#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 0.17 -0.30 1.20 2.47 -2.01 -0.87 114.38 115.04 1nf4 h ARG 5 Ca 0.00 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 1nf4 h ARG 5 Cb 0.00 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1nf4 h ARG 5 CO 0.00 0.11 -0.26 0.93 0.56 0.00 0.00 179.97 181.31 1nf4 h GLU 6 N 0.17 0.60 -0.07 0.04 3.07 -2.01 -2.43 114.58 113.96 1nf4 h GLU 6 Ca 0.57 -0.24 -0.19 0.00 -0.50 0.00 0.00 59.36 59.00 1nf4 h GLU 6 Cb 1.17 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1nf4 h GLU 6 CO -0.69 0.80 -0.77 0.22 -1.40 0.00 0.00 179.01 177.17 1nf4 h ASP 7 N 0.52 0.51 -0.64 1.42 3.58 -1.60 -0.70 116.42 119.50 1nf4 h ASP 7 Ca 0.07 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 1nf4 h ASP 7 Cb 0.72 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 1nf4 h ASP 7 CO 0.06 1.10 0.20 0.03 -2.88 0.00 0.00 179.24 177.75 1nf4 h ARG 8 N 0.28 1.03 -0.12 0.28 3.08 -1.35 -0.15 114.38 117.43 1nf4 h ARG 8 Ca -0.04 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1nf4 h ARG 8 Cb 1.35 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1nf4 h ARG 8 CO 0.13 0.88 -0.04 0.87 -1.07 0.00 0.00 179.97 180.74 1nf4 h LYS 9 N 0.99 0.24 -0.88 0.04 1.57 -1.35 -2.67 116.57 114.50 1nf4 h LYS 9 Ca 0.22 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1nf4 h LYS 9 Cb 0.29 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 1nf4 h LYS 9 CO -0.01 0.55 0.56 0.00 -0.57 0.00 0.00 179.45 179.99 1nf4 h ALA 10 N 0.68 1.20 -0.33 3.86 0.00 -0.93 0.29 119.26 124.03 1nf4 h ALA 10 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nf4 h ALA 10 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nf4 h ALA 10 CO 0.01 0.35 -0.23 0.87 0.00 0.00 0.00 179.25 180.25 1nf4 h LYS 11 N 1.05 0.63 0.25 0.00 1.57 -1.04 -1.80 116.57 117.24 1nf4 h LYS 11 Ca 0.37 -0.25 -0.34 0.00 -1.87 0.00 0.00 60.65 58.57 1nf4 h LYS 11 Cb 0.11 -0.03 0.04 0.00 0.08 0.00 0.00 32.23 32.42 1nf4 h LYS 11 CO -0.15 0.81 -1.48 0.28 -0.57 0.00 0.00 179.45 178.34 1nf4 h VAL 12 N 0.56 1.28 -0.54 0.50 2.07 -0.98 -3.01 116.25 116.14 1nf4 h VAL 12 Ca 0.08 -2.69 0.12 0.00 0.82 0.00 0.00 66.70 65.02 1nf4 h VAL 12 Cb 0.70 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.47 1nf4 h VAL 12 CO 0.05 0.81 0.37 0.40 0.02 0.00 0.00 177.57 179.22 1nf4 h ILE 13 N 0.16 0.83 -0.20 4.57 2.04 -0.44 -0.43 117.51 124.04 1nf4 h ILE 13 Ca -0.26 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1nf4 h ILE 13 Cb 2.17 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1nf4 h ILE 13 CO 0.28 0.04 0.01 -0.08 0.00 0.00 0.00 178.15 178.39 1nf4 h GLU 14 N 0.21 0.35 0.00 2.37 4.81 -1.19 -1.49 114.58 119.64 1nf4 h GLU 14 Ca 0.25 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 1nf4 h GLU 14 Cb 0.72 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1nf4 h GLU 14 CO -0.05 0.54 -0.62 -0.39 -0.73 0.00 0.00 179.01 177.76 1nf4 h VAL 15 N 0.11 1.35 -0.54 0.32 -1.51 -1.36 -2.16 116.25 112.46 1nf4 h VAL 15 Ca 0.06 -2.21 -0.10 0.00 -1.23 0.00 0.00 66.70 63.21 1nf4 h VAL 15 Cb 0.38 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 1nf4 h VAL 15 CO 0.01 0.61 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.83 1nf4 h LEU 16 N 0.00 0.97 -0.67 4.19 3.38 -0.96 -0.02 115.31 122.21 1nf4 h LEU 16 Ca -0.01 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 1nf4 h LEU 16 Cb 1.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1nf4 h LEU 16 CO 0.08 1.06 -0.62 0.78 0.09 0.00 0.00 178.44 179.83 1nf4 h ASN 17 N 0.88 0.19 -0.43 -0.43 2.35 -1.16 0.35 115.58 117.33 1nf4 h ASN 17 Ca 0.15 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1nf4 h ASN 17 Cb 0.61 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1nf4 h ASN 17 CO 0.04 0.76 0.12 0.11 -1.65 0.00 0.00 177.43 176.81 1nf4 h LYS 18 N 0.12 0.69 -0.48 0.81 1.57 -1.13 0.10 116.57 118.24 1nf4 h LYS 18 Ca -0.01 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1nf4 h LYS 18 Cb 1.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1nf4 h LYS 18 CO 0.09 0.69 0.15 0.00 -0.57 0.00 0.00 179.45 179.81 1nf4 h ALA 19 N 0.97 0.63 -0.72 3.86 0.00 -0.80 -2.43 119.26 120.76 1nf4 h ALA 19 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nf4 h ALA 19 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nf4 h ALA 19 CO -0.00 0.28 0.36 -0.09 0.00 0.00 0.00 179.25 179.80 1nf4 h ARG 20 N 0.64 1.02 -0.12 0.00 2.43 -0.01 -0.97 114.38 117.37 1nf4 h ARG 20 Ca 0.15 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1nf4 h ARG 20 Cb 0.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1nf4 h ARG 20 CO -0.00 0.78 -0.18 0.00 -1.51 0.00 0.00 179.97 179.05 1nf4 h ALA 21 N 1.38 1.48 -0.33 2.80 0.00 -0.72 -1.42 119.26 122.45 1nf4 h ALA 21 Ca 0.25 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 21 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nf4 h ALA 21 CO -0.03 0.37 -0.37 0.52 0.00 0.00 0.00 179.25 179.73 1nf4 h MET 22 N 0.18 0.76 -0.29 0.00 2.86 -0.74 0.43 114.93 118.13 1nf4 h MET 22 Ca 0.03 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1nf4 h MET 22 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1nf4 h MET 22 CO 0.03 1.01 0.09 0.93 1.06 0.00 0.00 176.91 180.02 1nf4 h GLU 23 N 0.63 0.46 -0.78 1.72 4.39 -0.42 -1.45 114.58 119.11 1nf4 h GLU 23 Ca 0.06 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1nf4 h GLU 23 Cb 0.92 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 1nf4 h GLU 23 CO 0.08 0.51 0.52 -0.07 -1.16 0.00 0.00 179.01 178.89 1nf4 h LEU 24 N 0.31 0.86 -0.19 1.33 3.38 -1.25 0.16 115.31 119.92 1nf4 h LEU 24 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nf4 h LEU 24 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1nf4 h LEU 24 CO -0.00 0.61 0.07 -0.74 0.09 0.00 0.00 178.44 178.47 