#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 -0.07 -0.29 3.52 2.47 -2.00 -2.01 114.38 116.01 1nf4 h ARG 5 Ca 0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1nf4 h ARG 5 Cb 0.00 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1nf4 h ARG 5 CO 0.00 -0.04 -0.34 0.93 0.56 0.00 0.00 179.97 181.08 1nf4 h GLU 6 N -0.07 0.63 -0.45 0.04 4.39 -2.01 -1.87 114.58 115.24 1nf4 h GLU 6 Ca 0.22 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1nf4 h GLU 6 Cb 0.40 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1nf4 h GLU 6 CO -0.50 0.88 -0.24 0.22 -1.16 0.00 0.00 179.01 178.21 1nf4 h ASP 7 N 0.53 0.99 -0.33 1.42 3.58 -1.92 0.99 116.42 121.68 1nf4 h ASP 7 Ca 0.06 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1nf4 h ASP 7 Cb 0.83 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1nf4 h ASP 7 CO 0.07 1.18 0.21 0.03 -2.88 0.00 0.00 179.24 177.85 1nf4 h ARG 8 N 0.79 0.44 -0.24 0.28 3.08 -1.15 0.93 114.38 118.52 1nf4 h ARG 8 Ca 0.10 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1nf4 h ARG 8 Cb 0.82 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1nf4 h ARG 8 CO 0.07 0.32 0.01 0.87 -1.07 0.00 0.00 179.97 180.17 1nf4 h LYS 9 N 0.44 0.09 -0.73 0.04 1.57 -1.14 -1.41 116.57 115.42 1nf4 h LYS 9 Ca 0.12 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1nf4 h LYS 9 Cb -0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1nf4 h LYS 9 CO -0.02 0.06 0.32 0.00 -0.57 0.00 0.00 179.45 179.23 1nf4 h ALA 10 N 1.19 0.94 -0.16 3.86 0.00 -0.47 -0.53 119.26 124.09 1nf4 h ALA 10 Ca 0.11 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1nf4 h ALA 10 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nf4 h ALA 10 CO -0.18 0.54 -0.35 0.87 0.00 0.00 0.00 179.25 180.13 1nf4 h LYS 11 N 1.04 0.33 -0.06 0.00 1.57 -0.53 -2.05 116.57 116.87 1nf4 h LYS 11 Ca 0.25 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1nf4 h LYS 11 Cb 0.17 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nf4 h LYS 11 CO -0.02 0.65 -0.59 0.28 -0.57 0.00 0.00 179.45 179.19 1nf4 h VAL 12 N 0.29 1.38 -0.88 0.50 2.07 -0.83 -3.07 116.25 115.70 1nf4 h VAL 12 Ca 0.03 -1.95 0.15 0.00 0.82 0.00 0.00 66.70 65.75 1nf4 h VAL 12 Cb 0.76 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 1nf4 h VAL 12 CO 0.06 0.58 0.57 0.40 0.02 0.00 0.00 177.57 179.20 1nf4 h ILE 13 N 0.08 0.81 -0.47 4.57 2.04 -0.95 0.17 117.51 123.76 1nf4 h ILE 13 Ca -0.06 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1nf4 h ILE 13 Cb 1.26 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1nf4 h ILE 13 CO 0.12 0.12 0.17 -0.08 0.00 0.00 0.00 178.15 178.48 1nf4 h GLU 14 N 0.64 0.72 -0.05 2.37 4.81 -1.32 0.55 114.58 122.29 1nf4 h GLU 14 Ca 0.45 -0.14 -0.20 0.00 -0.13 0.00 0.00 59.36 59.34 1nf4 h GLU 14 Cb 0.79 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1nf4 h GLU 14 CO -0.20 0.66 -0.80 -0.39 -0.73 0.00 0.00 179.01 177.55 1nf4 h VAL 15 N 0.62 1.39 -0.52 0.32 -1.51 -0.95 -0.96 116.25 114.64 1nf4 h VAL 15 Ca 0.15 -2.25 -0.01 0.00 -1.23 0.00 0.00 66.70 63.36 1nf4 h VAL 15 Cb 0.23 2.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.58 1nf4 h VAL 15 CO -0.01 0.68 0.29 -0.07 -1.23 0.00 0.00 177.57 177.23 1nf4 h LEU 16 N 0.26 0.62 -0.38 4.19 3.38 -0.49 0.17 115.31 123.07 1nf4 h LEU 16 Ca -0.05 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 1nf4 h LEU 16 Cb 1.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1nf4 h LEU 16 CO 0.14 0.50 -0.81 0.78 0.09 0.00 0.00 178.44 179.13 1nf4 h ASN 17 N 0.72 0.06 -0.31 -0.43 2.35 -0.83 0.73 115.58 117.86 1nf4 h ASN 17 Ca 0.19 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1nf4 h ASN 17 Cb 0.01 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1nf4 h ASN 17 CO -0.03 0.85 0.05 0.11 -1.65 0.00 0.00 177.43 176.76 1nf4 h LYS 18 N 0.03 0.52 -0.46 0.81 1.57 0.05 -1.52 116.57 117.57 1nf4 h LYS 18 Ca -0.02 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1nf4 h LYS 18 Cb 1.43 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 1nf4 h LYS 18 CO 0.11 0.61 0.07 0.00 -0.57 0.00 0.00 179.45 179.67 1nf4 h ALA 19 N 0.89 0.61 -0.73 3.86 0.00 -0.67 -2.02 119.26 121.19 1nf4 h ALA 19 Ca 0.10 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1nf4 h ALA 19 Cb 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1nf4 h ALA 19 CO 0.01 0.33 0.41 -0.09 0.00 0.00 0.00 179.25 179.91 1nf4 h ARG 20 N 0.62 0.71 -0.14 0.00 2.43 -0.77 0.19 114.38 117.42 1nf4 h ARG 20 Ca 0.14 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1nf4 h ARG 20 Cb 0.39 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1nf4 h ARG 20 CO 0.01 0.47 -0.35 0.00 -1.51 0.00 0.00 179.97 178.59 1nf4 h ALA 21 N 1.39 1.15 -0.58 2.80 0.00 -0.99 0.21 119.26 123.23 1nf4 h ALA 21 Ca 0.34 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 21 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nf4 h ALA 21 CO -0.21 0.56 0.02 0.52 0.00 0.00 0.00 179.25 180.14 1nf4 h MET 22 N 0.25 0.99 -0.76 0.00 2.86 -0.52 -1.55 114.93 116.19 1nf4 h MET 22 Ca 0.03 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1nf4 h MET 22 Cb 0.74 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1nf4 h MET 22 CO 0.06 0.96 0.34 0.93 1.06 0.00 0.00 176.91 180.25 1nf4 h GLU 23 N 0.91 1.12 -0.34 1.72 4.39 0.61 -1.93 114.58 121.05 1nf4 h GLU 23 Ca 0.17 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1nf4 h GLU 23 Cb 0.51 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1nf4 h GLU 23 CO 0.02 0.89 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.58 1nf4 h LEU 24 N 1.09 0.58 -0.02 1.33 3.38 -0.78 -0.17 115.31 120.71 1nf4 h LEU 24 Ca 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nf4 h LEU 24 Cb 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1nf4 h LEU 24 CO -0.03 0.73 