#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 n ASN 4 N 0.00 0.00 -0.18 1.61 6.94 -1.26 -4.75 115.26 117.62 1nf4 n ASN 4 Ca 0.00 -1.15 -0.06 0.00 -0.02 0.00 0.00 54.58 53.35 1nf4 n ASN 4 Cb 0.00 -0.35 0.03 0.00 -2.36 0.00 0.00 39.78 37.11 1nf4 n ASN 4 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1nf4 h ARG 5 N 0.00 0.67 -0.15 -3.83 2.47 -2.01 -1.99 114.38 109.55 1nf4 h ARG 5 Ca -0.15 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1nf4 h ARG 5 Cb 0.40 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1nf4 h ARG 5 CO 0.10 0.44 0.07 0.93 0.56 0.00 0.00 179.97 182.08 1nf4 h GLU 6 N 0.69 0.21 -0.81 0.04 3.07 -2.00 -1.87 114.58 113.91 1nf4 h GLU 6 Ca 0.20 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1nf4 h GLU 6 Cb -0.04 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.78 1nf4 h GLU 6 CO -0.06 0.25 0.52 0.22 -1.40 0.00 0.00 179.01 178.54 1nf4 h ASP 7 N 0.12 0.87 -0.71 1.42 3.58 -1.88 -1.00 116.42 118.82 1nf4 h ASP 7 Ca 0.05 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1nf4 h ASP 7 Cb 0.11 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1nf4 h ASP 7 CO -0.01 0.60 0.33 0.03 -2.88 0.00 0.00 179.24 177.31 1nf4 h ARG 8 N 1.02 1.05 -0.22 0.28 3.08 -1.15 -1.37 114.38 117.08 1nf4 h ARG 8 Ca 0.32 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 1nf4 h ARG 8 Cb -0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1nf4 h ARG 8 CO -0.11 0.83 -0.48 0.87 -1.07 0.00 0.00 179.97 180.01 1nf4 h LYS 9 N 1.04 0.71 -0.73 0.04 1.57 -0.71 -3.08 116.57 115.40 1nf4 h LYS 9 Ca 0.25 -0.47 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1nf4 h LYS 9 Cb 0.14 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1nf4 h LYS 9 CO -0.03 1.10 0.22 0.00 -0.57 0.00 0.00 179.45 180.17 1nf4 h ALA 10 N 0.61 0.96 -0.26 3.86 0.00 -1.06 -0.40 119.26 122.97 1nf4 h ALA 10 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1nf4 h ALA 10 Cb 1.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nf4 h ALA 10 CO 0.11 0.66 -0.26 0.87 0.00 0.00 0.00 179.25 180.62 1nf4 h LYS 11 N 1.09 0.51 -0.14 0.00 1.57 -1.29 -2.51 116.57 115.80 1nf4 h LYS 11 Ca 0.24 -0.20 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 1nf4 h LYS 11 Cb 0.32 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1nf4 h LYS 11 CO -0.01 0.73 -0.78 0.28 -0.57 0.00 0.00 179.45 179.10 1nf4 h VAL 12 N 0.45 1.29 -0.77 0.50 2.07 -1.41 -2.99 116.25 115.38 1nf4 h VAL 12 Ca 0.06 -2.00 0.09 0.00 0.82 0.00 0.00 66.70 65.67 1nf4 h VAL 12 Cb 0.69 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 1nf4 h VAL 12 CO 0.05 0.63 0.51 0.40 0.02 0.00 0.00 177.57 179.18 1nf4 h ILE 13 N 0.51 0.97 -0.27 4.57 2.04 -1.00 0.05 117.51 124.37 1nf4 h ILE 13 Ca -0.05 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1nf4 h ILE 13 Cb 1.40 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1nf4 h ILE 13 CO 0.16 0.13 0.07 -0.08 0.00 0.00 0.00 178.15 178.43 1nf4 h GLU 14 N 0.74 0.44 -0.06 2.37 4.81 -1.31 0.24 114.58 121.81 1nf4 h GLU 14 Ca 0.35 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1nf4 h GLU 14 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1nf4 h GLU 14 CO -0.13 0.52 -0.64 -0.39 -0.73 0.00 0.00 179.01 177.64 1nf4 h VAL 15 N 0.27 1.41 -0.74 0.32 -1.51 -1.41 -1.60 116.25 112.99 1nf4 h VAL 15 Ca 0.09 -2.08 -0.01 0.00 -1.23 0.00 0.00 66.70 63.46 1nf4 h VAL 15 Cb 0.28 2.08 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1nf4 h VAL 15 CO 0.00 0.61 0.41 -0.07 -1.23 0.00 0.00 177.57 177.30 1nf4 h LEU 16 N 0.16 0.91 -0.74 4.19 3.38 -0.63 0.82 115.31 123.40 1nf4 h LEU 16 Ca -0.01 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1nf4 h LEU 16 Cb 1.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1nf4 h LEU 16 CO 0.10 0.74 -0.58 0.78 0.09 0.00 0.00 178.44 179.56 1nf4 h ASN 17 N 1.02 0.16 -0.30 -0.43 2.35 -0.42 0.10 115.58 118.07 1nf4 h ASN 17 Ca 0.26 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1nf4 h ASN 17 Cb 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1nf4 h ASN 17 CO -0.04 0.71 -0.14 0.11 -1.65 0.00 0.00 177.43 176.42 1nf4 h LYS 18 N 0.11 0.61 -0.31 0.81 1.57 -0.82 -0.55 116.57 117.99 1nf4 h LYS 18 Ca -0.00 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1nf4 h LYS 18 Cb 1.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1nf4 h LYS 18 CO 0.08 0.84 0.14 0.00 -0.57 0.00 0.00 179.45 179.94 1nf4 h ALA 19 N 0.76 0.37 -0.90 3.86 0.00 -0.72 -2.07 119.26 120.56 1nf4 h ALA 19 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nf4 h ALA 19 Cb 0.65 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1nf4 h ALA 19 CO 0.04 -0.25 0.59 -0.09 0.00 0.00 0.00 179.25 179.54 1nf4 h ARG 20 N 0.29 1.09 -0.02 0.00 2.43 -0.67 -1.34 114.38 116.16 1nf4 h ARG 20 Ca 0.13 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1nf4 h ARG 20 Cb 0.07 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1nf4 h ARG 20 CO -0.11 0.72 -0.30 0.00 -1.51 0.00 0.00 179.97 178.78 1nf4 h ALA 21 N 1.47 1.46 -0.15 2.80 0.00 -0.63 -1.30 119.26 122.91 1nf4 h ALA 21 Ca 0.36 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1nf4 h ALA 21 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nf4 h ALA 21 CO -0.11 0.40 -0.57 0.52 0.00 0.00 0.00 179.25 179.49 1nf4 h MET 22 N 0.04 0.48 -0.15 0.00 2.86 -0.60 -0.05 114.93 117.51 1nf4 h MET 22 Ca 0.00 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1nf4 h MET 22 Cb 0.55 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1nf4 h MET 22 CO 0.04 0.92 0.00 0.93 1.06 0.00 0.00 176.91 179.86 1nf4 h GLU 23 N 0.36 0.26 -0.80 1.72 4.39 -0.92 -1.42 114.58 118.18 1nf4 h GLU 23 Ca 0.00 -0.08 0.13 0.00 0.34 0.00 0.00 59.36 59.75 1nf4 h GLU 23 Cb 1.10 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 1nf4 h GLU 23 CO 0.10 0.48 0.40 -0.07 -1.16 0.00 0.00 179.01 