119.94 1nf4 h ILE 27 Ca 0.13 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.81 1nf4 h ILE 27 Cb -0.02 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nf4 h ILE 27 CO -0.04 0.00 -0.66 0.45 0.00 0.00 0.00 178.15 177.89 1nf4 h HIS 28 N -0.06 0.63 -0.12 1.37 3.86 -1.34 -0.60 115.15 118.89 1nf4 h HIS 28 Ca 0.19 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1nf4 h HIS 28 Cb 0.34 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1nf4 h HIS 28 CO -0.38 1.01 0.01 0.37 0.86 0.00 0.00 177.93 179.80 1nf4 h GLN 29 N 0.35 0.21 -0.29 2.45 5.75 -0.19 -1.34 115.11 122.05 1nf4 h GLN 29 Ca -0.02 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.29 1nf4 h GLN 29 Cb 1.23 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1nf4 h GLN 29 CO 0.12 0.44 -0.34 1.88 -2.65 0.00 0.00 178.83 178.27 1nf4 h TYR 30 N -0.05 0.75 -0.05 3.99 0.99 -0.14 -2.62 116.97 119.84 1nf4 h TYR 30 Ca 0.03 -0.20 -0.14 0.00 2.00 0.00 0.00 58.73 60.43 1nf4 h TYR 30 Cb 0.34 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.89 1nf4 h TYR 30 CO 0.03 0.90 -0.59 0.52 -0.00 0.00 0.00 178.16 179.02 1nf4 h MET 31 N 0.54 0.17 -0.45 4.88 2.86 -1.08 -0.45 114.93 121.41 1nf4 h MET 31 Ca 0.06 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1nf4 h MET 31 Cb 0.85 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1nf4 h MET 31 CO 0.07 0.71 0.27 -0.97 1.06 0.00 0.00 176.91 178.05 1nf4 h ASN 32 N 0.13 0.43 -0.49 1.22 -1.24 -1.00 -0.52 115.58 114.11 1nf4 h ASN 32 Ca -0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1nf4 h ASN 32 Cb 1.07 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.01 1nf4 h ASN 32 CO 0.09 0.31 0.02 1.56 -1.29 0.00 0.00 177.43 178.12 1nf4 h GLN 33 N 0.54 0.90 -0.83 6.67 4.20 -1.27 -2.11 115.11 123.21 1nf4 h GLN 33 Ca 0.18 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1nf4 h GLN 33 Cb 0.01 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.63 1nf4 h GLN 33 CO -0.08 0.88 0.52 1.25 -0.67 0.00 0.00 178.83 180.73 1nf4 h HIS 34 N 0.84 0.97 -0.32 2.96 2.76 -0.61 0.32 115.15 122.06 1nf4 h HIS 34 Ca 0.16 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 1nf4 h HIS 34 Cb 0.47 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1nf4 h HIS 34 CO 0.03 0.52 -0.04 1.88 -1.30 0.00 0.00 177.93 179.02 1nf4 h TYR 35 N 0.98 0.54 -0.10 5.26 0.99 -0.45 -0.62 116.97 123.56 1nf4 h TYR 35 Ca 0.35 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.97 1nf4 h TYR 35 Cb 0.10 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 37.67 1nf4 h TYR 35 CO -0.03 0.55 -0.13 0.77 -0.00 0.00 0.00 178.16 179.33 1nf4 h SER 36 N 0.49 0.29 -0.66 3.88 0.02 -0.91 -1.70 113.55 114.96 1nf4 h SER 36 Ca 0.10 -0.50 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1nf4 h SER 36 Cb 0.38 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1nf4 h SER 36 CO 0.02 0.74 0.36 -0.07 -1.14 0.00 0.00 176.83 176.73 1nf4 h LEU 37 N -0.15 0.84 -0.38 5.07 3.38 -0.71 0.70 115.31 124.06 1nf4 h LEU 37 Ca 0.01 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1nf4 h LEU 37 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1nf4 h LEU 37 CO 0.03 0.68 -0.26 -0.78 0.09 0.00 0.00 178.44 178.20 1nf4 h ASP 38 N 0.94 0.88 -0.91 -0.43 1.82 -1.12 -0.60 116.42 117.00 1nf4 h ASP 38 Ca 0.24 -0.43 0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1nf4 h ASP 38 Cb 0.04 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 39.76 1nf4 h ASP 38 CO -0.04 1.13 0.60 -0.78 -1.61 0.00 0.00 179.24 178.54 1nf4 h ASP 39 N 0.64 1.03 0.82 2.28 3.58 -0.76 -0.39 116.42 123.61 1nf4 h ASP 39 Ca 0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1nf4 h ASP 39 Cb 0.83 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1nf4 h ASP 39 CO 0.07 0.73 0.00 0.24 -2.88 0.00 0.00 179.24 177.40 1nf4 h MET 40 N 1.21 0.00 -3.84 0.28 2.86 -0.72 -3.47 114.93 111.25 1nf4 h MET 40 Ca 0.35 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.76 1nf4 h MET 40 Cb -0.09 0.00 0.08 0.00 0.06 0.00 0.00 31.60 31.65 1nf4 h MET 40 CO -0.09 0.00 -0.40 -3.47 1.06 0.00 0.00 176.91 174.01 1nf4 n ASP 41 N -2.32 -4.33 -4.11 1.22 2.03 -0.16 -4.91 116.55 103.98 1nf4 n ASP 41 Ca 0.02 -0.32 -0.43 0.00 0.52 0.00 0.00 54.79 54.59 1nf4 n ASP 41 Cb 0.25 -3.14 -0.00 0.00 -0.72 0.00 0.00 41.12 37.51 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 -3.86 3.53 -0.27 -0.67 0.53 -0.33 -1.79 117.16 114.31 1nf4 n TYR 42 Ca -0.01 -3.22 -0.08 0.00 -1.02 0.00 0.00 57.90 53.56 1nf4 n TYR 42 Cb 0.54 -1.38 -0.04 0.00 -1.03 0.00 0.00 39.34 37.42 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 5.85 -0.52 1.02 2.72 0.00 -1.66 -0.27 103.07 110.21 1nf4 h GLY 43 Ca 0.19 0.63 -0.02 0.00 0.00 0.00 0.00 47.33 48.13 1nf4 h GLY 43 CO 1.17 -0.12 0.47 -2.09 0.00 0.00 0.00 176.54 175.97 1nf4 h GLU 44 N -0.17 1.17 -0.39 4.80 4.81 -1.71 0.14 114.58 123.23 1nf4 h GLU 44 Ca 0.19 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1nf4 h GLU 44 Cb 0.54 