0.01 -0.74 0.09 0.00 0.00 178.44 178.50 1nf4 h HIS 25 N 0.54 0.03 -0.94 1.13 2.76 -1.15 -2.67 115.15 114.86 1nf4 h HIS 25 Ca 0.10 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1nf4 h HIS 25 Cb 0.52 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.41 1nf4 h HIS 25 CO 0.02 0.21 0.60 0.00 -1.30 0.00 0.00 177.93 177.46 1nf4 h ALA 26 N 0.82 1.29 -0.17 5.26 0.00 -1.07 0.11 119.26 125.50 1nf4 h ALA 26 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 26 Cb 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nf4 h ALA 26 CO -0.00 0.38 -0.03 0.82 0.00 0.00 0.00 179.25 180.42 1nf4 h ILE 27 N 1.09 0.84 -0.33 0.00 2.04 -0.93 0.13 117.51 120.35 1nf4 h ILE 27 Ca 0.40 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.12 1nf4 h ILE 27 Cb 0.15 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1nf4 h ILE 27 CO -0.17 0.00 -0.36 0.45 0.00 0.00 0.00 178.15 178.07 1nf4 h HIS 28 N 0.01 0.91 -0.17 1.37 3.86 -1.07 -1.68 115.15 118.38 1nf4 h HIS 28 Ca 0.08 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1nf4 h HIS 28 Cb 0.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1nf4 h HIS 28 CO -0.19 1.01 0.03 0.37 0.86 0.00 0.00 177.93 180.02 1nf4 h GLN 29 N 0.64 0.28 -0.51 2.45 5.75 -0.53 -1.19 115.11 121.99 1nf4 h GLN 29 Ca 0.06 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1nf4 h GLN 29 Cb 0.90 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 1nf4 h GLN 29 CO 0.08 0.45 0.04 1.88 -2.65 0.00 0.00 178.83 178.63 1nf4 h TYR 30 N 0.07 0.95 -0.27 3.99 0.99 -0.75 -2.70 116.97 119.25 1nf4 h TYR 30 Ca 0.05 -0.15 -0.09 0.00 2.00 0.00 0.00 58.73 60.55 1nf4 h TYR 30 Cb 0.30 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 37.76 1nf4 h TYR 30 CO 0.02 0.87 -0.20 0.52 -0.00 0.00 0.00 178.16 179.37 1nf4 h MET 31 N 0.75 0.50 -0.78 4.88 2.86 -1.28 0.73 114.93 122.59 1nf4 h MET 31 Ca 0.15 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1nf4 h MET 31 Cb 0.47 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1nf4 h MET 31 CO 0.02 0.67 0.50 -0.97 1.06 0.00 0.00 176.91 178.20 1nf4 h ASN 32 N 0.45 0.91 0.09 1.22 -1.24 -1.03 -0.73 115.58 115.25 1nf4 h ASN 32 Ca 0.07 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 1nf4 h ASN 32 Cb 0.60 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1nf4 h ASN 32 CO 0.04 0.67 -0.37 1.56 -1.29 0.00 0.00 177.43 178.04 1nf4 h GLN 33 N 1.06 0.38 -0.37 6.67 4.20 -1.12 -2.23 115.11 123.69 1nf4 h GLN 33 Ca 0.28 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1nf4 h GLN 33 Cb -0.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1nf4 h GLN 33 CO -0.06 0.70 0.24 1.25 -0.67 0.00 0.00 178.83 180.29 1nf4 h HIS 34 N 0.32 0.48 -0.96 2.96 2.76 -0.10 0.14 115.15 120.75 1nf4 h HIS 34 Ca 0.03 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1nf4 h HIS 34 Cb 0.80 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 1nf4 h HIS 34 CO 0.02 0.31 0.63 1.88 -1.30 0.00 0.00 177.93 179.48 1nf4 h TYR 35 N 0.50 1.20 -0.39 5.26 0.99 -0.91 -0.94 116.97 122.68 1nf4 h TYR 35 Ca 0.14 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 1nf4 h TYR 35 Cb -0.04 -0.40 -0.01 0.00 1.00 0.00 0.00 36.73 37.27 1nf4 h TYR 35 CO -0.05 0.74 -0.10 0.77 -0.00 0.00 0.00 178.16 179.53 1nf4 h SER 36 N 1.28 0.76 -0.67 3.88 0.02 -1.02 -1.82 113.55 115.98 1nf4 h SER 36 Ca 0.36 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1nf4 h SER 36 Cb -0.12 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1nf4 h SER 36 CO -0.09 0.95 0.13 -0.07 -1.14 0.00 0.00 176.83 176.61 1nf4 h LEU 37 N 0.56 1.05 -0.58 5.07 3.38 -0.42 -2.00 115.31 122.36 1nf4 h LEU 37 Ca 0.10 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1nf4 h LEU 37 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1nf4 h LEU 37 CO 0.04 1.03 0.12 -0.78 0.09 0.00 0.00 178.44 178.94 1nf4 h ASP 38 N 1.02 0.90 -0.71 -0.43 3.58 -1.18 -2.11 116.42 117.49 1nf4 h ASP 38 Ca 0.21 -0.24 0.08 0.00 0.42 0.00 0.00 57.03 57.49 1nf4 h ASP 38 Cb 0.41 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1nf4 h ASP 38 CO 0.01 0.91 0.38 -0.78 -2.88 0.00 0.00 179.24 176.88 1nf4 h ASP 39 N 0.85 0.53 0.48 2.28 3.58 -1.09 -0.16 116.42 122.88 1nf4 h ASP 39 Ca 0.18 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1nf4 h ASP 39 Cb 0.38 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1nf4 h ASP 39 CO 0.01 0.32 0.00 0.23 -2.88 0.00 0.00 179.24 176.91 1nf4 n MET 40 N -4.82 0.15 -3.46 0.28 2.81 -0.77 -4.91 117.12 106.40 1nf4 n MET 40 Ca 0.10 0.14 -0.18 0.00 -1.81 0.00 0.00 57.70 55.95 1nf4 n MET 40 Cb 0.23 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.38 -2.85 -3.79 7.83 2.03 -0.07 -4.95 116.55 113.38 1nf4 n ASP 41 Ca 0.07 -0.61 -0.35 0.00 0.52 0.00 0.00 54.79 54.43 1nf4 n ASP 41 Cb 0.18 -5.11 -0.05 0.00 -0.72 0.00 0.00 41.12 35.43 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 -4.30 3.31 -0.05 -0.67 0.53 -0.83 -2.13 117.16 113.02 1nf4 n TYR 42 Ca -0.23 -3.62 -0.10 0.00 -1.02 0.00 0.00 57.90 52.92 1nf4 n TYR 42 Cb 0.65 -0.93 -0.04 0.00 -1.03 0.00 0.00 39.34 37.99 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 5.04 -0.51 1.16 2.72 0.00 -1.67 -1.57 103.07 108.23 1nf4 h GLY 43 Ca 0.19 0.47 0.03 0.00 0.00 0.00 0.00 47.33 48.02 1nf4 h GLY 43 CO 1.01 -0.21 0.50 -2.09 0.00 0.00 0.00 176.54 175.75 1nf4 h GLU 44 N -0.38 0.91 -0.26 4.80 4.81 -1.72 0.22 114.58 122.96 1nf4 h GLU 44 Ca 0.11 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 1nf4 h GLU 44 Cb 0.58 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1nf4 h GLU 44 CO -0.46 0.60 -0.53 -0.07 -0.73 0.00 0.00 179.01 177.82 1nf4 h LEU 45 N 0.93 0.84 -0.30 1.64 3.38 -1.68 -2.20 115.31 117.93 1nf4 h LEU 45 Ca 0.30 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1nf4 h LEU 45 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1nf4 