178.77 1nf4 h LEU 24 N 0.00 0.50 -0.36 1.33 3.38 -1.27 0.69 115.31 119.58 1nf4 h LEU 24 Ca 0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nf4 h LEU 24 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1nf4 h LEU 24 CO 0.01 0.24 0.18 -0.74 0.09 0.00 0.00 178.44 178.21 1nf4 h HIS 25 N 0.62 0.51 -0.91 1.13 2.76 -1.26 -2.85 115.15 115.14 1nf4 h HIS 25 Ca 0.42 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1nf4 h HIS 25 Cb 0.55 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1nf4 h HIS 25 CO -0.10 0.43 0.59 0.00 -1.30 0.00 0.00 177.93 177.55 1nf4 h ALA 26 N 1.03 1.32 -0.12 5.26 0.00 -0.43 0.96 119.26 127.28 1nf4 h ALA 26 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nf4 h ALA 26 Cb 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1nf4 h ALA 26 CO -0.02 0.62 0.04 0.82 0.00 0.00 0.00 179.25 180.71 1nf4 h ILE 27 N 1.24 0.97 -0.40 0.00 2.04 -0.72 -0.64 117.51 120.00 1nf4 h ILE 27 Ca 0.33 -0.03 -0.15 0.00 1.00 0.00 0.00 64.86 66.01 1nf4 h ILE 27 Cb -0.12 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1nf4 h ILE 27 CO -0.07 0.02 -0.34 0.45 0.00 0.00 0.00 178.15 178.21 1nf4 h HIS 28 N 0.10 1.08 -0.01 1.37 3.86 -1.24 -1.49 115.15 118.82 1nf4 h HIS 28 Ca 0.05 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1nf4 h HIS 28 Cb 0.03 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1nf4 h HIS 28 CO -0.11 1.12 0.00 0.37 0.86 0.00 0.00 177.93 180.17 1nf4 h GLN 29 N 0.76 0.02 -0.51 2.45 5.75 -0.67 -1.18 115.11 121.71 1nf4 h GLN 29 Ca 0.07 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1nf4 h GLN 29 Cb 0.92 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1nf4 h GLN 29 CO 0.09 0.21 -0.08 1.88 -2.65 0.00 0.00 178.83 178.28 1nf4 h TYR 30 N -0.18 1.02 -0.18 3.99 0.99 -1.15 -1.99 116.97 119.46 1nf4 h TYR 30 Ca 0.00 -0.19 -0.11 0.00 2.00 0.00 0.00 58.73 60.44 1nf4 h TYR 30 Cb 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.66 1nf4 h TYR 30 CO -0.01 0.95 -0.35 0.52 -0.00 0.00 0.00 178.16 179.27 1nf4 h MET 31 N 0.83 0.39 -0.30 4.88 2.86 -1.24 0.36 114.93 122.72 1nf4 h MET 31 Ca 0.14 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1nf4 h MET 31 Cb 0.60 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1nf4 h MET 31 CO 0.04 0.69 0.18 -0.97 1.06 0.00 0.00 176.91 177.91 1nf4 h ASN 32 N 0.33 0.31 -0.24 1.22 -1.24 -0.89 -0.68 115.58 114.38 1nf4 h ASN 32 Ca 0.04 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1nf4 h ASN 32 Cb 0.78 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 1nf4 h ASN 32 CO 0.06 0.22 0.03 1.56 -1.29 0.00 0.00 177.43 178.02 1nf4 h GLN 33 N 0.38 0.51 -0.60 6.67 4.20 -0.91 -2.49 115.11 122.87 1nf4 h GLN 33 Ca 0.11 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1nf4 h GLN 33 Cb -0.02 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1nf4 h GLN 33 CO -0.04 0.51 0.21 1.25 -0.67 0.00 0.00 178.83 180.09 1nf4 h HIS 34 N 0.50 0.94 -0.70 2.96 2.76 -0.14 0.13 115.15 121.59 1nf4 h HIS 34 Ca 0.11 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1nf4 h HIS 34 Cb 0.28 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1nf4 h HIS 34 CO 0.01 0.77 0.42 1.88 -1.30 0.00 0.00 177.93 179.71 1nf4 h TYR 35 N 0.84 0.92 -0.04 5.26 0.99 -0.75 0.65 116.97 124.84 1nf4 h TYR 35 Ca 0.20 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.91 1nf4 h TYR 35 Cb 0.25 -0.30 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 1nf4 h TYR 35 CO 0.02 0.61 -0.05 0.77 -0.00 0.00 0.00 178.16 179.51 1nf4 h SER 36 N 0.97 0.11 -0.73 3.88 0.02 -1.02 -1.54 113.55 115.23 1nf4 h SER 36 Ca 0.25 -0.52 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1nf4 h SER 36 Cb -0.04 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1nf4 h SER 36 CO -0.05 0.61 0.48 -0.07 -1.14 0.00 0.00 176.83 176.66 1nf4 h LEU 37 N -0.38 0.78 -0.34 5.07 3.38 -0.49 0.22 115.31 123.53 1nf4 h LEU 37 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1nf4 h LEU 37 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1nf4 h LEU 37 CO 0.01 0.54 -0.22 0.44 0.09 0.00 0.00 178.44 179.30 1nf4 h ASP 38 N 0.90 0.79 -0.94 -0.43 3.32 -0.87 -0.93 116.42 118.26 1nf4 h ASP 38 Ca 0.29 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.94 1nf4 h ASP 38 Cb 0.03 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1nf4 h ASP 38 CO -0.08 1.05 0.62 -0.78 -1.72 0.00 0.00 179.24 178.33 1nf4 h ASP 39 N 0.53 1.04 0.93 6.45 3.58 -0.54 -0.75 116.42 127.66 1nf4 h ASP 39 Ca 0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1nf4 h ASP 39 Cb 0.78 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1nf4 h ASP 39 CO 0.06 0.73 0.00 0.23 -2.88 0.00 0.00 179.24 177.38 1nf4 n MET 40 N -4.43 0.04 -2.97 0.28 2.81 0.70 -4.92 117.12 108.63 1nf4 n MET 40 Ca 0.12 0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1nf4 n MET 40 Cb 0.07 -1.56 0.04 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.64 -3.55 -4.00 7.83 2.03 -0.29 -4.93 116.55 112.00 1nf4 n ASP 41 Ca 0.06 -0.30 -0.38 0.00 0.52 0.00 0.00 54.79 54.68 1nf4 n ASP 41 Cb 0.31 -2.93 -0.03 0.00 -0.72 0.00 0.00 41.12 37.74 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 -3.44 3.69 -0.01 -0.67 0.53 -0.47 -1.92 117.16 114.86 1nf4 n TYR 42 Ca -0.05 -3.61 -0.09 0.00 -1.02 0.00 0.00 57.90 53.14 1nf4 n TYR 42 Cb 0.55 -1.17 -0.03 0.00 -1.03 0.00 0.00 39.34 37.66 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 5.61 -0.08 1.25 2.72 0.00 -1.67 -0.41 103.07 110.48 1nf4 h GLY 43 Ca 0.18 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 1nf4 h GLY 43 CO 1.04 -0.16 0.15 -2.09 0.00 0.00 0.00 176.54 175.48 1nf4 h GLU 44 N -0.19 0.94 0.07 4.80 4.81 -1.75 0.32 114.58 123.58 1nf4 h GLU 44 Ca 0.11 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1nf4 h GLU 44 Cb 0.35 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1nf4 