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1nf4 h GLU 44 CO -0.78 0.85 0.00 -0.07 -0.73 0.00 0.00 179.01 178.29 1nf4 h LEU 45 N 1.17 0.66 -0.55 1.64 3.38 -1.70 -1.77 115.31 118.15 1nf4 h LEU 45 Ca 0.30 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1nf4 h LEU 45 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1nf4 h LEU 45 CO -0.05 0.81 0.23 0.00 0.09 0.00 0.00 178.44 179.52 1nf4 h ALA 46 N 0.88 0.71 0.30 1.53 0.00 -0.57 -0.50 119.26 121.61 1nf4 h ALA 46 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 46 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nf4 h ALA 46 CO 0.02 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.39 1nf4 h ALA 47 N 1.08 -0.46 -0.14 0.00 0.00 -0.63 -1.70 119.26 117.40 1nf4 h ALA 47 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 47 Cb 0.18 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nf4 h ALA 47 CO -0.02 -0.77 -0.11 -0.91 0.00 0.00 0.00 179.25 177.44 1nf4 h ASN 48 N -0.47 0.21 -0.54 0.00 2.35 -1.27 -0.19 115.58 115.67 1nf4 h ASN 48 Ca -0.03 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1nf4 h ASN 48 Cb 0.40 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1nf4 h ASN 48 CO 0.03 0.35 -0.05 -0.03 -1.65 0.00 0.00 177.43 176.08 1nf4 h MET 49 N 0.21 1.02 -0.31 0.81 4.05 -0.73 -1.30 114.93 118.68 1nf4 h MET 49 Ca 0.05 -0.34 -0.10 0.00 -0.28 0.00 0.00 59.70 59.02 1nf4 h MET 49 Cb 0.34 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1nf4 h MET 49 CO 0.02 1.02 -0.24 -0.22 0.23 0.00 0.00 176.91 177.73 1nf4 h LYS 50 N 0.92 0.60 -0.42 0.39 3.64 -0.64 -2.06 116.57 119.01 1nf4 h LYS 50 Ca 0.16 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1nf4 h LYS 50 Cb 0.60 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1nf4 h LYS 50 CO 0.04 0.79 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.88 1nf4 h LEU 51 N 0.53 0.69 -0.47 5.20 3.38 -0.62 -1.89 115.31 122.12 1nf4 h LEU 51 Ca 0.08 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 1nf4 h LEU 51 Cb 0.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nf4 h LEU 51 CO 0.05 0.79 -0.63 0.40 0.09 0.00 0.00 178.44 179.15 1nf4 h ILE 52 N 0.66 1.34 -0.66 1.22 2.04 -1.06 -2.24 117.51 118.81 1nf4 h ILE 52 Ca 0.12 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1nf4 h ILE 52 Cb 0.49 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1nf4 h ILE 52 CO 0.03 0.59 0.39 0.00 0.00 0.00 0.00 178.15 179.16 1nf4 h ALA 53 N 0.96 1.44 -0.10 1.87 0.00 -0.93 -1.70 119.26 120.80 1nf4 h ALA 53 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1nf4 h ALA 53 Cb 1.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nf4 h ALA 53 CO 0.11 0.48 -0.58 0.82 0.00 0.00 0.00 179.25 180.09 1nf4 h ILE 54 N 0.91 1.36 -0.69 0.00 2.04 -1.15 0.10 117.51 120.09 1nf4 h ILE 54 Ca 0.24 -1.90 0.11 0.00 1.00 0.00 0.00 64.86 64.31 1nf4 h ILE 54 Cb -0.02 1.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 1nf4 h ILE 54 CO -0.04 0.57 0.29 0.44 0.00 0.00 0.00 178.15 179.41 1nf4 h ASP 55 N 0.24 0.32 0.37 1.72 3.32 -0.77 -0.10 116.42 121.52 1nf4 h ASP 55 Ca -0.00 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1nf4 h ASP 55 Cb 1.08 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1nf4 h ASP 55 CO 0.09 0.17 -0.55 -0.33 -1.72 0.00 0.00 179.24 176.90 1nf4 h GLU 56 N 0.49 0.20 -0.67 3.56 4.39 -0.42 -0.25 114.58 121.88 1nf4 h GLU 56 Ca 0.35 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.95 1nf4 h GLU 56 Cb 0.45 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1nf4 h GLU 56 CO -0.32 0.70 0.43 0.52 -1.16 0.00 0.00 179.01 179.18 1nf4 h MET 57 N 0.15 0.84 -0.70 2.33 2.86 -0.23 -0.21 114.93 119.98 1nf4 h MET 57 Ca -0.00 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1nf4 h MET 57 Cb 1.02 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1nf4 h MET 57 CO 0.08 0.56 0.22 0.00 1.06 0.00 0.00 176.91 178.83 1nf4 h ARG 58 N 0.87 1.07 -0.12 1.72 3.08 -0.37 -1.91 114.38 118.72 1nf4 h ARG 58 Ca 0.26 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1nf4 h ARG 58 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1nf4 h ARG 58 CO -0.08 0.91 0.05 0.45 -1.07 0.00 0.00 179.97 180.24 1nf4 h HIS 59 N 1.04 0.18 -0.91 3.04 3.86 -0.54 -0.39 115.15 121.42 1nf4 h HIS 59 Ca 0.23 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.58 1nf4 h HIS 59 Cb 0.28 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.62 1nf4 h HIS 59 CO 0.02 0.25 0.58 0.00 0.86 0.00 0.00 177.93 179.65 1nf4 h ALA 60 N 0.91 1.84 -0.14 2.45 0.00 -0.81 -0.35 119.26 123.16 1nf4 h ALA 60 Ca 0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 60 Cb 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nf4 h ALA 60 CO -0.00 -0.10 -0.09 1.49 0.00 0.00 0.00 179.25 180.54 1nf4 h GLU 61 N 0.68 0.30 -0.74 0.00 4.81 -0.95 -1.21 114.58 117.47 1nf4 h GLU 61 Ca 0.46 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1nf4 h GLU 61 Cb 0.77 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1nf4 