#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 1.26 -0.49 -3.83 2.47 -2.01 -2.06 114.38 109.71 1nf4 h ARG 5 Ca 0.00 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.47 1nf4 h ARG 5 Cb 0.00 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.06 1nf4 h ARG 5 CO 0.00 0.92 -0.09 0.93 0.56 0.00 0.00 179.97 182.29 1nf4 h GLU 6 N 1.26 0.92 -0.10 0.04 5.08 -2.01 -2.14 114.58 117.64 1nf4 h GLU 6 Ca 0.31 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1nf4 h GLU 6 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1nf4 h GLU 6 CO -0.05 1.00 -0.57 0.22 -1.00 0.00 0.00 179.01 178.60 1nf4 h ASP 7 N 0.78 0.35 -0.26 1.42 1.82 -1.96 -1.06 116.42 117.50 1nf4 h ASP 7 Ca 0.13 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1nf4 h ASP 7 Cb 0.64 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 1nf4 h ASP 7 CO 0.04 0.85 0.15 0.03 -1.61 0.00 0.00 179.24 178.70 1nf4 h ARG 8 N 0.24 0.37 -0.23 0.28 3.08 -1.27 -0.86 114.38 115.99 1nf4 h ARG 8 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1nf4 h ARG 8 Cb 1.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1nf4 h ARG 8 CO 0.09 0.32 0.05 0.87 -1.07 0.00 0.00 179.97 180.23 1nf4 h LYS 9 N 0.32 0.37 -0.82 0.04 1.57 -1.33 -2.43 116.57 114.29 1nf4 h LYS 9 Ca 0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1nf4 h LYS 9 Cb 0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1nf4 h LYS 9 CO -0.02 0.48 0.47 0.00 -0.57 0.00 0.00 179.45 179.81 1nf4 h ALA 10 N 0.87 1.27 -0.07 3.86 0.00 -1.06 0.31 119.26 124.46 1nf4 h ALA 10 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1nf4 h ALA 10 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nf4 h ALA 10 CO 0.00 0.60 -0.43 0.87 0.00 0.00 0.00 179.25 180.29 1nf4 h LYS 11 N 1.14 0.15 -0.03 0.00 1.57 -1.09 -1.30 116.57 117.01 1nf4 h LYS 11 Ca 0.29 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.75 1nf4 h LYS 11 Cb -0.00 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1nf4 h LYS 11 CO -0.05 0.56 -0.96 0.28 -0.57 0.00 0.00 179.45 178.71 1nf4 h VAL 12 N 0.13 1.32 -0.48 0.50 2.07 -0.83 -3.01 116.25 115.94 1nf4 h VAL 12 Ca 0.01 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.28 1nf4 h VAL 12 Cb 0.82 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1nf4 h VAL 12 CO 0.06 0.69 0.32 0.40 0.02 0.00 0.00 177.57 179.07 1nf4 h ILE 13 N 0.37 1.10 -0.36 4.57 2.04 -0.17 -0.49 117.51 124.57 1nf4 h ILE 13 Ca -0.10 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1nf4 h ILE 13 Cb 1.60 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1nf4 h ILE 13 CO 0.18 0.11 0.06 -0.08 0.00 0.00 0.00 178.15 178.43 1nf4 h GLU 14 N 0.62 0.59 0.00 2.37 4.81 -1.17 -0.59 114.58 121.22 1nf4 h GLU 14 Ca 0.18 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1nf4 h GLU 14 Cb -0.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1nf4 h GLU 14 CO -0.04 0.66 -0.66 -0.39 -0.73 0.00 0.00 179.01 177.85 1nf4 h VAL 15 N 0.44 1.40 -0.75 0.32 -1.51 -1.28 -1.89 116.25 112.97 1nf4 h VAL 15 Ca 0.11 -2.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.23 1nf4 h VAL 15 Cb 0.35 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.76 1nf4 h VAL 15 CO 0.01 0.65 0.41 -0.07 -1.23 0.00 0.00 177.57 177.34 1nf4 h LEU 16 N 0.00 0.94 -0.63 4.19 3.38 -0.85 -0.76 115.31 121.58 1nf4 h LEU 16 Ca -0.01 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1nf4 h LEU 16 Cb 1.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1nf4 h LEU 16 CO 0.09 0.77 -0.58 0.78 0.09 0.00 0.00 178.44 179.58 1nf4 h ASN 17 N 1.04 0.37 -0.29 -0.43 2.35 -0.96 -0.40 115.58 117.25 1nf4 h ASN 17 Ca 0.26 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1nf4 h ASN 17 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1nf4 h ASN 17 CO -0.04 0.87 0.16 0.11 -1.65 0.00 0.00 177.43 176.88 1nf4 h LYS 18 N 0.25 0.40 -0.44 0.81 1.57 -0.99 0.04 116.57 118.20 1nf4 h LYS 18 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1nf4 h LYS 18 Cb 1.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1nf4 h LYS 18 CO 0.09 0.33 0.21 0.00 -0.57 0.00 0.00 179.45 179.52 1nf4 h ALA 19 N 1.04 0.57 -0.59 3.86 0.00 -0.98 -2.01 119.26 121.16 1nf4 h ALA 19 Ca 0.10 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 19 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 19 CO -0.02 0.14 0.30 -0.09 0.00 0.00 0.00 179.25 179.58 1nf4 h ARG 20 N 0.57 0.55 -0.48 0.00 2.43 -0.89 0.50 114.38 117.06 1nf4 h ARG 20 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1nf4 h ARG 20 Cb 0.13 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1nf4 h ARG 20 CO -0.02 0.36 0.20 0.00 -1.51 0.00 0.00 179.97 179.01 1nf4 h ALA 21 N 1.32 1.45 -0.43 2.80 0.00 -0.68 0.25 119.26 123.97 1nf4 h ALA 21 Ca 0.27 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 21 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nf4 h ALA 21 CO -0.19 0.42 -0.26 0.52 0.00 0.00 0.00 179.25 179.74 1nf4 h MET 22 N 0.68 0.93 -0.63 0.00 2.86 -0.54 0.57 114.93 118.79 1nf4 h MET 22 Ca 0.17 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1nf4 h MET 22 Cb 0.12 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1nf4 h MET 22 CO -0.02 1.07 0.29 0.93 1.06 0.00 0.00 176.91 180.25 1nf4 h GLU 23 N 0.79 0.92 -0.82 1.72 4.39 -0.29 -1.02 114.58 120.26 1nf4 h GLU 23 Ca 0.09 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1nf4 h GLU 23 Cb 0.83 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1nf4 h GLU 23 CO 0.07 0.75 0.37 -0.07 -1.16 0.00 0.00 179.01 178.97 1nf4 h LEU 24 N 0.88 1.10 -0.26 1.33 3.38 -0.86 -1.00 115.31 119.89 1nf4 h LEU 24 Ca 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nf4 h LEU 24 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1nf4 h LEU 24 CO -0.02 0.95 0.14 -0.74 0.09 0.00 0.00 178.44 178.85 1nf4 h HIS 25 N 1.19 0.36 -0.93 1.13 2.76 -1.13 -2.81 115.15 115.71 1nf4 h HIS 25 Ca 0.28 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1nf4 h HIS 25 Cb 0.16 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.96 1nf4 h HIS 25 CO 0.02 0.32 0.60 0.00 -1.30 0.00 0.00 177.93 177.57 1nf4 h ALA 26 N 1.01 1.18 -0.33 5.26 0.00 -0.77 0.24 119.26 125.85 1nf4 h ALA 26 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1nf4 h ALA 26 Cb 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1nf4 h ALA 26 CO -0.01 0.60 0.18 0.82 0.00 0.00 0.00 179.25 180.84 1nf4 h ILE 27 N 1.27 1.01 -0.08 0.00 2.04 -1.07 -0.01 117.51 120.68 1nf4 h ILE 27 Ca 0.34 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.91 1nf4 h ILE 27 Cb -0.12 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1nf4 h ILE 27 CO -0.07 0.07 -0.66 0.45 0.00 0.00 0.00 178.15 177.93 1nf4 h HIS 28 N 0.38 0.42 -0.24 1.37 3.86 -1.22 -1.63 115.15 118.08 1nf4 h HIS 28 Ca 0.13 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1nf4 h HIS 28 Cb 0.02 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1nf4 h HIS 28 CO -0.08 0.88 -0.09 0.37 0.86 0.00 0.00 177.93 179.87 1nf4 h GLN 29 N 0.23 0.49 -0.15 2.45 5.75 -0.63 -1.22 115.11 122.02 1nf4 h GLN 29 Ca -0.02 -0.20 -0.19 0.00 -0.15 0.00 0.00 58.65 58.09 1nf4 h GLN 29 Cb 1.20 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1nf4 h GLN 29 CO 0.11 0.74 -0.68 1.88 -2.65 0.00 0.00 178.83 178.22 1nf4 h TYR 30 N 0.21 0.80 -0.50 3.99 0.99 -1.04 -2.47 116.97 118.95 1nf4 h TYR 30 Ca 0.06 -0.33 -0.11 0.00 2.00 0.00 0.00 58.73 60.34 1nf4 h TYR 30 Cb 0.58 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 38.16 1nf4 h TYR 30 CO 0.06 1.11 -0.14 0.52 -0.00 0.00 0.00 178.16 179.71 1nf4 h MET 31 N 0.44 0.95 -0.98 4.88 2.86 -1.31 0.22 114.93 121.99 1nf4 h MET 31 Ca -0.02 -0.36 0.08 0.00 -2.06 0.00 0.00 59.70 57.34 1nf4 h MET 31 Cb 1.27 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 1nf4 h MET 31 CO 0.13 1.02 0.62 -0.97 1.06 0.00 0.00 176.91 178.78 1nf4 h ASN 32 N 0.84 0.97 0.10 1.22 -0.73 -1.11 0.29 115.58 117.16 1nf4 h ASN 32 Ca 0.13 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.18 1nf4 h ASN 32 Cb 0.68 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 1nf4 h ASN 32 CO 0.05 0.58 -0.50 1.56 -0.37 0.00 0.00 177.43 178.75 1nf4 h GLN 33 N 1.08 0.45 -0.33 6.67 4.20 -0.99 -2.76 115.11 123.43 1nf4 h GLN 33 Ca 0.45 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1nf4 h GLN 33 Cb 0.28 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 1nf4 h GLN 33 CO -0.21 0.85 0.03 1.25 -0.67 0.00 0.00 178.83 180.08 1nf4 h HIS 34 N 0.36 0.03 -0.56 2.96 2.76 0.11 0.40 115.15 121.21 1nf4 h HIS 34 Ca 0.02 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1nf4 h HIS 34 Cb 1.01 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 1nf4 h HIS 34 CO 0.03 -0.03 0.26 1.88 -1.30 0.00 0.00 177.93 178.77 1nf4 h TYR 35 N 0.13 0.78 -0.04 5.26 0.99 -0.88 -0.70 116.97 122.50 1nf4 h TYR 35 Ca 0.16 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1nf4 h TYR 35 Cb 0.20 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 1nf4 h TYR 35 CO -0.21 0.59 -0.03 0.77 -0.00 0.00 0.00 178.16 179.28 1nf4 h SER 36 N 0.79 0.10 -0.45 3.88 0.02 -1.09 -0.77 113.55 116.03 1nf4 h SER 36 Ca 0.19 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1nf4 h SER 36 Cb 0.10 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1nf4 h SER 36 CO -0.02 0.52 0.25 -0.07 -1.14 0.00 0.00 176.83 176.37 1nf4 h LEU 37 N -0.33 0.58 -0.23 5.07 3.38 -0.73 0.16 115.31 123.21 1nf4 h LEU 37 Ca 0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1nf4 h LEU 37 Cb 0.49 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1nf4 h LEU 37 CO 0.01 0.47 -0.08 -0.78 0.09 0.00 0.00 178.44 178.15 1nf4 h ASP 38 N 0.66 0.47 -0.74 -0.43 3.58 -1.09 -0.44 116.42 118.43 1nf4 h ASP 38 Ca 0.17 -0.39 0.02 0.00 0.42 0.00 0.00 57.03 57.25 1nf4 h ASP 38 Cb 0.03 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1nf4 h ASP 38 CO -0.03 0.75 0.49 -0.78 -2.88 0.00 0.00 179.24 176.79 1nf4 h ASP 39 N 0.19 0.81 0.73 2.28 3.58 -0.46 0.20 116.42 123.75 1nf4 h ASP 39 Ca 0.06 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1nf4 h ASP 39 Cb 0.56 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1nf4 h ASP 39 CO 0.03 0.57 0.00 0.23 -2.88 0.00 0.00 179.24 177.19 1nf4 n MET 40 N -4.44 0.10 -3.36 0.28 2.81 0.50 -4.92 117.12 108.08 1nf4 n MET 40 Ca 0.09 0.08 -0.18 0.00 -1.81 0.00 0.00 57.70 55.87 1nf4 n MET 40 Cb 0.08 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.16 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 -4.47 -4.03 7.83 2.03 0.69 -4.90 116.55 112.27 1nf4 n ASP 41 Ca 0.07 -0.48 -0.41 0.00 0.52 0.00 0.00 54.79 54.49 1nf4 n ASP 41 Cb 0.26 -4.39 -0.01 0.00 -0.72 0.00 0.00 41.12 36.26 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 -4.31 3.36 -0.14 -0.67 0.53 -0.38 -1.12 117.16 114.44 1nf4 n TYR 42 Ca -0.08 -3.26 -0.10 0.00 -1.02 0.00 0.00 57.90 53.44 1nf4 n TYR 42 Cb 0.58 -1.26 -0.05 0.00 -1.03 0.00 0.00 39.34 37.58 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 5.63 -0.59 1.77 2.72 0.00 -1.66 -0.08 103.07 110.87 1nf4 h GLY 43 Ca 0.19 0.56 -0.05 0.00 0.00 0.00 0.00 47.33 48.04 1nf4 h GLY 43 CO 1.15 -0.17 -0.10 -2.09 0.00 0.00 0.00 176.54 175.32 1nf4 h GLU 44 N -0.32 0.29 -0.38 4.80 4.81 -1.73 0.13 114.58 122.17 1nf4 h GLU 44 Ca 0.14 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 1nf4 h GLU 44 Cb 0.58 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1nf4 h GLU 44 CO -0.59 0.40 -0.37 -0.07 -0.73 0.00 0.00 179.01 177.65 1nf4 h LEU 45 N 0.28 0.99 -0.36 1.64 3.38 -1.63 -2.18 115.31 117.42 1nf4 h LEU 45 Ca 0.06 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1nf4 h LEU 45 Cb 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1nf4 