1nf4 h HIS 25 N 1.01 0.29 -0.87 1.13 2.76 -1.18 -2.94 115.15 115.36 1nf4 h HIS 25 Ca 0.30 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1nf4 h HIS 25 Cb -0.04 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 1nf4 h HIS 25 CO -0.00 0.35 0.50 0.00 -1.30 0.00 0.00 177.93 177.49 1nf4 h ALA 26 N 0.91 1.24 0.10 5.26 0.00 -0.24 0.81 119.26 127.34 1nf4 h ALA 26 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nf4 h ALA 26 Cb 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1nf4 h ALA 26 CO -0.00 0.63 -0.26 0.82 0.00 0.00 0.00 179.25 180.44 1nf4 h ILE 27 N 1.21 0.43 -0.39 0.00 2.04 -0.99 0.24 117.51 120.05 1nf4 h ILE 27 Ca 0.31 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.13 1nf4 h ILE 27 Cb -0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1nf4 h ILE 27 CO -0.05 0.00 0.08 0.45 0.00 0.00 0.00 178.15 178.63 1nf4 h HIS 28 N -0.45 0.67 0.32 1.37 3.86 -1.26 -0.45 115.15 119.21 1nf4 h HIS 28 Ca 0.03 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1nf4 h HIS 28 Cb 0.49 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1nf4 h HIS 28 CO -0.24 0.66 -0.15 0.37 0.86 0.00 0.00 177.93 179.42 1nf4 h GLN 29 N 0.49 -0.42 -0.10 2.45 5.75 -0.76 0.39 115.11 122.92 1nf4 h GLN 29 Ca 0.12 0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.53 1nf4 h GLN 29 Cb 0.33 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1nf4 h GLN 29 CO 0.00 -0.27 -0.47 1.88 -2.65 0.00 0.00 178.83 177.32 1nf4 h TYR 30 N -0.44 0.29 -0.08 3.99 0.99 -0.50 -2.42 116.97 118.80 1nf4 h TYR 30 Ca -0.04 -0.09 -0.12 0.00 2.00 0.00 0.00 58.73 60.47 1nf4 h TYR 30 Cb 0.34 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.00 1nf4 h TYR 30 CO -0.05 0.67 -0.51 0.52 -0.00 0.00 0.00 178.16 178.79 1nf4 h MET 31 N 0.19 0.21 -0.34 4.88 2.86 -0.98 -0.71 114.93 121.04 1nf4 h MET 31 Ca 0.01 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1nf4 h MET 31 Cb 0.91 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1nf4 h MET 31 CO 0.07 0.68 0.11 -0.97 1.06 0.00 0.00 176.91 177.86 1nf4 h ASN 32 N 0.17 0.11 -0.58 1.22 -1.24 -0.48 -1.02 115.58 113.75 1nf4 h ASN 32 Ca 0.01 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.00 1nf4 h ASN 32 Cb 0.96 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 1nf4 h ASN 32 CO 0.08 0.10 0.16 1.56 -1.29 0.00 0.00 177.43 178.04 1nf4 h GLN 33 N 0.25 0.96 -0.36 6.67 4.20 -1.13 -2.47 115.11 123.22 1nf4 h GLN 33 Ca 0.16 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1nf4 h GLN 33 Cb 0.14 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1nf4 h GLN 33 CO -0.17 0.85 0.12 1.25 -0.67 0.00 0.00 178.83 180.20 1nf4 h HIS 34 N 0.92 0.20 -0.82 2.96 2.76 -0.74 0.18 115.15 120.61 1nf4 h HIS 34 Ca 0.20 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1nf4 h HIS 34 Cb 0.31 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1nf4 h HIS 34 CO 0.02 0.08 0.50 1.88 -1.30 0.00 0.00 177.93 179.11 1nf4 h TYR 35 N 0.26 1.08 -0.31 5.26 0.99 -0.82 -0.82 116.97 122.62 1nf4 h TYR 35 Ca 0.17 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 1nf4 h TYR 35 Cb 0.16 -0.36 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 1nf4 h TYR 35 CO -0.15 0.71 -0.10 0.77 -0.00 0.00 0.00 178.16 179.39 1nf4 h SER 36 N 1.13 0.61 0.02 3.88 0.02 -0.94 -1.52 113.55 116.76 1nf4 h SER 36 Ca 0.30 -0.38 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1nf4 h SER 36 Cb -0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1nf4 h SER 36 CO -0.06 0.85 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.18 1nf4 h LEU 37 N 0.37 0.36 0.03 5.07 3.38 -0.29 -0.54 115.31 123.70 1nf4 h LEU 37 Ca 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nf4 h LEU 37 Cb 0.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nf4 h LEU 37 CO 0.03 0.61 -0.02 -0.78 0.09 0.00 0.00 178.44 178.38 1nf4 h ASP 38 N 0.33 -0.04 -0.62 -0.43 3.58 -1.11 0.83 116.42 118.96 1nf4 h ASP 38 Ca 0.05 -0.28 0.13 0.00 0.42 0.00 0.00 57.03 57.35 1nf4 h ASP 38 Cb 0.61 0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.57 1nf4 h ASP 38 CO 0.04 0.26 0.09 -0.78 -2.88 0.00 0.00 179.24 175.97 1nf4 h ASP 39 N -0.33 -0.09 0.42 2.28 3.58 -0.96 0.51 116.42 121.83 1nf4 h ASP 39 Ca -0.00 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1nf4 h ASP 39 Cb 0.31 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1nf4 h ASP 39 CO 0.01 -0.04 0.00 0.23 -2.88 0.00 0.00 179.24 176.56 1nf4 n MET 40 N -5.19 0.09 -3.35 0.28 2.81 -0.24 -4.91 117.12 106.62 1nf4 n MET 40 Ca 0.10 0.42 -0.18 0.00 -1.81 0.00 0.00 57.70 56.23 1nf4 n MET 40 Cb 0.35 -1.71 0.08 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.89 -3.69 -3.98 7.83 2.03 0.18 -4.93 116.55 112.11 1nf4 n ASP 41 Ca 0.02 -0.51 -0.37 0.00 0.52 0.00 0.00 54.79 54.45 1nf4 n ASP 41 Cb 0.14 -4.53 -0.05 0.00 -0.72 0.00 0.00 41.12 35.96 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 -4.16 3.81 -0.13 -0.67 0.53 0.17 -2.22 117.16 114.48 1nf4 n TYR 42 Ca -0.14 -3.80 -0.12 0.00 -1.02 0.00 0.00 57.90 52.81 1nf4 n TYR 42 Cb 0.61 -1.10 -0.09 0.00 -1.03 0.00 0.00 39.34 37.73 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 5.59 -1.11 1.17 2.72 0.00 -1.68 0.13 103.07 109.89 1nf4 h GLY 43 Ca 0.18 0.74 -0.02 0.00 0.00 0.00 0.00 47.33 48.23 1nf4 h GLY 43 CO 0.97 -0.18 0.42 -2.09 0.00 0.00 0.00 176.54 175.65 1nf4 h GLU 44 N -0.35 1.08 -0.26 4.80 4.81 -1.73 0.68 114.58 123.61 1nf4 h GLU 44 Ca 0.07 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1nf4 h GLU 44 Cb 0.53 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1nf4 h GLU 44 CO -0.54 0.80 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.43 1nf4 h LEU 45 N 1.09 0.48 -0.45 1.64 3.38 -1.80 -1.24 115.31 118.40 1nf4 h LEU 45 Ca 0.27 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1nf4 