#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 h ARG 5 N 0.00 -0.47 -0.37 1.20 2.47 -2.01 0.30 114.38 115.50 1nf4 h ARG 5 Ca 0.00 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 1nf4 h ARG 5 Cb 0.00 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1nf4 h ARG 5 CO 0.00 -0.32 -0.02 0.93 0.56 0.00 0.00 179.97 181.13 1nf4 h GLU 6 N -0.49 0.59 -0.38 0.04 4.39 -2.02 -1.37 114.58 115.35 1nf4 h GLU 6 Ca 0.06 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1nf4 h GLU 6 Cb 0.59 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1nf4 h GLU 6 CO -0.30 0.63 -0.09 0.22 -1.16 0.00 0.00 179.01 178.32 1nf4 h ASP 7 N 0.56 0.73 -0.14 1.42 3.58 -1.89 -0.47 116.42 120.22 1nf4 h ASP 7 Ca 0.12 -0.36 0.05 0.00 0.42 0.00 0.00 57.03 57.25 1nf4 h ASP 7 Cb 0.38 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 1nf4 h ASP 7 CO 0.01 0.92 -0.17 0.03 -2.88 0.00 0.00 179.24 177.15 1nf4 h ARG 8 N 0.53 -0.20 -0.71 0.28 3.08 -0.53 -1.69 114.38 115.14 1nf4 h ARG 8 Ca 0.10 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1nf4 h ARG 8 Cb 0.60 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1nf4 h ARG 8 CO 0.04 -0.13 0.43 0.87 -1.07 0.00 0.00 179.97 180.10 1nf4 h LYS 9 N -0.21 0.97 -0.70 0.04 1.57 -1.10 -2.59 116.57 114.55 1nf4 h LYS 9 Ca 0.10 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1nf4 h LYS 9 Cb 0.36 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1nf4 h LYS 9 CO -0.27 0.69 0.27 0.00 -0.57 0.00 0.00 179.45 179.57 1nf4 h ALA 10 N 1.23 1.16 -0.06 3.86 0.00 -0.66 0.84 119.26 125.63 1nf4 h ALA 10 Ca 0.26 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1nf4 h ALA 10 Cb -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1nf4 h ALA 10 CO -0.05 0.60 -0.76 0.87 0.00 0.00 0.00 179.25 179.91 1nf4 h LYS 11 N 1.01 0.38 -0.27 0.00 1.57 -1.14 -1.83 116.57 116.29 1nf4 h LYS 11 Ca 0.23 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1nf4 h LYS 11 Cb 0.20 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1nf4 h LYS 11 CO -0.02 0.98 -0.22 0.28 -0.57 0.00 0.00 179.45 179.90 1nf4 h VAL 12 N 0.25 1.31 -0.35 0.50 2.07 -1.21 -2.84 116.25 115.98 1nf4 h VAL 12 Ca -0.04 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1nf4 h VAL 12 Cb 1.34 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1nf4 h VAL 12 CO 0.13 0.43 0.18 0.40 0.02 0.00 0.00 177.57 178.72 1nf4 h ILE 13 N 0.35 1.12 -0.11 4.57 2.04 -0.78 -1.04 117.51 123.66 1nf4 h ILE 13 Ca 0.05 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1nf4 h ILE 13 Cb 0.76 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1nf4 h ILE 13 CO 0.06 0.13 0.05 -0.08 0.00 0.00 0.00 178.15 178.31 1nf4 h GLU 14 N 0.48 0.17 0.00 2.37 4.81 -1.17 -0.72 114.58 120.52 1nf4 h GLU 14 Ca 0.12 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1nf4 h GLU 14 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1nf4 h GLU 14 CO -0.02 0.26 -0.35 -0.39 -0.73 0.00 0.00 179.01 177.78 1nf4 h VAL 15 N 0.04 0.84 -0.28 0.32 -1.51 -1.18 -1.26 116.25 113.21 1nf4 h VAL 15 Ca 0.04 -1.44 -0.12 0.00 -1.23 0.00 0.00 66.70 63.95 1nf4 h VAL 15 Cb 0.15 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1nf4 h VAL 15 CO -0.00 0.34 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.27 1nf4 h LEU 16 N 0.00 0.63 -0.31 4.19 3.38 -0.94 -0.53 115.31 121.73 1nf4 h LEU 16 Ca -0.00 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 1nf4 h LEU 16 Cb 0.86 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1nf4 h LEU 16 CO 0.05 0.92 -0.85 0.78 0.09 0.00 0.00 178.44 179.42 1nf4 h ASN 17 N 0.52 0.09 -0.55 -0.43 2.35 -0.76 -0.78 115.58 116.01 1nf4 h ASN 17 Ca 0.06 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1nf4 h ASN 17 Cb 0.82 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1nf4 h ASN 17 CO 0.07 0.89 0.24 0.11 -1.65 0.00 0.00 177.43 177.10 1nf4 h LYS 18 N 0.03 0.81 -0.29 0.81 1.57 -1.01 -0.97 116.57 117.52 1nf4 h LYS 18 Ca -0.02 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1nf4 h LYS 18 Cb 1.49 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1nf4 h LYS 18 CO 0.12 0.68 0.07 0.00 -0.57 0.00 0.00 179.45 179.75 1nf4 h ALA 19 N 1.08 0.39 -0.56 3.86 0.00 -1.02 -2.42 119.26 120.58 1nf4 h ALA 19 Ca 0.19 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 19 Cb 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1nf4 h ALA 19 CO -0.02 0.05 0.32 -0.09 0.00 0.00 0.00 179.25 179.51 1nf4 h ARG 20 N 0.31 0.60 -0.37 0.00 2.43 -1.05 0.44 114.38 116.74 1nf4 h ARG 20 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1nf4 h ARG 20 Cb 0.30 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1nf4 h ARG 20 CO 0.00 0.40 0.24 0.00 -1.51 0.00 0.00 179.97 179.10 1nf4 h ALA 21 N 1.28 1.72 -0.50 2.80 0.00 -1.08 0.41 119.26 123.88 1nf4 h ALA 21 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1nf4 h ALA 21 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nf4 h ALA 21 CO -0.13 0.26 -0.12 0.52 0.00 0.00 0.00 179.25 179.77 1nf4 h MET 22 N 0.50 0.97 -0.35 0.00 2.86 -0.75 0.19 114.93 118.35 1nf4 h MET 22 Ca 0.14 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1nf4 h MET 22 Cb -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1nf4 h MET 22 CO -0.03 1.05 0.13 0.93 1.06 0.00 0.00 176.91 180.05 1nf4 h GLU 23 N 0.83 0.53 -0.82 1.72 4.39 0.32 -2.00 114.58 119.56 1nf4 h GLU 23 Ca 0.13 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1nf4 h GLU 23 Cb 0.69 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1nf4 h GLU 23 CO 0.05 0.53 0.49 -0.07 -1.16 0.00 0.00 179.01 178.85 1nf4 h LEU 24 N 0.42 0.98 -0.41 1.33 3.38 -0.93 0.37 115.31 120.44 1nf4 h LEU 24 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nf4 h LEU 24 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1nf4 h LEU 24 CO -0.01 0.76 