h LEU 45 CO -0.08 1.21 -0.19 0.00 0.09 0.00 0.00 178.44 179.46 1nf4 h ALA 46 N 0.81 0.42 -0.26 1.53 0.00 -0.45 -1.78 119.26 119.54 1nf4 h ALA 46 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1nf4 h ALA 46 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1nf4 h ALA 46 CO 0.11 0.36 0.14 0.00 0.00 0.00 0.00 179.25 179.86 1nf4 h ALA 47 N 0.74 0.33 -0.14 0.00 0.00 -0.59 -2.01 119.26 117.59 1nf4 h ALA 47 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 47 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nf4 h ALA 47 CO 0.05 -0.13 -0.38 -0.91 0.00 0.00 0.00 179.25 177.88 1nf4 h ASN 48 N 0.30 0.32 -0.58 0.00 2.35 -1.38 -1.15 115.58 115.43 1nf4 h ASN 48 Ca 0.09 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1nf4 h ASN 48 Cb 0.07 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1nf4 h ASN 48 CO -0.01 0.67 0.21 -0.03 -1.65 0.00 0.00 177.43 176.62 1nf4 h MET 49 N 0.26 0.88 -0.45 0.81 4.05 -1.15 -1.45 114.93 117.88 1nf4 h MET 49 Ca 0.03 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 1nf4 h MET 49 Cb 0.79 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 1nf4 h MET 49 CO 0.06 0.77 0.09 -0.22 0.23 0.00 0.00 176.91 177.84 1nf4 h LYS 50 N 0.80 0.74 -0.84 0.39 3.64 -1.12 -1.67 116.57 118.51 1nf4 h LYS 50 Ca 0.19 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1nf4 h LYS 50 Cb 0.23 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1nf4 h LYS 50 CO -0.01 0.75 0.55 -0.07 -2.27 0.00 0.00 179.45 178.40 1nf4 h LEU 51 N 0.61 0.92 -0.62 5.20 3.38 -0.96 0.01 115.31 123.85 1nf4 h LEU 51 Ca 0.14 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1nf4 h LEU 51 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1nf4 h LEU 51 CO 0.01 0.64 -0.31 0.40 0.09 0.00 0.00 178.44 179.27 1nf4 h ILE 52 N 1.07 1.28 -0.44 1.22 2.04 -1.12 -2.41 117.51 119.15 1nf4 h ILE 52 Ca 0.33 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1nf4 h ILE 52 Cb -0.01 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1nf4 h ILE 52 CO -0.09 0.48 0.16 0.00 0.00 0.00 0.00 178.15 178.70 1nf4 h ALA 53 N 1.02 1.47 -0.30 1.87 0.00 -0.24 -1.98 119.26 121.10 1nf4 h ALA 53 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 53 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nf4 h ALA 53 CO 0.07 0.40 -0.33 0.82 0.00 0.00 0.00 179.25 180.21 1nf4 h ILE 54 N 0.62 1.28 -0.57 0.00 2.04 -0.77 -0.94 117.51 119.17 1nf4 h ILE 54 Ca 0.15 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.59 1nf4 h ILE 54 Cb 0.14 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1nf4 h ILE 54 CO -0.01 0.47 0.32 0.44 0.00 0.00 0.00 178.15 179.37 1nf4 h ASP 55 N 0.55 0.49 -0.04 1.72 3.32 -0.94 -0.93 116.42 120.60 1nf4 h ASP 55 Ca 0.06 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1nf4 h ASP 55 Cb 0.83 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1nf4 h ASP 55 CO 0.07 0.34 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.42 1nf4 h GLU 56 N 0.62 0.40 -0.68 3.56 4.39 -1.07 0.45 114.58 122.25 1nf4 h GLU 56 Ca 0.24 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.84 1nf4 h GLU 56 Cb 0.10 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1nf4 h GLU 56 CO -0.14 0.57 0.44 0.52 -1.16 0.00 0.00 179.01 179.24 1nf4 h MET 57 N 0.37 0.85 -0.43 2.33 2.86 -0.58 0.26 114.93 120.58 1nf4 h MET 57 Ca 0.06 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1nf4 h MET 57 Cb 0.52 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1nf4 h MET 57 CO 0.03 0.56 -0.13 -0.09 1.06 0.00 0.00 176.91 178.35 1nf4 h ARG 58 N 0.88 0.79 -0.49 1.72 2.43 -0.40 -0.09 114.38 119.22 1nf4 h ARG 58 Ca 0.26 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1nf4 h ARG 58 Cb -0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1nf4 h ARG 58 CO -0.08 0.88 0.11 0.45 -1.51 0.00 0.00 179.97 179.82 1nf4 h HIS 59 N 0.71 0.83 -0.81 2.20 3.86 -0.46 -1.22 115.15 120.26 1nf4 h HIS 59 Ca 0.12 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1nf4 h HIS 59 Cb 0.62 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 1nf4 h HIS 59 CO 0.03 0.75 0.53 0.00 0.86 0.00 0.00 177.93 180.10 1nf4 h ALA 60 N 0.99 1.03 -0.36 2.45 0.00 -0.03 -1.70 119.26 121.64 1nf4 h ALA 60 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nf4 h ALA 60 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nf4 h ALA 60 CO 0.00 0.46 0.11 1.49 0.00 0.00 0.00 179.25 181.31 1nf4 h GLU 61 N 1.11 0.55 -0.68 0.00 4.81 -0.83 -2.00 114.58 117.54 1nf4 h GLU 61 Ca 0.30 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1nf4 h GLU 61 Cb -0.11 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1nf4 h GLU 61 CO -0.06 0.58 0.14 -0.91 -0.73 0.00 0.00 179.01 178.03 1nf4 h ASN 62 N 0.42 1.05 -0.76 1.04 4.21 -0.98 -0.72 115.58 119.85 1nf4 h ASN 62 Ca 0.11 -0.25 -0.03 0.00 1.21 0.00 0.00 56.30 57.35 1nf4 h ASN 62 Cb 0.26 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.15 1nf4 h ASN 62 CO -0.00 1.03 0.35 -0.26 -1.29 0.00 0.00 177.43 177.25 1nf4 h PHE 63 N 1.03 1.12 -0.46 1.19 0.05 -1.28 -2.00 116.94 116.59 1nf4 h PHE 63 Ca 0.21 -0.06 -0.11 0.00 3.82 0.00 0.00 57.97 61.83 1nf4 h PHE 63 Cb 0.40 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 1nf4 h PHE 63 CO 0.03 0.83 -0.14 0.00 -0.18 0.00 0.00 178.31 178.85 1nf4 h ALA 64 N 1.18 0.88 -0.51 2.45 0.00 -0.98 -1.40 119.26 120.88 1nf4 h ALA 64 Ca 0.26 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nf4 h ALA 64 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nf4 h ALA 64 CO -0.03 0.63 -0.08 0.93 0.00 0.00 0.00 179.25 180.71 1nf4 h GLU 65 N 0.77 0.93 -0.37 0.00 5.08 -0.87 -0.84 114.58 119.28 1nf4 h GLU 65 Ca 0.12 -0.31 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1nf4 h GLU 65 Cb 0.66 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1nf4 