h LEU 45 CO 0.02 1.25 0.23 0.00 0.09 0.00 0.00 178.44 180.03 1nf4 h ALA 46 N 0.77 0.45 -0.07 1.53 0.00 -0.16 -1.96 119.26 119.82 1nf4 h ALA 46 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 46 Cb 0.96 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1nf4 h ALA 46 CO 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1nf4 h ALA 47 N 1.12 0.10 -0.39 0.00 0.00 -0.79 -2.27 119.26 117.02 1nf4 h ALA 47 Ca 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nf4 h ALA 47 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nf4 h ALA 47 CO -0.03 -0.23 0.02 -0.91 0.00 0.00 0.00 179.25 178.10 1nf4 h ASN 48 N -0.15 0.58 -0.67 0.00 2.35 -1.40 -0.15 115.58 116.13 1nf4 h ASN 48 Ca 0.02 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1nf4 h ASN 48 Cb 0.33 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1nf4 h ASN 48 CO 0.00 0.64 0.23 -0.03 -1.65 0.00 0.00 177.43 176.62 1nf4 h MET 49 N 0.59 1.03 -0.29 0.81 4.05 -1.30 -0.97 114.93 118.85 1nf4 h MET 49 Ca 0.12 -0.21 -0.12 0.00 -0.28 0.00 0.00 59.70 59.21 1nf4 h MET 49 Cb 0.35 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1nf4 h MET 49 CO 0.01 0.89 -0.31 -0.22 0.23 0.00 0.00 176.91 177.51 1nf4 h LYS 50 N 0.97 0.62 -0.21 0.39 3.64 -1.00 -1.80 116.57 119.19 1nf4 h LYS 50 Ca 0.22 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1nf4 h LYS 50 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1nf4 h LYS 50 CO -0.01 0.85 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.67 1nf4 h LEU 51 N 0.53 0.41 -0.33 5.20 3.38 -0.69 -1.50 115.31 122.30 1nf4 h LEU 51 Ca 0.06 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1nf4 h LEU 51 Cb 0.79 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1nf4 h LEU 51 CO 0.07 0.68 -0.47 0.40 0.09 0.00 0.00 178.44 179.21 1nf4 h ILE 52 N 0.35 1.27 -0.86 1.22 2.04 -1.05 -2.44 117.51 118.05 1nf4 h ILE 52 Ca 0.05 -1.64 0.12 0.00 1.00 0.00 0.00 64.86 64.38 1nf4 h ILE 52 Cb 0.69 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1nf4 h ILE 52 CO 0.05 0.54 0.49 0.00 0.00 0.00 0.00 178.15 179.24 1nf4 h ALA 53 N 0.72 1.27 -0.30 1.87 0.00 -1.06 -0.94 119.26 120.82 1nf4 h ALA 53 Ca 0.04 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 53 Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1nf4 h ALA 53 CO 0.11 0.06 -0.12 0.82 0.00 0.00 0.00 179.25 180.13 1nf4 h ILE 54 N 0.78 1.23 -0.78 0.00 2.04 -1.10 0.61 117.51 120.29 1nf4 h ILE 54 Ca 0.44 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1nf4 h ILE 54 Cb 0.48 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1nf4 h ILE 54 CO -0.28 0.33 0.49 0.44 0.00 0.00 0.00 178.15 179.12 1nf4 h ASP 55 N 0.47 0.92 -0.38 1.72 3.32 -0.72 -0.32 116.42 121.42 1nf4 h ASP 55 Ca 0.09 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1nf4 h ASP 55 Cb 0.48 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1nf4 h ASP 55 CO 0.03 0.70 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.88 1nf4 h GLU 56 N 1.06 0.79 -0.45 3.56 4.39 -0.66 0.16 114.58 123.44 1nf4 h GLU 56 Ca 0.28 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1nf4 h GLU 56 Cb -0.07 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1nf4 h GLU 56 CO -0.06 0.82 0.26 0.52 -1.16 0.00 0.00 179.01 179.39 1nf4 h MET 57 N 0.73 0.50 -0.81 2.33 2.86 -0.26 0.25 114.93 120.53 1nf4 h MET 57 Ca 0.14 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1nf4 h MET 57 Cb 0.49 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1nf4 h MET 57 CO 0.03 0.33 0.41 -0.09 1.06 0.00 0.00 176.91 178.64 1nf4 h ARG 58 N 0.51 1.15 -0.61 1.72 2.43 -0.60 -1.52 114.38 117.46 1nf4 h ARG 58 Ca 0.18 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1nf4 h ARG 58 Cb 0.04 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1nf4 h ARG 58 CO -0.10 0.87 0.30 0.45 -1.51 0.00 0.00 179.97 179.98 1nf4 h HIS 59 N 1.14 0.89 -0.85 2.20 3.86 -0.16 -1.21 115.15 121.01 1nf4 h HIS 59 Ca 0.28 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.48 1nf4 h HIS 59 Cb 0.09 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.23 1nf4 h HIS 59 CO 0.01 0.67 0.54 0.00 0.86 0.00 0.00 177.93 180.02 1nf4 h ALA 60 N 1.13 1.12 -0.37 2.45 0.00 -0.55 0.08 119.26 123.12 1nf4 h ALA 60 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1nf4 h ALA 60 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 60 CO -0.03 0.37 -0.07 1.49 0.00 0.00 0.00 179.25 181.02 1nf4 h GLU 61 N 1.05 0.69 -0.65 0.00 4.81 -1.04 -0.44 114.58 119.00 1nf4 h GLU 61 Ca 0.34 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1nf4 h GLU 61 Cb 0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1nf4 h GLU 61 CO -0.12 0.84 0.32 -0.91 -0.73 0.00 0.00 179.01 178.40 1nf4 h ASN 62 N 0.50 0.86 -0.72 1.04 2.35 -0.81 0.02 115.58 118.82 1nf4 h ASN 62 Ca 0.10 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1nf4 h ASN 62 Cb 0.57 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1nf4 h ASN 62 CO 0.03 0.75 0.19 -0.26 -1.65 0.00 0.00 177.43 176.49 1nf4 h PHE 63 N 0.91 1.19 -0.42 1.19 0.05 -0.83 -2.43 116.94 116.59 1nf4 h PHE 63 Ca 0.22 -0.13 -0.08 0.00 3.82 0.00 0.00 57.97 61.80 1nf4 h PHE 63 Cb 0.12 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 37.71 1nf4 h PHE 63 CO 0.00 0.95 -0.07 0.00 -0.18 0.00 0.00 178.31 179.02 1nf4 h ALA 64 N 1.12 1.09 -0.35 2.45 0.00 -0.52 -2.02 119.26 121.03 1nf4 h ALA 64 Ca 0.23 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1nf4 h ALA 64 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nf4 h ALA 64 CO -0.00 0.57 -0.41 0.93 0.00 0.00 0.00 179.25 180.34 1nf4 h GLU 65 N 0.67 0.86 -0.44 0.00 5.08 -0.71 -2.25 114.58 117.78 1nf4 h GLU 65 Ca 0.12 -0.46 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1nf4 h GLU 65 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1nf4 