h LEU 45 Cb 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1nf4 h LEU 45 CO -0.04 0.72 0.27 0.00 0.09 0.00 0.00 178.44 179.48 1nf4 h ALA 46 N 0.78 0.58 -0.45 1.53 0.00 -0.28 -1.85 119.26 119.56 1nf4 h ALA 46 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 46 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nf4 h ALA 46 CO 0.02 -0.04 0.12 0.00 0.00 0.00 0.00 179.25 179.36 1nf4 h ALA 47 N 1.20 0.59 -0.07 0.00 0.00 -0.76 -2.21 119.26 118.02 1nf4 h ALA 47 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 47 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 47 CO -0.08 0.26 -0.49 -0.91 0.00 0.00 0.00 179.25 178.03 1nf4 h ASN 48 N 0.59 0.18 -0.24 0.00 2.35 -1.14 -1.28 115.58 116.05 1nf4 h ASN 48 Ca 0.14 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1nf4 h ASN 48 Cb 0.30 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1nf4 h ASN 48 CO -0.00 0.65 0.15 -0.03 -1.65 0.00 0.00 177.43 176.55 1nf4 h MET 49 N 0.14 0.31 -0.38 0.81 4.05 -1.09 -0.25 114.93 118.51 1nf4 h MET 49 Ca 0.00 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1nf4 h MET 49 Cb 0.92 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.64 1nf4 h MET 49 CO 0.07 0.20 -0.14 -0.22 0.23 0.00 0.00 176.91 177.05 1nf4 h LYS 50 N 0.32 0.70 -0.74 0.39 3.64 -1.23 -1.23 116.57 118.42 1nf4 h LYS 50 Ca 0.09 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1nf4 h LYS 50 Cb -0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1nf4 h LYS 50 CO -0.03 0.81 0.22 -0.07 -2.27 0.00 0.00 179.45 178.11 1nf4 h LEU 51 N 0.63 1.10 -0.66 5.20 3.38 -0.88 -0.41 115.31 123.66 1nf4 h LEU 51 Ca 0.10 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1nf4 h LEU 51 Cb 0.60 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nf4 h LEU 51 CO 0.04 1.02 -0.23 0.40 0.09 0.00 0.00 178.44 179.76 1nf4 h ILE 52 N 1.11 1.27 -0.99 1.22 2.04 -0.81 -1.85 117.51 119.50 1nf4 h ILE 52 Ca 0.24 -1.36 0.09 0.00 1.00 0.00 0.00 64.86 64.83 1nf4 h ILE 52 Cb 0.33 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1nf4 h ILE 52 CO -0.00 0.45 0.64 0.00 0.00 0.00 0.00 178.15 179.24 1nf4 h ALA 53 N 1.04 1.46 -0.18 1.87 0.00 -0.85 -0.92 119.26 121.69 1nf4 h ALA 53 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1nf4 h ALA 53 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nf4 h ALA 53 CO 0.06 0.35 -0.39 0.82 0.00 0.00 0.00 179.25 180.09 1nf4 h ILE 54 N 1.09 1.30 -0.64 0.00 2.04 -0.73 0.08 117.51 120.65 1nf4 h ILE 54 Ca 0.45 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.85 1nf4 h ILE 54 Cb 0.30 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1nf4 h ILE 54 CO -0.20 0.46 0.37 0.44 0.00 0.00 0.00 178.15 179.22 1nf4 h ASP 55 N 0.34 0.57 0.15 1.72 3.32 -0.53 -1.70 116.42 120.29 1nf4 h ASP 55 Ca 0.03 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1nf4 h ASP 55 Cb 0.83 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1nf4 h ASP 55 CO 0.07 0.38 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.35 1nf4 h GLU 56 N 0.71 0.23 -0.89 3.56 4.39 0.15 -1.13 114.58 121.59 1nf4 h GLU 56 Ca 0.28 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1nf4 h GLU 56 Cb 0.12 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1nf4 h GLU 56 CO -0.15 0.52 0.49 0.52 -1.16 0.00 0.00 179.01 179.22 1nf4 h MET 57 N 0.21 1.25 -0.46 2.33 2.86 -0.61 -1.25 114.93 119.26 1nf4 h MET 57 Ca 0.03 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1nf4 h MET 57 Cb 0.64 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1nf4 h MET 57 CO 0.05 0.91 -0.14 0.00 1.06 0.00 0.00 176.91 178.79 1nf4 h ARG 58 N 1.25 0.86 -0.04 1.72 3.08 -0.52 -0.51 114.38 120.22 1nf4 h ARG 58 Ca 0.31 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nf4 h ARG 58 Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1nf4 h ARG 58 CO -0.05 0.94 0.01 0.45 -1.07 0.00 0.00 179.97 180.26 1nf4 h HIS 59 N 0.77 0.07 -0.66 3.04 3.86 -0.92 0.21 115.15 121.52 1nf4 h HIS 59 Ca 0.12 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.44 1nf4 h HIS 59 Cb 0.65 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.02 1nf4 h HIS 59 CO 0.04 0.23 0.23 0.00 0.86 0.00 0.00 177.93 179.28 1nf4 h ALA 60 N 0.83 0.86 -0.67 2.45 0.00 -1.09 0.79 119.26 122.44 1nf4 h ALA 60 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nf4 h ALA 60 Cb 0.19 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1nf4 h ALA 60 CO -0.00 -0.23 0.30 1.49 0.00 0.00 0.00 179.25 180.81 1nf4 h GLU 61 N 0.38 0.98 -0.30 0.00 4.81 -0.78 -1.27 114.58 118.40 1nf4 h GLU 61 Ca 0.35 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 1nf4 h GLU 61 Cb 0.49 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1nf4 h GLU 61 CO -0.37 0.80 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.35 1nf4 h ASN 62 N 0.94 0.85 -0.23 1.04 -0.26 0.19 -1.10 115.58 117.01 1nf4 h ASN 62 Ca 0.23 -0.41 -0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1nf4 h ASN 62 Cb 0.16 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1nf4 h ASN 62 CO -0.02 1.17 0.14 -0.26 -1.06 0.00 0.00 177.43 177.40 1nf4 h PHE 63 N 0.63 0.30 -0.84 1.19 0.05 -0.79 -1.62 116.94 115.87 1nf4 h PHE 63 Ca 0.04 -0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.88 1nf4 h PHE 63 Cb 1.02 -0.10 -0.06 0.00 2.00 0.00 0.00 35.95 38.81 1nf4 h PHE 63 CO 0.06 0.23 0.52 0.00 -0.18 0.00 0.00 178.31 178.94 1nf4 h ALA 64 N 1.05 1.13 -0.20 2.45 0.00 -1.07 -0.74 119.26 121.88 1nf4 h ALA 64 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1nf4 h ALA 64 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nf4 h ALA 64 CO -0.02 0.30 -0.39 0.93 0.00 0.00 0.00 179.25 180.07 1nf4 h GLU 65 N 0.98 0.45 -0.29 0.00 5.08 -0.89 -1.19 114.58 118.72 1nf4 h GLU 65 Ca 0.35 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1nf4 