h GLU 44 CO -0.27 0.83 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.74 1nf4 h LEU 45 N 0.90 -0.08 -0.87 1.64 3.38 -1.79 -1.45 115.31 117.04 1nf4 h LEU 45 Ca 0.20 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1nf4 h LEU 45 Cb 0.31 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1nf4 h LEU 45 CO -0.00 0.07 0.56 0.00 0.09 0.00 0.00 178.44 179.15 1nf4 h ALA 46 N 0.70 1.16 -0.05 1.53 0.00 -0.71 -0.97 119.26 120.92 1nf4 h ALA 46 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 46 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nf4 h ALA 46 CO 0.02 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1nf4 h ALA 47 N 1.37 0.07 0.00 0.00 0.00 -0.20 -2.24 119.26 118.27 1nf4 h ALA 47 Ca 0.35 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 47 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nf4 h ALA 47 CO -0.13 -0.24 -0.26 -0.91 0.00 0.00 0.00 179.25 177.71 1nf4 h ASN 48 N -0.23 0.00 -0.25 0.00 2.35 -1.17 -1.12 115.58 115.16 1nf4 h ASN 48 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1nf4 h ASN 48 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1nf4 h ASN 48 CO 0.00 0.26 0.04 -0.03 -1.65 0.00 0.00 177.43 176.05 1nf4 h MET 49 N 0.00 0.42 -0.53 0.81 4.05 -0.96 -0.99 114.93 117.72 1nf4 h MET 49 Ca -0.00 -0.11 -0.09 0.00 -0.28 0.00 0.00 59.70 59.21 1nf4 h MET 49 Cb 0.56 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1nf4 h MET 49 CO 0.03 0.55 -0.03 -0.22 0.23 0.00 0.00 176.91 177.47 1nf4 h LYS 50 N 0.23 0.93 -1.01 0.39 3.64 -1.13 -1.27 116.57 118.36 1nf4 h LYS 50 Ca 0.08 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1nf4 h LYS 50 Cb 0.33 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1nf4 h LYS 50 CO 0.01 0.94 0.65 -0.07 -2.27 0.00 0.00 179.45 178.71 1nf4 h LEU 51 N 0.85 1.06 -0.36 5.20 3.38 -1.05 -0.57 115.31 123.83 1nf4 h LEU 51 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1nf4 h LEU 51 Cb 0.55 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1nf4 h LEU 51 CO 0.03 0.69 -0.64 0.40 0.09 0.00 0.00 178.44 179.02 1nf4 h ILE 52 N 1.21 1.31 -0.93 1.22 2.04 -0.66 -2.12 117.51 119.58 1nf4 h ILE 52 Ca 0.42 -1.88 0.08 0.00 1.00 0.00 0.00 64.86 64.48 1nf4 h ILE 52 Cb 0.11 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 1nf4 h ILE 52 CO -0.16 0.59 0.60 0.00 0.00 0.00 0.00 178.15 179.19 1nf4 h ALA 53 N 0.80 1.54 -0.26 1.87 0.00 -0.75 -0.78 119.26 121.68 1nf4 h ALA 53 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 53 Cb 1.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1nf4 h ALA 53 CO 0.13 0.29 -0.28 0.82 0.00 0.00 0.00 179.25 180.21 1nf4 h ILE 54 N 1.00 1.27 -1.00 0.00 2.04 -0.78 -0.32 117.51 119.73 1nf4 h ILE 54 Ca 0.42 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 65.02 1nf4 h ILE 54 Cb 0.31 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1nf4 h ILE 54 CO -0.18 0.42 0.64 0.44 0.00 0.00 0.00 178.15 179.48 1nf4 h ASP 55 N 0.45 1.02 0.06 1.72 3.32 -0.53 -1.93 116.42 120.55 1nf4 h ASP 55 Ca 0.06 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1nf4 h ASP 55 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1nf4 h ASP 55 CO 0.05 0.65 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.50 1nf4 h GLU 56 N 1.16 0.43 -0.64 3.56 4.39 -0.29 -1.36 114.58 121.84 1nf4 h GLU 56 Ca 0.43 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1nf4 h GLU 56 Cb 0.18 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1nf4 h GLU 56 CO -0.17 0.76 0.35 0.52 -1.16 0.00 0.00 179.01 179.31 1nf4 h MET 57 N 0.36 0.89 -0.70 2.33 2.86 -0.56 0.41 114.93 120.53 1nf4 h MET 57 Ca 0.03 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1nf4 h MET 57 Cb 0.86 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1nf4 h MET 57 CO 0.07 0.67 0.15 -0.09 1.06 0.00 0.00 176.91 178.77 1nf4 h ARG 58 N 0.87 1.14 -0.32 1.72 2.43 -1.10 -1.77 114.38 117.35 1nf4 h ARG 58 Ca 0.22 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1nf4 h ARG 58 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1nf4 h ARG 58 CO -0.04 1.01 0.18 0.45 -1.51 0.00 0.00 179.97 180.06 1nf4 h HIS 59 N 1.07 0.43 -0.99 2.20 3.86 -0.87 -0.44 115.15 120.41 1nf4 h HIS 59 Ca 0.22 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1nf4 h HIS 59 Cb 0.40 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1nf4 h HIS 59 CO 0.03 0.35 0.65 0.00 0.86 0.00 0.00 177.93 179.81 1nf4 h ALA 60 N 1.05 1.36 -0.30 2.45 0.00 -0.63 -1.47 119.26 121.71 1nf4 h ALA 60 Ca 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 60 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nf4 h ALA 60 CO -0.02 0.54 -0.05 1.49 0.00 0.00 0.00 179.25 181.21 1nf4 h GLU 61 N 1.24 0.57 -0.77 0.00 4.81 -1.08 -0.79 114.58 118.56 1nf4 h GLU 61 Ca 0.40 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1nf4 h GLU 61 Cb 0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1nf4 h GLU 61 CO -0.13 0.75 0.30 -0.91 -0.73 0.00 0.00 179.01 178.29 1nf4 h ASN 62 N 0.34 1.07 -0.25 1.04 -0.26 -0.66 0.12 115.58 116.98 1nf4 h ASN 62 Ca 0.08 -0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 1nf4 h ASN 62 Cb 0.52 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1nf4 h ASN 62 CO 0.03 0.96 0.13 -0.26 -1.06 0.00 0.00 177.43 177.22 1nf4 h PHE 63 N 1.13 0.35 -0.72 1.19 0.05 -1.24 -1.46 116.94 116.24 1nf4 h PHE 63 Ca 0.26 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 62.06 1nf4 h PHE 63 Cb 0.23 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 38.02 1nf4 h PHE 63 CO 0.02 0.31 0.45 0.00 -0.18 0.00 0.00 178.31 178.92 1nf4 h ALA 64 N 1.00 0.93 -0.51 2.45 0.00 -0.64 -0.57 119.26 121.93 1nf4 h ALA 64 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nf4 h ALA 64 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 64 CO -0.01 0.25 0.20 0.93 0.00 0.00 0.00 179.25 180.62 