0.27 -0.74 0.09 0.00 0.00 178.44 178.81 1nf4 h HIS 25 N 1.13 0.53 -0.71 1.13 2.76 -1.16 -2.93 115.15 115.90 1nf4 h HIS 25 Ca 0.29 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.42 1nf4 h HIS 25 Cb -0.04 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 1nf4 h HIS 25 CO 0.00 0.34 0.22 0.00 -1.30 0.00 0.00 177.93 177.20 1nf4 h ALA 26 N 1.15 0.93 -0.30 5.26 0.00 -0.54 -0.19 119.26 125.57 1nf4 h ALA 26 Ca 0.15 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 26 Cb -0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1nf4 h ALA 26 CO -0.03 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.66 1nf4 h ILE 27 N 1.04 0.79 -0.12 0.00 2.04 -0.89 0.34 117.51 120.72 1nf4 h ILE 27 Ca 0.23 -0.04 -0.19 0.00 1.00 0.00 0.00 64.86 65.86 1nf4 h ILE 27 Cb 0.30 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1nf4 h ILE 27 CO -0.01 0.02 -0.71 0.45 0.00 0.00 0.00 178.15 177.91 1nf4 h HIS 28 N 0.10 0.73 -0.06 1.37 3.86 -1.30 -0.07 115.15 119.78 1nf4 h HIS 28 Ca 0.14 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1nf4 h HIS 28 Cb 0.19 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1nf4 h HIS 28 CO -0.21 1.08 0.02 0.37 0.86 0.00 0.00 177.93 180.06 1nf4 h GLN 29 N 0.39 0.08 -0.59 2.45 5.75 -0.84 -0.04 115.11 122.31 1nf4 h GLN 29 Ca -0.03 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1nf4 h GLN 29 Cb 1.29 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 1nf4 h GLN 29 CO 0.13 0.20 -0.05 1.88 -2.65 0.00 0.00 178.83 178.34 1nf4 h TYR 30 N -0.05 1.18 -0.19 3.99 0.99 -0.94 -2.32 116.97 119.62 1nf4 h TYR 30 Ca 0.02 -0.22 -0.13 0.00 2.00 0.00 0.00 58.73 60.39 1nf4 h TYR 30 Cb 0.15 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.57 1nf4 h TYR 30 CO -0.02 1.06 -0.43 0.52 -0.00 0.00 0.00 178.16 179.28 1nf4 h MET 31 N 0.96 0.47 -0.66 4.88 2.86 -0.95 0.16 114.93 122.65 1nf4 h MET 31 Ca 0.16 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1nf4 h MET 31 Cb 0.62 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 1nf4 h MET 31 CO 0.04 0.82 0.39 -0.97 1.06 0.00 0.00 176.91 178.25 1nf4 h ASN 32 N 0.38 0.62 -0.51 1.22 -1.24 -0.71 0.50 115.58 115.83 1nf4 h ASN 32 Ca 0.03 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 1nf4 h ASN 32 Cb 0.92 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 1nf4 h ASN 32 CO 0.08 0.41 -0.12 1.56 -1.29 0.00 0.00 177.43 178.07 1nf4 h GLN 33 N 0.75 1.00 -0.50 6.67 4.20 -1.14 -2.26 115.11 123.84 1nf4 h GLN 33 Ca 0.28 -0.37 0.07 0.00 0.06 0.00 0.00 58.65 58.69 1nf4 h GLN 33 Cb 0.10 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 1nf4 h GLN 33 CO -0.14 1.05 0.16 1.25 -0.67 0.00 0.00 178.83 180.48 1nf4 h HIS 34 N 0.89 0.29 -0.87 2.96 2.76 -0.04 0.17 115.15 121.30 1nf4 h HIS 34 Ca 0.14 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1nf4 h HIS 34 Cb 0.68 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.55 1nf4 h HIS 34 CO 0.04 0.08 0.49 1.88 -1.30 0.00 0.00 177.93 179.13 1nf4 h TYR 35 N 0.33 1.18 -0.29 5.26 0.99 -0.62 0.65 116.97 124.47 1nf4 h TYR 35 Ca 0.24 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.87 1nf4 h TYR 35 Cb 0.27 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.62 1nf4 h TYR 35 CO -0.17 0.80 -0.14 0.77 -0.00 0.00 0.00 178.16 179.42 1nf4 h SER 36 N 1.21 0.63 -0.70 3.88 0.02 -0.86 -1.42 113.55 116.30 1nf4 h SER 36 Ca 0.31 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1nf4 h SER 36 Cb 0.00 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1nf4 h SER 36 CO -0.05 0.90 0.29 -0.07 -1.14 0.00 0.00 176.83 176.75 1nf4 h LEU 37 N 0.36 0.97 -0.71 5.07 3.38 -0.46 -0.81 115.31 123.10 1nf4 h LEU 37 Ca 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1nf4 h LEU 37 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1nf4 h LEU 37 CO 0.04 0.86 0.33 -0.78 0.09 0.00 0.00 178.44 178.98 1nf4 h ASP 38 N 1.04 0.95 -0.72 -0.43 1.82 -0.79 -1.63 116.42 116.65 1nf4 h ASP 38 Ca 0.24 -0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1nf4 h ASP 38 Cb 0.19 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1nf4 h ASP 38 CO -0.02 0.83 0.34 -0.78 -1.61 0.00 0.00 179.24 178.00 1nf4 h ASP 39 N 1.00 0.96 0.76 2.28 3.58 -0.75 -1.47 116.42 122.78 1nf4 h ASP 39 Ca 0.24 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nf4 h ASP 39 Cb 0.14 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1nf4 h ASP 39 CO -0.03 0.83 0.00 0.23 -2.88 0.00 0.00 179.24 177.39 1nf4 n MET 40 N -4.41 0.11 -2.99 0.28 2.81 -0.36 -4.92 117.12 107.65 1nf4 n MET 40 Ca 0.06 0.28 -0.12 0.00 -1.81 0.00 0.00 57.70 56.11 1nf4 n MET 40 Cb 0.14 -1.68 0.06 0.00 -0.71 0.00 0.00 33.22 31.03 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 -1.87 -2.82 -3.85 7.83 2.03 -0.55 -4.95 116.55 112.36 1nf4 n ASP 41 Ca 0.04 -0.38 -0.36 0.00 0.52 0.00 0.00 54.79 54.60 1nf4 n ASP 41 Cb 0.24 -3.41 -0.03 0.00 -0.72 0.00 0.00 41.12 37.20 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 -3.30 3.25 -0.01 -0.67 0.53 -0.68 -2.27 117.16 114.00 1nf4 n TYR 42 Ca -0.13 -3.47 -0.09 0.00 -1.02 0.00 0.00 57.90 53.19 1nf4 n TYR 42 Cb 0.59 -1.03 -0.03 0.00 -1.03 0.00 0.00 39.34 37.84 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 5.19 -0.27 1.17 2.72 0.00 -1.67 0.91 103.07 111.13 1nf4 h GLY 43 Ca 0.19 0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.85 1nf4 h GLY 43 CO 1.06 -0.20 0.55 -2.09 0.00 0.00 0.00 176.54 175.86 1nf4 h GLU 44 N -0.31 1.08 -0.16 4.80 4.81 -1.67 0.71 114.58 123.85 1nf4 h GLU 44 Ca 0.11 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1nf4 h GLU 44 Cb 0.48 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1nf4 h GLU 44 CO -0.34 0.72 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.42 1nf4 h LEU 45 N 1.12 0.42 -0.91 1.64 3.38 -1.56 -1.96 115.31 117.45 1nf4 h LEU 45 