h GLU 65 Cb 0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1nf4 h GLU 65 CO -0.15 0.77 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.39 1nf4 h ARG 66 N 0.38 0.61 -0.36 2.33 9.65 -0.92 -2.07 114.38 124.00 1nf4 h ARG 66 Ca 0.04 -0.27 0.08 0.00 -1.10 0.00 0.00 59.98 58.72 1nf4 h ARG 66 Cb 0.85 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.34 1nf4 h ARG 66 CO 0.07 0.85 -0.14 0.82 2.80 0.00 0.00 179.97 184.37 1nf4 h ILE 67 N 0.36 0.53 -0.68 1.20 2.04 -0.89 -0.99 117.51 119.08 1nf4 h ILE 67 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1nf4 h ILE 67 Cb 0.67 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 1nf4 h ILE 67 CO 0.04 0.00 0.36 0.11 0.00 0.00 0.00 178.15 178.67 1nf4 h LYS 68 N -0.08 0.64 -0.35 2.37 1.79 -1.12 -0.12 116.57 119.70 1nf4 h LYS 68 Ca 0.18 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.70 1nf4 h LYS 68 Cb 0.35 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1nf4 h LYS 68 CO -0.41 0.42 0.25 0.93 -1.08 0.00 0.00 179.45 179.56 1nf4 h GLU 69 N 0.66 0.08 -0.22 3.15 5.08 -0.49 -0.68 114.58 122.16 1nf4 h GLU 69 Ca 0.31 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1nf4 h GLU 69 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nf4 h GLU 69 CO -0.21 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.13 1nf4 n LEU 70 N -4.45 2.41 0.00 1.33 4.77 -0.18 -4.93 117.00 115.95 1nf4 n LEU 70 Ca 0.05 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1nf4 n LEU 70 Cb 0.37 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1nf4 n LEU 70 CO 0.35 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1nf4 n GLY 71 N 1.29 0.50 0.00 -0.72 0.00 -0.26 -4.90 105.19 101.10 1nf4 n GLY 71 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.85 3.00 -0.02 0.00 -0.47 -4.98 105.19 101.70 1nf4 n GLY 72 Ca 0.00 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 1nf4 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf4 s GLU 73 N -1.38 2.13 0.15 1.61 2.56 -1.26 -4.22 118.70 118.29 1nf4 s GLU 73 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 54.97 53.94 1nf4 s GLU 73 Cb 0.00 -2.29 -0.08 0.00 2.00 0.00 0.00 34.13 33.76 1nf4 s GLU 73 CO 0.00 -0.35 1.34 -2.14 -0.56 0.00 0.00 175.26 173.55 1nf4 s PRO 74 N 1.44 4.36 0.66 4.30 0.02 -1.26 -4.98 135.00 139.53 1nf4 s PRO 74 Ca 0.01 2.04 -0.15 0.00 0.02 0.00 0.00 61.00 62.92 1nf4 s PRO 74 Cb -0.15 -3.23 -0.00 0.00 0.02 0.00 0.00 34.50 31.14 1nf4 s PRO 74 CO -0.09 -0.34 1.11 -0.08 -0.33 0.00 0.00 177.00 177.27 1nf4 s THR 75 N 0.66 3.21 -0.69 0.99 -1.32 -1.26 -4.98 115.64 112.25 1nf4 s THR 75 Ca 0.61 0.57 0.07 0.00 -1.21 0.00 0.00 61.69 61.72 1nf4 s THR 75 Cb -0.36 -3.10 0.12 0.00 -1.51 0.00 0.00 72.50 67.65 1nf4 s THR 75 CO 0.34 -0.34 0.94 0.35 -2.21 0.00 0.00 174.62 173.70 1nf4 n THR 76 N -2.37 0.53 -4.19 5.08 -2.24 -1.26 -4.90 114.28 104.93 1nf4 n THR 76 Ca 0.11 -0.76 -0.35 0.00 -2.27 0.00 0.00 64.05 60.77 1nf4 n THR 76 Cb 0.52 0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.79 3.43 0.52 -0.78 -1.52 -1.26 -5.08 119.66 114.18 1nf4 s GLN 77 Ca 0.11 -0.35 -0.18 0.00 -1.95 0.00 0.00 55.36 52.98 1nf4 s GLN 77 Cb 0.06 -3.00 -0.07 0.00 -0.22 0.00 0.00 33.01 29.79 1nf4 s GLN 77 CO 0.09 0.54 1.04 -1.59 -0.25 0.00 0.00 175.29 175.12 1nf4 s LYS 78 N -0.41 3.67 0.11 2.91 -2.85 -1.26 -4.45 119.74 117.46 1nf4 s LYS 78 Ca 0.09 1.26 -0.29 0.00 -1.00 0.00 0.00 55.97 56.03 1nf4 s LYS 78 Cb -0.12 -2.08 -0.06 0.00 -2.06 0.00 0.00 37.83 33.51 1nf4 s LYS 78 CO 0.02 -0.53 0.91 -2.00 0.10 0.00 0.00 175.35 173.85 1nf4 s GLU 79 N -3.59 4.66 1.54 1.78 2.56 0.14 -4.89 118.70 120.92 1nf4 s GLU 79 Ca 0.65 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.97 1nf4 s GLU 79 Cb -0.15 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.62 1nf4 s GLU 79 CO 0.26 0.28 0.00 0.41 -0.56 0.00 0.00 175.26 175.65 1nf4 n GLY 80 N 2.16 -1.21 3.56 -1.50 0.00 -1.26 -4.58 105.19 102.36 1nf4 n GLY 80 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.55 2.03 0.06 1.61 1.02 -1.26 -4.99 119.74 117.66 1nf4 s LYS 81 Ca 0.00 -1.28 -0.28 0.00 0.02 0.00 0.00 55.97 54.43 1nf4 s LYS 81 Cb 0.00 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1nf4 s LYS 81 CO 0.00 0.43 0.89 0.08 -0.92 0.00 0.00 175.35 175.83 1nf4 s VAL 82 N -1.68 4.68 -0.18 3.17 1.01 -1.26 -5.05 120.40 121.09 1nf4 s VAL 82 Ca 0.24 1.89 -0.21 0.00 0.00 0.00 0.00 61.98 63.91 1nf4 s VAL 82 Cb -0.09 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1nf4 s VAL 82 CO 0.15 0.29 0.63 -0.69 0.00 0.00 0.00 175.10 175.48 1nf4 s VAL 83 N 0.25 5.03 0.42 2.92 1.01 -1.26 -5.07 120.40 123.69 1nf4 s VAL 83 Ca 0.45 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.71 1nf4 s VAL 83 Cb -0.22 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1nf4 s VAL 83 CO 0.27 0.14 0.34 0.42 0.00 0.00 0.00 175.10 176.27 1nf4 s THR 84 N 1.71 2.56 -1.78 3.92 -4.23 -1.26 -4.65 115.64 111.91 1nf4 s THR 84 Ca 0.30 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1nf4 s THR 84 Cb -0.16 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1nf4 s THR 84 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1nf4 n GLY 85 N -1.50 0.69 3.74 3.99 0.00 -1.26 -4.97 105.19 105.88 1nf4 n GLY 85 Ca 0.03 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1nf4 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nf4 s GLN 86 N -4.26 4.53 0.65 1.61 -0.21 -1.26 -5.03 119.66 115.69 1nf4 s GLN 86 Ca 0.00 1.81 -0.11 0.00 0.02 0.00 0.00 55.36 57.08 1nf4 s GLN 86 Cb 0.00 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 1nf4 s GLN 86 CO 0.00 -0.02 1.04 0.00 -2.12 0.00 0.00 175.29 174.19 1nf4 s ALA 87 N -0.13 2.97 0.20 6.09 0.00 -1.26 -4.76 121.76 124.87 1nf4 s ALA 87 Ca 0.51 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.31 