h GLU 65 CO 0.03 1.10 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.85 1nf4 h ARG 66 N 0.70 0.88 -0.43 2.33 9.65 -1.35 -1.66 114.38 124.50 1nf4 h ARG 66 Ca 0.05 -0.35 0.01 0.00 -1.10 0.00 0.00 59.98 58.59 1nf4 h ARG 66 Cb 0.99 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.50 1nf4 h ARG 66 CO 0.10 1.00 0.26 0.82 2.80 0.00 0.00 179.97 184.94 1nf4 h ILE 67 N 0.77 1.07 -0.54 1.20 2.04 -1.25 -1.56 117.51 119.23 1nf4 h ILE 67 Ca 0.11 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1nf4 h ILE 67 Cb 0.74 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1nf4 h ILE 67 CO 0.06 0.10 0.34 0.11 0.00 0.00 0.00 178.15 178.75 1nf4 h LYS 68 N 0.53 0.65 -0.49 2.37 1.79 -1.26 -1.16 116.57 119.00 1nf4 h LYS 68 Ca 0.17 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.71 1nf4 h LYS 68 Cb -0.02 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 1nf4 h LYS 68 CO -0.06 0.43 0.34 0.93 -1.08 0.00 0.00 179.45 180.01 1nf4 h GLU 69 N 0.67 0.17 -0.19 3.15 5.08 -0.67 -0.55 114.58 122.25 1nf4 h GLU 69 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1nf4 h GLU 69 Cb -0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nf4 h GLU 69 CO -0.08 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1nf4 n LEU 70 N -4.44 2.21 0.00 1.33 4.77 -0.65 -4.93 117.00 115.29 1nf4 n LEU 70 Ca 0.08 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1nf4 n LEU 70 Cb 0.44 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1nf4 n LEU 70 CO 0.35 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1nf4 n GLY 71 N 1.25 0.70 1.97 -0.72 0.00 -0.21 -4.90 105.19 103.27 1nf4 n GLY 71 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 1.40 3.30 -0.02 0.00 -0.53 -4.98 105.19 101.76 1nf4 n GLY 72 Ca 0.00 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 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 -3.52 3.31 0.00 1.61 2.56 -1.26 -4.14 118.70 117.25 1nf4 s GLU 73 Ca 0.32 -0.69 -0.30 0.00 0.00 0.00 0.00 54.97 54.30 1nf4 s GLU 73 Cb -0.02 -2.79 -0.06 0.00 2.00 0.00 0.00 34.13 33.26 1nf4 s GLU 73 CO 0.21 -0.05 1.48 -2.14 -0.56 0.00 0.00 175.26 174.20 1nf4 s PRO 74 N 1.03 4.25 0.81 4.30 0.02 -1.26 -4.98 135.00 139.16 1nf4 s PRO 74 Ca -0.01 2.06 -0.14 0.00 0.02 0.00 0.00 61.00 62.93 1nf4 s PRO 74 Cb -0.15 -3.63 0.02 0.00 0.02 0.00 0.00 34.50 30.77 1nf4 s PRO 74 CO -0.02 -0.65 0.75 -2.37 -0.33 0.00 0.00 177.00 174.39 1nf4 n THR 75 N 4.80 1.49 -0.01 0.99 5.66 -1.26 -4.95 114.28 120.99 1nf4 n THR 75 Ca 0.14 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1nf4 n THR 75 Cb 0.43 -0.89 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 1nf4 n THR 75 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1nf4 n THR 76 N -3.00 0.83 -3.85 1.09 -2.24 -1.26 -4.96 114.28 100.89 1nf4 n THR 76 Ca 0.11 -0.91 -0.36 0.00 -2.27 0.00 0.00 64.05 60.61 1nf4 n THR 76 Cb 0.51 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.83 3.49 0.17 -0.78 -1.52 -1.26 -5.09 119.66 113.84 1nf4 s GLN 77 Ca 0.00 -0.11 -0.11 0.00 -1.95 0.00 0.00 55.36 53.19 1nf4 s GLN 77 Cb 0.00 -3.17 -0.07 0.00 -0.22 0.00 0.00 33.01 29.55 1nf4 s GLN 77 CO 0.00 0.75 0.51 -1.59 -0.25 0.00 0.00 175.29 174.70 1nf4 s LYS 78 N -1.23 3.83 -0.02 2.91 -2.85 -1.26 -4.37 119.74 116.75 1nf4 s LYS 78 Ca 0.19 0.29 -0.24 0.00 -1.00 0.00 0.00 55.97 55.21 1nf4 s LYS 78 Cb -0.13 -2.81 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 1nf4 s LYS 78 CO 0.08 0.42 0.73 -2.00 0.10 0.00 0.00 175.35 174.69 1nf4 s GLU 79 N -2.38 4.46 0.60 1.78 -6.30 0.13 -4.91 118.70 112.07 1nf4 s GLU 79 Ca 0.41 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 53.85 1nf4 s GLU 79 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.59 1nf4 s GLU 79 CO 0.20 0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1nf4 n GLY 80 N 2.77 -2.07 3.43 -1.50 0.00 -1.26 -4.62 105.19 101.94 1nf4 n GLY 80 Ca -0.02 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.61 1.68 -0.00 1.61 -0.14 -1.26 -5.02 119.74 116.00 1nf4 s LYS 81 Ca 0.00 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 53.10 1nf4 s LYS 81 Cb 0.00 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1nf4 s LYS 81 CO 0.00 0.48 1.07 0.08 -0.76 0.00 0.00 175.35 176.23 1nf4 s VAL 82 N -1.04 4.54 -0.13 3.17 1.01 -1.26 -5.02 120.40 121.67 1nf4 s VAL 82 Ca 0.15 1.82 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 1nf4 s VAL 82 Cb -0.10 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1nf4 s VAL 82 CO 0.07 0.11 0.55 -0.69 0.00 0.00 0.00 175.10 175.14 1nf4 s VAL 83 N 1.31 5.12 0.33 2.92 1.01 -1.26 -5.07 120.40 124.77 1nf4 s VAL 83 Ca 0.54 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.70 1nf4 s VAL 83 Cb -0.24 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1nf4 s VAL 83 CO 0.26 0.26 0.12 0.42 0.00 0.00 0.00 175.10 176.17 1nf4 s THR 84 N 0.96 3.03 -1.18 3.92 -4.23 -1.26 -4.69 115.64 112.19 1nf4 s THR 84 Ca 0.29 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1nf4 s THR 84 Cb -0.16 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1nf4 s THR 84 CO 0.12 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1nf4 n GLY 85 N -1.12 0.41 3.75 3.99 0.00 -1.26 -4.98 105.19 105.98 1nf4 n GLY 85 Ca -0.03 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.05 4.64 0.77 1.61 -0.21 -1.26 -5.02 119.66 116.15 1nf4 s GLN 86 Ca 0.00 1.76 -0.11 0.00 0.02 0.00 0.00 55.36 57.03 1nf4 s GLN 86 Cb 0.00 -3.22 0.06 0.00 1.00 0.00 0.00 33.01 30.84 1nf4 s GLN 86 CO 0.00 0.19 1.09 0.00 -2.12 0.00 0.00 175.29 174.45 1nf4 s ALA 87 N -0.87 2.25 0.16 6.09 0.00 -1.26 -4.72 121.76 123.40 1nf4 s ALA 87 Ca 0.46 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 1nf4 s ALA 87 Cb -0.31 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.61 1nf4 s ALA 87 CO 0.38 -1.77 1.69 0.28 0.00 0.00 0.00 175.76 176.35 1nf4 h VAL 88 N -1.11 0.70 -0.34 0.00 2.07 -2.00 -0.46 116.25 115.11 1nf4 h VAL 88 Ca -0.44 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1nf4 h VAL 88 Cb 1.23 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1nf4 h VAL 88 CO 0.51 0.01 0.23 -0.65 0.02 0.00 0.00 177.57 177.69 1nf4 h PRO 89 N 0.06 0.39 -0.02 1.57 0.11 -1.99 -2.17 132.00 129.95 1nf4 h PRO 89 Ca 0.17 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 1nf4 h PRO 89 Cb 0.