h GLU 61 CO -0.22 0.66 0.39 -0.91 -0.73 0.00 0.00 179.01 178.20 1nf4 h ASN 62 N -0.06 0.94 -0.49 1.04 -0.26 -0.21 -0.16 115.58 116.39 1nf4 h ASN 62 Ca 0.03 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.58 1nf4 h ASN 62 Cb 0.59 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1nf4 h ASN 62 CO 0.03 0.78 0.02 -0.26 -1.06 0.00 0.00 177.43 176.94 1nf4 h PHE 63 N 1.03 0.92 -0.47 1.19 0.05 -1.07 -1.78 116.94 116.81 1nf4 h PHE 63 Ca 0.26 -0.15 -0.04 0.00 3.82 0.00 0.00 57.97 61.86 1nf4 h PHE 63 Cb 0.06 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 37.75 1nf4 h PHE 63 CO 0.00 0.86 0.15 0.00 -0.18 0.00 0.00 178.31 179.15 1nf4 h ALA 64 N 0.94 0.62 -0.73 2.45 0.00 -0.86 0.40 119.26 122.07 1nf4 h ALA 64 Ca 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nf4 h ALA 64 Cb 0.48 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1nf4 h ALA 64 CO 0.02 0.26 0.44 0.93 0.00 0.00 0.00 179.25 180.90 1nf4 h GLU 65 N 0.62 0.99 -0.40 0.00 5.08 -0.91 -1.56 114.58 118.40 1nf4 h GLU 65 Ca 0.15 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1nf4 h GLU 65 Cb 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1nf4 h GLU 65 CO -0.01 0.70 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.51 1nf4 h ARG 66 N 0.99 0.70 -0.92 2.33 9.65 -0.96 -1.96 114.38 124.21 1nf4 h ARG 66 Ca 0.26 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1nf4 h ARG 66 Cb -0.03 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 1nf4 h ARG 66 CO -0.05 0.79 0.61 0.82 2.80 0.00 0.00 179.97 184.94 1nf4 h ILE 67 N 0.64 1.22 -0.57 1.20 2.04 -0.17 -1.87 117.51 120.01 1nf4 h ILE 67 Ca 0.11 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 1nf4 h ILE 67 Cb 0.55 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1nf4 h ILE 67 CO 0.03 0.22 -0.03 0.11 0.00 0.00 0.00 178.15 178.49 1nf4 h LYS 68 N 1.23 1.03 0.00 2.37 1.79 -0.73 -0.04 116.57 122.22 1nf4 h LYS 68 Ca 0.34 -0.34 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1nf4 h LYS 68 Cb -0.11 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1nf4 h LYS 68 CO -0.08 1.03 -0.16 0.93 -1.08 0.00 0.00 179.45 180.09 1nf4 h GLU 69 N 0.92 0.00 -0.02 3.15 5.08 -0.95 -1.39 114.58 121.37 1nf4 h GLU 69 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nf4 h GLU 69 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nf4 h GLU 69 CO 0.04 0.16 -0.07 1.28 -1.00 0.00 0.00 179.01 179.41 1nf4 n LEU 70 N -3.92 1.68 0.00 1.33 4.77 -0.74 -4.95 117.00 115.17 1nf4 n LEU 70 Ca -0.02 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1nf4 n LEU 70 Cb 0.25 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1nf4 n LEU 70 CO 0.33 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1nf4 n GLY 71 N 1.25 0.68 0.00 -0.72 0.00 -0.52 -4.90 105.19 100.97 1nf4 n GLY 71 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.60 1.27 3.05 -0.02 0.00 -0.10 -4.98 105.19 101.81 1nf4 n GLY 72 Ca 0.00 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.51 2.43 0.18 1.61 2.56 -1.26 -4.36 118.70 118.35 1nf4 s GLU 73 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 54.97 54.04 1nf4 s GLU 73 Cb 0.00 -2.16 -0.10 0.00 2.00 0.00 0.00 34.13 33.88 1nf4 s GLU 73 CO 0.00 -0.19 1.49 -2.14 -0.56 0.00 0.00 175.26 173.86 1nf4 s PRO 74 N 1.33 4.26 0.77 4.30 0.02 -1.26 -4.98 135.00 139.44 1nf4 s PRO 74 Ca 0.02 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 1nf4 s PRO 74 Cb -0.13 -3.16 0.06 0.00 0.02 0.00 0.00 34.50 31.29 1nf4 s PRO 74 CO -0.09 -0.51 1.12 -0.08 -0.33 0.00 0.00 177.00 177.11 1nf4 s THR 75 N 0.80 2.88 -0.68 0.99 -1.32 -1.26 -4.95 115.64 112.10 1nf4 s THR 75 Ca 0.66 0.33 0.08 0.00 -1.21 0.00 0.00 61.69 61.54 1nf4 s THR 75 Cb -0.42 -2.73 0.21 0.00 -1.51 0.00 0.00 72.50 68.05 1nf4 s THR 75 CO 0.34 -0.33 1.16 0.35 -2.21 0.00 0.00 174.62 173.93 1nf4 n THR 76 N -3.33 0.94 -3.96 5.08 -2.24 -1.26 -4.94 114.28 104.57 1nf4 n THR 76 Ca 0.11 -0.97 -0.35 0.00 -2.27 0.00 0.00 64.05 60.56 1nf4 n THR 76 Cb 0.52 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.98 3.92 0.54 -0.78 -0.21 -1.26 -5.09 119.66 115.80 1nf4 s GLN 77 Ca 0.16 -0.37 -0.15 0.00 0.02 0.00 0.00 55.36 55.02 1nf4 s GLN 77 Cb 0.08 -3.24 -0.07 0.00 1.00 0.00 0.00 33.01 30.78 1nf4 s GLN 77 CO 0.11 0.18 1.00 -1.59 -2.12 0.00 0.00 175.29 172.88 1nf4 s LYS 78 N 0.62 3.81 -0.13 2.91 -2.85 -1.26 -4.43 119.74 118.41 1nf4 s LYS 78 Ca 0.03 0.94 -0.10 0.00 -1.00 0.00 0.00 55.97 55.85 1nf4 s LYS 78 Cb -0.13 -2.11 -0.05 0.00 -2.06 0.00 0.00 37.83 33.48 1nf4 s LYS 78 CO 0.01 -0.39 0.20 -2.00 0.10 0.00 0.00 175.35 173.28 1nf4 s GLU 79 N -4.28 3.85 0.54 1.78 2.56 -0.65 -4.93 118.70 117.56 1nf4 s GLU 79 Ca 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 54.97 55.51 1nf4 s GLU 79 Cb -0.11 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.72 1nf4 s GLU 79 CO 0.36 0.54 0.00 0.41 -0.56 0.00 0.00 175.26 176.01 1nf4 n GLY 80 N 2.64 -2.01 3.61 -1.50 0.00 -1.26 -4.65 105.19 102.02 