1nf4 s ALA 87 Cb -0.31 -3.10 0.27 0.00 0.00 0.00 0.00 23.12 19.98 1nf4 s ALA 87 CO 0.36 -0.87 1.71 0.28 0.00 0.00 0.00 175.76 177.24 1nf4 h VAL 88 N -0.45 0.68 -0.64 0.00 2.07 -1.99 0.92 116.25 116.83 1nf4 h VAL 88 Ca -0.44 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nf4 h VAL 88 Cb 1.20 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1nf4 h VAL 88 CO 0.61 0.05 0.39 -0.65 0.02 0.00 0.00 177.57 177.99 1nf4 h PRO 89 N 0.28 0.86 -0.12 1.57 0.11 -1.98 -2.80 132.00 129.92 1nf4 h PRO 89 Ca 0.30 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.15 1nf4 h PRO 89 Cb 0.43 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1nf4 h PRO 89 CO -0.37 0.60 -0.70 0.28 -0.21 0.00 0.00 178.00 177.61 1nf4 h VAL 90 N 0.88 1.34 -0.16 3.15 2.07 -1.52 -2.61 116.25 119.40 1nf4 h VAL 90 Ca 0.23 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.78 1nf4 h VAL 90 Cb -0.04 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1nf4 h VAL 90 CO -0.04 0.62 -0.26 0.40 0.02 0.00 0.00 177.57 178.31 1nf4 h ILE 91 N 0.37 0.39 0.01 4.57 2.04 -0.62 -0.97 117.51 123.30 1nf4 h ILE 91 Ca -0.03 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.62 1nf4 h ILE 91 Cb 1.28 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1nf4 h ILE 91 CO 0.13 0.00 -0.92 1.88 0.00 0.00 0.00 178.15 179.24 1nf4 h TYR 92 N -0.31 0.37 -0.12 1.37 -1.99 -1.54 -0.65 116.97 114.10 1nf4 h TYR 92 Ca 0.11 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1nf4 h TYR 92 Cb 0.47 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1nf4 h TYR 92 CO -0.37 1.04 0.03 1.49 -0.00 0.00 0.00 178.16 180.35 1nf4 h GLU 93 N 0.13 0.19 -0.45 4.88 4.81 -1.42 -1.95 114.58 120.78 1nf4 h GLU 93 Ca -0.06 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1nf4 h GLU 93 Cb 1.56 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 1nf4 h GLU 93 CO 0.15 0.34 -0.18 0.77 -0.73 0.00 0.00 179.01 179.36 1nf4 h SER 94 N 0.00 0.88 -0.51 1.04 0.02 -1.18 -1.97 113.55 111.83 1nf4 h SER 94 Ca 0.04 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 1nf4 h SER 94 Cb 0.24 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1nf4 h SER 94 CO -0.00 1.04 -0.02 0.44 -1.14 0.00 0.00 176.83 177.15 1nf4 h ASP 95 N 0.76 0.93 -0.24 3.07 5.19 -1.09 0.23 116.42 125.26 1nf4 h ASP 95 Ca 0.11 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1nf4 h ASP 95 Cb 0.71 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1nf4 h ASP 95 CO 0.05 1.00 0.16 0.00 -3.12 0.00 0.00 179.24 177.33 1nf4 h ALA 96 N 1.10 0.30 -0.22 3.45 0.00 -1.28 -1.07 119.26 121.54 1nf4 h ALA 96 Ca 0.16 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nf4 h ALA 96 Cb 0.54 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1nf4 h ALA 96 CO 0.03 -0.22 -0.14 -0.44 0.00 0.00 0.00 179.25 178.47 1nf4 h ASP 97 N 0.33 -0.47 -0.83 0.00 3.32 -0.82 -1.05 116.42 116.89 1nf4 h ASP 97 Ca 0.09 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1nf4 h ASP 97 Cb -0.04 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1nf4 h ASP 97 CO -0.02 -0.18 0.52 -0.61 -1.72 0.00 0.00 179.24 177.23 1nf4 h GLN 98 N -0.13 1.12 -0.33 3.56 4.15 -0.21 -0.98 115.11 122.29 1nf4 h GLN 98 Ca 0.13 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 1nf4 h GLN 98 Cb 0.32 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1nf4 h GLN 98 CO -0.31 0.77 -0.21 0.93 -1.93 0.00 0.00 178.83 178.09 1nf4 h GLU 99 N 1.15 0.73 -0.86 1.69 4.39 -0.72 0.07 114.58 121.02 1nf4 h GLU 99 Ca 0.30 -0.34 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1nf4 h GLU 99 Cb -0.07 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1nf4 h GLU 99 CO -0.06 0.95 0.53 0.22 -1.16 0.00 0.00 179.01 179.49 1nf4 h ASP 100 N 0.50 0.82 0.57 1.42 1.82 -0.88 -0.80 116.42 119.88 1nf4 h ASP 100 Ca 0.07 0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.59 1nf4 h ASP 100 Cb 0.76 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 1nf4 h ASP 100 CO 0.06 0.52 -0.66 0.00 -1.61 0.00 0.00 179.24 177.55 1nf4 h ALA 101 N 1.42 0.88 -0.21 -0.78 0.00 -0.83 -2.46 119.26 117.27 1nf4 h ALA 101 Ca 0.38 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1nf4 h ALA 101 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nf4 h ALA 101 CO -0.18 0.80 0.03 1.15 0.00 0.00 0.00 179.25 181.04 1nf4 h THR 102 N 0.05 1.23 -0.49 0.00 2.02 -0.25 -0.55 112.91 114.93 1nf4 h THR 102 Ca -0.01 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1nf4 h THR 102 Cb 1.17 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1nf4 h THR 102 CO 0.09 0.24 0.25 0.40 0.37 0.00 0.00 175.52 176.87 1nf4 h ILE 103 N 0.14 1.16 -0.13 3.11 2.04 -1.06 0.23 117.51 123.01 1nf4 h ILE 103 Ca 0.06 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1nf4 h ILE 103 Cb 0.33 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1nf4 h ILE 103 CO 0.01 0.18 -0.02 -0.33 0.00 0.00 0.00 178.15 177.98 1nf4 h GLU 104 N 0.68 0.23 0.11 2.37 4.39 -1.28 -0.70 114.58 120.37 1nf4 h GLU 104 Ca 0.17 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1nf4 h GLU 104 Cb 0.05 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1nf4 h GLU 104 CO -0.03 0.51 -0.06 0.00 -1.16 0.00 0.00 179.01 178.28 1nf4 h ALA 105 N 0.71 -0.15 -0.19 3.43 0.00 -0.36 -2.27 119.26 120.43 1nf4 h ALA 105 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1nf4 h ALA 105 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nf4 h ALA 105 CO 0.01 -0.59 -0.15 1.88 0.00 0.00 0.00 179.25 180.40 1nf4 h TYR 106 N -0.16 0.34 -0.39 0.00 -1.99 -0.58 -0.22 116.97 113.96 1nf4 h TYR 106 Ca -0.01 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.61 1nf4 h TYR 106 Cb 0.13 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1nf4 h TYR 106 CO -0.08 0.47 -0.01 0.77 -0.00 0.00 0.00 178.16 179.31 1nf4 h