#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ff0 n LEU 2 N 0.00 0.00 -0.78 0.99 4.77 -1.26 -3.91 117.00 116.81 3ff0 n LEU 2 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3ff0 n LEU 2 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 3ff0 n LEU 2 CO 0.00 0.00 0.72 0.47 -1.33 0.00 0.00 177.39 177.25 3ff0 n ASP 3 N 0.00 2.45 -0.31 -1.43 8.00 -1.26 -4.62 116.55 119.38 3ff0 n ASP 3 Ca 0.00 -1.81 0.22 0.00 0.71 0.00 0.00 54.79 53.91 3ff0 n ASP 3 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.61 3ff0 n ASP 3 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ff0 h ASN 4 N 3.84 0.44 -0.64 -2.24 2.35 -2.06 -0.26 115.58 117.01 3ff0 h ASN 4 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3ff0 h ASN 4 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3ff0 h ASN 4 CO 0.00 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 175.89 3ff0 n ALA 5 N -2.48 2.51 -2.53 -0.83 0.00 -1.26 -4.94 120.51 110.97 3ff0 n ALA 5 Ca 0.24 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.08 3ff0 n ALA 5 Cb 0.84 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 3ff0 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ff0 s ILE 6 N -1.25 4.38 0.27 0.00 1.01 -0.11 -4.97 121.20 120.52 3ff0 s ILE 6 Ca 0.44 1.70 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 3ff0 s ILE 6 Cb 0.24 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 3ff0 s ILE 6 CO 0.28 0.09 1.40 -2.16 0.00 0.00 0.00 174.94 174.56 3ff0 s PRO 7 N 1.39 4.29 0.43 2.79 0.04 -1.26 -5.01 135.00 137.67 3ff0 s PRO 7 Ca 0.55 2.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.78 3ff0 s PRO 7 Cb -0.25 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 3ff0 s PRO 7 CO 0.26 -0.36 0.77 -0.65 0.04 0.00 0.00 177.00 177.06 3ff0 s GLN 8 N -0.70 3.68 0.81 4.56 -1.52 -1.26 -5.00 119.66 120.23 3ff0 s GLN 8 Ca 0.57 0.35 0.00 0.00 -1.95 0.00 0.00 55.36 54.33 3ff0 s GLN 8 Cb -0.41 -2.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 3ff0 s GLN 8 CO 0.46 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.81 3ff0 n GLY 9 N -1.65 -1.93 3.29 3.09 0.00 -1.26 -5.00 105.19 101.73 3ff0 n GLY 9 Ca 0.02 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 3ff0 n GLY 9 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ff0 s PHE 10 N 0.00 1.71 -1.73 1.61 0.08 -1.26 -5.06 117.98 113.32 3ff0 s PHE 10 Ca 0.00 -0.46 0.22 0.00 0.12 0.00 0.00 56.93 56.82 3ff0 s PHE 10 Cb 0.00 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3ff0 s PHE 10 CO 0.00 0.23 1.06 0.39 -0.10 0.00 0.00 175.22 176.80 3ff0 n GLU 11 N 0.76 0.85 -3.40 0.44 4.71 -1.26 -4.88 120.64 117.87 3ff0 n GLU 11 Ca -0.17 -0.70 -0.34 0.00 -0.01 0.00 0.00 57.16 55.93 3ff0 n GLU 11 Cb 0.55 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.44 3ff0 n GLU 11 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 3ff0 s ASP 12 N -2.63 6.76 -1.48 1.62 -4.77 -1.26 -4.57 116.67 110.34 3ff0 s ASP 12 Ca 0.16 1.01 -0.11 0.00 -3.30 0.00 0.00 52.55 50.31 3ff0 s ASP 12 Cb 0.18 -2.26 0.07 0.00 -1.09 0.00 0.00 42.92 39.81 3ff0 s ASP 12 CO 0.65 0.07 0.92 0.00 0.70 0.00 0.00 175.17 177.52 3ff0 n ALA 13 N 0.62 -1.45 -0.29 2.11 0.00 -1.26 -4.83 120.51 115.41 3ff0 n ALA 13 Ca -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3ff0 n ALA 13 Cb 0.52 -3.95 0.06 0.00 0.00 0.00 0.00 19.45 16.08 3ff0 n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ff0 h VAL 14 N -2.06 1.26 -0.62 0.00 2.07 -1.90 -0.22 116.25 114.79 3ff0 h VAL 14 Ca -0.59 