Ca 0.31 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1nf4 h LEU 45 Cb -0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1nf4 h LEU 45 CO -0.07 0.82 0.59 0.00 0.09 0.00 0.00 178.44 179.87 1nf4 h ALA 46 N 0.61 1.19 -0.41 1.53 0.00 -0.17 -0.69 119.26 121.32 1nf4 h ALA 46 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nf4 h ALA 46 Cb 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1nf4 h ALA 46 CO 0.04 0.47 0.10 0.00 0.00 0.00 0.00 179.25 179.86 1nf4 h ALA 47 N 1.37 0.54 0.00 0.00 0.00 0.55 -2.52 119.26 119.20 1nf4 h ALA 47 Ca 0.36 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 47 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nf4 h ALA 47 CO -0.11 0.22 -0.54 -0.91 0.00 0.00 0.00 179.25 177.91 1nf4 h ASN 48 N 0.52 0.00 -0.49 0.00 2.35 -1.03 -1.94 115.58 114.99 1nf4 h ASN 48 Ca 0.13 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1nf4 h ASN 48 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1nf4 h ASN 48 CO 0.00 0.54 0.30 -0.03 -1.65 0.00 0.00 177.43 176.59 1nf4 h MET 49 N 0.00 0.66 -0.52 0.81 4.05 -0.95 -1.37 114.93 117.62 1nf4 h MET 49 Ca -0.01 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 1nf4 h MET 49 Cb 1.07 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 1nf4 h MET 49 CO 0.07 0.48 -0.08 -0.22 0.23 0.00 0.00 176.91 177.39 1nf4 h LYS 50 N 0.66 0.97 -0.88 0.39 3.64 -1.17 -0.64 116.57 119.53 1nf4 h LYS 50 Ca 0.18 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1nf4 h LYS 50 Cb -0.02 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1nf4 h LYS 50 CO -0.03 1.02 0.52 -0.07 -2.27 0.00 0.00 179.45 178.61 1nf4 h LEU 51 N 0.84 1.06 -0.51 5.20 3.38 -1.21 0.73 115.31 124.80 1nf4 h LEU 51 Ca 0.14 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1nf4 h LEU 51 Cb 0.63 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1nf4 h LEU 51 CO 0.04 0.83 -0.20 0.40 0.09 0.00 0.00 178.44 179.60 1nf4 h ILE 52 N 1.22 1.27 -1.00 1.22 2.04 -0.91 -1.16 117.51 120.18 1nf4 h ILE 52 Ca 0.31 -1.36 0.12 0.00 1.00 0.00 0.00 64.86 64.93 1nf4 h ILE 52 Cb -0.03 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1nf4 h ILE 52 CO -0.06 0.47 0.63 0.00 0.00 0.00 0.00 178.15 179.20 1nf4 h ALA 53 N 0.89 1.52 -0.44 1.87 0.00 -0.29 -0.90 119.26 121.92 1nf4 h ALA 53 Ca 0.12 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 53 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nf4 h ALA 53 CO 0.06 0.24 -0.19 0.82 0.00 0.00 0.00 179.25 180.18 1nf4 h ILE 54 N 1.01 1.27 -0.98 0.00 2.04 -0.50 -0.28 117.51 120.06 1nf4 h ILE 54 Ca 0.49 -1.32 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1nf4 h ILE 54 Cb 0.46 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 1nf4 h ILE 54 CO -0.25 0.45 0.63 0.44 0.00 0.00 0.00 178.15 179.42 1nf4 h ASP 55 N 0.75 0.96 0.01 1.72 3.32 0.04 -1.42 116.42 121.81 1nf4 h ASP 55 Ca 0.11 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1nf4 h ASP 55 Cb 0.73 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1nf4 h ASP 55 CO 0.06 0.58 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.48 1nf4 h GLU 56 N 1.07 0.47 -0.49 3.56 4.39 -0.28 -1.34 114.58 121.95 1nf4 h GLU 56 Ca 0.45 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.95 1nf4 h GLU 56 Cb 0.31 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1nf4 h GLU 56 CO -0.20 0.75 0.31 0.52 -1.16 0.00 0.00 179.01 179.23 1nf4 h MET 57 N 0.40 0.60 -0.39 2.33 2.86 -0.52 -0.75 114.93 119.47 1nf4 h MET 57 Ca 0.04 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1nf4 h MET 57 Cb 0.80 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1nf4 h MET 57 CO 0.06 0.40 -0.01 -0.09 1.06 0.00 0.00 176.91 178.33 1nf4 h ARG 58 N 0.62 0.62 -0.45 1.72 2.43 -0.89 -1.22 114.38 117.21 1nf4 h ARG 58 Ca 0.19 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1nf4 h ARG 58 Cb -0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1nf4 h ARG 58 CO -0.07 0.65 0.12 0.45 -1.51 0.00 0.00 179.97 179.61 1nf4 h HIS 59 N 0.59 0.75 -0.78 2.20 3.86 -0.83 -0.82 115.15 120.11 1nf4 h HIS 59 Ca 0.12 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1nf4 h HIS 59 Cb 0.39 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 1nf4 h HIS 59 CO 0.02 0.68 0.51 0.00 0.86 0.00 0.00 177.93 180.00 1nf4 h ALA 60 N 0.98 1.00 -0.67 2.45 0.00 -0.67 0.13 119.26 122.47 1nf4 h ALA 60 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nf4 h ALA 60 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1nf4 h ALA 60 CO -0.00 0.38 0.25 1.49 0.00 0.00 0.00 179.25 181.37 1nf4 h GLU 61 N 1.04 1.02 -0.26 0.00 4.81 -1.03 -0.76 114.58 119.39 1nf4 h GLU 61 Ca 0.29 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1nf4 h GLU 61 Cb -0.09 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1nf4 h GLU 61 CO -0.07 0.86 -0.42 -0.91 -0.73 0.00 0.00 179.01 177.74 1nf4 h ASN 62 N 0.96 0.81 -0.43 1.04 4.21 -0.65 -1.06 115.58 120.46 1nf4 h ASN 62 Ca 0.22 -0.52 0.04 0.00 1.21 0.00 0.00 56.30 57.25 1nf4 h ASN 62 Cb 0.24 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 1nf4 h ASN 62 CO -0.01 1.18 0.19 -0.26 -1.29 0.00 0.00 177.43 177.24 1nf4 h PHE 63 N 0.47 0.35 -0.33 1.19 0.05 -0.89 -2.05 116.94 115.72 1nf4 h PHE 63 Ca 0.02 0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.87 1nf4 h PHE 63 Cb 1.02 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 38.83 1nf4 h PHE 63 CO 0.08 0.16 0.09 0.00 -0.18 0.00 0.00 178.31 178.46 1nf4 h ALA 64 N 1.25 0.37 -0.59 2.45 0.00 -0.97 -0.00 119.26 121.76 1nf4 h ALA 64 Ca 0.19 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1nf4 h ALA 64 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1nf4 h ALA 64 CO -0.16 -0.32 0.21 0.93 0.00 0.00 0.00 179.25 179.91 1nf4 h GLU 65 N 0.21 0.87 -0.31 0.00 5.08 -1.03 -0.49 114.58 118.92 1nf4 h GLU 65 Ca 0.16 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1nf4 h GLU 65 Cb 0.