h GLU 65 CO 0.05 0.97 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.53 1nf4 h ARG 66 N 0.84 0.90 -0.81 2.33 9.65 -1.31 -1.51 114.38 124.47 1nf4 h ARG 66 Ca 0.14 -0.48 0.07 0.00 -1.10 0.00 0.00 59.98 58.61 1nf4 h ARG 66 Cb 0.60 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.14 1nf4 h ARG 66 CO 0.04 1.13 0.49 0.82 2.80 0.00 0.00 179.97 185.25 1nf4 h ILE 67 N 0.73 1.01 -0.60 1.20 2.04 -1.01 -1.86 117.51 119.03 1nf4 h ILE 67 Ca 0.06 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1nf4 h ILE 67 Cb 0.99 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1nf4 h ILE 67 CO 0.10 0.16 0.13 0.11 0.00 0.00 0.00 178.15 178.65 1nf4 h LYS 68 N 0.89 0.97 -0.10 2.37 1.79 -0.90 0.96 116.57 122.54 1nf4 h LYS 68 Ca 0.36 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1nf4 h LYS 68 Cb 0.20 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1nf4 h LYS 68 CO -0.18 0.90 -0.04 0.93 -1.08 0.00 0.00 179.45 179.97 1nf4 h GLU 69 N 0.87 0.14 -0.08 3.15 5.08 -0.73 -1.82 114.58 121.20 1nf4 h GLU 69 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nf4 h GLU 69 Cb 0.38 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1nf4 h GLU 69 CO 0.01 0.19 0.00 1.28 -1.00 0.00 0.00 179.01 179.49 1nf4 n LEU 70 N -4.41 1.57 0.00 1.33 4.77 -0.75 -4.93 117.00 114.58 1nf4 n LEU 70 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1nf4 n LEU 70 Cb 0.17 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1nf4 n LEU 70 CO 0.36 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nf4 n GLY 71 N 1.16 0.61 0.40 -0.72 0.00 -0.68 -4.90 105.19 101.06 1nf4 n GLY 71 Ca 0.18 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.63 2.68 3.07 -0.02 0.00 0.29 -5.00 105.19 103.58 1nf4 n GLY 72 Ca 0.00 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.25 2.53 0.11 1.61 2.56 -1.26 -4.25 118.70 117.75 1nf4 s GLU 73 Ca 0.04 -0.66 -0.31 0.00 0.00 0.00 0.00 54.97 54.04 1nf4 s GLU 73 Cb -0.00 -2.20 -0.09 0.00 2.00 0.00 0.00 34.13 33.83 1nf4 s GLU 73 CO 0.03 -0.16 1.63 -2.14 -0.56 0.00 0.00 175.26 174.05 1nf4 s PRO 74 N 1.23 4.20 0.76 4.30 0.02 -1.26 -4.99 135.00 139.27 1nf4 s PRO 74 Ca 0.01 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 1nf4 s PRO 74 Cb -0.14 -3.42 0.05 0.00 0.02 0.00 0.00 34.50 31.02 1nf4 s PRO 74 CO -0.08 -0.69 1.13 -0.08 -0.33 0.00 0.00 177.00 176.96 1nf4 s THR 75 N 2.04 2.85 -0.07 0.99 -1.32 -1.26 -4.97 115.64 113.89 1nf4 s THR 75 Ca 0.73 0.34 0.11 0.00 -1.21 0.00 0.00 61.69 61.65 1nf4 s THR 75 Cb -0.42 -2.76 0.16 0.00 -1.51 0.00 0.00 72.50 67.97 1nf4 s THR 75 CO 0.32 -0.30 1.08 0.35 -2.21 0.00 0.00 174.62 173.85 1nf4 n THR 76 N -3.18 1.06 -5.08 5.08 -2.24 -1.26 -4.92 114.28 103.74 1nf4 n THR 76 Ca 0.11 -1.27 -0.32 0.00 -2.27 0.00 0.00 64.05 60.29 1nf4 n THR 76 Cb 0.52 0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.61 2.64 0.35 -0.78 -1.52 -1.26 -5.11 119.66 112.36 1nf4 s GLN 77 Ca 0.18 -0.81 -0.21 0.00 -1.95 0.00 0.00 55.36 52.56 1nf4 s GLN 77 Cb 0.15 -2.29 -0.10 0.00 -0.22 0.00 0.00 33.01 30.55 1nf4 s GLN 77 CO 0.02 0.44 0.88 -1.59 -0.25 0.00 0.00 175.29 174.79 1nf4 s LYS 78 N -0.28 4.31 0.10 2.91 -2.85 -1.26 -4.53 119.74 118.13 1nf4 s LYS 78 Ca 0.01 1.07 -0.26 0.00 -1.00 0.00 0.00 55.97 55.79 1nf4 s LYS 78 Cb -0.13 -2.51 -0.06 0.00 -2.06 0.00 0.00 37.83 33.06 1nf4 s LYS 78 CO 0.03 0.16 0.81 -2.00 0.10 0.00 0.00 175.35 174.44 1nf4 s GLU 79 N -2.63 4.57 1.13 1.78 2.56 -0.65 -4.91 118.70 120.56 1nf4 s GLU 79 Ca 0.54 1.18 0.00 0.00 0.00 0.00 0.00 54.97 56.70 1nf4 s GLU 79 Cb -0.13 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.67 1nf4 s GLU 79 CO 0.18 0.38 0.00 0.41 -0.56 0.00 0.00 175.26 175.67 1nf4 n GLY 80 N 2.07 -1.51 3.61 -1.50 0.00 -1.26 -4.62 105.19 101.97 1nf4 n GLY 80 Ca -0.03 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.88 2.35 0.09 1.61 1.02 -1.26 -5.01 119.74 117.66 1nf4 s LYS 81 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 1nf4 s LYS 81 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1nf4 s LYS 81 CO 0.00 0.54 0.92 0.08 -0.92 0.00 0.00 175.35 175.97 1nf4 s VAL 82 N -1.17 4.58 -0.24 3.17 1.01 -1.26 -5.04 120.40 121.44 1nf4 s VAL 82 Ca 0.21 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 64.05 1nf4 s VAL 82 Cb -0.11 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1nf4 s VAL 82 CO 0.13 0.32 0.23 -0.69 0.00 0.00 0.00 175.10 175.09 1nf4 s VAL 83 N 0.06 5.30 0.52 2.92 1.01 -1.26 -5.08 120.40 123.87 1nf4 s VAL 83 Ca 0.45 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.83 1nf4 s VAL 83 Cb -0.23 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1nf4 s VAL 83 CO 0.28 0.29 0.57 0.42 0.00 0.00 0.00 175.10 176.66 1nf4 s THR 84 N 1.34 2.18 -1.17 3.92 -4.23 -1.26 -4.56 115.64 111.87 1nf4 s THR 84 Ca 0.10 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1nf4 s THR 84 Cb -0.14 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1nf4 s THR 84 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1nf4 n GLY 85 N -1.93 1.05 3.77 3.99 0.00 -1.26 -4.93 105.19 105.87 1nf4 n GLY 85 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.84 4.28 0.61 1.61 -0.21 -1.26 -5.01 119.66 116.83 1nf4 s GLN 86 Ca 0.00 2.03 -0.15 0.00 0.02 0.00 0.00 55.36 57.26 1nf4 s GLN 86 Cb 0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 1nf4 s GLN 86 CO 0.00 -0.19 1.06 0.00 -2.12 0.00 0.00 175.29 174.05 1nf4 s ALA 87 N -1.23 2.71 0.17 6.09 0.00 -1.26 -4.77 121.76 123.46 1nf4 s ALA 87 Ca 0.51 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1nf4 s ALA 87 Cb -0.36 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1nf4 s ALA 87 CO 0.47 -0.88 1.63 0.28 0.00 0.00 0.00 175.76 177.25 1nf4 h VAL 88 N 0.34 0.39 -0.51 0.00 2.07 -1.99 0.35 116.25 116.90 1nf4 h VAL 88 Ca -0.47 