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 3ff0 h VAL 14 Cb 1.37 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3ff0 h VAL 14 CO 0.65 0.33 0.16 -0.33 0.02 0.00 0.00 177.57 178.40 3ff0 h GLU 15 N 1.13 0.98 -0.38 1.57 3.07 -1.98 -0.53 114.58 118.43 3ff0 h GLU 15 Ca 0.26 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 3ff0 h GLU 15 Cb 0.21 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3ff0 h GLU 15 CO -0.02 0.89 0.07 1.25 -1.40 0.00 0.00 179.01 179.80 3ff0 h LEU 16 N 0.90 0.60 -0.39 1.33 5.85 -1.78 -1.78 115.31 120.03 3ff0 h LEU 16 Ca 0.20 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3ff0 h LEU 16 Cb 0.34 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3ff0 h LEU 16 CO -0.00 0.70 0.16 0.03 -0.34 0.00 0.00 178.44 178.99 3ff0 h ARG 17 N 0.48 0.32 -0.23 1.25 3.08 -0.82 0.68 114.38 119.13 3ff0 h ARG 17 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ff0 h ARG 17 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3ff0 h ARG 17 CO 0.01 0.21 0.15 0.00 -1.07 0.00 0.00 179.97 179.27 3ff0 h ARG 18 N 0.33 0.30 0.01 0.04 -0.00 -0.98 0.16 114.38 114.24 3ff0 h ARG 18 Ca 0.18 -0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.65 3ff0 h ARG 18 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 3ff0 h ARG 18 CO -0.16 0.20 -0.10 -0.22 0.00 0.00 0.00 179.97 179.69 3ff0 h LYS 19 N 0.31 -0.18 -0.63 0.04 3.64 -1.13 -0.98 116.57 117.66 3ff0 h LYS 19 Ca 0.09 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ff0 h LYS 19 Cb -0.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3ff0 h LYS 19 CO -0.02 -0.12 0.38 -0.91 -2.27 0.00 0.00 179.45 176.51 3ff0 h ASN 20 N -0.18 0.75 -0.60 4.20 2.35 -0.75 -2.59 115.58 118.76 3ff0 h ASN 20 Ca 0.03 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 3ff0 h ASN 20 Cb 0.22 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3ff0 h ASN 20 CO -0.09 0.59 0.17 -0.09 -1.65 0.00 0.00 177.43 176.36 3ff0 h ARG 21 N 0.85 0.94 -0.80 0.81 2.43 -0.76 -1.56 114.38 116.29 3ff0 h ARG 21 Ca 0.22 -0.21 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3ff0 h ARG 21 Cb -0.02 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.32 3ff0 h ARG 21 CO -0.04 0.85 0.43 1.49 -1.51 0.00 0.00 179.97 181.19 3ff0 h GLU 22 N 0.86 0.67 -0.30 0.20 4.81 -1.05 0.79 114.58 120.56 3ff0 h GLU 22 Ca 0.19 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3ff0 h GLU 22 Cb 0.31 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3ff0 h GLU 22 CO -0.00 0.44 -0.01 1.15 -0.73 0.00 0.00 179.01 179.86 3ff0 h THR 23 N 0.69 1.26 -0.31 0.32 2.02 -1.01 -0.41 112.91 115.46 3ff0 h THR 23 Ca 0.40 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3ff0 h THR 23 Cb 0.45 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3ff0 h THR 23 CO -0.29 0.31 0.12 0.58 0.37 0.00 0.00 175.52 176.61 3ff0 h VAL 24 N 0.33 0.93 -0.49 3.16 2.07 -0.91 -0.49 116.25 120.85 3ff0 h VAL 24 Ca 0.08 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3ff0 h VAL 24 Cb 0.45 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3ff0 h VAL 24 CO 0.02 0.05 0.32 0.58 0.02 0.00 0.00 177.57 178.56 3ff0 h VAL 25 N 0.26 1.12 -0.53 2.57 2.07 -0.81 -2.75 116.25 118.19 3ff0 h VAL 25 Ca 0.14 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3ff0 h VAL 25 Cb 0.09 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3ff0 h VAL 25 CO -0.13 0.12 0.24 0.50 0.02 0.00 0.00 177.57 178.32 3ff0 h LYS 26 N 0.66 0.46 0.00 1.57 3.64 -0.82 0.13 116.57 122.21 3ff0 h LYS 26 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ff0 