1nf4 h GLU 65 N 0.90 0.77 -0.76 0.00 5.08 -0.51 -2.15 114.58 117.90 1nf4 h GLU 65 Ca 0.28 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1nf4 h GLU 65 Cb -0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1nf4 h GLU 65 CO -0.10 0.68 0.27 -0.09 -1.00 0.00 0.00 179.01 178.78 1nf4 h ARG 66 N 0.69 1.16 -0.59 2.33 9.65 -0.92 -1.60 114.38 125.09 1nf4 h ARG 66 Ca 0.17 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1nf4 h ARG 66 Cb 0.20 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1nf4 h ARG 66 CO -0.01 0.96 0.34 0.82 2.80 0.00 0.00 179.97 184.87 1nf4 h ILE 67 N 1.11 1.02 -0.80 1.20 2.04 -0.90 -0.80 117.51 120.39 1nf4 h ILE 67 Ca 0.25 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1nf4 h ILE 67 Cb 0.26 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1nf4 h ILE 67 CO -0.01 0.12 0.35 0.11 0.00 0.00 0.00 178.15 178.72 1nf4 h LYS 68 N 0.65 1.17 -0.34 2.37 1.79 -1.13 0.16 116.57 121.24 1nf4 h LYS 68 Ca 0.25 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1nf4 h LYS 68 Cb 0.09 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1nf4 h LYS 68 CO -0.13 0.92 0.17 0.93 -1.08 0.00 0.00 179.45 180.26 1nf4 h GLU 69 N 1.14 0.47 -0.01 3.15 5.08 -0.66 -1.85 114.58 121.90 1nf4 h GLU 69 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nf4 h GLU 69 Cb 0.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1nf4 h GLU 69 CO -0.03 0.36 -0.02 1.28 -1.00 0.00 0.00 179.01 179.60 1nf4 n LEU 70 N -4.43 0.87 0.00 1.33 4.77 -0.36 -4.93 117.00 114.25 1nf4 n LEU 70 Ca 0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1nf4 n LEU 70 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nf4 n LEU 70 CO 0.36 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1nf4 n GLY 71 N 1.14 0.68 2.59 -0.72 0.00 -0.69 -4.88 105.19 103.29 1nf4 n GLY 71 Ca 0.20 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.56 2.36 3.24 -0.02 0.00 0.50 -4.98 105.19 103.73 1nf4 n GLY 72 Ca 0.00 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 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 -3.65 3.22 0.08 1.61 2.56 -1.26 -4.08 118.70 117.17 1nf4 s GLU 73 Ca 0.32 -0.72 -0.31 0.00 0.00 0.00 0.00 54.97 54.26 1nf4 s GLU 73 Cb -0.03 -2.79 -0.08 0.00 2.00 0.00 0.00 34.13 33.24 1nf4 s GLU 73 CO 0.20 -0.16 1.50 -2.14 -0.56 0.00 0.00 175.26 174.10 1nf4 s PRO 74 N 1.29 4.26 0.62 4.30 0.02 -1.26 -4.98 135.00 139.25 1nf4 s PRO 74 Ca 0.04 2.16 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 1nf4 s PRO 74 Cb -0.14 -3.43 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 1nf4 s PRO 74 CO -0.06 -0.59 1.23 -0.08 -0.33 0.00 0.00 177.00 177.17 1nf4 s THR 75 N 1.91 2.42 -0.09 0.99 -1.32 -1.26 -4.95 115.64 113.34 1nf4 s THR 75 Ca 0.68 0.26 0.13 0.00 -1.21 0.00 0.00 61.69 61.55 1nf4 s THR 75 Cb -0.37 -3.06 0.20 0.00 -1.51 0.00 0.00 72.50 67.75 1nf4 s THR 75 CO 0.30 -0.06 1.09 0.35 -2.21 0.00 0.00 174.62 174.09 1nf4 n THR 76 N -1.82 1.54 -4.18 5.08 -2.24 -1.26 -4.92 114.28 106.48 1nf4 n THR 76 Ca 0.14 -1.80 -0.34 0.00 -2.27 0.00 0.00 64.05 59.77 1nf4 n THR 76 Cb 0.49 -0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.23 3.68 0.42 -0.78 -1.52 -1.26 -5.10 119.66 112.88 1nf4 s GLN 77 Ca 0.22 -0.50 -0.22 0.00 -1.95 0.00 0.00 55.36 52.92 1nf4 s GLN 77 Cb 0.19 -3.04 -0.11 0.00 -0.22 0.00 0.00 33.01 29.84 1nf4 s GLN 77 CO 0.02 0.13 0.96 -1.59 -0.25 0.00 0.00 175.29 174.55 1nf4 s LYS 78 N 0.70 4.24 -0.16 2.91 -2.85 -1.26 -4.43 119.74 118.89 1nf4 s LYS 78 Ca -0.00 1.16 -0.18 0.00 -1.00 0.00 0.00 55.97 55.95 1nf4 s LYS 78 Cb -0.14 -2.25 -0.04 0.00 -2.06 0.00 0.00 37.83 33.34 1nf4 s LYS 78 CO 0.02 -0.02 0.50 -2.00 0.10 0.00 0.00 175.35 173.94 1nf4 s GLU 79 N -3.05 4.26 1.09 1.78 2.56 -0.07 -4.91 118.70 120.36 1nf4 s GLU 79 Ca 0.61 0.43 0.00 0.00 0.00 0.00 0.00 54.97 56.01 1nf4 s GLU 79 Cb -0.11 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.52 1nf4 s GLU 79 CO 0.15 0.00 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 1nf4 n GLY 80 N 3.58 -1.79 3.31 -1.50 0.00 -1.26 -4.65 105.19 102.87 1nf4 n GLY 80 Ca -0.06 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 1.54 0.02 1.61 1.02 -1.26 -5.07 119.74 117.61 1nf4 s LYS 81 Ca 0.00 -1.07 -0.27 0.00 0.02 0.00 0.00 55.97 54.65 1nf4 s LYS 81 Cb 0.00 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1nf4 s LYS 81 CO 0.00 0.44 0.86 0.08 -0.92 0.00 0.00 175.35 175.81 1nf4 s VAL 82 N -0.85 4.78 -0.21 3.17 1.01 -1.26 -5.03 120.40 122.00 1nf4 s VAL 82 Ca 0.10 1.83 -0.13 0.00 0.00 0.00 0.00 61.98 63.77 1nf4 s VAL 82 Cb -0.09 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1nf4 s VAL 82 CO 0.02 0.27 0.28 -0.69 0.00 0.00 0.00 175.10 174.98 1nf4 s VAL 83 N 0.45 5.28 0.37 2.92 1.01 -1.26 -5.08 120.40 124.09 1nf4 s VAL 83 Ca 0.44 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.95 1nf4 s VAL 83 Cb -0.21 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1nf4 s VAL 83 CO 0.25 0.31 0.25 0.42 0.00 0.00 0.00 175.10 176.33 1nf4 s THR 84 N 1.08 2.97 -1.10 3.92 -4.23 -1.26 -4.67 115.64 112.35 1nf4 s THR 84 Ca 0.14 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1nf4 s THR 84 Cb -0.14 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1nf4 s THR 84 CO 0.06 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1nf4 n GLY 85 N -1.33 1.17 3.74 3.99 0.00 -1.26 -4.98 105.19 106.52 1nf4 n GLY 85 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.82 4.37 0.85 1.61 -0.21 -1.26 -5.00 119.66 117.20 1nf4 s GLN 86 Ca 0.00 2.09 -0.11 0.00 0.02 0.00 0.00 55.36 57.37 1nf4 s GLN 86 Cb 0.00 -3.18 0.11 0.00 1.00 0.00 0.00 33.01 30.93 1nf4 s GLN 86 CO 0.00 -0.29 1.13 0.00 -2.12 0.00 0.00 175.29 174.01 1nf4 s ALA 87 N 0.15 1.79 0.19 6.09 0.00 -1.26 -4.69 121.76 124.04 1nf4 s ALA 87 Ca 0.58 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1nf4 s ALA 87 Cb -0.37 -3.39 0.21 0.00 0.00 0.00 0.00 23.12 19.57 1nf4 s ALA 87 CO 0.38 -2.36 1.74 0.28 0.00 0.00 0.00 175.76 175.81 1nf4 h VAL 88 N -1.49 0.80 -0.33 0.00 2.07 -2.00 -0.28 116.25 115.02 1nf4 h VAL 88 Ca -0.44 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1nf4 h VAL 88 Cb 1.