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nf4 h VAL 88 Cb 1.22 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1nf4 h VAL 88 CO 0.57 0.00 0.34 -0.65 0.02 0.00 0.00 177.57 177.85 1nf4 h PRO 89 N -0.14 0.61 -0.17 1.57 0.11 -1.99 -1.68 132.00 130.31 1nf4 h PRO 89 Ca 0.19 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.11 1nf4 h PRO 89 Cb 0.44 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1nf4 h PRO 89 CO -0.49 0.41 -0.56 0.28 -0.21 0.00 0.00 178.00 177.43 1nf4 h VAL 90 N 0.63 1.33 -0.03 3.15 2.07 -1.27 -2.77 116.25 119.36 1nf4 h VAL 90 Ca 0.20 -1.82 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1nf4 h VAL 90 Cb 0.02 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1nf4 h VAL 90 CO -0.05 0.56 -0.12 0.40 0.02 0.00 0.00 177.57 178.38 1nf4 h ILE 91 N 0.39 0.69 0.00 4.57 2.04 0.54 -0.22 117.51 125.52 1nf4 h ILE 91 Ca 0.01 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1nf4 h ILE 91 Cb 1.09 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1nf4 h ILE 91 CO 0.10 0.00 -0.59 1.88 0.00 0.00 0.00 178.15 179.54 1nf4 h TYR 92 N -0.19 0.00 -0.06 1.37 -1.99 -1.54 -0.67 116.97 113.89 1nf4 h TYR 92 Ca 0.06 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.65 1nf4 h TYR 92 Cb 0.26 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.00 1nf4 h TYR 92 CO -0.20 0.59 -0.49 1.49 -0.00 0.00 0.00 178.16 179.55 1nf4 h GLU 93 N 0.00 0.43 -0.46 4.88 4.81 -1.40 -1.93 114.58 120.91 1nf4 h GLU 93 Ca -0.01 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.71 1nf4 h GLU 93 Cb 1.28 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1nf4 h GLU 93 CO 0.08 1.04 -0.21 0.66 -0.73 0.00 0.00 179.01 179.84 1nf4 h SER 94 N -0.03 0.99 -0.70 1.04 4.64 -1.02 -2.08 113.55 116.39 1nf4 h SER 94 Ca -0.05 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1nf4 h SER 94 Cb 1.16 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1nf4 h SER 94 CO 0.10 1.17 0.30 0.44 -0.87 0.00 0.00 176.83 177.97 1nf4 h ASP 95 N 0.81 0.96 -0.72 4.97 3.32 -1.16 0.26 116.42 124.85 1nf4 h ASP 95 Ca 0.10 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1nf4 h ASP 95 Cb 0.79 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1nf4 h ASP 95 CO 0.07 0.85 0.20 0.00 -1.72 0.00 0.00 179.24 178.63 1nf4 h ALA 96 N 1.29 0.98 -0.74 3.45 0.00 -1.26 0.05 119.26 123.03 1nf4 h ALA 96 Ca 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 96 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1nf4 h ALA 96 CO -0.02 0.67 0.37 -0.44 0.00 0.00 0.00 179.25 179.82 1nf4 h ASP 97 N 1.09 0.96 -0.21 0.00 3.32 -0.57 -1.87 116.42 119.15 1nf4 h ASP 97 Ca 0.23 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 1nf4 h ASP 97 Cb 0.34 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nf4 h ASP 97 CO -0.00 0.82 -0.51 -0.61 -1.72 0.00 0.00 179.24 177.21 1nf4 h GLN 98 N 1.04 0.79 -0.50 3.56 4.15 -0.11 -1.21 115.11 122.82 1nf4 h GLN 98 Ca 0.26 -0.48 -0.06 0.00 0.77 0.00 0.00 58.65 59.13 1nf4 h GLN 98 Cb 0.10 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1nf4 h GLN 98 CO -0.03 1.11 0.06 0.93 -1.93 0.00 0.00 178.83 178.97 1nf4 h GLU 99 N 0.62 0.79 -0.18 1.69 4.39 -0.89 0.75 114.58 121.74 1nf4 h GLU 99 Ca 0.02 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1nf4 h GLU 99 Cb 1.10 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1nf4 h GLU 99 CO 0.11 0.76 0.02 0.22 -1.16 0.00 0.00 179.01 178.96 1nf4 h ASP 100 N 0.75 0.30 -0.89 1.42 1.82 -1.11 -0.57 116.42 118.14 1nf4 h ASP 100 Ca 0.16 -0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1nf4 h ASP 100 Cb 0.37 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.26 1nf4 h ASP 100 CO 0.01 0.49 0.50 0.00 -1.61 0.00 0.00 179.24 178.63 1nf4 h ALA 101 N 0.81 1.19 -0.44 -0.78 0.00 -1.15 -1.98 119.26 116.91 1nf4 h ALA 101 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nf4 h ALA 101 Cb 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nf4 h ALA 101 CO 0.00 0.66 0.27 1.15 0.00 0.00 0.00 179.25 181.33 1nf4 h THR 102 N 1.25 1.14 -0.13 0.00 2.02 -0.46 -0.53 112.91 116.20 1nf4 h THR 102 Ca 0.32 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1nf4 h THR 102 Cb 0.02 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1nf4 h THR 102 CO -0.05 0.14 -0.30 0.40 0.37 0.00 0.00 175.52 176.07 1nf4 h ILE 103 N 0.59 1.26 0.06 3.11 2.04 -0.89 0.86 117.51 124.53 1nf4 h ILE 103 Ca 0.16 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1nf4 h ILE 103 Cb -0.01 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1nf4 h ILE 103 CO -0.03 0.38 -0.03 -0.33 0.00 0.00 0.00 178.15 178.14 1nf4 h GLU 104 N 0.21 -0.07 -0.33 2.37 4.39 -0.93 -1.98 114.58 118.24 1nf4 h GLU 104 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1nf4 h GLU 104 Cb 0.65 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1nf4 h GLU 104 CO 0.05 0.15 0.17 0.00 -1.16 0.00 0.00 179.01 178.22 1nf4 h ALA 105 N 0.64 0.43 0.00 3.43 0.00 -0.80 -2.57 119.26 120.39 1nf4 h ALA 105 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 105 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nf4 h ALA 105 CO 0.01 -0.03 -0.13 1.88 0.00 0.00 0.00 179.25 180.99 1nf4 h TYR 106 N 0.41 0.00 -0.10 0.00 -1.99 -0.86 -0.15 116.97 114.28 1nf4 h TYR 106 Ca 0.12 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 1nf4 h TYR 106 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1nf4 h TYR 106 CO -0.02 0.13 -0.45 0.77 -0.00 0.00 0.00 178.16 178.58 1nf4 h SER 107 N 0.00 0.25 -0.19 3.88 0.02 -0.97 0.98 113.55 117.52 1nf4 h SER 107 Ca -0.00 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1nf4 h SER 107 Cb 0.22 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1nf4 h SER 107 CO 0.02 0.67 -0.24 1.56 -1.14 0.00 0.00 176.83 177.70 1nf4 h GLN 108 N 0.20 0.50 -0.91 3.45 