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1nf4 h GLU 65 CO -0.19 0.73 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.15 1nf4 h ARG 66 N 0.86 0.67 -0.47 2.33 9.65 -1.01 -1.71 114.38 124.70 1nf4 h ARG 66 Ca 0.20 -0.30 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1nf4 h ARG 66 Cb 0.21 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 1nf4 h ARG 66 CO -0.01 0.90 0.26 0.82 2.80 0.00 0.00 179.97 184.74 1nf4 h ILE 67 N 0.57 1.02 -0.55 1.20 2.04 -0.00 -1.78 117.51 120.01 1nf4 h ILE 67 Ca 0.07 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1nf4 h ILE 67 Cb 0.82 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1nf4 h ILE 67 CO 0.07 0.10 0.31 0.11 0.00 0.00 0.00 178.15 178.73 1nf4 h LYS 68 N 0.52 0.76 -0.17 2.37 1.79 -0.92 -0.36 116.57 120.56 1nf4 h LYS 68 Ca 0.19 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 1nf4 h LYS 68 Cb 0.05 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1nf4 h LYS 68 CO -0.10 0.58 0.12 0.93 -1.08 0.00 0.00 179.45 179.89 1nf4 h GLU 69 N 0.73 0.04 -0.01 3.15 5.08 -0.83 0.82 114.58 123.56 1nf4 h GLU 69 Ca 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nf4 h GLU 69 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nf4 h GLU 69 CO -0.03 0.03 -0.01 1.28 -1.00 0.00 0.00 179.01 179.28 1nf4 n LEU 70 N -4.49 0.80 0.00 1.33 4.77 -0.71 -4.93 117.00 113.76 1nf4 n LEU 70 Ca 0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1nf4 n LEU 70 Cb 0.22 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1nf4 n LEU 70 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1nf4 n GLY 71 N 1.11 0.55 2.73 -0.72 0.00 0.28 -4.96 105.19 104.19 1nf4 n GLY 71 Ca 0.21 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.87 0.85 3.20 -0.02 0.00 -0.20 -4.98 105.19 101.17 1nf4 n GLY 72 Ca 0.00 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -4.24 3.12 0.14 1.61 2.56 -1.26 -4.15 118.70 116.49 1nf4 s GLU 73 Ca 0.46 -0.77 -0.31 0.00 0.00 0.00 0.00 54.97 54.35 1nf4 s GLU 73 Cb -0.03 -2.66 -0.08 0.00 2.00 0.00 0.00 34.13 33.35 1nf4 s GLU 73 CO 0.30 -0.14 1.40 -2.14 -0.56 0.00 0.00 175.26 174.12 1nf4 s PRO 74 N 1.19 4.32 0.75 4.30 0.02 -1.26 -4.99 135.00 139.33 1nf4 s PRO 74 Ca 0.02 2.11 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1nf4 s PRO 74 Cb -0.14 -3.22 0.05 0.00 0.02 0.00 0.00 34.50 31.21 1nf4 s PRO 74 CO -0.07 -0.42 1.20 -0.08 -0.33 0.00 0.00 177.00 177.30 1nf4 s THR 75 N 0.86 2.29 0.00 0.99 -1.32 -1.26 -4.96 115.64 112.24 1nf4 s THR 75 Ca 0.63 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.25 1nf4 s THR 75 Cb -0.38 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 1nf4 s THR 75 CO 0.33 -0.08 0.89 0.35 -2.21 0.00 0.00 174.62 173.89 1nf4 n THR 76 N -2.86 0.78 -4.42 5.08 -2.24 -1.26 -4.90 114.28 104.45 1nf4 n THR 76 Ca 0.13 -0.87 -0.34 0.00 -2.27 0.00 0.00 64.05 60.70 1nf4 n THR 76 Cb 0.50 0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.78 3.35 0.60 -0.78 -1.52 -1.26 -5.10 119.66 114.17 1nf4 s GLN 77 Ca 0.00 -0.49 -0.15 0.00 -1.95 0.00 0.00 55.36 52.77 1nf4 s GLN 77 Cb 0.00 -2.83 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 1nf4 s GLN 77 CO 0.00 0.43 1.05 -1.59 -0.25 0.00 0.00 175.29 174.93 1nf4 s LYS 78 N -0.16 3.34 -0.16 2.91 -2.85 -1.26 -4.42 119.74 117.14 1nf4 s LYS 78 Ca 0.03 1.10 -0.18 0.00 -1.00 0.00 0.00 55.97 55.92 1nf4 s LYS 78 Cb -0.13 -2.04 -0.04 0.00 -2.06 0.00 0.00 37.83 33.56 1nf4 s LYS 78 CO 0.02 -0.79 0.49 -2.00 0.10 0.00 0.00 175.35 173.18 1nf4 s GLU 79 N -4.31 4.26 0.40 1.78 2.56 0.59 -4.90 118.70 119.08 1nf4 s GLU 79 Ca 0.61 0.42 0.00 0.00 0.00 0.00 0.00 54.97 56.00 1nf4 s GLU 79 Cb -0.15 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.49 1nf4 s GLU 79 CO 0.40 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.52 1nf4 n GLY 80 N 3.59 -2.06 3.70 -1.50 0.00 -1.26 -4.67 105.19 102.99 1nf4 n GLY 80 Ca -0.06 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 1nf4 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nf4 s LYS 81 N -1.04 2.75 0.07 1.61 2.20 -1.26 -4.98 119.74 119.09 1nf4 s LYS 81 Ca 0.00 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 1nf4 s LYS 81 Cb 0.00 -2.65 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 1nf4 s LYS 81 CO 0.00 0.60 1.03 0.08 -0.36 0.00 0.00 175.35 176.70 1nf4 s VAL 82 N -1.17 4.46 -0.23 4.02 1.01 -1.26 -5.03 120.40 122.19 1nf4 s VAL 82 Ca 0.22 1.90 -0.15 0.00 0.00 0.00 0.00 61.98 63.95 1nf4 s VAL 82 Cb -0.12 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1nf4 s VAL 82 CO 0.13 0.22 0.38 -0.69 0.00 0.00 0.00 175.10 175.15 1nf4 s VAL 83 N 0.49 5.20 0.40 2.92 1.01 -1.26 -5.09 120.40 124.08 1nf4 s VAL 83 Ca 0.51 0.63 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1nf4 s VAL 83 Cb -0.24 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1nf4 s VAL 83 CO 0.30 0.22 0.30 0.42 0.00 0.00 0.00 175.10 176.34 1nf4 s THR 84 N 1.57 2.67 -0.96 3.92 -4.23 -1.26 -4.64 115.64 112.72 1nf4 s THR 84 Ca 0.17 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1nf4 s THR 84 Cb -0.15 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1nf4 s THR 84 CO 0.08 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1nf4 n GLY 85 N -1.43 1.03 3.75 3.99 0.00 -1.26 -4.98 105.19 106.29 1nf4 n GLY 85 Ca 0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.55 4.35 0.75 1.61 -0.21 -1.26 -5.00 119.66 117.35 1nf4 s GLN 86 Ca 0.00 2.17 -0.13 0.00 0.02 0.00 0.00 55.36 57.42 1nf4 s GLN 86 Cb 0.00 -3.14 0.05 0.00 1.00 0.00 0.00 33.01 30.92 1nf4 s GLN 86 CO 0.00 -0.28 1.14 0.00 -2.12 0.00 0.00 175.29 174.03 1nf4 s ALA 87 N -0.22 2.14 0.16 6.09 0.00 -1.26 -4.71 121.76 123.96 1nf4 s ALA 87 Ca 0.56 