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1nf4 h VAL 88 CO 0.45 0.07 -0.01 -0.65 0.02 0.00 0.00 177.57 177.45 1nf4 h PRO 89 N 0.36 0.51 -0.24 1.57 0.11 -1.99 -2.62 132.00 129.70 1nf4 h PRO 89 Ca 0.26 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1nf4 h PRO 89 Cb 0.31 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1nf4 h PRO 89 CO -0.28 0.54 -0.37 0.28 -0.21 0.00 0.00 178.00 177.97 1nf4 h VAL 90 N 0.49 1.29 -0.15 3.15 2.07 -1.60 -1.52 116.25 119.97 1nf4 h VAL 90 Ca 0.10 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1nf4 h VAL 90 Cb 0.34 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1nf4 h VAL 90 CO 0.01 0.47 -0.09 0.40 0.02 0.00 0.00 177.57 178.39 1nf4 h ILE 91 N 0.45 0.73 -0.03 4.57 2.04 -0.71 0.76 117.51 125.32 1nf4 h ILE 91 Ca 0.05 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.71 1nf4 h ILE 91 Cb 0.85 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1nf4 h ILE 91 CO 0.07 0.00 -0.83 1.88 0.00 0.00 0.00 178.15 179.27 1nf4 h TYR 92 N -0.08 0.47 -0.01 1.37 -1.99 -1.41 -0.23 116.97 115.08 1nf4 h TYR 92 Ca 0.09 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 1nf4 h TYR 92 Cb 0.21 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 1nf4 h TYR 92 CO -0.23 1.02 -0.00 1.49 -0.00 0.00 0.00 178.16 180.44 1nf4 h GLU 93 N 0.21 0.03 -0.32 4.88 4.81 -1.18 -1.33 114.58 121.67 1nf4 h GLU 93 Ca -0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1nf4 h GLU 93 Cb 1.43 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 1nf4 h GLU 93 CO 0.14 0.36 -0.02 0.77 -0.73 0.00 0.00 179.01 179.52 1nf4 h SER 94 N -0.31 0.47 0.22 1.04 0.02 -0.83 -1.82 113.55 112.34 1nf4 h SER 94 Ca 0.00 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1nf4 h SER 94 Cb 0.35 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1nf4 h SER 94 CO 0.00 0.55 -0.63 0.44 -1.14 0.00 0.00 176.83 176.05 1nf4 h ASP 95 N 0.47 0.45 -0.45 3.07 3.32 -0.95 -0.48 116.42 121.85 1nf4 h ASP 95 Ca 0.10 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1nf4 h ASP 95 Cb 0.34 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1nf4 h ASP 95 CO 0.01 0.96 0.13 0.00 -1.72 0.00 0.00 179.24 178.62 1nf4 h ALA 96 N 1.04 0.59 -0.39 3.45 0.00 -0.89 -1.33 119.26 121.72 1nf4 h ALA 96 Ca -0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1nf4 h ALA 96 Cb 1.17 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1nf4 h ALA 96 CO 0.11 0.26 0.09 -0.44 0.00 0.00 0.00 179.25 179.27 1nf4 h ASP 97 N 0.59 0.04 -0.46 0.00 3.32 -1.15 -0.13 116.42 118.63 1nf4 h ASP 97 Ca 0.14 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1nf4 h ASP 97 Cb 0.29 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1nf4 h ASP 97 CO -0.00 0.06 0.18 -0.61 -1.72 0.00 0.00 179.24 177.14 1nf4 h GLN 98 N 0.23 0.70 -0.44 3.56 4.15 -0.91 -0.46 115.11 121.94 1nf4 h GLN 98 Ca 0.19 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1nf4 h GLN 98 Cb 0.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1nf4 h GLN 98 CO -0.23 0.64 0.17 0.93 -1.93 0.00 0.00 178.83 178.41 1nf4 h GLU 99 N 0.61 0.66 -0.23 1.69 4.39 -0.95 0.47 114.58 121.23 1nf4 h GLU 99 Ca 0.15 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.78 1nf4 h GLU 99 Cb 0.21 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1nf4 h GLU 99 CO -0.01 0.61 -0.08 0.22 -1.16 0.00 0.00 179.01 178.60 1nf4 h ASP 100 N 0.57 -0.27 -0.69 1.42 1.82 -0.81 -0.55 116.42 117.91 1nf4 h ASP 100 Ca 0.15 0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1nf4 h ASP 100 Cb 0.21 0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 1nf4 h ASP 100 CO -0.01 -0.10 0.45 0.00 -1.61 0.00 0.00 179.24 177.97 1nf4 h ALA 101 N 1.18 1.55 -0.56 -0.78 0.00 -0.77 -1.45 119.26 118.44 1nf4 h ALA 101 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 101 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nf4 h ALA 101 CO -0.25 0.39 0.08 1.15 0.00 0.00 0.00 179.25 180.62 1nf4 h THR 102 N 0.88 1.26 -0.64 0.00 2.02 -0.02 -1.00 112.91 115.41 1nf4 h THR 102 Ca 0.26 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1nf4 h THR 102 Cb -0.03 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1nf4 h THR 102 CO -0.07 0.36 0.18 0.40 0.37 0.00 0.00 175.52 176.77 1nf4 h ILE 103 N 0.83 1.25 -0.44 3.11 2.04 -0.45 0.21 117.51 124.06 1nf4 h ILE 103 Ca 0.17 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1nf4 h ILE 103 Cb 0.43 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1nf4 h ILE 103 CO 0.01 0.34 0.28 -0.33 0.00 0.00 0.00 178.15 178.45 1nf4 h GLU 104 N 0.93 0.60 -0.17 2.37 4.39 -1.10 -1.29 114.58 120.32 1nf4 h GLU 104 Ca 0.20 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1nf4 h GLU 104 Cb 0.32 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1nf4 h GLU 104 CO -0.00 0.43 0.04 0.00 -1.16 0.00 0.00 179.01 178.32 1nf4 h ALA 105 N 1.13 0.22 0.00 3.43 0.00 -0.77 -2.76 119.26 120.51 1nf4 h ALA 105 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 105 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nf4 h ALA 105 CO -0.03 -0.14 -0.31 1.88 0.00 0.00 0.00 179.25 180.65 1nf4 h TYR 106 N 0.08 0.00 -0.45 0.00 -1.99 -0.51 -0.66 116.97 113.43 1nf4 h TYR 106 Ca 0.05 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 1nf4 h TYR 106 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1nf4 h TYR 106 CO 0.01 0.31 -0.08 0.77 -0.00 0.00 0.00 178.16 179.17 1nf4 h SER 107 N 0.00 0.86 -0.56 3.88 0.02 -1.07 0.99 113.55 117.67 1nf4 h SER 107 Ca -0.00 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1nf4 