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1nf4 h PRO 89 CO -0.32 0.26 -0.77 0.28 -0.21 0.00 0.00 178.00 177.24 1nf4 h VAL 90 N 0.41 1.47 0.25 3.15 2.07 -1.54 -1.63 116.25 120.43 1nf4 h VAL 90 Ca 0.13 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1nf4 h VAL 90 Cb 0.03 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1nf4 h VAL 90 CO -0.03 0.70 -0.23 0.40 0.02 0.00 0.00 177.57 178.43 1nf4 h ILE 91 N 0.11 0.50 0.03 4.57 2.04 -0.50 -0.17 117.51 124.08 1nf4 h ILE 91 Ca -0.03 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.62 1nf4 h ILE 91 Cb 1.35 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1nf4 h ILE 91 CO 0.11 0.00 -0.97 1.88 0.00 0.00 0.00 178.15 179.18 1nf4 h TYR 92 N -0.51 0.21 -0.41 1.37 -1.99 -1.44 -0.73 116.97 113.47 1nf4 h TYR 92 Ca -0.01 -0.13 -0.14 0.00 2.00 0.00 0.00 58.73 60.45 1nf4 h TYR 92 Cb 0.47 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1nf4 h TYR 92 CO -0.15 1.02 -0.30 1.49 -0.00 0.00 0.00 178.16 180.21 1nf4 h GLU 93 N 0.06 0.92 -0.16 4.88 4.81 -1.31 -2.64 114.58 121.14 1nf4 h GLU 93 Ca -0.05 -0.45 -0.17 0.00 -0.13 0.00 0.00 59.36 58.57 1nf4 h GLU 93 Cb 1.65 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 1nf4 h GLU 93 CO 0.14 1.10 -0.59 0.77 -0.73 0.00 0.00 179.01 179.71 1nf4 h SER 94 N 0.75 0.58 0.04 1.04 0.02 -0.97 -2.71 113.55 112.30 1nf4 h SER 94 Ca 0.08 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 1nf4 h SER 94 Cb 0.88 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1nf4 h SER 94 CO 0.08 1.04 -0.44 0.44 -1.14 0.00 0.00 176.83 176.80 1nf4 h ASP 95 N 0.39 0.52 -0.31 3.07 3.32 -1.12 -1.40 116.42 120.90 1nf4 h ASP 95 Ca -0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1nf4 h ASP 95 Cb 1.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1nf4 h ASP 95 CO 0.11 0.90 0.16 0.00 -1.72 0.00 0.00 179.24 178.69 1nf4 h ALA 96 N 1.12 0.39 -0.86 3.45 0.00 -1.47 -1.41 119.26 120.48 1nf4 h ALA 96 Ca 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 96 Cb 0.94 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1nf4 h ALA 96 CO 0.08 -0.07 0.51 -0.44 0.00 0.00 0.00 179.25 179.33 1nf4 h ASP 97 N 0.37 0.74 -0.19 0.00 3.32 -1.18 -0.38 116.42 119.10 1nf4 h ASP 97 Ca 0.11 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1nf4 h ASP 97 Cb 0.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1nf4 h ASP 97 CO -0.02 0.42 -0.08 -0.61 -1.72 0.00 0.00 179.24 177.23 1nf4 h GLN 98 N 0.85 0.40 -0.58 3.56 4.15 -1.05 -0.20 115.11 122.24 1nf4 h GLN 98 Ca 0.42 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1nf4 h GLN 98 Cb 0.37 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1nf4 h GLN 98 CO -0.25 0.68 0.34 0.93 -1.93 0.00 0.00 178.83 178.60 1nf4 h GLU 99 N 0.10 0.80 -0.24 1.69 4.39 -0.98 0.71 114.58 121.05 1nf4 h GLU 99 Ca 0.04 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1nf4 h GLU 99 Cb 0.56 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1nf4 h GLU 99 CO 0.03 0.59 0.05 0.22 -1.16 0.00 0.00 179.01 178.73 1nf4 h ASP 100 N 0.78 0.37 0.24 1.42 1.82 -0.99 -1.55 116.42 118.51 1nf4 h ASP 100 Ca 0.21 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 1nf4 h ASP 100 Cb 0.01 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1nf4 h ASP 100 CO -0.04 0.52 -0.21 0.00 -1.61 0.00 0.00 179.24 177.90 1nf4 h ALA 101 N 0.86 1.59 -0.37 -0.78 0.00 -0.79 -2.21 119.26 117.56 1nf4 h ALA 101 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1nf4 h ALA 101 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nf4 h ALA 101 CO 0.00 0.26 -0.17 1.15 0.00 0.00 0.00 179.25 180.50 1nf4 h THR 102 N 0.00 1.28 -0.56 0.00 2.02 -0.53 -1.72 112.91 113.40 1nf4 h THR 102 Ca -0.00 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 1nf4 h THR 102 Cb 0.39 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1nf4 h THR 102 CO 0.03 0.42 0.05 0.40 0.37 0.00 0.00 175.52 176.79 1nf4 h ILE 103 N 0.55 1.25 -0.24 3.11 2.04 -1.02 0.79 117.51 123.98 1nf4 h ILE 103 Ca 0.08 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1nf4 h ILE 103 Cb 0.71 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1nf4 h ILE 103 CO 0.05 0.37 0.13 -0.33 0.00 0.00 0.00 178.15 178.37 1nf4 h GLU 104 N 0.87 0.34 -0.13 2.37 4.39 -1.33 -0.82 114.58 120.28 1nf4 h GLU 104 Ca 0.17 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1nf4 h GLU 104 Cb 0.44 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1nf4 h GLU 104 CO 0.02 0.33 -0.03 0.00 -1.16 0.00 0.00 179.01 178.17 1nf4 h ALA 105 N 1.00 0.17 0.00 3.43 0.00 -1.03 -2.56 119.26 120.27 1nf4 h ALA 105 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1nf4 h ALA 105 Cb 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nf4 h ALA 105 CO -0.01 -0.09 -0.14 1.88 0.00 0.00 0.00 179.25 180.89 1nf4 h TYR 106 N -0.07 0.00 -0.14 0.00 -1.99 -0.86 0.37 116.97 114.29 1nf4 h TYR 106 Ca 0.03 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1nf4 h TYR 106 Cb 0.44 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1nf4 h TYR 106 CO 0.05 0.14 -0.30 0.77 -0.00 0.00 0.00 178.16 178.82 1nf4 h SER 107 N 0.00 0.27 -0.28 3.88 0.02 -0.91 0.27 113.55 116.80 1nf4 h SER 107 Ca -0.00 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.71 1nf4 h SER 107 Cb 0.27 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1nf4 