h LYS 26 Cb -0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3ff0 h LYS 26 CO -0.04 0.30 0.00 0.98 -2.27 0.00 0.00 179.45 178.42 3ff0 n TYR 27 N -4.92 0.00 0.00 1.91 4.19 -0.22 -2.12 117.16 116.00 3ff0 n TYR 27 Ca 0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.26 3ff0 n TYR 27 Cb 0.17 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.00 3ff0 n TYR 27 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3ff0 n ASN 29 N 0.24 0.00 -4.66 2.98 3.02 0.03 -4.85 115.26 112.02 3ff0 n ASN 29 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3ff0 n ASN 29 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3ff0 n ASN 29 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ff0 s THR 30 N 0.00 4.28 0.19 3.41 2.01 -0.90 -5.00 115.64 119.64 3ff0 s THR 30 Ca 0.00 1.55 -0.02 0.00 0.31 0.00 0.00 61.69 63.53 3ff0 s THR 30 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3ff0 s THR 30 CO 0.00 -0.14 0.15 -1.59 -0.69 0.00 0.00 174.62 172.35 3ff0 s LYS 31 N 3.50 1.18 5.24 4.92 -2.85 -1.26 -4.81 119.74 125.66 3ff0 s LYS 31 Ca 0.55 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 3ff0 s LYS 31 Cb -0.22 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 3ff0 s LYS 31 CO 0.15 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.62 3ff0 n GLY 32 N -0.25 2.71 0.28 0.59 0.00 -1.26 -2.62 105.19 104.65 3ff0 n GLY 32 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.76 3ff0 n GLY 32 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ff0 h GLN 33 N 0.00 0.00 -0.02 1.61 1.08 -1.99 -0.86 115.11 114.93 3ff0 h GLN 33 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3ff0 h GLN 33 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3ff0 h GLN 33 CO 0.00 0.00 0.04 -0.44 -0.95 0.00 0.00 178.83 177.48 3ff0 h ASP 34 N 0.00 0.00 -0.18 1.46 3.32 -1.91 -0.97 116.42 118.14 3ff0 h ASP 34 Ca 0.04 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3ff0 h ASP 34 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ff0 h ASP 34 CO -0.00 0.00 0.19 0.03 -1.72 0.00 0.00 179.24 177.74 3ff0 h ARG 35 N 0.00 0.00 0.00 3.56 3.08 -1.24 -1.79 114.38 117.99 3ff0 h ARG 35 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3ff0 h ARG 35 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3ff0 h ARG 35 CO -0.00 0.00 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.76 3ff0 h LEU 36 N 0.00 0.00 -2.36 3.04 3.38 -1.37 -2.92 115.31 115.08 3ff0 h LEU 36 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ff0 h LEU 36 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ff0 h LEU 36 CO -0.00 0.07 0.00 0.54 0.09 0.00 0.00 178.44 179.14 3ff0 n ARG 37 N -3.20 2.10 0.10 1.13 1.74 -0.69 -4.68 116.66 113.15 3ff0 n ARG 37 Ca 0.00 -1.83 0.05 0.00 -0.77 0.00 0.00 57.85 55.30 3ff0 n ARG 37 Cb 0.34 -1.29 0.49 0.00 -1.02 0.00 0.00 32.46 30.97 3ff0 n ARG 37 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3ff0 h ARG 38 N 2.48 0.33 -0.10 5.56 2.43 -1.31 -0.81 114.38 122.95 3ff0 h ARG 38 Ca 0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3ff0 h ARG 38 Cb 0.69 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3ff0 h ARG 38 CO 0.00 0.25 0.30 1.12 -1.51 0.00 0.00 179.97 180.13 3ff0 h HIS 39 N 0.34 0.00 0.00 2.20 2.07 -1.83 -0.68 115.15 117.25 3ff0 h HIS 39 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 3ff0 h HIS 39 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 3ff0 h HIS 39 CO 0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 3ff0 n GLU 40 