h SER 107 Cb 0.56 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1nf4 h SER 107 CO 0.04 1.00 0.24 1.56 -1.14 0.00 0.00 176.83 178.54 1nf4 h GLN 108 N 0.69 0.83 -0.52 3.45 1.08 -1.16 -2.63 115.11 116.86 1nf4 h GLN 108 Ca 0.12 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1nf4 h GLN 108 Cb 0.61 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1nf4 h GLN 108 CO 0.04 0.70 0.29 0.74 -0.95 0.00 0.00 178.83 179.66 1nf4 h PHE 109 N 0.77 0.68 -0.60 2.96 0.05 -0.72 -2.25 116.94 117.84 1nf4 h PHE 109 Ca 0.19 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 1nf4 h PHE 109 Cb 0.17 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 37.87 1nf4 h PHE 109 CO 0.00 0.47 0.36 1.25 -0.18 0.00 0.00 178.31 180.21 1nf4 h LEU 110 N 0.71 0.73 -0.49 1.54 6.46 -0.55 -1.98 115.31 121.73 1nf4 h LEU 110 Ca 0.19 -0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 1nf4 h LEU 110 Cb 0.00 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.69 1nf4 h LEU 110 CO -0.03 0.58 0.15 0.50 -0.62 0.00 0.00 178.44 179.01 1nf4 h LYS 111 N 0.81 0.30 -0.96 1.25 3.64 -1.06 -0.44 116.57 120.10 1nf4 h LYS 111 Ca 0.22 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1nf4 h LYS 111 Cb -0.01 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1nf4 h LYS 111 CO -0.04 0.20 0.64 0.28 -2.27 0.00 0.00 179.45 178.25 1nf4 h VAL 112 N 0.31 1.23 -0.70 2.00 2.07 -0.98 0.86 116.25 121.03 1nf4 h VAL 112 Ca 0.24 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1nf4 h VAL 112 Cb 0.27 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 1nf4 h VAL 112 CO -0.27 0.24 0.41 0.00 0.02 0.00 0.00 177.57 177.97 1nf4 h LYS 114 N 0.96 0.70 0.00 0.00 1.57 -0.31 -0.11 116.57 119.38 1nf4 h LYS 114 Ca 0.25 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1nf4 h LYS 114 Cb -0.01 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1nf4 h LYS 114 CO -0.04 0.66 -0.15 0.93 -0.57 0.00 0.00 179.45 180.28 1nf4 h GLU 115 N 0.59 0.00 -0.45 3.15 5.08 -0.44 -2.13 114.58 120.38 1nf4 h GLU 115 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1nf4 h GLU 115 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1nf4 h GLU 115 CO -0.01 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.19 1nf4 n GLN 116 N -4.03 2.16 -3.30 2.33 1.13 -0.09 -4.93 117.38 110.66 1nf4 n GLN 116 Ca -0.02 -1.79 -0.23 0.00 -1.94 0.00 0.00 57.00 53.02 1nf4 n GLN 116 Cb 0.23 -1.41 0.05 0.00 0.11 0.00 0.00 30.24 29.22 1nf4 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf4 n GLY 117 N 1.31 -0.53 3.13 1.08 0.00 -0.80 -4.90 105.19 104.47 1nf4 n GLY 117 Ca 0.17 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 5.85 0.19 1.61 -1.08 -0.10 -4.92 116.67 115.24 1nf4 s ASP 118 Ca 0.44 -3.38 -0.09 0.00 -0.52 0.00 0.00 52.55 49.00 1nf4 s ASP 118 Cb -0.19 -1.92 0.10 0.00 -1.46 0.00 0.00 42.92 39.44 1nf4 s ASP 118 CO 0.54 -0.27 1.70 0.40 0.52 0.00 0.00 175.17 178.06 1nf4 h ILE 119 N 4.48 1.26 -0.73 4.11 1.08 -1.93 -1.32 117.51 124.46 1nf4 h ILE 119 Ca 0.10 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1nf4 h ILE 119 Cb 0.87 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 1nf4 h ILE 119 CO 0.81 0.37 0.40 0.58 -0.69 0.00 0.00 178.15 179.61 1nf4 h VAL 120 N 1.01 1.22 0.00 1.67 2.07 -1.96 -1.08 116.25 119.17 1nf4 h VAL 120 Ca 0.21 -0.56 -0.21 0.00 0.82 0.00 0.00 66.70 66.96 1nf4 h VAL 120 Cb 0.38 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nf4 h VAL 120 CO 0.00 0.25 -0.91 0.74 0.02 0.00 0.00 177.57 177.68 1nf4 h THR 121 N 1.01 1.45 -0.77 2.57 2.02 -1.91 -2.58 112.91 114.71 1nf4 h THR 121 Ca 0.26 -2.53 0.02 0.00 0.77 0.00 0.00 66.41 64.92 1nf4 h THR 121 Cb 0.04 2.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1nf4 h THR 121 CO -0.04 0.75 0.51 0.00 0.37 0.00 0.00 175.52 177.10 1nf4 h ALA 122 N 0.86 1.48 -0.19 6.16 0.00 -0.96 -1.76 119.26 124.85 1nf4 h ALA 122 Ca -0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1nf4 h ALA 122 Cb 1.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1nf4 h ALA 122 CO 0.15 0.47 -0.49 -0.09 0.00 0.00 0.00 179.25 179.29 1nf4 h ARG 123 N 1.01 0.51 -0.47 0.00 9.65 -1.04 -1.44 114.38 122.60 1nf4 h ARG 123 Ca 0.29 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1nf4 h ARG 123 Cb -0.07 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1nf4 h ARG 123 CO -0.07 0.89 0.31 1.25 2.80 0.00 0.00 179.97 185.14 1nf4 h LEU 124 N 0.40 0.52 -0.86 3.80 5.85 -1.06 -1.97 115.31 122.01 1nf4 h LEU 124 Ca 0.02 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1nf4 h LEU 124 Cb 1.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1nf4 h LEU 124 CO 0.09 0.38 0.39 -0.26 -0.34 0.00 0.00 178.44 178.69 1nf4 h PHE 125 N 0.62 1.22 -0.55 1.25 -1.00 -1.07 -1.59 116.94 115.82 1nf4 h PHE 125 Ca 0.17 -0.07 0.02 0.00 2.81 0.00 0.00 57.97 60.90 1nf4 h PHE 125 Cb -0.06 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 39.09 1nf4 h PHE 125 CO -0.05 0.89 0.35 0.93 -1.61 0.00 0.00 178.31 178.82 1nf4 h GLU 126 N 1.20 0.68 -0.17 1.51 5.08 -0.90 0.14 114.58 122.12 1nf4 h GLU 126 Ca 0.29 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1nf4 h GLU 126 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1nf4 h GLU 126 CO -0.03 0.45 0.08 -0.09 -1.00 0.00 0.00 179.01 178.42 1nf4 h ARG 127 N 0.70 0.25 -0.38 2.33 2.43 -1.13 -2.14 114.38 116.44 1nf4 h ARG 127 Ca 0.22 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1nf4 h ARG 127 Cb -0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1nf4 h ARG 127 CO -0.08 0.29 -0.32 0.82 -1.51 0.00 0.00 179.97 179.18 1nf4 h ILE 128 N 0.15 1.28 -0.82 1.20 2.04 -1.01 -1.96 117.51 118.39 1nf4 h ILE 128 Ca 0.06 -1.48 0.11 0.00 1.00 0.00 0.00 64.86 64.54 1nf4 h ILE 128 Cb 0.13 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1nf4 h ILE 128 CO -0.01 0.49 