1nf4 n GLY 80 Ca -0.17 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.86 2.22 -0.08 1.61 1.02 -1.26 -5.04 119.74 117.35 1nf4 s LYS 81 Ca 0.00 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 1nf4 s LYS 81 Cb 0.00 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1nf4 s LYS 81 CO 0.00 0.47 1.01 0.08 -0.92 0.00 0.00 175.35 175.99 1nf4 s VAL 82 N -1.57 4.76 -0.13 3.17 1.01 -1.26 -5.04 120.40 121.35 1nf4 s VAL 82 Ca 0.25 2.02 -0.19 0.00 0.00 0.00 0.00 61.98 64.06 1nf4 s VAL 82 Cb -0.10 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1nf4 s VAL 82 CO 0.16 0.03 0.50 -0.69 0.00 0.00 0.00 175.10 175.10 1nf4 s VAL 83 N 1.86 5.17 0.36 2.92 1.01 -1.26 -5.08 120.40 125.37 1nf4 s VAL 83 Ca 0.49 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1nf4 s VAL 83 Cb -0.19 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1nf4 s VAL 83 CO 0.20 0.30 0.23 0.42 0.00 0.00 0.00 175.10 176.24 1nf4 s THR 84 N 0.81 3.07 -1.63 3.92 -4.23 -1.26 -4.69 115.64 111.62 1nf4 s THR 84 Ca 0.26 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1nf4 s THR 84 Cb -0.15 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1nf4 s THR 84 CO 0.11 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1nf4 n GLY 85 N -1.29 0.38 3.77 3.99 0.00 -1.26 -4.98 105.19 105.81 1nf4 n GLY 85 Ca -0.02 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.38 4.40 0.58 1.61 -0.21 -1.26 -5.02 119.66 115.37 1nf4 s GLN 86 Ca 0.00 1.99 -0.14 0.00 0.02 0.00 0.00 55.36 57.23 1nf4 s GLN 86 Cb 0.00 -3.04 -0.05 0.00 1.00 0.00 0.00 33.01 30.92 1nf4 s GLN 86 CO 0.00 -0.07 1.02 0.00 -2.12 0.00 0.00 175.29 174.12 1nf4 s ALA 87 N -1.20 2.99 0.22 6.09 0.00 -1.26 -4.77 121.76 123.83 1nf4 s ALA 87 Ca 0.49 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1nf4 s ALA 87 Cb -0.35 -3.13 0.25 0.00 0.00 0.00 0.00 23.12 19.90 1nf4 s ALA 87 CO 0.46 -0.57 1.61 0.28 0.00 0.00 0.00 175.76 177.53 1nf4 h VAL 88 N 0.25 0.27 -0.87 0.00 2.07 -2.00 0.26 116.25 116.24 1nf4 h VAL 88 Ca -0.45 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1nf4 h VAL 88 Cb 1.19 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1nf4 h VAL 88 CO 0.61 0.00 0.57 -0.65 0.02 0.00 0.00 177.57 178.12 1nf4 h PRO 89 N -0.03 1.10 -0.21 1.57 0.11 -1.99 -2.30 132.00 130.25 1nf4 h PRO 89 Ca 0.32 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.23 1nf4 h PRO 89 Cb 0.52 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1nf4 h PRO 89 CO -0.72 0.73 -0.42 0.28 -0.21 0.00 0.00 178.00 177.66 1nf4 h VAL 90 N 1.13 1.31 -0.34 3.15 2.07 -0.95 -2.20 116.25 120.42 1nf4 h VAL 90 Ca 0.33 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1nf4 h VAL 90 Cb -0.06 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1nf4 h VAL 90 CO -0.08 0.50 0.10 0.40 0.02 0.00 0.00 177.57 178.50 1nf4 h ILE 91 N 0.41 0.88 0.03 4.57 2.04 -0.42 -0.77 117.51 124.25 1nf4 h ILE 91 Ca 0.03 -0.08 -0.22 0.00 1.00 0.00 0.00 64.86 65.59 1nf4 h ILE 91 Cb 0.91 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1nf4 h ILE 91 CO 0.08 0.04 -1.00 1.88 0.00 0.00 0.00 178.15 179.16 1nf4 h TYR 92 N 0.24 0.24 -0.34 1.37 -1.99 -1.45 -1.30 116.97 113.74 1nf4 h TYR 92 Ca 0.16 -0.15 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1nf4 h TYR 92 Cb 0.15 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1nf4 h TYR 92 CO -0.15 1.05 -0.14 1.49 -0.00 0.00 0.00 178.16 180.41 1nf4 h GLU 93 N 0.06 0.68 -0.35 4.88 4.81 -1.27 -2.13 114.58 121.27 1nf4 h GLU 93 Ca -0.05 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1nf4 h GLU 93 Cb 1.69 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1nf4 h GLU 93 CO 0.15 0.88 -0.30 0.77 -0.73 0.00 0.00 179.01 179.78 1nf4 h SER 94 N 0.46 0.86 -0.49 1.04 0.02 -1.16 -1.80 113.55 112.48 1nf4 h SER 94 Ca 0.08 -0.46 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1nf4 h SER 94 Cb 0.66 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1nf4 h SER 94 CO 0.04 1.14 0.06 0.44 -1.14 0.00 0.00 176.83 177.37 1nf4 h ASP 95 N 0.60 0.84 -0.54 3.07 3.32 -1.25 0.51 116.42 122.97 1nf4 h ASP 95 Ca 0.06 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1nf4 h ASP 95 Cb 0.88 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1nf4 h ASP 95 CO 0.08 0.87 0.34 0.00 -1.72 0.00 0.00 179.24 178.81 1nf4 h ALA 96 N 1.22 0.69 -0.56 3.45 0.00 -1.31 0.11 119.26 122.87 1nf4 h ALA 96 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 96 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nf4 h ALA 96 CO 0.01 0.06 0.19 -0.44 0.00 0.00 0.00 179.25 179.08 1nf4 h ASP 97 N 0.67 0.76 -0.29 0.00 3.32 -0.38 -2.31 116.42 118.20 1nf4 h ASP 97 Ca 0.21 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 1nf4 h ASP 97 Cb -0.01 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1nf4 h ASP 97 CO -0.08 0.71 -0.51 -0.61 -1.72 0.00 0.00 179.24 177.03 1nf4 h GLN 98 N 0.81 0.85 -0.51 3.56 4.15 0.50 -1.95 115.11 122.52 1nf4 h GLN 98 Ca 0.19 -0.53 -0.06 0.00 0.77 0.00 