1.08 -0.96 -2.42 115.11 116.04 1nf4 h GLN 108 Ca 0.01 -0.28 0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1nf4 h GLN 108 Cb 0.88 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.25 1nf4 h GLN 108 CO 0.07 0.87 0.55 0.74 -0.95 0.00 0.00 178.83 180.11 1nf4 h PHE 109 N 0.16 1.01 -0.99 2.96 0.05 -0.81 0.04 116.94 119.36 1nf4 h PHE 109 Ca 0.02 0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.89 1nf4 h PHE 109 Cb 0.80 -0.32 -0.06 0.00 2.00 0.00 0.00 35.95 38.37 1nf4 h PHE 109 CO 0.08 0.45 0.65 1.25 -0.18 0.00 0.00 178.31 180.56 1nf4 h LEU 110 N 0.94 1.07 -0.27 1.54 6.46 -0.71 -1.49 115.31 122.84 1nf4 h LEU 110 Ca 0.43 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.24 1nf4 h LEU 110 Cb 0.33 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 1nf4 h LEU 110 CO -0.23 0.73 -0.08 0.50 -0.62 0.00 0.00 178.44 178.74 1nf4 h LYS 111 N 1.24 -0.02 -0.35 1.25 3.64 -0.50 -2.07 116.57 119.76 1nf4 h LYS 111 Ca 0.40 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1nf4 h LYS 111 Cb 0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1nf4 h LYS 111 CO -0.13 -0.01 0.18 0.28 -2.27 0.00 0.00 179.45 177.49 1nf4 h VAL 112 N -0.02 1.15 -0.75 2.00 2.07 -0.64 -0.43 116.25 119.64 1nf4 h VAL 112 Ca 0.13 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1nf4 h VAL 112 Cb 0.22 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 1nf4 h VAL 112 CO -0.29 0.16 0.34 0.00 0.02 0.00 0.00 177.57 177.79 1nf4 h LYS 114 N 0.52 0.91 0.00 0.00 1.57 -0.87 0.14 116.57 118.83 1nf4 h LYS 114 Ca 0.39 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1nf4 h LYS 114 Cb 0.53 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1nf4 h LYS 114 CO -0.35 1.07 -0.16 0.93 -0.57 0.00 0.00 179.45 180.37 1nf4 h GLU 115 N 0.77 0.00 -0.62 3.15 5.08 0.34 -2.02 114.58 121.27 1nf4 h GLU 115 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nf4 h GLU 115 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1nf4 h GLU 115 CO 0.07 0.16 0.00 1.04 -1.00 0.00 0.00 179.01 179.29 1nf4 n GLN 116 N -4.26 3.07 -3.39 2.33 1.13 0.18 -4.92 117.38 111.51 1nf4 n GLN 116 Ca -0.02 -2.09 -0.24 0.00 -1.94 0.00 0.00 57.00 52.70 1nf4 n GLN 116 Cb 0.23 -1.75 0.04 0.00 0.11 0.00 0.00 30.24 28.87 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 0.87 -0.52 3.12 1.08 0.00 -0.76 -4.88 105.19 104.10 1nf4 n GLY 117 Ca 0.19 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.98 5.48 0.18 1.61 -1.08 0.43 -4.93 116.67 115.38 1nf4 s ASP 118 Ca 0.46 -2.94 -0.08 0.00 -0.52 0.00 0.00 52.55 49.47 1nf4 s ASP 118 Cb -0.22 -1.90 0.07 0.00 -1.46 0.00 0.00 42.92 39.41 1nf4 s ASP 118 CO 0.57 -0.37 1.57 0.40 0.52 0.00 0.00 175.17 177.86 1nf4 h ILE 119 N 5.07 1.27 -0.56 4.11 1.08 -1.93 -1.66 117.51 124.90 1nf4 h ILE 119 Ca 0.02 -1.39 -0.07 0.00 -0.39 0.00 0.00 64.86 63.02 1nf4 h ILE 119 Cb 0.95 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1nf4 h ILE 119 CO 0.73 0.47 0.07 0.58 -0.69 0.00 0.00 178.15 179.31 1nf4 h VAL 120 N 0.78 1.26 -0.09 1.67 2.07 -1.97 -1.53 116.25 118.44 1nf4 h VAL 120 Ca 0.10 -1.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 1nf4 h VAL 120 Cb 0.80 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1nf4 h VAL 120 CO 0.07 0.36 -0.71 0.74 0.02 0.00 0.00 177.57 178.05 1nf4 h THR 121 N 0.83 1.36 -0.77 2.57 2.02 -1.95 -2.36 112.91 114.62 1nf4 h THR 121 Ca 0.17 -2.09 0.04 0.00 0.77 0.00 0.00 66.41 65.29 1nf4 h THR 121 Cb 0.44 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.87 1nf4 h THR 121 CO 0.01 0.63 0.48 0.00 0.37 0.00 0.00 175.52 177.02 1nf4 h ALA 122 N 0.91 1.02 -0.46 6.16 0.00 -1.13 -1.79 119.26 123.97 1nf4 h ALA 122 Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1nf4 h ALA 122 Cb 1.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1nf4 h ALA 122 CO 0.13 0.26 -0.16 -0.09 0.00 0.00 0.00 179.25 179.39 1nf4 h ARG 123 N 0.93 0.88 -0.30 0.00 9.65 -1.15 -1.45 114.38 122.95 1nf4 h ARG 123 Ca 0.31 -0.33 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 1nf4 h ARG 123 Cb 0.05 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.52 1nf4 h ARG 123 CO -0.13 0.98 -0.05 1.25 2.80 0.00 0.00 179.97 184.82 1nf4 h LEU 124 N 0.78 -0.23 -0.84 3.80 5.85 -1.03 -0.45 115.31 123.19 1nf4 h LEU 124 Ca 0.12 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1nf4 h LEU 124 Cb 0.69 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1nf4 h LEU 124 CO 0.05 -0.08 0.10 -0.26 -0.34 0.00 0.00 178.44 177.91 1nf4 h PHE 125 N 0.02 1.02 -0.18 1.25 -1.00 -0.96 -1.57 116.94 115.52 1nf4 h PHE 125 Ca 0.14 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1nf4 h PHE 125 Cb 0.21 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 1nf4 h PHE 125 CO -0.27 0.86 0.06 1.49 -1.61 0.00 0.00 178.31 178.84 1nf4 h GLU 126 N 0.91 0.14 -0.67 1.51 4.81 -0.89 0.25 114.58 120.64 1nf4 h GLU 126 Ca 0.19 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1nf4 h GLU 126 Cb 0.40 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1nf4 h GLU 126 CO 0.01 0.09 0.43 0.00 -0.73 0.00 0.00 179.01 178.81 1nf4 h ARG 127 N 0.14 0.85 -0.03 1.92 3.08 -0.93 -2.58 114.38 116.82 1nf4 h ARG 127 Ca 0.08 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 1nf4 h ARG 127 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1nf4 h ARG 127 CO -0.09 0.56 -0.74 0.82 -1.07 0.00 0.00 179.97 179.45 1nf4 h ILE 128 N 0.87 1.44 -0.79 2.04 2.04 -0.88 -2.88 117.51 119.35 1nf4 h ILE 128 Ca 0.26 -2.31 -0.03 0.00 1.00 0.00 0.00 64.86 63.78 1nf4 h ILE 128 Cb -0.05 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1nf4 h ILE 128 CO -0.08 0.68 0.36 0.40 0.00 0.00 0.00 178.15 179.51 1nf4 h ILE 129 N 0.13 1.25 -0.42 -0.67 2.04 -0.34 -0.16 117.51 119.34 1nf4 h ILE 129 Ca -0.02 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1nf4 