0.53 0.40 0.00 0.00 0.00 178.15 179.57 1nf4 h ILE 129 N 0.72 0.93 -0.45 -0.67 2.04 -0.59 0.39 117.51 119.88 1nf4 h ILE 129 Ca 0.07 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1nf4 h ILE 129 Cb 0.88 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1nf4 h ILE 129 CO 0.08 0.13 -0.05 -0.33 0.00 0.00 0.00 178.15 177.98 1nf4 h GLU 130 N 0.73 0.76 -0.34 2.37 5.08 -0.68 -1.68 114.58 120.83 1nf4 h GLU 130 Ca 0.38 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 1nf4 h GLU 130 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1nf4 h GLU 130 CO -0.15 0.81 -0.41 0.93 -1.00 0.00 0.00 179.01 179.19 1nf4 h GLU 131 N 0.70 0.83 -0.77 2.33 5.08 -0.87 -2.79 114.58 119.10 1nf4 h GLU 131 Ca 0.13 -0.44 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1nf4 h GLU 131 Cb 0.51 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1nf4 h GLU 131 CO 0.03 1.08 0.51 0.93 -1.00 0.00 0.00 179.01 180.55 1nf4 h GLU 132 N 0.67 0.97 -0.98 2.33 4.39 -0.70 -1.64 114.58 119.62 1nf4 h GLU 132 Ca 0.05 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1nf4 h GLU 132 Cb 0.98 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.36 1nf4 h GLU 132 CO 0.09 0.64 0.65 0.37 -1.16 0.00 0.00 179.01 179.60 1nf4 h GLN 133 N 0.99 1.28 -0.49 2.33 5.75 -1.13 0.52 115.11 124.37 1nf4 h GLN 133 Ca 0.29 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1nf4 h GLN 133 Cb -0.05 -0.29 -0.03 0.00 1.07 0.00 0.00 27.48 28.19 1nf4 h GLN 133 CO -0.07 0.85 0.31 0.00 -2.65 0.00 0.00 178.83 177.26 1nf4 h ALA 134 N 1.36 0.62 -0.53 3.38 0.00 -1.06 -0.78 119.26 122.25 1nf4 h ALA 134 Ca 0.36 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1nf4 h ALA 134 Cb -0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1nf4 h ALA 134 CO -0.08 0.02 0.27 0.45 0.00 0.00 0.00 179.25 179.92 1nf4 h HIS 135 N 0.62 0.49 -0.22 0.00 3.86 -0.72 -0.29 115.15 118.90 1nf4 h HIS 135 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1nf4 h HIS 135 Cb -0.03 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1nf4 h HIS 135 CO -0.05 0.24 0.11 1.25 0.86 0.00 0.00 177.93 180.34 1nf4 h LEU 136 N 0.52 0.29 -0.42 2.43 5.85 -0.48 -0.21 115.31 123.29 1nf4 h LEU 136 Ca 0.23 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1nf4 h LEU 136 Cb 0.14 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1nf4 h LEU 136 CO -0.16 0.32 0.25 0.74 -0.34 0.00 0.00 178.44 179.25 1nf4 h THR 137 N 0.23 1.06 -0.13 1.05 2.02 -1.00 -0.36 112.91 115.79 1nf4 h THR 137 Ca 0.08 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1nf4 h THR 137 Cb 0.10 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1nf4 h THR 137 CO -0.01 0.09 -0.19 0.22 0.37 0.00 0.00 175.52 176.00 1nf4 h TYR 138 N 0.52 -0.51 -0.56 3.16 3.20 -0.41 -1.67 116.97 120.71 1nf4 h TYR 138 Ca 0.16 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1nf4 h TYR 138 Cb -0.01 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1nf4 h TYR 138 CO -0.07 -0.27 0.02 1.88 -1.64 0.00 0.00 178.16 178.08 1nf4 h TYR 139 N -0.25 1.01 -0.64 -3.82 0.99 -0.78 -2.17 116.97 111.31 1nf4 h TYR 139 Ca 0.10 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1nf4 h TYR 139 Cb 0.39 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 37.82 1nf4 h TYR 139 CO -0.30 0.90 0.35 0.93 -0.00 0.00 0.00 178.16 180.03 1nf4 h GLU 140 N 0.87 0.90 -0.03 4.88 5.08 -0.86 -1.07 114.58 124.35 1nf4 h GLU 140 Ca 0.16 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nf4 h GLU 140 Cb 0.48 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nf4 h GLU 140 CO 0.02 0.68 0.01 -0.91 -1.00 0.00 0.00 179.01 177.82 1nf4 h ASN 141 N 0.87 0.04 -0.44 1.42 2.35 -1.03 0.12 115.58 118.91 1nf4 h ASN 141 Ca 0.22 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1nf4 h ASN 141 Cb 0.05 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1nf4 h ASN 141 CO -0.04 0.12 0.15 0.40 -1.65 0.00 0.00 177.43 176.41 1nf4 h ILE 142 N -0.05 1.22 -0.72 2.81 1.08 -1.33 -0.78 117.51 119.74 1nf4 h ILE 142 Ca 0.01 -0.71 0.12 0.00 -0.39 0.00 0.00 64.86 63.89 1nf4 h ILE 142 Cb 0.09 0.85 -0.08 0.00 -3.07 0.00 0.00 36.82 34.61 1nf4 h ILE 142 CO -0.00 0.25 0.31 1.23 -0.69 0.00 0.00 178.15 179.26 1nf4 h GLY 143 N 0.57 1.09 1.16 5.37 0.00 -1.04 0.18 103.07 110.39 1nf4 h GLY 143 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1nf4 h GLY 143 CO -0.01 -0.03 0.19 0.23 0.00 0.00 0.00 176.54 176.92 1nf4 h SER 144 N 0.50 0.98 -0.18 0.19 0.87 -0.22 -0.65 113.55 115.04 1nf4 h SER 144 Ca 0.38 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1nf4 h SER 144 Cb 0.51 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1nf4 h SER 144 CO -0.34 0.93 -0.35 0.45 -0.53 0.00 0.00 176.83 176.99 1nf4 h HIS 145 N 1.01 0.82 -0.25 2.24 -0.00 0.32 0.41 115.15 119.70 1nf4 h HIS 145 Ca 0.22 -0.22 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1nf4 h HIS 145 Cb 0.31 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1nf4 h HIS 145 CO 0.02 0.95 0.06 0.82 -0.00 0.00 0.00 177.93 179.79 1nf4 h ILE 146 N 0.58 1.21 -0.17 2.45 2.04 -0.19 0.47 117.51 123.90 1nf4 h ILE 146 Ca 0.06 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1nf4 h ILE 146 Cb 0.87 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1nf4 h ILE 146 CO 0.08 0.22 0.10 0.11 0.00 0.00 0.00 178.15 178.66 1nf4 h LYS 147 N 0.24 0.24 0.04 2.37 1.57 -1.06 0.35 116.57 120.31 1nf4 h LYS 147 Ca 0.08 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 1nf4 h LYS 147 Cb 0.27 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nf4 h LYS 147 CO 0.00 0.22 -1.00 -0.91 -0.57 0.00 0.00 179.45 177.19 1nf4 h ASN 148 N 0.19 0.27 0.00 0.86 2.35 -0.88 -3.38 115.58 114.99 1nf4 h ASN 148 Ca 0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1nf4 h ASN 148 Cb 0.