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1nf4 s ALA 87 Cb -0.39 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.43 1nf4 s ALA 87 CO 0.43 -1.84 1.66 0.28 0.00 0.00 0.00 175.76 176.30 1nf4 h VAL 88 N -0.67 0.57 -0.93 0.00 2.07 -2.00 0.69 116.25 115.98 1nf4 h VAL 88 Ca -0.46 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1nf4 h VAL 88 Cb 1.26 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1nf4 h VAL 88 CO 0.50 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 178.05 1nf4 h PRO 89 N -0.05 1.07 -0.46 1.57 0.11 -1.98 -2.34 132.00 129.92 1nf4 h PRO 89 Ca 0.18 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1nf4 h PRO 89 Cb 0.32 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1nf4 h PRO 89 CO -0.40 0.71 -0.11 0.28 -0.21 0.00 0.00 178.00 178.27 1nf4 h VAL 90 N 1.10 1.26 -0.38 3.15 2.07 -1.54 -1.10 116.25 120.81 1nf4 h VAL 90 Ca 0.39 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.79 1nf4 h VAL 90 Cb 0.14 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1nf4 h VAL 90 CO -0.14 0.41 -0.11 0.40 0.02 0.00 0.00 177.57 178.15 1nf4 h ILE 91 N 0.75 0.59 0.04 4.57 2.04 -0.37 -0.47 117.51 124.66 1nf4 h ILE 91 Ca 0.12 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.76 1nf4 h ILE 91 Cb 0.61 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1nf4 h ILE 91 CO 0.04 0.00 -1.05 1.88 0.00 0.00 0.00 178.15 179.02 1nf4 h TYR 92 N -0.02 0.20 -0.13 1.37 -1.99 -1.37 -0.81 116.97 114.22 1nf4 h TYR 92 Ca 0.18 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1nf4 h TYR 92 Cb 0.30 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 1nf4 h TYR 92 CO -0.35 1.07 0.03 1.49 -0.00 0.00 0.00 178.16 180.40 1nf4 h GLU 93 N 0.04 0.21 -0.09 4.88 4.81 -1.03 -2.51 114.58 120.88 1nf4 h GLU 93 Ca -0.05 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 1nf4 h GLU 93 Cb 1.77 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 1nf4 h GLU 93 CO 0.15 0.38 -0.59 0.77 -0.73 0.00 0.00 179.01 178.99 1nf4 h SER 94 N -0.00 0.34 -0.55 1.04 0.02 -1.10 -2.30 113.55 111.00 1nf4 h SER 94 Ca 0.04 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 1nf4 h SER 94 Cb 0.27 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1nf4 h SER 94 CO 0.00 0.85 -0.10 0.44 -1.14 0.00 0.00 176.83 176.88 1nf4 h ASP 95 N 0.23 1.04 -0.78 3.07 3.32 -1.15 0.97 116.42 123.12 1nf4 h ASP 95 Ca -0.00 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.72 1nf4 h ASP 95 Cb 1.10 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1nf4 h ASP 95 CO 0.10 1.15 0.51 0.00 -1.72 0.00 0.00 179.24 179.27 1nf4 h ALA 96 N 0.94 1.00 -0.56 3.45 0.00 -1.38 -0.42 119.26 122.29 1nf4 h ALA 96 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nf4 h ALA 96 Cb 0.67 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nf4 h ALA 96 CO 0.05 0.38 0.20 -0.44 0.00 0.00 0.00 179.25 179.44 1nf4 h ASP 97 N 1.04 0.80 -0.24 0.00 3.32 -1.09 -1.61 116.42 118.65 1nf4 h ASP 97 Ca 0.29 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1nf4 h ASP 97 Cb -0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1nf4 h ASP 97 CO -0.08 0.78 0.05 -0.61 -1.72 0.00 0.00 179.24 177.66 1nf4 h GLN 98 N 0.78 0.38 -0.95 3.56 4.15 -0.43 0.19 115.11 122.78 1nf4 h GLN 98 Ca 0.18 -0.09 0.10 0.00 0.77 0.00 0.00 58.65 59.61 1nf4 h GLN 98 Cb 0.25 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 1nf4 h GLN 98 CO -0.01 0.49 0.59 0.93 -1.93 0.00 0.00 178.83 178.90 1nf4 h GLU 99 N 0.20 0.95 -0.20 1.69 4.39 -1.02 0.35 114.58 120.95 1nf4 h GLU 99 Ca 0.07 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1nf4 h GLU 99 Cb 0.29 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1nf4 h GLU 99 CO 0.00 0.63 -0.03 0.22 -1.16 0.00 0.00 179.01 178.67 1nf4 h ASP 100 N 0.98 0.38 -0.89 1.42 1.82 -0.99 -0.86 116.42 118.28 1nf4 h ASP 100 Ca 0.46 -0.35 0.05 0.00 -0.39 0.00 0.00 57.03 56.80 1nf4 h ASP 100 Cb 0.38 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 1nf4 h ASP 100 CO -0.24 0.64 0.56 0.00 -1.61 0.00 0.00 179.24 178.59 1nf4 h ALA 101 N 0.75 1.21 -0.42 -0.78 0.00 -0.35 -1.77 119.26 117.90 1nf4 h ALA 101 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 101 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nf4 h ALA 101 CO 0.02 0.35 0.23 1.15 0.00 0.00 0.00 179.25 180.99 1nf4 h THR 102 N 1.05 1.16 -0.50 0.00 2.02 0.07 -1.08 112.91 115.63 1nf4 h THR 102 Ca 0.38 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1nf4 h THR 102 Cb 0.12 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1nf4 h THR 102 CO -0.16 0.17 0.11 0.40 0.37 0.00 0.00 175.52 176.41 1nf4 h ILE 103 N 0.55 1.22 -0.50 3.11 2.04 -0.80 0.79 117.51 123.92 1nf4 h ILE 103 Ca 0.15 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1nf4 h ILE 103 Cb 0.06 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1nf4 h ILE 103 CO -0.02 0.29 0.17 -0.33 0.00 0.00 0.00 178.15 178.25 1nf4 h GLU 104 N 0.73 0.76 -0.00 2.37 4.39 -1.02 -1.56 114.58 120.26 1nf4 h GLU 104 Ca 0.16 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nf4 h GLU 104 Cb 0.28 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1nf4 h GLU 104 CO -0.00 0.71 -0.00 0.00 -1.16 0.00 0.00 179.01 178.56 1nf4 h ALA 105 N 1.02 0.00 -0.58 3.43 0.00 -0.60 -2.58 119.26 119.95 1nf4 h ALA 105 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 105 Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nf4 h ALA 105 CO -0.01 -0.28 0.38 1.88 0.00 0.00 0.00 179.25 181.22 1nf4 h TYR 106 N -0.43 0.61 -0.67 0.00 -1.99 -0.88 0.89 116.97 114.52 1nf4 h TYR 106 Ca 0.00 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1nf4 h TYR 106 Cb 0.43 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1nf4 h TYR 106 CO 0.08 0.35 0.21 0.77 -0.00 0.00 0.00 178.16 179.56 1nf4 h SER 107 N 0.63 0.95 -0.34 3.88 0.02 -1.19 0.17 113.55 117.66 1nf4 h SER 107 Ca 0.24 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1nf4 h SER 107 Cb 0.