h ILE 129 Cb 1.30 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1nf4 h ILE 129 CO 0.11 0.30 0.10 -0.33 0.00 0.00 0.00 178.15 178.34 1nf4 h GLU 130 N 1.12 0.62 -0.18 2.37 5.08 -1.30 -1.25 114.58 121.05 1nf4 h GLU 130 Ca 0.27 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 1nf4 h GLU 130 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1nf4 h GLU 130 CO -0.03 0.57 -0.70 0.93 -1.00 0.00 0.00 179.01 178.77 1nf4 h GLU 131 N 0.60 0.74 -0.86 2.33 5.08 -1.13 -2.83 114.58 118.51 1nf4 h GLU 131 Ca 0.14 -0.56 0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1nf4 h GLU 131 Cb 0.23 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1nf4 h GLU 131 CO -0.00 1.17 0.56 0.93 -1.00 0.00 0.00 179.01 180.68 1nf4 h GLU 132 N 0.52 0.97 -0.73 2.33 4.39 -0.73 -1.35 114.58 119.98 1nf4 h GLU 132 Ca -0.03 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1nf4 h GLU 132 Cb 1.31 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 1nf4 h GLU 132 CO 0.14 0.64 0.45 0.37 -1.16 0.00 0.00 179.01 179.45 1nf4 h GLN 133 N 1.00 0.98 -0.40 2.33 5.75 -1.12 0.72 115.11 124.37 1nf4 h GLN 133 Ca 0.36 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.66 1nf4 h GLN 133 Cb 0.16 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1nf4 h GLN 133 CO -0.13 0.68 -0.23 0.00 -2.65 0.00 0.00 178.83 176.51 1nf4 h ALA 134 N 1.49 0.84 -0.29 3.38 0.00 -1.03 -2.04 119.26 121.60 1nf4 h ALA 134 Ca 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 134 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nf4 h ALA 134 CO -0.05 0.64 0.11 0.45 0.00 0.00 0.00 179.25 180.40 1nf4 h HIS 135 N 0.71 0.45 -0.34 0.00 3.86 -0.40 -1.82 115.15 117.60 1nf4 h HIS 135 Ca 0.10 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1nf4 h HIS 135 Cb 0.75 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 1nf4 h HIS 135 CO 0.04 0.44 -0.03 1.25 0.86 0.00 0.00 177.93 180.49 1nf4 h LEU 136 N 0.32 -0.20 -0.77 2.43 5.85 -0.75 0.06 115.31 122.25 1nf4 h LEU 136 Ca 0.10 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1nf4 h LEU 136 Cb 0.19 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1nf4 h LEU 136 CO -0.01 -0.06 0.48 0.74 -0.34 0.00 0.00 178.44 179.26 1nf4 h THR 137 N 0.06 1.21 0.04 1.05 2.02 -1.32 0.55 112.91 116.52 1nf4 h THR 137 Ca 0.16 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1nf4 h THR 137 Cb 0.23 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1nf4 h THR 137 CO -0.30 0.21 -0.20 0.22 0.37 0.00 0.00 175.52 175.82 1nf4 h TYR 138 N 1.05 -0.51 -0.20 3.16 3.20 -0.46 -0.55 116.97 122.65 1nf4 h TYR 138 Ca 0.28 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 1nf4 h TYR 138 Cb -0.08 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1nf4 h TYR 138 CO -0.01 -0.28 -0.39 1.88 -1.64 0.00 0.00 178.16 177.72 1nf4 h TYR 139 N -0.34 0.54 0.05 -3.82 0.99 -0.53 -2.33 116.97 111.53 1nf4 h TYR 139 Ca 0.05 -0.15 0.01 0.00 2.00 0.00 0.00 58.73 60.63 1nf4 h TYR 139 Cb 0.39 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 1nf4 h TYR 139 CO -0.22 0.78 -0.07 0.93 -0.00 0.00 0.00 178.16 179.58 1nf4 h GLU 140 N 0.38 -0.14 -0.23 4.88 5.08 -0.73 -0.97 114.58 122.85 1nf4 h GLU 140 Ca 0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1nf4 h GLU 140 Cb 0.85 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1nf4 h GLU 140 CO 0.07 -0.09 0.05 -0.91 -1.00 0.00 0.00 179.01 177.13 1nf4 h ASN 141 N -0.14 0.03 -0.45 1.42 2.35 -0.86 0.32 115.58 118.25 1nf4 h ASN 141 Ca 0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1nf4 h ASN 141 Cb 0.15 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1nf4 h ASN 141 CO -0.04 0.05 0.28 0.40 -1.65 0.00 0.00 177.43 176.48 1nf4 h ILE 142 N 0.15 1.13 -0.89 2.81 1.08 -1.35 -0.20 117.51 120.24 1nf4 h ILE 142 Ca 0.10 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1nf4 h ILE 142 Cb 0.09 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 1nf4 h ILE 142 CO -0.13 0.13 0.59 1.23 -0.69 0.00 0.00 178.15 179.27 1nf4 h GLY 143 N 0.60 1.27 1.39 5.37 0.00 -0.75 0.99 103.07 111.94 1nf4 h GLY 143 Ca 0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1nf4 h GLY 143 CO -0.03 0.40 -0.31 0.23 0.00 0.00 0.00 176.54 176.83 1nf4 h SER 144 N 1.14 0.71 -0.29 0.19 0.87 0.57 -1.57 113.55 115.17 1nf4 h SER 144 Ca 0.35 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 1nf4 h SER 144 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1nf4 h SER 144 CO -0.10 0.98 -0.40 0.45 -0.53 0.00 0.00 176.83 177.23 1nf4 h HIS 145 N 0.59 1.01 -0.55 2.24 -0.00 -0.23 -2.12 115.15 116.09 1nf4 h HIS 145 Ca 0.07 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 1nf4 h HIS 145 Cb 0.82 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 1nf4 h HIS 145 CO 0.04 1.10 0.36 0.82 -0.00 0.00 0.00 177.93 180.25 1nf4 h ILE 146 N 0.68 1.14 -0.28 2.45 2.04 -0.61 -0.06 117.51 122.88 1nf4 h ILE 146 Ca 0.05 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1nf4 h ILE 146 Cb 0.97 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1nf4 h ILE 146 CO 0.09 0.14 -0.06 0.11 0.00 0.00 0.00 178.15 178.44 1nf4 h LYS 147 N 0.74 0.54 0.04 2.37 1.57 -1.23 -1.02 116.57 119.58 1nf4 h LYS 147 Ca 0.20 -0.20 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1nf4 h LYS 147 Cb -0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1nf4 h LYS 147 CO -0.04 0.73 -1.27 -0.91 -0.57 0.00 0.00 179.45 177.39 1nf4 h ASN 148 N 0.30 0.14 0.00 0.86 2.35 -1.31 -3.39 115.58 114.53 1nf4 h ASN 148 Ca 0.07 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1nf4 h ASN 148 Cb 0.53 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1nf4 h ASN 148 CO 0.03 1.14 -0.57 0.18 -1.65 0.00 0.00 177.43 176.56 1nf4 n LEU 149 N -3.34 0.04 0.00 1.61 4.77 -0.04 -5.08 117.00 114.95 1nf4 n LEU 