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1nf4 h ASN 148 CO -0.01 1.11 -0.39 0.18 -1.65 0.00 0.00 177.43 176.66 1nf4 n LEU 149 N -3.57 0.04 0.00 1.61 4.77 0.15 -5.08 117.00 114.92 1nf4 n LEU 149 Ca -0.04 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1nf4 n LEU 149 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1nf4 n LEU 149 CO 0.49 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1nf4 n GLY 150 N 1.50 3.42 0.12 -0.72 0.00 0.12 -1.81 105.19 107.82 1nf4 n GLY 150 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1nf4 n GLY 150 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nf4 n ASP 151 N 5.07 0.68 -0.09 1.61 8.00 -1.26 -2.52 116.55 128.03 1nf4 n ASP 151 Ca 0.00 0.64 -0.10 0.00 0.71 0.00 0.00 54.79 56.04 1nf4 n ASP 151 Cb 0.00 -0.79 0.05 0.00 -0.02 0.00 0.00 41.12 40.36 1nf4 n ASP 151 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1nf4 h THR 152 N 0.00 1.28 -0.27 -3.53 2.02 -1.76 -1.72 112.91 108.93 1nf4 h THR 152 Ca 0.00 -1.44 -0.12 0.00 0.77 0.00 0.00 66.41 65.62 1nf4 h THR 152 Cb 0.46 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1nf4 h THR 152 CO 0.00 0.48 -0.30 0.22 0.37 0.00 0.00 175.52 176.29 1nf4 h TYR 153 N 0.69 0.83 -0.51 3.16 3.20 -1.58 -3.29 116.97 119.47 1nf4 h TYR 153 Ca 0.08 -0.26 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 1nf4 h TYR 153 Cb 0.84 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1nf4 h TYR 153 CO 0.05 1.00 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.46 1nf4 h LEU 154 N 0.42 0.88 -1.59 2.82 3.38 -1.46 -1.65 115.31 118.10 1nf4 h LEU 154 Ca 0.04 -0.24 0.19 0.00 0.09 0.00 0.00 57.88 57.96 1nf4 h LEU 154 Cb 0.88 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1nf4 h LEU 154 CO 0.07 0.96 0.57 0.00 0.09 0.00 0.00 178.44 180.14 1nf4 h ALA 155 N 1.13 2.26 -0.04 1.53 0.00 -1.38 0.47 119.26 123.24 1nf4 h ALA 155 Ca 0.15 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 155 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nf4 h ALA 155 CO 0.03 -0.52 -0.66 -0.22 0.00 0.00 0.00 179.25 177.88 1nf4 h LYS 156 N 0.35 0.15 0.00 0.00 3.64 -1.37 -3.16 116.57 116.18 1nf4 h LYS 156 Ca 0.43 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1nf4 h LYS 156 Cb 1.15 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1nf4 h LYS 156 CO -0.14 0.76 -0.74 0.82 -2.27 0.00 0.00 179.45 177.88 1nf4 h ILE 157 N 0.11 0.22 -1.97 2.00 1.08 0.00 -3.45 117.51 115.51 1nf4 h ILE 157 Ca -0.01 -1.37 -0.64 0.00 -0.39 0.00 0.00 64.86 62.45 1nf4 h ILE 157 Cb 1.18 1.87 0.04 0.00 -3.07 0.00 0.00 36.82 36.84 1nf4 h ILE 157 CO 0.10 0.13 0.80 0.00 -0.69 0.00 0.00 178.15 178.49 1nf4 n ALA 158 N -2.21 0.46 -0.99 1.87 0.00 0.43 -1.92 120.51 118.16 1nf4 n ALA 158 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1nf4 n ALA 158 Cb 0.63 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 3.55 0.61 3.79 0.00 0.00 -0.81 -4.98 105.19 107.35 1nf4 n GLY 159 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1nf4 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf4 s THR 160 N -2.48 3.63 0.44 2.61 -4.23 -0.81 -4.95 115.64 109.86 1nf4 s THR 160 Ca 0.00 0.71 -0.26 0.00 -1.18 0.00 0.00 61.69 60.96 1nf4 s THR 160 Cb 0.00 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1nf4 s THR 160 CO 0.00 -0.52 1.44 -2.65 -0.54 0.00 0.00 174.62 172.35 1nf4 n PRO 161 N -2.44 2.29 0.00 3.99 -0.02 -1.26 -3.73 135.00 133.83 1nf4 n PRO 161 Ca 0.09 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.45 1nf4 n PRO 161 Cb 0.53 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.12 1.75 -4.71 2.55 3.41 -1.26 -3.15 113.62 112.09 1nf4 n SER 162 Ca 0.05 -1.38 -0.43 0.00 -0.26 0.00 0.00 58.87 56.85 1nf4 n SER 162 Cb 0.41 0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.26 3.32 -1.22 4.04 2.88 -1.26 -4.21 113.62 117.43 1nf4 n SER 163 Ca 0.07 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.84 1nf4 n SER 163 Cb 0.31 -1.52 0.29 0.00 -0.75 0.00 0.00 64.21 62.54 1nf4 n SER 163 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nf4 n THR 164 N 1.85 1.69 0.00 2.46 -2.24 -1.26 -4.95 114.28 111.83 1nf4 n THR 164 Ca 0.09 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1nf4 n THR 164 Cb 0.35 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.69 -0.18 3.76 3.38 0.00 -1.26 -5.00 105.19 106.59 1nf4 n GLY 165 Ca 0.21 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf4 s THR 166 N 0.00 3.06 0.63 2.61 -1.32 -1.26 -4.96 115.64 114.40 1nf4 s THR 166 Ca 0.00 1.07 -0.18 0.00 -1.21 0.00 0.00 61.69 61.37 1nf4 s THR 166 Cb 0.00 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 1nf4 s THR 166 CO 0.00 0.25 1.08 0.00 -2.21 0.00 0.00 174.62 173.74 1nf4 n ALA 167 N 0.94 0.51 -1.18 11.08 0.00 -1.26 -4.83 120.51 125.77 1nf4 n ALA 167 Ca -0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 53.44 52.95 1nf4 n ALA 167 Cb 0.43 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.27 0.53 -4.62 0.00 3.41 -1.26 -4.85 113.62 105.56 1nf4 n SER 168 Ca 0.15 0.45 -0.43 0.00 -0.26 0.00 0.00 58.87 58.78 1nf4 n SER 168 Cb 0.48 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1nf4 n SER 168 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nf4 s LYS 169 N 6.17 3.62 0.00 4.33 1.02 -1.26 -4.91 119.74 128.70 1nf4 s LYS 169 Ca 1.11 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.80 1nf4 s LYS 169 Cb -1.25 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 31.93 1nf4 s LYS 169 CO 0.53 -1.52 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 1nf4 n GLY 170 N 4.99 4.82 0.07 -3.33 0.00 -1.26 -5.08 105.19 105.40 1nf4 n GLY 170 Ca 0.21 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 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 0.07 0.00 0.00 1.61 3.57 -2.05 -3.56 116.94 116.57 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 1.00 0.00 1.33 -2.23 0.00 0.00 178.31 178.41