SER 107 N 0.30 0.60 -0.14 3.88 0.02 -0.81 -0.36 113.55 117.03 1nf4 h SER 107 Ca 0.06 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.68 1nf4 h SER 107 Cb 0.45 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.85 1nf4 h SER 107 CO 0.03 0.68 -0.70 1.56 -1.14 0.00 0.00 176.83 177.25 1nf4 h GLN 108 N 0.60 0.73 -0.89 3.45 1.08 -0.66 -3.01 115.11 116.40 1nf4 h GLN 108 Ca 0.12 -0.59 0.06 0.00 -1.45 0.00 0.00 58.65 56.80 1nf4 h GLN 108 Cb 0.39 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 1nf4 h GLN 108 CO 0.01 1.20 0.58 0.74 -0.95 0.00 0.00 178.83 180.42 1nf4 h PHE 109 N 0.43 1.03 -0.87 2.96 0.05 -0.61 -1.59 116.94 118.34 1nf4 h PHE 109 Ca -0.05 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.77 1nf4 h PHE 109 Cb 1.33 -0.34 -0.04 0.00 2.00 0.00 0.00 35.95 38.90 1nf4 h PHE 109 CO 0.09 0.54 0.54 1.25 -0.18 0.00 0.00 178.31 180.55 1nf4 h LEU 110 N 1.01 1.03 -0.45 1.54 6.46 -1.07 -1.86 115.31 121.97 1nf4 h LEU 110 Ca 0.38 -0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.14 1nf4 h LEU 110 Cb 0.20 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 1nf4 h LEU 110 CO -0.14 0.78 0.20 0.50 -0.62 0.00 0.00 178.44 179.16 1nf4 h LYS 111 N 1.20 0.39 -0.45 1.25 3.64 -1.16 -1.96 116.57 119.48 1nf4 h LYS 111 Ca 0.31 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1nf4 h LYS 111 Cb -0.07 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1nf4 h LYS 111 CO -0.06 0.26 0.24 0.28 -2.27 0.00 0.00 179.45 177.90 1nf4 h VAL 112 N 0.40 0.99 -0.40 2.00 2.07 -0.98 -0.18 116.25 120.16 1nf4 h VAL 112 Ca 0.20 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1nf4 h VAL 112 Cb 0.15 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1nf4 h VAL 112 CO -0.17 0.09 0.06 0.00 0.02 0.00 0.00 177.57 177.56 1nf4 h LYS 114 N 0.18 0.76 -0.56 0.00 1.57 -0.99 0.39 116.57 117.92 1nf4 h LYS 114 Ca 0.19 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1nf4 h LYS 114 Cb 0.25 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1nf4 h LYS 114 CO -0.28 0.57 0.37 0.93 -0.57 0.00 0.00 179.45 180.47 1nf4 h GLU 115 N 0.75 0.70 -0.17 3.15 5.08 -0.30 -0.38 114.58 123.41 1nf4 h GLU 115 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nf4 h GLU 115 Cb 0.01 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1nf4 h GLU 115 CO -0.03 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.48 1nf4 n GLN 116 N -4.46 1.66 -3.19 2.33 1.13 0.12 -4.92 117.38 110.06 1nf4 n GLN 116 Ca 0.06 -0.99 -0.20 0.00 -1.94 0.00 0.00 57.00 53.93 1nf4 n GLN 116 Cb 0.08 -1.36 0.05 0.00 0.11 0.00 0.00 30.24 29.11 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 1.08 -0.34 3.10 1.08 0.00 -0.15 -4.92 105.19 105.03 1nf4 n GLY 117 Ca 0.15 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.02 5.45 0.20 1.61 -1.08 0.12 -4.93 116.67 115.01 1nf4 s ASP 118 Ca 0.39 -3.10 -0.09 0.00 -0.52 0.00 0.00 52.55 49.23 1nf4 s ASP 118 Cb -0.17 -1.87 0.12 0.00 -1.46 0.00 0.00 42.92 39.54 1nf4 s ASP 118 CO 0.48 -0.32 1.73 0.40 0.52 0.00 0.00 175.17 177.99 1nf4 h ILE 119 N 4.93 1.26 -0.30 4.11 1.08 -1.93 -1.79 117.51 124.86 1nf4 h ILE 119 Ca 0.04 -0.90 -0.05 0.00 -0.39 0.00 0.00 64.86 63.56 1nf4 h ILE 119 Cb 0.91 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1nf4 h ILE 119 CO 0.75 0.35 0.01 0.58 -0.69 0.00 0.00 178.15 179.14 1nf4 h VAL 120 N 1.06 1.25 -0.41 1.67 2.07 -1.97 -1.16 116.25 118.77 1nf4 h VAL 120 Ca 0.23 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 1nf4 h VAL 120 Cb 0.30 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1nf4 h VAL 120 CO -0.01 0.30 -0.22 0.74 0.02 0.00 0.00 177.57 178.40 1nf4 h THR 121 N 0.33 1.27 -0.72 2.57 2.02 -1.95 -2.24 112.91 114.18 1nf4 h THR 121 Ca 0.09 -1.35 0.03 0.00 0.77 0.00 0.00 66.41 65.95 1nf4 h THR 121 Cb 0.42 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1nf4 h THR 121 CO 0.01 0.45 0.45 0.00 0.37 0.00 0.00 175.52 176.81 1nf4 h ALA 122 N 1.03 0.95 -0.32 6.16 0.00 -1.12 -1.50 119.26 124.47 1nf4 h ALA 122 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 122 Cb 0.75 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1nf4 h ALA 122 CO 0.06 0.23 -0.14 -0.09 0.00 0.00 0.00 179.25 179.31 1nf4 h ARG 123 N 0.88 0.55 -0.59 0.00 9.65 -1.02 -1.89 114.38 121.97 1nf4 h ARG 123 Ca 0.29 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1nf4 h ARG 123 Cb 0.03 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 1nf4 h ARG 123 CO -0.11 0.68 0.36 1.25 2.80 0.00 0.00 179.97 184.94 1nf4 h LEU 124 N 0.51 0.59 -0.89 3.80 5.85 -0.78 -0.11 115.31 124.27 1nf4 h LEU 124 Ca 0.09 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1nf4 h LEU 124 Cb 0.54 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1nf4 h LEU 124 CO 0.03 0.41 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.19 1nf4 h PHE 125 N 0.71 0.77 -0.41 1.25 -1.00 -0.90 -1.91 116.94 115.45 1nf4 h PHE 125 Ca 0.24 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 1nf4 h PHE 125 Cb 0.02 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 1nf4 h PHE 125 CO -0.06 0.78 0.06 1.49 -1.61 0.00 0.00 178.31 178.98 1nf4 h GLU 126 N 0.65 0.69 -0.52 1.51 4.81 -0.94 0.68 114.58 121.46 1nf4 h GLU 126 Ca 0.11 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1nf4 h GLU 126 Cb 0.55 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1nf4 h GLU 126 CO 0.03 0.73 0.10 0.00 -0.73 0.00 0.00 179.01 179.14 1nf4 h ARG 127 N 0.54 0.86 -0.19 1.92 3.08 -0.92 -2.75 114.38 116.92 1nf4 h ARG 127 Ca 0.13 -0.23 -0.19 0.00 0.07 0.00 0.00 59.98 59.77 1nf4 h ARG 127 Cb 0.38 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1nf4 h ARG 127 CO 0.01 0.84 -0.63 0.82 -1.07 0.00 0.00 179.97 179.94 1nf4 h ILE 128 N 0.75 1.31 -0.96 2.04 2.04 -1.21 -3.03 117.51 118.44 1nf4 h ILE 128 Ca 0.16 -1.87 0.08 0.00 1.00 0.00 0.00 64.86 64.23 1nf4 h ILE 128 Cb 0.39 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 1nf4 h ILE 128 CO 0.01 0.59 0.61 0.40 0.00 0.00 0.00 178.15 179.76 1nf4 h ILE 129 N 0.50 1.03 -0.31 -0.67 2.04 -0.82 0.00 117.51 119.27 1nf4 h ILE 129 Ca -0.01 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1nf4 h ILE 129 Cb 1.21 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1nf4 h ILE 129 CO 0.12 0.19 -0.06 -0.33 0.00 0.00 0.00 178.15 178.08 1nf4 h GLU 130 N 1.07 0.50 -0.57 2.37 5.08 -1.38 -0.42 114.58 121.23 1nf4 h GLU 130 Ca 0.44 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1nf4 h GLU 130 Cb 0.