N -3.17 0.00 0.00 5.12 1.02 -0.31 -1.85 120.64 121.45 3ff0 n GLU 40 Ca 0.00 0.26 0.15 0.00 -0.02 0.00 0.00 57.16 57.55 3ff0 n GLU 40 Cb 0.39 -1.51 0.74 0.00 -0.02 0.00 0.00 31.44 31.03 3ff0 n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ff0 n LEU 41 N -1.52 0.32 -4.84 -4.62 4.77 -0.26 -4.90 117.00 105.95 3ff0 n LEU 41 Ca 0.03 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 3ff0 n LEU 41 Cb 0.17 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3ff0 n LEU 41 CO 0.13 0.06 -0.20 -0.36 -1.33 0.00 0.00 177.39 175.69 3ff0 s PHE 42 N -2.31 3.28 0.85 -1.77 0.40 -0.77 -0.13 117.98 117.53 3ff0 s PHE 42 Ca 0.35 0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.65 3ff0 s PHE 42 Cb 0.21 -1.61 0.11 0.00 0.51 0.00 0.00 43.02 42.24 3ff0 s PHE 42 CO 0.43 0.53 1.13 0.14 0.70 0.00 0.00 175.22 178.15 3ff0 s VAL 43 N -1.62 2.52 0.23 -0.44 -7.23 -0.27 -4.76 120.40 108.84 3ff0 s VAL 43 Ca 0.32 0.17 -0.07 0.00 -1.81 0.00 0.00 61.98 60.59 3ff0 s VAL 43 Cb -0.11 -2.39 0.18 0.00 0.56 0.00 0.00 36.38 34.62 3ff0 s VAL 43 CO 0.25 -0.22 1.82 -0.08 -0.31 0.00 0.00 175.10 176.56 3ff0 h GLU 44 N -1.52 0.76 -0.78 4.82 4.57 -1.95 0.69 114.58 121.17 3ff0 h GLU 44 Ca -0.43 -0.05 -0.27 0.00 -1.18 0.00 0.00 59.36 57.43 3ff0 h GLU 44 Cb 1.26 -0.17 -0.16 0.00 -0.16 0.00 0.00 28.75 29.51 3ff0 h GLU 44 CO 0.45 0.50 0.34 -0.40 -1.18 0.00 0.00 179.01 178.72 3ff0 n ASP 45 N -4.73 4.62 -4.72 1.04 5.75 -1.26 -1.50 116.55 115.75 3ff0 n ASP 45 Ca 0.11 -3.31 -0.31 0.00 -0.01 0.00 0.00 54.79 51.27 3ff0 n ASP 45 Cb 0.20 -0.76 0.13 0.00 -1.03 0.00 0.00 41.12 39.66 3ff0 n ASP 45 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3ff0 s GLY 46 N -1.12 1.68 0.14 6.12 0.00 0.23 -4.37 107.32 110.01 3ff0 s GLY 46 Ca 0.55 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.64 3ff0 s GLY 46 CO 0.13 0.82 0.20 0.00 0.00 0.00 0.00 173.10 174.26 3ff0 s GLY 48 N -2.96 -0.19 0.00 0.00 0.00 -0.53 -1.72 107.32 101.92 3ff0 s GLY 48 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3ff0 s GLY 48 CO -0.02 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.66 3ff0 n GLY 49 N -0.47 -0.43 3.50 0.20 0.00 -0.92 -0.03 105.19 107.05 3ff0 n GLY 49 Ca -0.05 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 3ff0 n GLY 49 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ff0 s LEU 50 N 0.00 3.64 0.00 0.99 2.96 -0.42 -0.83 118.68 125.03 3ff0 s LEU 50 Ca 0.00 -0.13 0.22 0.00 -0.22 0.00 0.00 54.13 54.00 3ff0 s LEU 50 Cb 0.00 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3ff0 s LEU 50 CO 0.00 -0.03 1.06 0.79 -1.32 0.00 0.00 176.35 176.85 3ff0 n TRP 51 N 4.93 0.00 -3.86 5.38 8.01 0.52 -1.28 117.44 131.15 3ff0 n TRP 51 Ca -0.15 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.70 3ff0 n TRP 51 Cb 0.52 -0.07 -0.13 0.00 -2.01 0.00 0.00 31.31 29.62 3ff0 n TRP 51 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3ff0 s THR 52 N -2.95 2.98 0.26 -0.99 -4.23 -1.24 -4.68 115.64 104.80 3ff0 s THR 52 Ca 0.10 -2.53 0.07 0.00 -1.18 0.00 0.00 61.69 58.14 3ff0 s THR 52 Cb 0.17 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 3ff0 s THR 52 CO 0.79 -0.72 -0.07 0.42 -0.54 0.00 0.00 174.62 174.50 3ff0 s THR 53 N 0.59 1.61 0.43 3.99 -4.23 -1.26 -4.85 115.64 111.92 3ff0 s THR 53 Ca 0.12 -2.13 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 3ff0 s THR 53 Cb -0.22 -2.37 0.24 0.00 1.34 0.00 0.00 72.50 71.49 3ff0 s THR 53 CO -0.04 -0.35 2.03 -2.24 -0.54 0.00 0.00 174.62 173.47 3ff0 h ASP 54 N 2.34 0.00 1.59 3.99 -0.00 -1.98 -2.84 116.42 119.52 3ff0 h ASP 54 Ca -0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.59 3ff0 h ASP 54 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.55 3ff0 h ASP 54 CO 0.66 0.16 -0.41 0.71 -0.00 0.00 0.00 179.24 180.35 3ff0 h THR 55 N 0.00 0.28 0.00 1.15 1.35 -2.00 -3.47 112.91 110.21 3ff0 h THR 55 Ca -0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3ff0 h THR 55 Cb 0.34 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3ff0 h THR 55 CO 0.02 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3ff0 n GLY 56 N 1.17 2.98 3.85 5.82 0.00 -1.07 -5.05 105.19 112.89 3ff0 n GLY 56 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3ff0 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ff0 s SER 57 N 0.39 6.71 0.65 1.61 0.01 -1.26 -4.83 113.70 116.98 3ff0 s SER 57 Ca 0.00 0.86 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 3ff0 s SER 57 Cb 0.00 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3ff0 s SER 57 CO 0.00 0.24 1.27 -2.84 0.41 0.00 0.00 173.24 172.32 3ff0 s PRO 58 N -1.52 2.58 -0.41 12.44 0.02 -1.26 -4.64 135.00 142.21 3ff0 s PRO 58 Ca 0.28 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 63.16 3ff0 s PRO 58 Cb -0.15 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3ff0 s PRO 58 CO 0.16 -1.55 0.28 0.42 -0.33 0.00 0.00 177.00 175.97 3ff0 s ILE 59 N -1.51 4.88 -0.12 2.83 1.01 -0.40 -4.99 121.20 122.91 3ff0 s ILE 59 Ca 0.81 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3ff0 s ILE 59 Cb -0.35 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 3ff0 s ILE 59 CO 0.39 -0.35 -0.13 -0.69 0.00 0.00 0.00 174.94 174.16 3ff0 s VAL 60 N 1.60 3.06 -0.21 2.92 1.01 -1.26 -1.29 120.40 126.22 3ff0 s VAL 60 Ca 0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3ff0 s VAL 60 Cb -0.20 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3ff0 s VAL 60 CO 0.07 0.53 -0.02 -0.51 0.00 0.00 0.00 175.10 175.18 3ff0 s ILE 61 N 0.18 3.67 -0.18 2.22 2.07 0.96 -4.97 121.20 125.16 3ff0 s ILE 61 Ca -0.08 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.75 3ff0 s ILE 61 Cb -0.15 -2.67 -0.01 0.00 0.13 0.00 0.00 42.46 39.76 3ff0 s ILE 61 CO 0.05 0.42 -0.09 -0.13 -1.91 0.00 0.00 174.94 173.27 3ff0 s ARG 62 N 1.29 3.36 0.00 3.50 0.52 -1.26 -1.45 118.95 124.90 3ff0 s ARG 62 Ca 0.04 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 3ff0 s ARG 62 Cb -0.14 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.52 3ff0 s ARG 62 CO -0.00 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.72 3ff0 n GLY 63 N 4.19 0.09 0.36 -3.53 0.00 0.15 -4.35 105.19 102.10 3ff0 n GLY 63 Ca -0.18 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 3ff0 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ff0 h LYS 64 N 0.00 1.14 -0.09 1.61 1.57 -1.45 0.14 116.57 119.48 3ff0 h LYS 64 Ca 0.00 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3ff0 h LYS 64 Cb 0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3ff0 h LYS 64 CO 0.00 0.77 0.04 -0.44 -0.57 0.00 0.00 179.45 179.25 3ff0 h ASP 65 N 1.17 0.06 -0.13 0.86 5.19 -1.87 0.65 116.42 122.35 3ff0 h ASP 65 Ca 0.31 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 3ff0 h ASP 65 Cb -0.10 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 3ff0 h ASP 65 CO -0.06 0.05 -0.20 0.11 -3.12 0.00 0.00 179.24 176.02 3ff0 h LYS 66 N 0.09 0.54 -0.73 3.56 1.79 -1.61 -1.86 116.57 118.35 3ff0 h LYS 66 Ca 0.04 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 3ff0 h LYS 66 Cb 0.01 