h SER 107 CO 0.02 0.57 -0.38 1.56 -1.14 0.00 0.00 176.83 177.46 1nf4 h GLN 108 N 0.24 0.75 -0.73 3.45 4.20 -0.61 -2.89 115.11 119.52 1nf4 h GLN 108 Ca 0.03 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 1nf4 h GLN 108 Cb 0.65 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1nf4 h GLN 108 CO 0.05 1.06 0.33 0.74 -0.67 0.00 0.00 178.83 180.34 1nf4 h PHE 109 N 0.50 1.06 -0.67 2.96 0.05 -0.65 -2.26 116.94 117.94 1nf4 h PHE 109 Ca 0.03 -0.06 0.11 0.00 3.82 0.00 0.00 57.97 61.87 1nf4 h PHE 109 Cb 0.97 -0.33 -0.08 0.00 2.00 0.00 0.00 35.95 38.52 1nf4 h PHE 109 CO 0.08 0.79 0.26 1.25 -0.18 0.00 0.00 178.31 180.51 1nf4 h LEU 110 N 1.02 0.26 -0.79 1.54 6.46 -0.96 -1.64 115.31 121.20 1nf4 h LEU 110 Ca 0.25 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1nf4 h LEU 110 Cb 0.14 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1nf4 h LEU 110 CO -0.03 0.14 0.52 0.50 -0.62 0.00 0.00 178.44 178.96 1nf4 h LYS 111 N 0.44 1.03 -0.59 1.25 3.64 -1.20 -1.70 116.57 119.44 1nf4 h LYS 111 Ca 0.34 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1nf4 h LYS 111 Cb 0.45 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1nf4 h LYS 111 CO -0.33 0.68 0.36 0.28 -2.27 0.00 0.00 179.45 178.17 1nf4 h VAL 112 N 1.06 1.07 -0.77 2.00 2.07 -0.88 -0.53 116.25 120.27 1nf4 h VAL 112 Ca 0.30 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1nf4 h VAL 112 Cb -0.10 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1nf4 h VAL 112 CO -0.07 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.13 1nf4 h LYS 114 N 0.92 0.77 -0.34 0.00 1.57 -0.85 0.63 116.57 119.27 1nf4 h LYS 114 Ca 0.32 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1nf4 h LYS 114 Cb 0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1nf4 h LYS 114 CO -0.13 0.78 0.08 0.93 -0.57 0.00 0.00 179.45 180.54 1nf4 h GLU 115 N 0.64 0.49 -0.40 3.15 5.08 -0.75 -0.81 114.58 121.98 1nf4 h GLU 115 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nf4 h GLU 115 Cb 0.38 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1nf4 h GLU 115 CO 0.01 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.52 1nf4 n GLN 116 N -4.35 1.90 -3.83 2.33 1.13 -0.32 -4.92 117.38 109.33 1nf4 n GLN 116 Ca 0.02 -1.22 -0.25 0.00 -1.94 0.00 0.00 57.00 53.60 1nf4 n GLN 116 Cb 0.18 -1.34 0.02 0.00 0.11 0.00 0.00 30.24 29.21 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 0.92 -0.35 3.08 1.08 0.00 -0.31 -4.92 105.19 104.69 1nf4 n GLY 117 Ca 0.11 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.99 5.18 0.12 1.61 -1.08 0.21 -4.93 116.67 113.79 1nf4 s ASP 118 Ca 0.24 -2.98 -0.14 0.00 -0.52 0.00 0.00 52.55 49.15 1nf4 s ASP 118 Cb -0.12 -1.83 -0.04 0.00 -1.46 0.00 0.00 42.92 39.47 1nf4 s ASP 118 CO 0.83 -0.33 1.51 0.40 0.52 0.00 0.00 175.17 178.10 1nf4 h ILE 119 N 5.16 1.28 -0.66 4.11 1.08 -1.92 -2.00 117.51 124.56 1nf4 h ILE 119 Ca -0.00 -1.26 -0.02 0.00 -0.39 0.00 0.00 64.86 63.19 1nf4 h ILE 119 Cb 0.93 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1nf4 h ILE 119 CO 0.72 0.42 0.34 0.58 -0.69 0.00 0.00 178.15 179.52 1nf4 h VAL 120 N 0.57 1.21 -0.14 1.67 2.07 -1.97 -2.12 116.25 117.54 1nf4 h VAL 120 Ca 0.09 -0.56 -0.19 0.00 0.82 0.00 0.00 66.70 66.85 1nf4 h VAL 120 Cb 0.69 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1nf4 h VAL 120 CO 0.05 0.24 -0.69 0.74 0.02 0.00 0.00 177.57 177.93 1nf4 h THR 121 N 0.90 1.33 -0.89 2.57 2.02 -1.94 -2.64 112.91 114.26 1nf4 h THR 121 Ca 0.23 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 1nf4 h THR 121 Cb 0.07 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 1nf4 h THR 121 CO -0.03 0.61 0.53 0.00 0.37 0.00 0.00 175.52 177.00 1nf4 h ALA 122 N 0.82 1.25 -0.78 6.16 0.00 -1.24 -1.30 119.26 124.17 1nf4 h ALA 122 Ca -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1nf4 h ALA 122 Cb 1.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1nf4 h ALA 122 CO 0.13 0.64 0.34 -0.09 0.00 0.00 0.00 179.25 180.26 1nf4 h ARG 123 N 1.24 1.14 -0.27 0.00 9.65 -1.34 -0.71 114.38 124.09 1nf4 h ARG 123 Ca 0.32 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1nf4 h ARG 123 Cb -0.04 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.34 1nf4 h ARG 123 CO -0.06 0.91 0.17 1.25 2.80 0.00 0.00 179.97 185.05 1nf4 h LEU 124 N 1.11 0.31 -0.91 3.80 5.85 -1.07 -0.51 115.31 123.88 1nf4 h LEU 124 Ca 0.26 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1nf4 h LEU 124 Cb 0.18 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1nf4 h LEU 124 CO -0.03 0.23 0.55 -0.26 -0.34 0.00 0.00 178.44 178.59 1nf4 h PHE 125 N 0.36 1.20 -0.61 1.25 -1.00 -0.96 -1.81 116.94 115.36 1nf4 h PHE 125 Ca 0.10 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1nf4 h PHE 125 Cb -0.03 -0.40 -0.03 0.00 3.61 0.00 0.00 35.95 39.10 1nf4 h PHE 125 CO -0.06 0.80 0.34 1.49 -1.61 0.00 0.00 178.31 179.27 1nf4 h GLU 126 N 1.26 0.86 -0.55 1.51 4.81 -0.72 0.14 114.58 121.89 1nf4 h GLU 126 Ca 0.33 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1nf4 h GLU 126 Cb -0.