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1nf4 h SER 107 CO -0.07 0.89 -0.33 1.56 -1.14 0.00 0.00 176.83 177.74 1nf4 h GLN 108 N 0.98 0.83 -0.78 3.45 1.08 -0.58 -2.79 115.11 117.30 1nf4 h GLN 108 Ca 0.22 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1nf4 h GLN 108 Cb 0.28 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1nf4 h GLN 108 CO -0.01 1.07 0.51 0.74 -0.95 0.00 0.00 178.83 180.20 1nf4 h PHE 109 N 0.61 0.94 -0.84 2.96 0.05 -0.25 -1.95 116.94 118.47 1nf4 h PHE 109 Ca 0.06 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.84 1nf4 h PHE 109 Cb 0.91 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 38.51 1nf4 h PHE 109 CO 0.07 0.56 0.42 1.25 -0.18 0.00 0.00 178.31 180.44 1nf4 h LEU 110 N 0.99 1.07 -0.18 1.54 6.46 -0.64 -2.25 115.31 122.30 1nf4 h LEU 110 Ca 0.30 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1nf4 h LEU 110 Cb -0.02 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 1nf4 h LEU 110 CO -0.08 0.89 0.09 0.50 -0.62 0.00 0.00 178.44 179.22 1nf4 h LYS 111 N 1.18 0.26 -0.69 1.25 3.64 -1.10 -2.60 116.57 118.52 1nf4 h LYS 111 Ca 0.29 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1nf4 h LYS 111 Cb 0.08 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1nf4 h LYS 111 CO -0.04 0.27 0.36 0.28 -2.27 0.00 0.00 179.45 178.05 1nf4 h VAL 112 N 0.18 0.90 -0.90 2.00 2.07 -1.11 -1.47 116.25 117.91 1nf4 h VAL 112 Ca 0.06 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1nf4 h VAL 112 Cb 0.09 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1nf4 h VAL 112 CO -0.01 0.12 0.58 0.00 0.02 0.00 0.00 177.57 178.28 1nf4 h LYS 114 N 1.11 0.87 -0.44 0.00 1.57 -1.05 0.37 116.57 119.01 1nf4 h LYS 114 Ca 0.37 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1nf4 h LYS 114 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1nf4 h LYS 114 CO -0.13 0.95 0.30 0.93 -0.57 0.00 0.00 179.45 180.92 1nf4 h GLU 115 N 0.72 0.45 -0.61 3.15 5.08 -0.80 -1.54 114.58 121.02 1nf4 h GLU 115 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nf4 h GLU 115 Cb 0.60 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1nf4 h GLU 115 CO 0.04 0.30 0.00 1.04 -1.00 0.00 0.00 179.01 179.38 1nf4 n GLN 116 N -4.48 2.68 -4.01 2.33 1.13 0.37 -4.92 117.38 110.48 1nf4 n GLN 116 Ca 0.05 -1.67 -0.32 0.00 -1.94 0.00 0.00 57.00 53.12 1nf4 n GLN 116 Cb 0.17 -1.67 0.01 0.00 0.11 0.00 0.00 30.24 28.85 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 0.71 -0.46 3.10 1.08 0.00 -0.58 -4.91 105.19 104.13 1nf4 n GLY 117 Ca 0.15 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.39 5.43 0.12 1.61 -1.08 0.12 -4.94 116.67 114.53 1nf4 s ASP 118 Ca 0.64 -3.08 -0.17 0.00 -0.52 0.00 0.00 52.55 49.42 1nf4 s ASP 118 Cb -0.33 -1.87 -0.03 0.00 -1.46 0.00 0.00 42.92 39.23 1nf4 s ASP 118 CO 0.86 -0.32 1.62 0.40 0.52 0.00 0.00 175.17 178.25 1nf4 h ILE 119 N 4.96 1.22 -0.39 4.11 1.08 -1.92 -2.13 117.51 124.44 1nf4 h ILE 119 Ca 0.03 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1nf4 h ILE 119 Cb 0.92 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 1nf4 h ILE 119 CO 0.74 0.25 0.23 0.58 -0.69 0.00 0.00 178.15 179.26 1nf4 h VAL 120 N 0.42 1.05 -0.37 1.67 2.07 -1.97 -1.45 116.25 117.67 1nf4 h VAL 120 Ca 0.11 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1nf4 h VAL 120 Cb 0.28 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1nf4 h VAL 120 CO -0.00 0.09 -0.37 0.74 0.02 0.00 0.00 177.57 178.04 1nf4 h THR 121 N 0.47 1.28 -0.73 2.57 2.02 -1.94 -2.25 112.91 114.32 1nf4 h THR 121 Ca 0.15 -1.55 0.08 0.00 0.77 0.00 0.00 66.41 65.86 1nf4 h THR 121 Cb -0.00 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 1nf4 h THR 121 CO -0.07 0.51 0.41 0.00 0.37 0.00 0.00 175.52 176.75 1nf4 h ALA 122 N 0.76 1.01 -0.25 6.16 0.00 -1.22 -1.71 119.26 124.01 1nf4 h ALA 122 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 122 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1nf4 h ALA 122 CO 0.09 0.06 -0.24 -0.09 0.00 0.00 0.00 179.25 179.08 1nf4 h ARG 123 N 0.72 0.47 -0.66 0.00 9.65 -1.08 -1.21 114.38 122.27 1nf4 h ARG 123 Ca 0.34 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1nf4 h ARG 123 Cb 0.27 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 1nf4 h ARG 123 CO -0.22 0.68 0.35 1.25 2.80 0.00 0.00 179.97 184.83 1nf4 h LEU 124 N 0.42 0.83 -0.65 3.80 5.85 -0.77 -1.61 115.31 123.20 1nf4 h LEU 124 Ca 0.06 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1nf4 h LEU 124 Cb 0.64 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1nf4 h LEU 124 CO 0.05 0.70 0.30 -0.26 -0.34 0.00 0.00 178.44 178.89 1nf4 h PHE 125 N 0.90 0.94 -0.72 1.25 -1.00 -1.02 -1.32 116.94 115.97 1nf4 h PHE 125 Ca 0.23 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 1nf4 h PHE 125 Cb 0.06 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 1nf4 h PHE 125 CO -0.00 0.72 0.28 1.49 -1.61 0.00 0.00 178.31 179.18 1nf4 h GLU 126 N 0.89 1.07 -0.25 1.51 4.81 -0.83 0.69 114.58 122.47 1nf4 h GLU 126 Ca 0.22 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1nf4 h GLU 126 Cb 0.14 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1nf4 h GLU 126 CO -0.03 0.87 -0.01 0.00 -0.73 0.00 0.00 179.01 179.12 1nf4 h ARG 127 N 1.04 0.44 -0.23 1.92 3.08 -1.12 -2.76 114.38 116.76 1nf4 h ARG 127 Ca 0.24 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1nf4 h ARG 127 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1nf4 h ARG 127 CO -0.02 0.62 -0.42 0.82 -1.07 0.00 0.00 179.97 179.90 1nf4 h ILE 128 N 0.21 1.30 -0.95 2.04 2.04 -0.89 -2.71 117.51 118.55 1nf4 h ILE 128 Ca 0.07 -1.60 0.04 0.00 1.00 0.00 0.00 64.86 64.38 1nf4 h ILE 128 Cb 0.42 