0.00 58.65 59.02 1nf4 h GLN 98 Cb 0.21 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1nf4 h GLN 98 CO -0.01 1.17 0.09 0.93 -1.93 0.00 0.00 178.83 179.08 1nf4 h GLU 99 N 0.63 0.84 -0.42 1.69 4.39 -0.62 -0.96 114.58 120.14 1nf4 h GLU 99 Ca 0.02 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1nf4 h GLU 99 Cb 1.11 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1nf4 h GLU 99 CO 0.11 0.83 0.26 0.22 -1.16 0.00 0.00 179.01 179.28 1nf4 h ASP 100 N 0.73 0.49 0.15 1.42 1.82 -1.44 -0.09 116.42 119.51 1nf4 h ASP 100 Ca 0.16 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1nf4 h ASP 100 Cb 0.39 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1nf4 h ASP 100 CO 0.01 0.38 -0.20 0.00 -1.61 0.00 0.00 179.24 177.82 1nf4 h ALA 101 N 1.13 1.56 -0.43 -0.78 0.00 -1.16 -1.74 119.26 117.84 1nf4 h ALA 101 Ca 0.15 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1nf4 h ALA 101 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nf4 h ALA 101 CO -0.03 0.32 -0.26 1.15 0.00 0.00 0.00 179.25 180.43 1nf4 h THR 102 N 0.09 1.27 -0.60 0.00 2.02 -0.44 -1.85 112.91 113.40 1nf4 h THR 102 Ca 0.02 -1.42 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 1nf4 h THR 102 Cb 0.41 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1nf4 h THR 102 CO 0.03 0.48 0.00 0.40 0.37 0.00 0.00 175.52 176.80 1nf4 h ILE 103 N 0.76 1.26 -0.46 3.11 2.04 -0.44 0.12 117.51 123.90 1nf4 h ILE 103 Ca 0.09 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1nf4 h ILE 103 Cb 0.84 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1nf4 h ILE 103 CO 0.07 0.41 0.27 -0.33 0.00 0.00 0.00 178.15 178.57 1nf4 h GLU 104 N 0.96 0.64 -0.02 2.37 4.39 -1.28 -2.01 114.58 119.62 1nf4 h GLU 104 Ca 0.17 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1nf4 h GLU 104 Cb 0.55 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1nf4 h GLU 104 CO 0.03 0.49 0.01 0.00 -1.16 0.00 0.00 179.01 178.37 1nf4 h ALA 105 N 1.12 0.03 0.00 3.43 0.00 -0.95 -2.80 119.26 120.08 1nf4 h ALA 105 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 105 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nf4 h ALA 105 CO -0.03 -0.36 -0.00 1.88 0.00 0.00 0.00 179.25 180.74 1nf4 h TYR 106 N -0.18 0.00 -0.02 0.00 -1.99 -0.92 -0.89 116.97 112.96 1nf4 h TYR 106 Ca 0.01 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.60 1nf4 h TYR 106 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1nf4 h TYR 106 CO 0.00 0.00 -0.63 0.77 -0.00 0.00 0.00 178.16 178.31 1nf4 h SER 107 N 0.00 0.10 0.08 3.88 0.02 -1.11 0.19 113.55 116.70 1nf4 h SER 107 Ca -0.00 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.67 1nf4 h SER 107 Cb 0.01 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.54 1nf4 h SER 107 CO 0.00 0.70 -0.91 1.56 -1.14 0.00 0.00 176.83 177.03 1nf4 h GLN 108 N 0.06 0.49 -0.96 3.45 1.08 -1.06 -2.85 115.11 115.32 1nf4 h GLN 108 Ca -0.01 -0.62 0.09 0.00 -1.45 0.00 0.00 58.65 56.65 1nf4 h GLN 108 Cb 1.12 0.20 -0.07 0.00 -0.05 0.00 0.00 27.48 28.68 1nf4 h GLN 108 CO 0.09 1.25 0.60 0.74 -0.95 0.00 0.00 178.83 180.56 1nf4 h PHE 109 N 0.01 1.11 -0.72 2.96 0.05 -1.02 -1.15 116.94 118.18 1nf4 h PHE 109 Ca -0.14 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.68 1nf4 h PHE 109 Cb 1.63 -0.36 -0.03 0.00 2.00 0.00 0.00 35.95 39.19 1nf4 h PHE 109 CO 0.14 0.51 0.43 1.25 -0.18 0.00 0.00 178.31 180.47 1nf4 h LEU 110 N 1.04 0.87 -0.59 1.54 6.46 -0.66 -2.15 115.31 121.81 1nf4 h LEU 110 Ca 0.44 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.17 1nf4 h LEU 110 Cb 0.29 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1nf4 h LEU 110 CO -0.21 0.68 0.35 0.50 -0.62 0.00 0.00 178.44 179.14 1nf4 h LYS 111 N 0.99 0.66 -0.53 1.25 3.64 -1.09 -1.82 116.57 119.67 1nf4 h LYS 111 Ca 0.26 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1nf4 h LYS 111 Cb -0.03 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 1nf4 h LYS 111 CO -0.05 0.44 0.18 0.28 -2.27 0.00 0.00 179.45 178.03 1nf4 h VAL 112 N 0.68 0.80 -0.61 2.00 2.07 -0.74 -0.42 116.25 120.03 1nf4 h VAL 112 Ca 0.24 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1nf4 h VAL 112 Cb 0.06 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1nf4 h VAL 112 CO -0.12 0.06 0.35 0.00 0.02 0.00 0.00 177.57 177.89 1nf4 h LYS 114 N 0.68 0.94 -0.07 0.00 1.57 -0.90 0.34 116.57 119.14 1nf4 h LYS 114 Ca 0.26 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1nf4 h LYS 114 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1nf4 h LYS 114 CO -0.13 1.03 -0.05 0.93 -0.57 0.00 0.00 179.45 180.66 1nf4 h GLU 115 N 0.79 0.10 -0.52 3.15 5.08 -0.51 -2.26 114.58 120.41 1nf4 h GLU 115 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nf4 h GLU 115 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1nf4 h GLU 115 CO 0.05 0.16 0.00 1.04 -1.00 0.00 0.00 179.01 179.26 1nf4 n GLN 116 N -4.42 2.34 -3.23 2.33 1.13 0.31 -4.93 117.38 110.91 1nf4 n GLN 116 Ca -0.02 -1.77 -0.22 