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nf4 h GLU 130 CO -0.20 0.57 -0.05 0.93 -1.00 0.00 0.00 179.01 179.26 1nf4 h GLU 131 N 0.47 1.04 -0.26 2.33 5.08 -1.00 -2.62 114.58 119.62 1nf4 h GLU 131 Ca 0.10 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1nf4 h GLU 131 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1nf4 h GLU 131 CO 0.02 1.05 -0.13 0.93 -1.00 0.00 0.00 179.01 179.87 1nf4 h GLU 132 N 0.94 0.43 -0.80 2.33 4.39 -0.43 -1.22 114.58 120.22 1nf4 h GLU 132 Ca 0.16 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1nf4 h GLU 132 Cb 0.61 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 1nf4 h GLU 132 CO 0.04 0.56 0.53 0.37 -1.16 0.00 0.00 179.01 179.35 1nf4 h GLN 133 N 0.40 1.01 -0.36 2.33 5.75 -0.80 -0.51 115.11 122.93 1nf4 h GLN 133 Ca 0.07 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.40 1nf4 h GLN 133 Cb 0.48 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1nf4 h GLN 133 CO 0.03 0.67 -0.23 0.00 -2.65 0.00 0.00 178.83 176.64 1nf4 h ALA 134 N 1.52 0.92 -0.39 3.38 0.00 -0.90 -1.36 119.26 122.42 1nf4 h ALA 134 Ca 0.30 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1nf4 h ALA 134 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nf4 h ALA 134 CO -0.08 0.62 0.14 0.45 0.00 0.00 0.00 179.25 180.38 1nf4 h HIS 135 N 0.62 0.62 -0.18 0.00 3.86 -0.70 -2.10 115.15 117.27 1nf4 h HIS 135 Ca 0.09 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1nf4 h HIS 135 Cb 0.73 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1nf4 h HIS 135 CO 0.03 0.57 0.11 1.25 0.86 0.00 0.00 177.93 180.75 1nf4 h LEU 136 N 0.49 0.21 -0.75 2.43 5.85 -0.93 -0.79 115.31 121.82 1nf4 h LEU 136 Ca 0.13 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1nf4 h LEU 136 Cb 0.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1nf4 h LEU 136 CO -0.01 0.19 0.49 0.74 -0.34 0.00 0.00 178.44 179.51 1nf4 h THR 137 N 0.22 1.15 -0.04 1.05 2.02 -1.25 0.30 112.91 116.37 1nf4 h THR 137 Ca 0.06 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1nf4 h THR 137 Cb 0.01 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1nf4 h THR 137 CO -0.01 0.18 -0.02 0.22 0.37 0.00 0.00 175.52 176.26 1nf4 h TYR 138 N 0.98 -0.03 -0.41 3.16 3.20 -0.96 -1.44 116.97 121.46 1nf4 h TYR 138 Ca 0.29 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.06 1nf4 h TYR 138 Cb -0.06 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1nf4 h TYR 138 CO -0.03 -0.03 -0.17 1.88 -1.64 0.00 0.00 178.16 178.18 1nf4 h TYR 139 N -0.01 0.88 -0.80 -3.82 0.99 -0.65 -1.70 116.97 111.86 1nf4 h TYR 139 Ca 0.02 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1nf4 h TYR 139 Cb 0.04 -0.22 -0.04 0.00 1.00 0.00 0.00 36.73 37.51 1nf4 h TYR 139 CO -0.11 0.90 0.52 0.93 -0.00 0.00 0.00 178.16 180.39 1nf4 h GLU 140 N 0.70 1.06 -0.21 4.88 5.08 -0.86 -0.18 114.58 125.05 1nf4 h GLU 140 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1nf4 h GLU 140 Cb 0.67 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1nf4 h GLU 140 CO 0.05 0.72 0.09 -0.91 -1.00 0.00 0.00 179.01 177.95 1nf4 h ASN 141 N 1.09 0.28 -0.30 1.42 2.35 -0.81 0.44 115.58 120.06 1nf4 h ASN 141 Ca 0.29 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1nf4 h ASN 141 Cb -0.10 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1nf4 h ASN 141 CO -0.06 0.36 0.09 0.40 -1.65 0.00 0.00 177.43 176.57 1nf4 h ILE 142 N 0.19 1.21 -0.87 2.81 1.08 -1.14 -1.54 117.51 119.24 1nf4 h ILE 142 Ca 0.07 -0.67 0.15 0.00 -0.39 0.00 0.00 64.86 64.03 1nf4 h ILE 142 Cb 0.16 1.08 -0.10 0.00 -3.07 0.00 0.00 36.82 34.89 1nf4 h ILE 142 CO -0.01 0.22 0.46 1.23 -0.69 0.00 0.00 178.15 179.36 1nf4 h GLY 143 N 0.32 1.43 1.67 5.37 0.00 -0.88 0.32 103.07 111.30 1nf4 h GLY 143 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 1nf4 h GLY 143 CO -0.00 -0.04 -0.47 0.23 0.00 0.00 0.00 176.54 176.26 1nf4 h SER 144 N 0.64 0.38 -0.32 0.19 0.87 -0.54 -1.89 113.55 112.88 1nf4 h SER 144 Ca 0.48 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.72 1nf4 h SER 144 Cb 0.68 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1nf4 h SER 144 CO -0.37 0.80 -0.33 0.45 -0.53 0.00 0.00 176.83 176.85 1nf4 h HIS 145 N 0.29 0.94 -0.27 2.24 -0.00 -0.13 -0.82 115.15 117.40 1nf4 h HIS 145 Ca 0.02 -0.29 -0.08 0.00 -0.00 0.00 0.00 60.37 60.02 1nf4 h HIS 145 Cb 0.94 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 1nf4 h HIS 145 CO 0.02 1.06 -0.17 0.82 -0.00 0.00 0.00 177.93 179.66 1nf4 h ILE 146 N 0.55 1.24 0.29 2.45 2.04 -0.93 0.05 117.51 123.20 1nf4 h ILE 146 Ca 0.05 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1nf4 h ILE 146 Cb 0.91 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1nf4 h ILE 146 CO 0.08 0.36 -0.14 0.11 0.00 0.00 0.00 178.15 178.56 1nf4 h LYS 147 N 0.43 -0.37 0.00 2.37 1.57 -1.27 -1.75 116.57 117.55 1nf4 h LYS 147 Ca 0.07 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1nf4 h LYS 147 Cb 0.56 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1nf4 h LYS 147 CO 0.04 -0.04 0.00 -0.91 -0.57 0.00 0.00 179.45 177.97 1nf4 h ASN 148 N -0.79 0.00 0.00 0.86 2.35 -1.10 -3.37 