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1nf4 h GLU 126 CO -0.06 0.65 0.03 0.00 -0.73 0.00 0.00 179.01 178.90 1nf4 h ARG 127 N 0.84 0.94 -0.16 1.92 3.08 -0.78 -2.62 114.38 117.60 1nf4 h ARG 127 Ca 0.22 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 1nf4 h ARG 127 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1nf4 h ARG 127 CO -0.03 0.94 -0.57 0.82 -1.07 0.00 0.00 179.97 180.06 1nf4 h ILE 128 N 0.83 1.33 -0.42 2.04 2.04 -1.07 -2.86 117.51 119.40 1nf4 h ILE 128 Ca 0.16 -1.84 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 1nf4 h ILE 128 Cb 0.49 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1nf4 h ILE 128 CO 0.02 0.57 0.26 0.40 0.00 0.00 0.00 178.15 179.40 1nf4 h ILE 129 N 0.38 1.12 -0.30 -0.67 2.04 -0.55 -0.10 117.51 119.44 1nf4 h ILE 129 Ca 0.00 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1nf4 h ILE 129 Cb 1.11 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1nf4 h ILE 129 CO 0.10 0.12 -0.16 -0.33 0.00 0.00 0.00 178.15 177.88 1nf4 h GLU 130 N 0.58 0.53 -0.14 2.37 5.08 -1.24 -1.54 114.58 120.21 1nf4 h GLU 130 Ca 0.15 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1nf4 h GLU 130 Cb -0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1nf4 h GLU 130 CO -0.03 0.67 -0.59 0.93 -1.00 0.00 0.00 179.01 178.99 1nf4 h GLU 131 N 0.48 0.45 -0.53 2.33 5.08 -0.97 -2.53 114.58 118.89 1nf4 h GLU 131 Ca 0.08 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1nf4 h GLU 131 Cb 0.56 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1nf4 h GLU 131 CO 0.04 0.91 0.08 0.93 -1.00 0.00 0.00 179.01 179.97 1nf4 h GLU 132 N 0.34 0.84 -0.99 2.33 4.39 -0.90 -1.93 114.58 118.66 1nf4 h GLU 132 Ca -0.00 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1nf4 h GLU 132 Cb 1.13 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 1nf4 h GLU 132 CO 0.10 0.79 0.65 0.37 -1.16 0.00 0.00 179.01 179.77 1nf4 h GLN 133 N 0.80 1.29 -0.67 2.33 5.75 -0.99 0.16 115.11 123.77 1nf4 h GLN 133 Ca 0.17 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1nf4 h GLN 133 Cb 0.37 -0.29 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1nf4 h GLN 133 CO 0.01 0.85 0.19 0.00 -2.65 0.00 0.00 178.83 177.23 1nf4 h ALA 134 N 1.39 1.07 -0.47 3.38 0.00 -1.01 -0.80 119.26 122.83 1nf4 h ALA 134 Ca 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 134 Cb -0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1nf4 h ALA 134 CO -0.08 0.63 0.18 0.45 0.00 0.00 0.00 179.25 180.42 1nf4 h HIS 135 N 1.00 0.71 0.00 0.00 3.86 -0.61 -2.24 115.15 117.88 1nf4 h HIS 135 Ca 0.22 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1nf4 h HIS 135 Cb 0.31 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 1nf4 h HIS 135 CO 0.02 0.61 -0.26 1.25 0.86 0.00 0.00 177.93 180.42 1nf4 h LEU 136 N 0.61 -0.75 -1.20 2.43 5.85 -0.42 -1.27 115.31 120.56 1nf4 h LEU 136 Ca 0.15 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1nf4 h LEU 136 Cb 0.21 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1nf4 h LEU 136 CO -0.01 -0.32 0.56 0.74 -0.34 0.00 0.00 178.44 179.06 1nf4 h THR 137 N -0.40 1.11 -0.22 1.05 2.02 -1.10 -1.24 112.91 114.14 1nf4 h THR 137 Ca 0.06 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1nf4 h THR 137 Cb 0.48 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1nf4 h THR 137 CO -0.22 0.19 0.04 0.22 0.37 0.00 0.00 175.52 176.11 1nf4 h TYR 138 N 1.02 0.39 -0.45 3.16 3.20 -0.82 -1.15 116.97 122.32 1nf4 h TYR 138 Ca 0.35 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 1nf4 h TYR 138 Cb 0.08 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1nf4 h TYR 138 CO -0.00 0.50 -0.22 1.88 -1.64 0.00 0.00 178.16 178.68 1nf4 h TYR 139 N 0.17 1.04 -0.49 -3.82 0.99 -0.96 -1.71 116.97 112.19 1nf4 h TYR 139 Ca 0.07 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 1nf4 h TYR 139 Cb 0.32 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 37.78 1nf4 h TYR 139 CO 0.02 1.03 0.30 0.93 -0.00 0.00 0.00 178.16 180.44 1nf4 h GLU 140 N 0.79 0.66 -0.32 4.88 5.08 -1.19 -1.43 114.58 123.05 1nf4 h GLU 140 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1nf4 h GLU 140 Cb 0.77 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1nf4 h GLU 140 CO 0.06 0.48 0.19 -0.91 -1.00 0.00 0.00 179.01 177.84 1nf4 h ASN 141 N 0.65 0.39 -0.79 1.42 2.35 -0.81 0.96 115.58 119.75 1nf4 h ASN 141 Ca 0.18 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1nf4 h ASN 141 Cb -0.01 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1nf4 h ASN 141 CO -0.03 0.33 0.35 0.40 -1.65 0.00 0.00 177.43 176.82 1nf4 h ILE 142 N 0.41 1.25 -0.82 2.81 1.08 -1.21 -1.70 117.51 119.34 1nf4 h ILE 142 Ca 0.12 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 1nf4 h ILE 142 Cb 0.01 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.01 1nf4 h ILE 142 CO -0.02 0.31 0.40 1.23 -0.69 0.00 0.00 178.15 179.38 1nf4 h GLY 143 N 1.12 1.25 1.01 5.37 0.00 -0.88 -0.70 103.07 110.25 1nf4 h GLY 143 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1nf4 h GLY 143 CO -0.03 0.58 0.51 0.23 0.00 0.00 0.00 176.54 177.84 1nf4 h SER 144 N 1.16 0.97 -0.39 0.19 0.87 -0.15 -0.08 113.55 116.13 1nf4 h SER 144 Ca 0.28 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 1nf4 h SER 144 Cb 0.10 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1nf4 h SER 144 CO -0.04 0.73 -0.38 0.45 -0.53 0.00 0.00 176.83 177.06 1nf4 h HIS 145 N 1.12 1.13 -0.51 2.24 -0.00 -0.67 0.05 115.15 118.51 1nf4 h HIS 145 Ca 0.30 -0.33 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1nf4 h HIS 145 Cb -0.08 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.07 1nf4 h HIS 145 CO -0.01 1.17 0.26 0.82 -0.00 0.00 0.00 177.93 180.17 1nf4 h ILE 146 N 0.77 1.18 -0.36 2.45 2.04 -0.87 0.52 117.51 123.25 1nf4 h ILE 146 Ca 0.06 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1nf4 h ILE 146 Cb 0.97 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1nf4 h ILE 146 CO 0.09 0.20 0.23 0.11 0.00 0.00 0.00 178.15 178.78 1nf4 h LYS 147 N 0.68 0.48 0.00 2.37 1.57 -0.89 -1.66 116.57 119.11 1nf4 h LYS 147 Ca 0.18 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1nf4 h LYS 147 Cb 0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1nf4 h LYS 147 CO -0.03 0.33 -1.19 0.09 -0.57 0.00 0.00 179.45 178.09 1nf4 n ASN 148 N -4.82 0.72 0.00 0.86 4.13 -0.01 -4.51 115.26 111.62 1nf4 n ASN 148 Ca -0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1nf4 n ASN 148 Cb 0.04 0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.94 1nf4 n ASN 148 