0.00 -1.94 0.00 0.00 57.00 53.05 1nf4 n GLN 116 Cb 0.17 -1.47 0.05 0.00 0.11 0.00 0.00 30.24 29.10 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 1.12 -0.46 3.06 1.08 0.00 -0.85 -4.87 105.19 104.27 1nf4 n GLY 117 Ca 0.16 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.99 5.31 0.10 1.61 -1.08 0.12 -4.92 116.67 114.82 1nf4 s ASP 118 Ca 0.41 -3.24 -0.17 0.00 -0.52 0.00 0.00 52.55 49.03 1nf4 s ASP 118 Cb -0.18 -1.82 -0.05 0.00 -1.46 0.00 0.00 42.92 39.40 1nf4 s ASP 118 CO 0.51 -0.27 1.58 0.40 0.52 0.00 0.00 175.17 177.91 1nf4 h ILE 119 N 4.84 1.23 -0.58 4.11 1.08 -1.93 -0.12 117.51 126.14 1nf4 h ILE 119 Ca 0.05 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1nf4 h ILE 119 Cb 0.88 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1nf4 h ILE 119 CO 0.75 0.27 0.31 0.58 -0.69 0.00 0.00 178.15 179.37 1nf4 h VAL 120 N 0.34 1.19 -0.27 1.67 2.07 -1.97 -0.63 116.25 118.66 1nf4 h VAL 120 Ca 0.09 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.94 1nf4 h VAL 120 Cb 0.35 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1nf4 h VAL 120 CO 0.01 0.21 -0.50 0.74 0.02 0.00 0.00 177.57 178.05 1nf4 h THR 121 N 0.79 1.29 -0.59 2.57 2.02 -1.94 -2.50 112.91 114.55 1nf4 h THR 121 Ca 0.20 -1.70 0.09 0.00 0.77 0.00 0.00 66.41 65.77 1nf4 h THR 121 Cb 0.06 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.01 1nf4 h THR 121 CO -0.03 0.55 0.22 0.00 0.37 0.00 0.00 175.52 176.63 1nf4 h ALA 122 N 0.83 0.76 -0.21 6.16 0.00 -0.51 -1.92 119.26 124.37 1nf4 h ALA 122 Ca 0.02 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 122 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nf4 h ALA 122 CO 0.11 -0.19 -0.15 -0.09 0.00 0.00 0.00 179.25 178.92 1nf4 h ARG 123 N 0.40 0.34 0.03 0.00 9.65 -1.00 -2.08 114.38 121.73 1nf4 h ARG 123 Ca 0.30 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1nf4 h ARG 123 Cb 0.36 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1nf4 h ARG 123 CO -0.30 0.50 -0.02 1.25 2.80 0.00 0.00 179.97 184.20 1nf4 h LEU 124 N 0.32 -0.04 -1.28 3.80 5.85 -0.91 -1.22 115.31 121.84 1nf4 h LEU 124 Ca 0.06 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1nf4 h LEU 124 Cb 0.46 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1nf4 h LEU 124 CO 0.03 0.16 0.49 -0.26 -0.34 0.00 0.00 178.44 178.52 1nf4 h PHE 125 N -0.23 0.91 0.06 1.25 -1.00 -1.29 -1.27 116.94 115.36 1nf4 h PHE 125 Ca -0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.80 1nf4 h PHE 125 Cb 0.22 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1nf4 h PHE 125 CO -0.01 0.56 -0.08 1.49 -1.61 0.00 0.00 178.31 178.66 1nf4 h GLU 126 N 0.97 -0.16 -0.70 1.51 4.81 -1.14 0.29 114.58 120.16 1nf4 h GLU 126 Ca 0.28 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1nf4 h GLU 126 Cb -0.05 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1nf4 h GLU 126 CO -0.07 -0.10 0.36 0.00 -0.73 0.00 0.00 179.01 178.47 1nf4 h ARG 127 N -0.16 1.00 -0.12 1.92 3.08 -0.93 -2.15 114.38 117.02 1nf4 h ARG 127 Ca 0.01 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 1nf4 h ARG 127 Cb 0.17 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1nf4 h ARG 127 CO -0.04 0.77 -0.51 0.82 -1.07 0.00 0.00 179.97 179.94 1nf4 h ILE 128 N 0.97 1.34 -0.69 2.04 2.04 -1.02 -2.71 117.51 119.49 1nf4 h ILE 128 Ca 0.24 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1nf4 h ILE 128 Cb 0.08 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1nf4 h ILE 128 CO -0.03 0.53 0.44 0.40 0.00 0.00 0.00 178.15 179.48 1nf4 h ILE 129 N 0.25 1.18 -0.44 -0.67 2.04 -0.18 0.11 117.51 119.80 1nf4 h ILE 129 Ca 0.01 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1nf4 h ILE 129 Cb 0.98 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1nf4 h ILE 129 CO 0.08 0.18 0.26 -0.33 0.00 0.00 0.00 178.15 178.35 1nf4 h GLU 130 N 0.93 0.59 -0.10 2.37 5.08 -1.22 -0.56 114.58 121.67 1nf4 h GLU 130 Ca 0.25 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 1nf4 h GLU 130 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1nf4 h GLU 130 CO -0.05 0.41 -0.62 0.93 -1.00 0.00 0.00 179.01 178.69 1nf4 h GLU 131 N 0.60 0.34 -0.50 2.33 5.08 -0.86 -2.59 114.58 118.98 1nf4 h GLU 131 Ca 0.16 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1nf4 h GLU 131 Cb -0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1nf4 h GLU 131 CO -0.03 0.85 0.20 0.93 -1.00 0.00 0.00 179.01 179.96 1nf4 h GLU 132 N 0.25 0.72 -0.87 2.33 4.39 -0.23 -1.92 114.58 119.25 1nf4 h GLU 132 Ca -0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1nf4 h GLU 132 Cb 1.14 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 1nf4 h GLU 132 CO 0.10 0.60 0.55 0.37 -1.16 0.00 0.00 179.01 179.47 1nf4 h GLN 133 N 0.71 1.16 -0.46 2.33 5.75 -0.74 0.22 115.11 124.09 1nf4 h GLN 133 Ca 0.17 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1nf4 h GLN 133 Cb 0.15 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1nf4 h GLN 133 CO -0.02 0.79 -0.04 0.00 -2.65 0.00 0.00 178.83 176.91 1nf4 h ALA 134 N 1.42 1.05 -0.21 3.38 0.00 -1.16 -0.97 119.26 122.77 1nf4 h ALA 134 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 134 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1nf4 h ALA 134 CO -0.06 0.59 -0.00 0.45 0.00 0.00 0.00 179.25 180.22 1nf4 h HIS 135 N 0.73 0.40 -0.03 0.00 3.86 -0.56 -2.10 115.15 117.46 1nf4 h HIS 135 Ca 0.14 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1nf4 h HIS 135 Cb 0.51 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 1nf4 h HIS 135 CO 0.03 0.56 -0.24 1.25 0.86 0.00 0.00 177.93 180.38 1nf4 h LEU 136 N 0.13 -0.72 -0.86 2.43 5.85 -0.44 -1.68 115.31 120.02 1nf4 h LEU 136 Ca 0.06 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1nf4 h LEU 136 Cb 0.40 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1nf4 h LEU 136 CO 0.01 -0.31 0.49 0.74 -0.34 0.00 0.00 178.44 179.04 1nf4 h THR 137 N -0.36 0.89 0.05 1.05 2.02 -1.14 -1.30 112.91 114.12 1nf4 h THR 137 Ca 0.07 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1nf4 h THR 137 Cb 0.46 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1nf4 h THR 137 CO -0.24 0.15 -0.02 0.22 0.37 0.00 0.00 175.52 176.00 1nf4 h TYR 138 N 0.80 -0.06 -0.64 3.16 3.20 -0.78 -1.61 116.97 121.03 1nf4 h TYR 138 Ca 0.42 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 1nf4 h TYR 138 Cb 0.42 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1nf4 h TYR 138 CO -0.06 0.05 0.19 1.88 -1.64 0.00 0.00 178.16 178.57 1nf4 h TYR 139 N -0.15 1.02 -0.70 -3.82 0.99 -0.94 -1.32 116.97 112.04 1nf4 h TYR 139 Ca -0.01 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1nf4 h TYR 139 Cb 0.13 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.53 1nf4 h TYR 139 CO -0.05 0.83 0.35 0.93 -0.00 0.00 0.00 178.16 180.22 1nf4 h GLU 140 N 0.95 1.00 -0.30 4.88 5.08 -1.10 0.22 114.58 125.32 1nf4 h GLU 140 Ca 0.21 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1nf4 h GLU 140 Cb 0.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1nf4 h GLU 140 CO -0.01 0.77 0.09 -0.91 -1.00 0.00 0.00 179.01 177.96 1nf4 h ASN 141 N 0.97 0.44 0.06 1.42 2.35 -0.87 0.21 115.58 120.15 1nf4 h ASN 141 Ca 0.24 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1nf4 h ASN 141 Cb 0.09 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1nf4 h ASN 141 CO -0.03 0.53 -0.03 0.40 -1.65 0.00 0.00 177.43 176.64 1nf4 h ILE 142 N 0.33 1.01 -0.93 2.81 1.08 -1.09 -1.44 117.51 119.27 1nf4 h ILE 142 Ca 0.10 -0.22 0.15 0.00 -0.39 0.00 0.00 64.86 64.50 1nf4 h ILE 142 Cb 0.24 1.16 -0.08 0.00 -3.07 0.00 0.00 36.82 35.07 1nf4 h ILE 142 CO -0.00 0.05 0.59 1.23 -0.69 0.00 0.00 178.15 179.34 1nf4 h GLY 143 N -0.17 1.33 1.06 5.37 0.00 -0.77 -0.45 103.07 109.44 1nf4 h GLY 143 Ca -0.01 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1nf4 h GLY 143 CO 0.01 0.07 0.12 0.23 0.00 0.00 0.00 176.54 176.97 1nf4 h SER 144 N 0.72 1.05 0.51 0.19 0.87 -0.12 -1.39 113.55 115.39 1nf4 h SER 144 Ca 0.48 -0.25 -0.16 0.00 -1.23 0.00 0.00 61.79 60.63 1nf4 h SER 144 Cb 0.76 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1nf4 h SER 144 CO -0.24 1.04 -0.69 0.45 -0.53 0.00 0.00 176.83 176.86 1nf4 h HIS 145 N 1.02 0.21 -0.32 2.24 -0.00 -0.07 -1.65 115.15 116.58 1nf4 h HIS 145 Ca 0.20 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1nf4 h HIS 145 Cb 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1nf4 h HIS 145 CO 0.03 0.79 -0.14 0.82 -0.00 0.00 0.00 177.93 179.43 1nf4 h ILE 146 N 0.11 1.29 0.33 2.45 2.04 -1.09 0.10 117.51 122.74 1nf4 h ILE 146 Ca -0.02 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 1nf4 h ILE 146 Cb 1.23 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1nf4 h ILE 146 CO 0.10 0.40 -0.16 0.50 0.00 0.00 0.00 178.15 178.99 1nf4 h LYS 147 N 0.42 -0.43 0.00 2.37 3.64 -1.19 0.34 116.57 121.73 1nf4 h LYS 147 Ca 0.07 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1nf4 h LYS 147 Cb 0.67 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1nf4 h LYS 147 CO 0.04 -0.25 -0.62 -0.91 -2.27 0.00 0.00 179.45 175.45 1nf4 h ASN 148 N -0.50 0.00 0.00 4.20 2.35 -1.33 -3.38 115.58 116.92 1nf4 h ASN 148 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1nf4 h ASN 148 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1nf4 h ASN 148 CO 0.07 0.61 -0.32 0.18 -1.65 0.00 0.00 177.43 176.32 1nf4 n LEU 149 N -3.25 0.00 0.00 1.61 4.77 0.34 -5.08 117.00 115.40 1nf4 n LEU 149 Ca 0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1nf4 n LEU 149 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1nf4 n LEU 149 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1nf4 n GLY 150 N 1.48 2.80 0.26 -0.72 0.00 0.12 -1.75 105.19 107.38 1nf4 n GLY 150 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 -0.51 1.61 3.32 -1.92 -2.61 116.42 116.31 1nf4 h ASP 151 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1nf4 h ASP 151 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1nf4 