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 3ff0 h LYS 66 CO -0.03 0.71 0.34 -0.07 -1.08 0.00 0.00 179.45 179.32 3ff0 h LEU 67 N 0.49 0.97 -0.18 2.94 3.38 -0.71 0.21 115.31 122.40 3ff0 h LEU 67 Ca 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ff0 h LEU 67 Cb 0.61 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ff0 h LEU 67 CO 0.04 0.84 0.11 0.00 0.09 0.00 0.00 178.44 179.52 3ff0 h ALA 68 N 1.17 0.23 -0.74 1.53 0.00 -0.66 -1.63 119.26 119.15 3ff0 h ALA 68 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ff0 h ALA 68 Cb 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ff0 h ALA 68 CO -0.03 -0.25 0.38 0.93 0.00 0.00 0.00 179.25 180.28 3ff0 h GLU 69 N 0.21 1.06 -0.39 0.00 5.08 -1.16 -2.48 114.58 116.90 3ff0 h GLU 69 Ca 0.07 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3ff0 h GLU 69 Cb 0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3ff0 h GLU 69 CO -0.01 0.81 0.17 1.25 -1.00 0.00 0.00 179.01 180.22 3ff0 h HIS 70 N 1.04 0.53 -0.77 4.33 2.76 -0.72 -2.00 115.15 120.32 3ff0 h HIS 70 Ca 0.26 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 3ff0 h HIS 70 Cb 0.08 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.82 3ff0 h HIS 70 CO 0.00 0.41 0.50 0.00 -1.30 0.00 0.00 177.93 177.55 3ff0 h ALA 71 N 1.65 1.70 -0.17 5.26 0.00 -0.81 0.19 119.26 127.08 3ff0 h ALA 71 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ff0 h ALA 71 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ff0 h ALA 71 CO -0.02 0.17 -0.00 0.28 0.00 0.00 0.00 179.25 179.68 3ff0 h VAL 72 N 0.78 1.26 -0.67 0.00 2.07 -1.36 -0.18 116.25 118.14 3ff0 h VAL 72 Ca 0.34 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3ff0 h VAL 72 Cb 0.32 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3ff0 h VAL 72 CO -0.12 0.26 0.42 -0.25 0.02 0.00 0.00 177.57 177.90 3ff0 h TRP 73 N 0.04 0.79 -0.34 1.57 7.01 -1.30 -1.93 115.95 121.79 3ff0 h TRP 73 Ca 0.05 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.08 3ff0 h TRP 73 Cb 0.39 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 3ff0 h TRP 73 CO 0.04 0.46 0.20 1.03 -2.79 0.00 0.00 178.44 177.37 3ff0 h SER 74 N 0.83 0.32 0.31 2.65 0.87 -0.39 -1.04 113.55 117.09 3ff0 h SER 74 Ca 0.27 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3ff0 h SER 74 Cb 0.01 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3ff0 h SER 74 CO -0.10 0.23 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.15 3ff0 h LEU 75 N 0.40 0.00 0.01 2.23 3.38 -0.89 0.22 115.31 120.66 3ff0 h LEU 75 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ff0 h LEU 75 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ff0 h LEU 75 CO -0.06 0.21 -0.00 0.50 0.09 0.00 0.00 178.44 179.17 3ff0 h LYS 76 N 0.00 -0.01 0.00 1.13 3.64 -0.85 -3.19 116.57 117.29 3ff0 h LYS 76 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3ff0 h LYS 76 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3ff0 h LYS 76 CO 0.03 0.57 -0.99 0.00 -2.27 0.00 0.00 179.45 176.79 3ff0 n PHE 78 N -2.93 1.55 0.23 0.00 3.72 0.75 0.09 117.46 120.86 3ff0 n PHE 78 Ca -0.04 -3.85 0.07 0.00 -0.05 0.00 0.00 57.45 53.59 3ff0 n PHE 78 Cb 0.72 -0.45 0.54 0.00 -0.94 0.00 0.00 39.48 39.35 3ff0 n PHE 78 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ff0 h PRO 79 N 4.00 0.00 0.00 -1.08 0.13 -1.72 -2.99 132.00 130.34 3ff0 h PRO 79 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3ff0 h PRO 79 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3ff0 h PRO 79 CO 0.64 0.21 -0.19 -0.40 -0.23 