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1nf4 h ILE 128 CO 0.01 0.50 0.62 0.40 0.00 0.00 0.00 178.15 179.69 1nf4 h ILE 129 N 0.45 1.14 -0.47 -0.67 2.04 -0.85 0.04 117.51 119.19 1nf4 h ILE 129 Ca 0.04 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1nf4 h ILE 129 Cb 0.93 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1nf4 h ILE 129 CO 0.08 0.21 0.14 -0.33 0.00 0.00 0.00 178.15 178.25 1nf4 h GLU 130 N 1.17 0.69 -0.31 2.37 5.08 -1.18 -0.34 114.58 122.06 1nf4 h GLU 130 Ca 0.39 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1nf4 h GLU 130 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1nf4 h GLU 130 CO -0.13 0.61 -0.44 0.93 -1.00 0.00 0.00 179.01 178.98 1nf4 h GLU 131 N 0.67 0.79 -0.43 2.33 5.08 -1.08 -2.33 114.58 119.61 1nf4 h GLU 131 Ca 0.16 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1nf4 h GLU 131 Cb 0.22 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1nf4 h GLU 131 CO -0.01 1.07 0.22 0.93 -1.00 0.00 0.00 179.01 180.23 1nf4 h GLU 132 N 0.64 0.59 -0.46 2.33 4.39 -0.48 -1.09 114.58 120.51 1nf4 h GLU 132 Ca 0.04 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1nf4 h GLU 132 Cb 1.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1nf4 h GLU 132 CO 0.10 0.45 0.04 0.37 -1.16 0.00 0.00 179.01 178.81 1nf4 h GLN 133 N 0.60 0.72 -0.64 2.33 5.75 -0.69 0.12 115.11 123.30 1nf4 h GLN 133 Ca 0.15 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1nf4 h GLN 133 Cb 0.04 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1nf4 h GLN 133 CO -0.02 0.70 0.15 0.00 -2.65 0.00 0.00 178.83 177.01 1nf4 h ALA 134 N 1.36 1.05 0.04 3.38 0.00 -0.71 -1.70 119.26 122.68 1nf4 h ALA 134 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nf4 h ALA 134 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nf4 h ALA 134 CO 0.01 0.62 -0.02 0.45 0.00 0.00 0.00 179.25 180.32 1nf4 h HIS 135 N 0.97 -0.05 -0.26 0.00 3.86 -0.57 -1.73 115.15 117.37 1nf4 h HIS 135 Ca 0.20 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1nf4 h HIS 135 Cb 0.36 0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.77 1nf4 h HIS 135 CO 0.02 0.20 -0.22 1.25 0.86 0.00 0.00 177.93 180.05 1nf4 h LEU 136 N -0.30 -0.71 -0.80 2.43 5.85 -0.67 -0.31 115.31 120.80 1nf4 h LEU 136 Ca -0.01 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1nf4 h LEU 136 Cb 0.27 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1nf4 h LEU 136 CO 0.01 -0.26 0.45 0.74 -0.34 0.00 0.00 178.44 179.04 1nf4 h THR 137 N -0.21 0.91 -0.25 1.05 2.02 -1.33 0.10 112.91 115.20 1nf4 h THR 137 Ca 0.14 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1nf4 h THR 137 Cb 0.44 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1nf4 h THR 137 CO -0.39 0.14 0.15 0.22 0.37 0.00 0.00 175.52 176.01 1nf4 h TYR 138 N 0.76 0.33 -0.27 3.16 3.20 -0.17 -1.68 116.97 122.31 1nf4 h TYR 138 Ca 0.38 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.12 1nf4 h TYR 138 Cb 0.34 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1nf4 h TYR 138 CO -0.07 0.25 -0.38 1.88 -1.64 0.00 0.00 178.16 178.20 1nf4 h TYR 139 N 0.32 0.75 -0.57 -3.82 0.99 -0.42 -1.62 116.97 112.59 1nf4 h TYR 139 Ca 0.09 -0.21 -0.03 0.00 2.00 0.00 0.00 58.73 60.58 1nf4 h TYR 139 Cb 0.01 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 37.55 1nf4 h TYR 139 CO -0.05 0.92 0.23 0.93 -0.00 0.00 0.00 178.16 180.19 1nf4 h GLU 140 N 0.52 0.86 -0.07 4.88 5.08 -0.91 0.14 114.58 125.08 1nf4 h GLU 140 Ca 0.05 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1nf4 h GLU 140 Cb 0.89 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1nf4 h GLU 140 CO 0.08 0.74 0.02 -0.91 -1.00 0.00 0.00 179.01 177.94 1nf4 h ASN 141 N 0.79 0.02 -0.45 1.42 2.35 -0.96 -0.08 115.58 118.66 1nf4 h ASN 141 Ca 0.19 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1nf4 h ASN 141 Cb 0.20 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1nf4 h ASN 141 CO -0.02 0.02 0.07 0.40 -1.65 0.00 0.00 177.43 176.25 1nf4 h ILE 142 N 0.05 1.25 -0.90 2.81 1.08 -1.19 -1.75 117.51 118.86 1nf4 h ILE 142 Ca 0.03 -0.91 0.11 0.00 -0.39 0.00 0.00 64.86 63.70 1nf4 h ILE 142 Cb 0.02 0.97 -0.08 0.00 -3.07 0.00 0.00 36.82 34.66 1nf4 h ILE 142 CO -0.04 0.32 0.53 1.23 -0.69 0.00 0.00 178.15 179.50 1nf4 h GLY 143 N 0.60 1.44 1.17 5.37 0.00 -0.79 -1.15 103.07 109.71 1nf4 h GLY 143 Ca 0.14 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1nf4 h GLY 143 CO 0.01 0.13 0.06 0.23 0.00 0.00 0.00 176.54 176.97 1nf4 h SER 144 N 0.86 0.97 0.02 0.19 0.87 -0.64 -0.79 113.55 115.03 1nf4 h SER 144 Ca 0.44 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 1nf4 h SER 144 Cb 0.44 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1nf4 h SER 144 CO -0.27 0.99 -0.42 0.45 -0.53 0.00 0.00 176.83 177.06 1nf4 h HIS 145 N 0.94 0.59 -0.26 2.24 -0.00 -0.44 -1.73 115.15 116.49 1nf4 h HIS 145 Ca 0.18 -0.17 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 1nf4 h HIS 145 Cb 0.46 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1nf4 h HIS 145 CO 0.03 0.84 -0.20 0.82 -0.00 0.00 0.00 177.93 179.42 1nf4 h ILE 146 N 0.41 1.31 -0.28 2.45 2.04 -0.97 0.19 117.51 122.66 1nf4 h ILE 146 Ca 0.03 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1nf4 h ILE 146 Cb 0.91 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1nf4 h ILE 146 CO 0.08 0.42 0.15 0.50 0.00 0.00 0.00 178.15 179.30 1nf4 h LYS 147 N 0.32 0.39 0.00 2.37 3.64 -1.08 -1.33 116.57 120.87 1nf4 h LYS 147 Ca 0.05 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1nf4 h LYS 147 Cb 0.74 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1nf4 h LYS 147 CO 0.05 0.33 -1.09 -0.91 -2.27 0.00 0.00 179.45 175.56 1nf4 h ASN 148 N 0.34 0.00 0.00 4.20 2.35 -1.30 -3.39 115.58 117.78 1nf4 h ASN 148 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1nf4 