h ASP 151 CO 0.00 0.11 -0.10 0.74 -1.72 0.00 0.00 179.24 178.27 1nf4 h THR 152 N 0.00 1.27 -0.00 0.35 2.02 -1.75 -0.69 112.91 114.10 1nf4 h THR 152 Ca -0.00 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1nf4 h THR 152 Cb 0.50 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1nf4 h THR 152 CO 0.01 0.44 0.00 0.22 0.37 0.00 0.00 175.52 176.56 1nf4 h TYR 153 N 0.88 0.00 -0.36 3.16 3.20 -1.48 -3.19 116.97 119.18 1nf4 h TYR 153 Ca 0.14 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.05 1nf4 h TYR 153 Cb 0.65 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1nf4 h TYR 153 CO 0.04 0.22 0.24 -0.07 -1.64 0.00 0.00 178.16 176.95 1nf4 h LEU 154 N -0.21 0.27 -1.90 2.82 3.38 -1.35 0.07 115.31 118.39 1nf4 h LEU 154 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1nf4 h LEU 154 Cb 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1nf4 h LEU 154 CO -0.00 0.19 -0.10 0.00 0.09 0.00 0.00 178.44 178.62 1nf4 h ALA 155 N 1.80 1.69 0.00 1.53 0.00 -1.11 -1.17 119.26 122.00 1nf4 h ALA 155 Ca 0.15 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 155 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nf4 h ALA 155 CO -0.03 0.12 -0.54 -0.22 0.00 0.00 0.00 179.25 178.58 1nf4 h LYS 156 N 0.00 0.00 0.00 0.00 3.64 -1.02 -3.24 116.57 115.95 1nf4 h LYS 156 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1nf4 h LYS 156 Cb 0.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1nf4 h LYS 156 CO 0.01 0.54 -1.48 -0.89 -2.27 0.00 0.00 179.45 175.36 1nf4 n ILE 157 N -3.78 1.21 -1.65 2.00 2.08 -0.63 -4.80 119.36 113.79 1nf4 n ILE 157 Ca -0.01 -0.70 -0.49 0.00 0.56 0.00 0.00 62.75 62.11 1nf4 n ILE 157 Cb 0.57 -0.75 -0.05 0.00 -0.75 0.00 0.00 39.64 38.66 1nf4 n ILE 157 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nf4 n ALA 158 N -2.42 0.48 -0.95 -1.39 0.00 -0.54 -1.90 120.51 113.79 1nf4 n ALA 158 Ca -0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nf4 n ALA 158 Cb 0.86 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 3.32 0.69 3.80 0.00 0.00 -0.74 -4.97 105.19 107.29 1nf4 n GLY 159 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.90 3.39 0.43 2.61 -4.23 -0.80 -4.93 115.64 109.21 1nf4 s THR 160 Ca 0.00 0.45 -0.25 0.00 -1.18 0.00 0.00 61.69 60.71 1nf4 s THR 160 Cb 0.00 -3.15 -0.10 0.00 1.34 0.00 0.00 72.50 70.59 1nf4 s THR 160 CO 0.00 -0.59 1.30 -2.65 -0.54 0.00 0.00 174.62 172.14 1nf4 n PRO 161 N -3.37 1.99 0.00 3.99 -0.02 -1.26 -3.74 135.00 132.58 1nf4 n PRO 161 Ca 0.07 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 1nf4 n PRO 161 Cb 0.55 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.14 1.21 -4.74 2.55 3.41 -1.26 -2.67 113.62 112.26 1nf4 n SER 162 Ca 0.06 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 1nf4 n SER 162 Cb 0.40 0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 1nf4 n SER 162 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nf4 n SER 163 N -0.29 3.58 -1.00 4.04 2.88 -1.26 -4.17 113.62 117.40 1nf4 n SER 163 Ca 0.04 1.18 0.10 0.00 -1.33 0.00 0.00 58.87 58.86 1nf4 n SER 163 Cb 0.22 -1.57 0.21 0.00 -0.75 0.00 0.00 64.21 62.31 1nf4 n SER 163 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nf4 n THR 164 N 1.36 0.68 0.00 2.46 -2.24 -1.26 -4.93 114.28 110.35 1nf4 n THR 164 Ca 0.06 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1nf4 n THR 164 Cb 0.37 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.21 1.14 3.32 3.38 0.00 -1.26 -5.05 105.19 107.93 1nf4 n GLY 165 Ca 0.17 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.84 0.91 -1.68 2.61 -2.24 -1.26 -4.85 114.28 106.93 1nf4 n THR 166 Ca 0.00 -0.48 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1nf4 n THR 166 Cb 0.00 -0.32 0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf4 n ALA 167 N -1.85 0.77 -1.41 6.98 0.00 -1.26 -4.87 120.51 118.87 1nf4 n ALA 167 Ca 0.08 0.01 -0.48 0.00 0.00 0.00 0.00 53.44 53.05 1nf4 n ALA 167 Cb 0.49 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 1nf4 n ALA 167 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nf4 n SER 168 N -1.40 0.45 -4.67 0.00 3.41 -1.26 -4.87 113.62 105.28 1nf4 n SER 168 Ca 0.15 0.36 -0.52 0.00 -0.26 0.00 0.00 58.87 58.60 1nf4 n SER 168 Cb 0.48 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 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 8.12 1.71 -0.90 4.33 5.02 -1.26 -4.91 118.16 130.26 1nf4 n LYS 169 Ca 0.62 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 1nf4 n LYS 169 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 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 4.55 5.07 0.08 0.72 0.00 -1.26 -5.09 105.19 109.26 1nf4 n GLY 170 Ca 0.26 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 0.45 -0.04 0.00 1.61 3.57 -2.05 -3.56 116.94 116.92 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 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1nf4 h PHE 171 CO 0.00 0.66 0.00 0.28 -2.23 0.00 0.00 178.31 177.02