0.00 0.00 178.00 178.03 3ff0 n ASP 80 N -3.96 1.97 -4.68 1.44 5.75 -1.26 -4.88 116.55 110.93 3ff0 n ASP 80 Ca -0.02 -3.16 -0.45 0.00 -0.01 0.00 0.00 54.79 51.15 3ff0 n ASP 80 Cb 0.30 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 3ff0 n ASP 80 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3ff0 n TRP 81 N -1.19 2.32 -4.16 2.11 -0.00 -1.13 -4.76 117.44 110.63 3ff0 n TRP 81 Ca 0.15 0.30 -0.16 0.00 -0.00 0.00 0.00 57.50 57.80 3ff0 n TRP 81 Cb 0.67 -2.53 -0.13 0.00 -0.00 0.00 0.00 31.31 29.33 3ff0 n TRP 81 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 3ff0 s GLU 82 N 0.40 0.61 0.21 5.87 -1.05 -0.66 -4.59 118.70 119.50 3ff0 s GLU 82 Ca 0.74 -0.63 -0.11 0.00 -0.15 0.00 0.00 54.97 54.82 3ff0 s GLU 82 Cb -0.64 -0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 32.47 3ff0 s GLU 82 CO 0.42 0.11 0.56 -1.58 0.95 0.00 0.00 175.26 175.72 3ff0 s TRP 83 N -0.95 3.46 0.29 4.83 0.52 -1.26 -1.42 118.94 124.41 3ff0 s TRP 83 Ca -0.04 0.93 -0.13 0.00 0.02 0.00 0.00 56.10 56.88 3ff0 s TRP 83 Cb -0.08 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 3ff0 s TRP 83 CO 0.01 0.30 0.56 1.52 0.02 0.00 0.00 176.95 179.36 3ff0 s TYR 84 N -1.74 0.34 -1.42 -1.98 1.13 -0.10 -4.93 117.35 108.66 3ff0 s TYR 84 Ca 0.45 -0.74 -0.05 0.00 -1.41 0.00 0.00 57.07 55.32 3ff0 s TYR 84 Cb -0.12 0.33 0.03 0.00 -1.10 0.00 0.00 41.96 41.11 3ff0 s TYR 84 CO 0.20 -1.14 0.72 0.09 -2.51 0.00 0.00 175.55 172.91 3ff0 n ASN 85 N -0.70 -2.12 -4.70 -0.18 3.02 -1.26 -0.78 115.26 108.55 3ff0 n ASN 85 Ca -0.03 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.25 3ff0 n ASN 85 Cb 0.61 -3.71 -0.03 0.00 -0.61 0.00 0.00 39.78 36.04 3ff0 n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ff0 s ILE 86 N -3.61 4.88 -0.13 2.41 1.01 -1.26 -4.20 121.20 120.30 3ff0 s ILE 86 Ca 0.23 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.75 3ff0 s ILE 86 Cb -0.12 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.14 3ff0 s ILE 86 CO 0.84 0.11 -0.13 -0.75 0.00 0.00 0.00 174.94 175.01 3ff0 s LYS 87 N 1.47 2.15 -0.22 2.79 2.47 0.50 -5.01 119.74 123.88 3ff0 s LYS 87 Ca 0.46 -0.51 -0.09 0.00 -1.56 0.00 0.00 55.97 54.26 3ff0 s LYS 87 Cb -0.19 -1.97 -0.05 0.00 -1.46 0.00 0.00 37.83 34.17 3ff0 s LYS 87 CO 0.20 -0.20 0.13 0.08 0.16 0.00 0.00 175.35 175.72 3ff0 s VAL 88 N 1.42 5.15 -0.25 4.02 1.01 -1.26 -1.14 120.40 129.34 3ff0 s VAL 88 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 3ff0 s VAL 88 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3ff0 s VAL 88 CO -0.08 0.38 -0.00 -0.36 0.00 0.00 0.00 175.10 175.04 3ff0 s PHE 89 N 0.86 3.05 0.87 5.22 0.08 0.13 -5.01 117.98 123.19 3ff0 s PHE 89 Ca 0.06 -1.07 -0.11 0.00 0.12 0.00 0.00 56.93 55.93 3ff0 s PHE 89 Cb -0.13 -2.15 0.12 0.00 -0.57 0.00 0.00 43.02 40.29 3ff0 s PHE 89 CO 0.03 -0.59 1.09 -1.21 -0.10 0.00 0.00 175.22 174.44 3ff0 s GLU 90 N 1.46 1.44 0.39 0.44 2.02 -1.26 -1.76 118.70 121.43 3ff0 s GLU 90 Ca 0.03 1.04 0.04 0.00 0.02 0.00 0.00 54.97 56.10 3ff0 s GLU 90 Cb -0.16 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 3ff0 s GLU 90 CO -0.01 -2.17 0.12 0.95 0.02 0.00 0.00 175.26 174.17 3ff0 s THR 91 N -2.86 0.64 0.45 3.63 -4.23 -1.19 -4.82 115.64 107.25 3ff0 s THR 91 Ca 0.63 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.50 3ff0 s THR 91 Cb -0.19 -2.40 0.38 0.00 1.34 0.00 0.00 72.50 71.63 3ff0 s THR 91 CO 0.57 0.00 2.18 -2.24 -0.54 0.00 0.00 174.62 174.59 3ff0 h ASP 92 N 1.85 0.00 -3.42 3.99 2.03 -1.99 -3.37 116.42 115.50 3ff0 h ASP 