h ASN 148 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1nf4 h ASN 148 CO -0.02 0.66 -0.57 0.18 -1.65 0.00 0.00 177.43 176.03 1nf4 n LEU 149 N -3.08 0.12 0.00 1.61 4.77 0.66 -5.07 117.00 116.00 1nf4 n LEU 149 Ca -0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1nf4 n LEU 149 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1nf4 n LEU 149 CO 0.43 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1nf4 n GLY 150 N 1.54 2.63 0.26 -0.72 0.00 -0.50 -2.27 105.19 106.13 1nf4 n GLY 150 Ca 0.00 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 7.85 0.00 -0.51 1.61 3.32 -1.94 -1.86 116.42 124.90 1nf4 h ASP 151 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 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 0.00 0.26 0.74 -1.72 0.00 0.00 179.24 178.52 1nf4 h THR 152 N 0.00 1.19 -0.17 0.35 2.02 -1.87 0.16 112.91 114.58 1nf4 h THR 152 Ca 0.00 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 1nf4 h THR 152 Cb 0.24 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1nf4 h THR 152 CO 0.00 0.20 -0.08 0.22 0.37 0.00 0.00 175.52 176.24 1nf4 h TYR 153 N 0.67 0.41 -0.99 3.16 3.20 -1.36 -3.05 116.97 119.03 1nf4 h TYR 153 Ca 0.18 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1nf4 h TYR 153 Cb 0.09 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 1nf4 h TYR 153 CO -0.01 0.66 0.63 -0.07 -1.64 0.00 0.00 178.16 177.73 1nf4 h LEU 154 N 0.05 0.97 -1.33 2.82 3.38 -1.46 -1.87 115.31 117.87 1nf4 h LEU 154 Ca 0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1nf4 h LEU 154 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1nf4 h LEU 154 CO 0.02 0.59 0.48 0.00 0.09 0.00 0.00 178.44 179.62 1nf4 h ALA 155 N 1.48 1.61 -0.07 1.53 0.00 -0.59 0.96 119.26 124.17 1nf4 h ALA 155 Ca 0.45 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1nf4 h ALA 155 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nf4 h ALA 155 CO -0.21 0.30 -0.45 -0.22 0.00 0.00 0.00 179.25 178.67 1nf4 h LYS 156 N 0.85 0.17 0.00 0.00 3.64 -1.24 -3.16 116.57 116.83 1nf4 h LYS 156 Ca 0.30 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1nf4 h LYS 156 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1nf4 h LYS 156 CO -0.09 0.59 -0.41 0.82 -2.27 0.00 0.00 179.45 178.09 1nf4 h ILE 157 N 0.14 0.00 -2.68 2.00 1.08 -0.61 -3.44 117.51 114.00 1nf4 h ILE 157 Ca 0.01 -0.79 -0.53 0.00 -0.39 0.00 0.00 64.86 63.16 1nf4 h ILE 157 Cb 0.85 1.56 0.02 0.00 -3.07 0.00 0.00 36.82 36.18 1nf4 h ILE 157 CO 0.07 0.00 1.01 0.00 -0.69 0.00 0.00 178.15 178.53 1nf4 s ALA 158 N -3.22 3.68 0.00 1.87 0.00 -0.33 -2.57 121.76 121.19 1nf4 s ALA 158 Ca 0.05 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1nf4 s ALA 158 Cb 0.09 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1nf4 s ALA 158 CO 0.70 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1nf4 n GLY 159 N 4.01 0.94 3.76 0.00 0.00 -0.96 -5.00 105.19 107.94 1nf4 n GLY 159 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.33 3.15 0.51 2.61 -4.23 -1.06 -4.95 115.64 108.34 1nf4 s THR 160 Ca 0.00 0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 60.71 1nf4 s THR 160 Cb 0.00 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 1nf4 s THR 160 CO 0.00 -0.44 1.16 -2.65 -0.54 0.00 0.00 174.62 172.15 1nf4 n PRO 161 N -3.28 1.46 0.00 3.99 -0.02 -1.26 -3.86 135.00 132.04 1nf4 n PRO 161 Ca 0.10 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 1nf4 n PRO 161 Cb 0.53 -2.32 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.37 1.62 -4.77 2.55 3.41 -1.26 -2.43 113.62 112.38 1nf4 n SER 162 Ca 0.10 -1.31 -0.41 0.00 -0.26 0.00 0.00 58.87 56.99 1nf4 n SER 162 Cb 0.43 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.66 6.63 -0.11 4.04 0.15 -1.26 -4.21 113.70 118.27 1nf4 s SER 163 Ca 0.09 2.78 0.14 0.00 0.70 0.00 0.00 55.95 59.66 1nf4 s SER 163 Cb 0.06 -2.65 0.46 0.00 -1.71 0.00 0.00 66.02 62.19 1nf4 s SER 163 CO 0.10 -0.67 1.37 0.35 1.20 0.00 0.00 173.24 175.59 1nf4 n THR 164 N 1.13 1.81 0.00 6.45 -2.24 -1.26 -4.92 114.28 115.24 1nf4 n THR 164 Ca 0.02 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 1nf4 n THR 164 Cb 0.41 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.06 -0.04 3.73 3.38 0.00 -1.26 -5.03 105.19 105.91 1nf4 n GLY 165 Ca 0.18 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nf4 s THR 166 N 0.00 2.49 0.63 2.61 2.01 -1.26 -4.97 115.64 117.15 1nf4 s THR 166 Ca 0.00 0.25 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 1nf4 s THR 166 Cb 0.00 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1nf4 s THR 166 CO 0.00 -0.12 1.17 0.00 -0.69 0.00 0.00 174.62 174.98 1nf4 n ALA 167 N -2.48 0.79 -1.36 7.40 0.00 -1.26 -4.88 120.51 118.72 1nf4 n ALA 167 Ca 0.13 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.05 1nf4 n ALA 167 Cb 0.50 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.45 1.01 -4.58 0.00 3.41 -1.26 -4.91 113.62 105.84 1nf4 n SER 168 Ca 0.15 0.46 -0.48 0.00 -0.26 0.00 0.00 58.87 58.75 1nf4 n SER 168 Cb 0.48 -1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 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 7.93 1.77 -1.97 4.33 5.02 -1.26 -4.90 118.16 129.08 1nf4 n LYS 169 Ca 0.54 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1nf4 n LYS 169 Cb 0.06 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.31 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 5.48 4.17 0.07 0.72 0.00 -1.26 -5.11 105.19 109.27 1nf4 n GLY 170 Ca 0.31 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 0.98 0.00 0.00 1.61 3.57 -2.06 -3.56 116.94 117.48 1nf4 h PHE 171 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nf4 h PHE 171 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nf4 h PHE 171 CO 0.00 0.86 0.00 1.33 -2.23 0.00 0.00 178.31 178.27