115.58 113.53 1nf4 h ASN 148 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1nf4 h ASN 148 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1nf4 h ASN 148 CO 0.07 0.00 -0.43 0.18 -1.65 0.00 0.00 177.43 175.60 1nf4 n LEU 149 N -3.06 0.00 0.00 1.61 4.77 -0.01 -5.08 117.00 115.24 1nf4 n LEU 149 Ca 0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1nf4 n LEU 149 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1nf4 n LEU 149 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1nf4 n GLY 150 N 1.18 3.34 0.24 -0.72 0.00 -0.66 -2.20 105.19 106.37 1nf4 n GLY 150 Ca 0.00 0.12 0.12 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 0.19 1.61 5.19 -1.93 -2.25 116.42 119.22 1nf4 h ASP 151 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1nf4 h ASP 151 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1nf4 h ASP 151 CO 0.00 0.14 -0.53 0.74 -3.12 0.00 0.00 179.24 176.47 1nf4 h THR 152 N 0.00 1.34 -0.20 0.35 2.02 -1.86 -0.98 112.91 113.59 1nf4 h THR 152 Ca -0.00 -1.79 -0.10 0.00 0.77 0.00 0.00 66.41 65.29 1nf4 h THR 152 Cb 0.71 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1nf4 h THR 152 CO 0.02 0.54 -0.25 0.22 0.37 0.00 0.00 175.52 176.42 1nf4 h TYR 153 N 0.29 0.63 -0.39 3.16 3.20 -1.47 -3.16 116.97 119.24 1nf4 h TYR 153 Ca 0.01 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 1nf4 h TYR 153 Cb 1.03 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1nf4 h TYR 153 CO 0.03 0.90 0.10 -0.07 -1.64 0.00 0.00 178.16 177.48 1nf4 h LEU 154 N 0.19 0.52 -1.39 2.82 3.38 -1.47 -2.18 115.31 117.18 1nf4 h LEU 154 Ca 0.02 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1nf4 h LEU 154 Cb 0.82 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1nf4 h LEU 154 CO 0.06 0.52 0.44 0.00 0.09 0.00 0.00 178.44 179.55 1nf4 h ALA 155 N 1.56 1.64 -0.11 1.53 0.00 -1.14 0.11 119.26 122.85 1nf4 h ALA 155 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 155 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nf4 h ALA 155 CO -0.00 0.29 -0.29 -0.22 0.00 0.00 0.00 179.25 179.02 1nf4 h LYS 156 N 0.79 0.20 0.00 0.00 3.64 -1.38 -3.14 116.57 116.68 1nf4 h LYS 156 Ca 0.27 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1nf4 h LYS 156 Cb 0.09 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1nf4 h LYS 156 CO -0.08 0.48 -0.82 0.82 -2.27 0.00 0.00 179.45 177.58 1nf4 h ILE 157 N 0.18 0.16 -2.08 2.00 1.08 -0.76 -3.44 117.51 114.64 1nf4 h ILE 157 Ca 0.03 -1.27 -0.61 0.00 -0.39 0.00 0.00 64.86 62.61 1nf4 h ILE 157 Cb 0.61 1.77 0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1nf4 h ILE 157 CO 0.04 0.09 0.96 0.00 -0.69 0.00 0.00 178.15 178.55 1nf4 n ALA 158 N -2.20 0.94 -0.99 1.87 0.00 -0.05 -1.82 120.51 118.25 1nf4 n ALA 158 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1nf4 n ALA 158 Cb 0.61 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 3.96 0.74 3.75 0.00 0.00 -0.94 -4.99 105.19 107.71 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 -3.01 3.13 0.54 2.61 -4.23 -0.76 -4.94 115.64 108.99 1nf4 s THR 160 Ca 0.00 0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 60.66 1nf4 s THR 160 Cb 0.00 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1nf4 s THR 160 CO 0.00 -0.48 1.31 -2.65 -0.54 0.00 0.00 174.62 172.26 1nf4 n PRO 161 N -3.64 1.63 -0.04 3.99 -0.02 -1.26 -3.92 135.00 131.74 1nf4 n PRO 161 Ca 0.09 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1nf4 n PRO 161 Cb 0.53 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.86 2.19 -4.77 2.55 3.41 -1.26 -2.81 113.62 112.08 1nf4 n SER 162 Ca 0.10 -2.20 -0.41 0.00 -0.26 0.00 0.00 58.87 56.11 1nf4 n SER 162 Cb 0.44 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.32 6.78 -0.06 4.04 0.15 -1.26 -4.42 113.70 117.60 1nf4 s SER 163 Ca 0.08 2.67 0.13 0.00 0.70 0.00 0.00 55.95 59.53 1nf4 s SER 163 Cb 0.06 -2.65 0.39 0.00 -1.71 0.00 0.00 66.02 62.12 1nf4 s SER 163 CO 0.02 -0.54 1.32 0.35 1.20 0.00 0.00 173.24 175.59 1nf4 n THR 164 N 0.96 1.44 0.00 6.45 -2.24 -1.26 -4.91 114.28 114.72 1nf4 n THR 164 Ca 0.01 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1nf4 n THR 164 Cb 0.42 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.19 -0.82 3.61 3.38 0.00 -1.26 -5.03 105.19 105.25 1nf4 n GLY 165 Ca 0.15 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nf4 n THR 166 N 0.00 3.68 -2.13 2.61 -2.24 -1.26 -4.92 114.28 110.02 1nf4 n THR 166 Ca 0.00 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 1nf4 n THR 166 Cb 0.00 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf4 s ALA 167 N -1.55 3.00 -0.40 6.98 0.00 -1.26 -4.86 121.76 123.68 1nf4 s ALA 167 Ca 0.76 1.07 -0.24 0.00 0.00 0.00 0.00 51.96 53.55 1nf4 s ALA 167 Cb -0.41 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 1nf4 s ALA 167 CO 0.47 -0.83 1.42 -1.13 0.00 0.00 0.00 175.76 175.69 1nf4 n SER 168 N -0.45 0.37 -4.70 0.00 3.41 -1.26 -4.87 113.62 106.12 1nf4 n SER 168 Ca 0.07 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.58 1nf4 n SER 168 Cb 0.46 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1nf4 n SER 168 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nf4 n LYS 169 N 4.78 2.81 -0.43 4.33 3.00 -1.26 -4.94 118.16 126.46 1nf4 n LYS 169 Ca 0.36 1.02 0.00 0.00 -0.00 0.00 0.00 58.31 59.69 1nf4 n LYS 169 Cb -0.01 -2.90 0.00 0.00 0.00 0.00 0.00 35.03 32.12 1nf4 n LYS 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nf4 n GLY 170 N 4.15 5.73 0.08 3.14 0.00 -1.26 -5.10 105.19 111.93 1nf4 n GLY 170 Ca 0.17 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 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 0.21 0.00 0.00 1.61 3.57 -2.05 -3.56 116.94 116.72 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 1.07 0.00 1.33 -2.23 0.00 0.00 178.31 178.48