149 Ca -0.07 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1nf4 n LEU 149 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1nf4 n LEU 149 CO 0.48 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nf4 n GLY 150 N 1.72 3.93 0.19 -0.72 0.00 -0.39 -2.66 105.19 107.26 1nf4 n GLY 150 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.84 1.61 3.32 -1.93 -2.97 116.42 117.28 1nf4 h ASP 151 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1nf4 h ASP 151 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1nf4 h ASP 151 CO 0.00 0.00 -0.36 0.74 -1.72 0.00 0.00 179.24 177.90 1nf4 h THR 152 N 0.00 0.86 0.00 0.35 2.02 -1.92 -1.29 112.91 112.92 1nf4 h THR 152 Ca 0.00 -1.47 -0.10 0.00 0.77 0.00 0.00 66.41 65.61 1nf4 h THR 152 Cb 0.80 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1nf4 h THR 152 CO 0.00 0.35 -0.40 0.22 0.37 0.00 0.00 175.52 176.07 1nf4 h TYR 153 N 0.00 0.40 -0.34 3.16 3.20 -1.65 -3.35 116.97 118.39 1nf4 h TYR 153 Ca -0.00 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 61.59 1nf4 h TYR 153 Cb 0.87 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1nf4 h TYR 153 CO 0.00 1.03 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.44 1nf4 h LEU 154 N -0.35 0.52 -2.40 2.82 3.38 -1.44 -2.28 115.31 115.56 1nf4 h LEU 154 Ca -0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1nf4 h LEU 154 Cb 1.14 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1nf4 h LEU 154 CO 0.08 0.61 0.10 0.00 0.09 0.00 0.00 178.44 179.32 1nf4 h ALA 155 N 1.45 1.58 0.02 1.53 0.00 -1.36 -0.06 119.26 122.42 1nf4 h ALA 155 Ca 0.11 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 155 Cb 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nf4 h ALA 155 CO 0.02 -0.14 -1.11 -0.22 0.00 0.00 0.00 179.25 177.79 1nf4 h LYS 156 N 0.00 0.05 0.00 0.00 3.64 -1.55 -3.30 116.57 115.41 1nf4 h LYS 156 Ca 0.04 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1nf4 h LYS 156 Cb 0.24 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1nf4 h LYS 156 CO -0.00 0.99 -0.90 0.82 -2.27 0.00 0.00 179.45 178.10 1nf4 h ILE 157 N 0.01 1.58 -1.84 2.00 1.08 -1.05 -3.44 117.51 115.85 1nf4 h ILE 157 Ca -0.06 -3.13 -0.66 0.00 -0.39 0.00 0.00 64.86 60.61 1nf4 h ILE 157 Cb 1.83 2.72 0.04 0.00 -3.07 0.00 0.00 36.82 38.33 1nf4 h ILE 157 CO 0.14 0.88 0.77 0.00 -0.69 0.00 0.00 178.15 179.24 1nf4 n ALA 158 N -2.34 0.08 -0.73 1.87 0.00 -0.61 -1.30 120.51 117.47 1nf4 n ALA 158 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1nf4 n ALA 158 Cb 0.88 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 3.51 1.41 3.75 0.00 0.00 -0.91 -4.98 105.19 107.97 1nf4 n GLY 159 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.68 3.08 0.64 2.61 -4.23 -0.42 -4.91 115.64 108.72 1nf4 s THR 160 Ca 0.00 0.35 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 1nf4 s THR 160 Cb 0.00 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1nf4 s THR 160 CO 0.00 -0.46 1.27 -2.84 -0.54 0.00 0.00 174.62 172.05 1nf4 s PRO 161 N -4.89 2.63 0.00 3.99 0.02 -1.26 -3.67 135.00 131.83 1nf4 s PRO 161 Ca 0.62 2.01 0.10 0.00 0.02 0.00 0.00 61.00 63.75 1nf4 s PRO 161 Cb -0.18 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.48 1nf4 s PRO 161 CO 0.56 -1.52 0.65 -1.13 -0.33 0.00 0.00 177.00 175.23 1nf4 n SER 162 N -1.85 1.25 -4.76 2.53 3.41 -1.26 -2.78 113.62 110.15 1nf4 n SER 162 Ca 0.15 -1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 57.23 1nf4 n SER 162 Cb 0.48 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.89 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 -1.39 6.39 0.00 4.04 0.15 -1.26 -4.11 113.70 117.52 1nf4 s SER 163 Ca 0.09 2.96 0.17 0.00 0.70 0.00 0.00 55.95 59.87 1nf4 s SER 163 Cb 0.08 -2.65 0.33 0.00 -1.71 0.00 0.00 66.02 62.08 1nf4 s SER 163 CO 0.26 -0.87 1.25 0.35 1.20 0.00 0.00 173.24 175.42 1nf4 n THR 164 N 1.49 0.55 0.00 6.45 -2.24 -1.26 -4.92 114.28 114.36 1nf4 n THR 164 Ca 0.05 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1nf4 n THR 164 Cb 0.38 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.05 0.52 3.76 3.38 0.00 -1.26 -5.04 105.19 107.61 1nf4 n GLY 165 Ca 0.15 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf4 s THR 166 N -0.64 2.38 0.74 2.61 -1.32 -1.26 -4.93 115.64 113.21 1nf4 s THR 166 Ca 0.00 0.32 -0.16 0.00 -1.21 0.00 0.00 61.69 60.65 1nf4 s THR 166 Cb 0.00 -3.18 -0.00 0.00 -1.51 0.00 0.00 72.50 67.81 1nf4 s THR 166 CO 0.00 0.03 0.82 0.00 -2.21 0.00 0.00 174.62 173.26 1nf4 n ALA 167 N -0.30 -0.74 -1.30 11.08 0.00 -1.26 -4.82 120.51 123.16 1nf4 n ALA 167 Ca 0.06 -0.23 -0.57 0.00 0.00 0.00 0.00 53.44 52.70 1nf4 n ALA 167 Cb 0.44 -2.03 -0.12 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.33 0.91 -4.66 0.00 3.41 -1.26 -4.89 113.62 105.79 1nf4 n SER 168 Ca 0.12 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.89 1nf4 n SER 168 Cb 0.50 -0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1nf4 n SER 168 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nf4 s LYS 169 N 6.33 4.19 0.00 4.33 -2.85 -1.26 -4.93 119.74 125.55 1nf4 s LYS 169 Ca 1.20 2.16 0.00 0.00 -1.00 0.00 0.00 55.97 58.33 1nf4 s LYS 169 Cb -1.38 -3.97 0.00 0.00 -2.06 0.00 0.00 37.83 30.42 1nf4 s LYS 169 CO 0.62 -0.84 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1nf4 n GLY 170 N 4.10 6.01 0.10 0.59 0.00 -1.26 -5.08 105.19 109.64 1nf4 n GLY 170 Ca 0.17 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 1nf4 n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nf4 h PHE 171 N 0.31 0.33 0.00 1.61 3.57 -2.06 -3.56 116.94 117.13 1nf4 h PHE 171 Ca 0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1nf4 h PHE 171 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1nf4 h PHE 171 CO 0.00 1.25 0.00 1.33 -2.23 0.00 0.00 178.31 178.66