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nf4 n LEU 149 N -2.63 0.00 0.00 3.41 4.77 0.18 -5.07 117.00 117.66 1nf4 n LEU 149 Ca -0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1nf4 n LEU 149 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1nf4 n LEU 149 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1nf4 n GLY 150 N 1.78 2.96 0.27 -0.72 0.00 -0.62 -2.73 105.19 106.12 1nf4 n GLY 150 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 4.53 0.00 -0.48 1.61 5.19 -1.93 -1.39 116.42 123.94 1nf4 h ASP 151 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1nf4 h ASP 151 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1nf4 h ASP 151 CO 0.00 0.08 0.28 0.74 -3.12 0.00 0.00 179.24 177.22 1nf4 h THR 152 N 0.00 1.15 -0.07 0.35 2.02 -1.93 0.39 112.91 114.83 1nf4 h THR 152 Ca -0.00 -0.38 -0.15 0.00 0.77 0.00 0.00 66.41 66.65 1nf4 h THR 152 Cb 0.18 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1nf4 h THR 152 CO 0.01 0.17 -0.53 0.22 0.37 0.00 0.00 175.52 175.76 1nf4 h TYR 153 N 0.70 0.66 -0.23 3.16 3.20 -1.35 -3.29 116.97 119.81 1nf4 h TYR 153 Ca 0.18 -0.31 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 1nf4 h TYR 153 Cb 0.01 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1nf4 h TYR 153 CO 0.00 1.10 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.43 1nf4 h LEU 154 N 0.03 0.37 -2.07 2.82 3.38 -1.12 -2.32 115.31 116.41 1nf4 h LEU 154 Ca -0.05 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1nf4 h LEU 154 Cb 1.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1nf4 h LEU 154 CO 0.11 0.53 0.12 0.00 0.09 0.00 0.00 178.44 179.30 1nf4 h ALA 155 N 1.51 2.07 0.01 1.53 0.00 -0.31 0.72 119.26 124.79 1nf4 h ALA 155 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 155 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1nf4 h ALA 155 CO 0.03 -0.21 -0.92 -0.22 0.00 0.00 0.00 179.25 177.93 1nf4 h LYS 156 N 0.00 0.03 0.00 0.00 3.64 -1.51 -3.26 116.57 115.48 1nf4 h LYS 156 Ca 0.08 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 1nf4 h LYS 156 Cb 0.33 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1nf4 h LYS 156 CO -0.00 0.92 -0.83 0.82 -2.27 0.00 0.00 179.45 178.09 1nf4 h ILE 157 N 0.01 1.16 -1.87 2.00 1.08 -0.93 -3.45 117.51 115.52 1nf4 h ILE 157 Ca -0.02 -2.69 -0.66 0.00 -0.39 0.00 0.00 64.86 61.11 1nf4 h ILE 157 Cb 1.61 2.56 0.03 0.00 -3.07 0.00 0.00 36.82 37.94 1nf4 h ILE 157 CO 0.12 0.66 0.87 0.00 -0.69 0.00 0.00 178.15 179.12 1nf4 n ALA 158 N -2.30 0.32 -0.99 1.87 0.00 0.05 -1.73 120.51 117.72 1nf4 n ALA 158 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1nf4 n ALA 158 Cb 0.84 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 3.83 0.62 3.73 0.00 0.00 -0.28 -4.97 105.19 108.12 1nf4 n GLY 159 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.51 2.75 0.49 2.61 -4.23 -0.71 -4.91 115.64 109.13 1nf4 s THR 160 Ca 0.00 0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 60.52 1nf4 s THR 160 Cb 0.00 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 71.01 1nf4 s THR 160 CO 0.00 -0.32 1.40 -2.84 -0.54 0.00 0.00 174.62 172.33 1nf4 s PRO 161 N -4.96 3.44 0.00 3.99 0.02 -1.26 -3.79 135.00 132.45 1nf4 s PRO 161 Ca 0.63 2.35 0.09 0.00 0.02 0.00 0.00 61.00 64.10 1nf4 s PRO 161 Cb -0.17 -2.49 -0.00 0.00 0.02 0.00 0.00 34.50 31.86 1nf4 s PRO 161 CO 0.57 -0.99 0.61 -1.13 -0.33 0.00 0.00 177.00 175.73 1nf4 n SER 162 N -0.56 1.18 -4.66 2.53 3.41 -1.26 -2.74 113.62 111.53 1nf4 n SER 162 Ca 0.07 -1.09 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 1nf4 n SER 162 Cb 0.43 0.46 0.01 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.25 1.91 -0.51 4.04 2.88 -1.26 -4.11 113.62 116.33 1nf4 n SER 163 Ca 0.04 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.71 1nf4 n SER 163 Cb 0.20 -1.42 0.11 0.00 -0.75 0.00 0.00 64.21 62.34 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 -0.32 0.70 0.00 2.46 -2.24 -1.26 -4.87 114.28 108.75 1nf4 n THR 164 Ca 0.08 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1nf4 n THR 164 Cb 0.39 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.44 0.42 3.74 3.38 0.00 -1.26 -5.05 105.19 106.86 1nf4 n GLY 165 Ca 0.09 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1nf4 n GLY 165 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1nf4 n THR 166 N 1.88 4.18 -1.37 2.61 5.66 -1.26 -4.92 114.28 121.06 1nf4 n THR 166 Ca 0.00 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.14 1nf4 n THR 166 Cb 0.00 -1.62 0.08 0.00 -1.55 0.00 0.00 70.33 67.25 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nf4 n ALA 167 N -1.30 -0.26 -1.34 1.79 0.00 -1.26 -4.83 120.51 113.31 1nf4 n ALA 167 Ca 0.12 -0.18 -0.60 0.00 0.00 0.00 0.00 53.44 52.78 1nf4 n ALA 167 Cb 0.46 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.58 0.84 -4.58 0.00 3.41 -1.26 -4.87 113.62 105.58 1nf4 n SER 168 Ca 0.13 0.78 -0.44 0.00 -0.26 0.00 0.00 58.87 59.08 1nf4 n SER 168 Cb 0.49 -0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 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 6.46 1.92 -2.25 4.33 5.02 -1.26 -4.88 118.16 127.50 1nf4 n LYS 169 Ca 0.48 0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 57.30 1nf4 n LYS 169 Cb -0.04 -3.06 -0.01 0.00 -0.02 0.00 0.00 35.03 31.90 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 5.71 4.03 0.11 0.72 0.00 -1.26 -5.11 105.19 109.39 1nf4 n GLY 170 Ca 0.30 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 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 1.07 0.39 0.00 1.61 3.57 -2.05 -3.56 116.94 117.97 1nf4 h PHE 171 Ca -0.03 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1nf4 h PHE 171 Cb 0.13 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1nf4 h PHE 171 CO 0.00 1.43 0.00 1.33 -2.23 0.00 0.00 178.31 178.84