92 Ca -0.36 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.34 3ff0 h ASP 92 Cb 1.27 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.67 3ff0 h ASP 92 CO 0.58 0.04 0.47 -0.62 -1.03 0.00 0.00 179.24 178.68 3ff0 s ASP 93 N -5.67 6.70 0.10 4.15 -1.08 -1.26 -4.94 116.67 114.66 3ff0 s ASP 93 Ca -0.03 0.69 0.14 0.00 -0.52 0.00 0.00 52.55 52.83 3ff0 s ASP 93 Cb 0.12 -2.43 0.61 0.00 -1.46 0.00 0.00 42.92 39.76 3ff0 s ASP 93 CO 0.51 -0.68 1.42 -0.81 0.52 0.00 0.00 175.17 176.13 3ff0 n PRO 94 N 6.35 0.06 -0.10 4.34 -0.04 -1.26 -2.01 135.00 142.33 3ff0 n PRO 94 Ca 0.05 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 3ff0 n PRO 94 Cb 0.48 -1.64 0.16 0.00 -0.04 0.00 0.00 33.50 32.45 3ff0 n PRO 94 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ff0 n ASN 95 N -1.76 3.15 -3.99 3.54 3.02 -1.26 -4.52 115.26 113.44 3ff0 n ASN 95 Ca 0.02 -1.95 -0.28 0.00 -0.03 0.00 0.00 54.58 52.34 3ff0 n ASN 95 Cb 0.12 -0.13 -0.17 0.00 -0.61 0.00 0.00 39.78 38.99 3ff0 n ASN 95 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ff0 s HIS 96 N -1.61 1.81 0.15 3.10 2.46 -0.85 -0.51 115.29 119.84 3ff0 s HIS 96 Ca 0.32 -0.91 0.11 0.00 0.47 0.00 0.00 55.06 55.05 3ff0 s HIS 96 Cb 0.20 -1.37 -0.04 0.00 -0.13 0.00 0.00 32.58 31.24 3ff0 s HIS 96 CO 0.29 -0.52 -0.24 -0.06 -2.47 0.00 0.00 174.74 171.74 3ff0 s PHE 97 N 1.32 2.19 0.00 3.88 0.40 0.14 -3.20 117.98 122.71 3ff0 s PHE 97 Ca -0.01 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 3ff0 s PHE 97 Cb -0.14 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 3ff0 s PHE 97 CO -0.06 0.38 -0.24 -1.58 0.70 0.00 0.00 175.22 174.42 3ff0 s TRP 98 N -1.39 2.16 -0.09 0.36 0.52 -0.72 -0.51 118.94 119.27 3ff0 s TRP 98 Ca 0.16 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.88 3ff0 s TRP 98 Cb -0.09 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.89 3ff0 s TRP 98 CO 0.07 0.02 -0.12 0.08 0.02 0.00 0.00 176.95 177.02 3ff0 s VAL 99 N -0.65 1.20 -0.15 4.03 1.01 0.34 0.22 120.40 126.40 3ff0 s VAL 99 Ca 0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 3ff0 s VAL 99 Cb -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3ff0 s VAL 99 CO 0.00 0.38 0.04 -0.70 0.00 0.00 0.00 175.10 174.83 3ff0 s GLU 100 N 1.01 3.61 0.22 2.72 2.12 -0.30 -0.19 118.70 127.89 3ff0 s GLU 100 Ca -0.08 -0.35 -0.22 0.00 0.36 0.00 0.00 54.97 54.68 3ff0 s GLU 100 Cb -0.15 -3.06 0.05 0.00 0.26 0.00 0.00 34.13 31.23 3ff0 s GLU 100 CO -0.01 0.45 0.88 0.00 -0.54 0.00 0.00 175.26 176.05 3ff0 s ASP 102 N -3.00 5.39 -0.04 0.00 1.01 0.04 -0.31 116.67 119.76 3ff0 s ASP 102 Ca 0.13 -0.36 -0.11 0.00 0.71 0.00 0.00 52.55 52.92 3ff0 s ASP 102 Cb -0.03 -1.21 0.02 0.00 1.01 0.00 0.00 42.92 42.71 3ff0 s ASP 102 CO 0.05 -0.16 0.26 -0.83 0.21 0.00 0.00 175.17 174.69 3ff0 s GLY 103 N -3.90 -0.12 0.15 0.21 0.00 -0.29 -0.92 107.32 102.45 3ff0 s GLY 103 Ca 0.36 0.37 -0.18 0.00 0.00 0.00 0.00 44.72 45.27 3ff0 s GLY 103 CO 0.25 0.22 0.48 -2.38 0.00 0.00 0.00 173.10 171.67 3ff0 s HIS 104 N -0.82 -0.28 0.00 1.90 -3.43 -0.51 -1.33 115.29 110.82 3ff0 s HIS 104 Ca -0.09 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 3ff0 s HIS 104 Cb -0.05 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 3ff0 s HIS 104 CO 0.02 -0.79 0.00 0.41 -2.00 0.00 0.00 174.74 172.38 3ff0 n GLY 105 N -0.29 0.76 3.75 -1.38 0.00 -0.67 -1.65 105.19 105.71 3ff0 n GLY 105 Ca -0.15 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 3ff0 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ff0 s LYS 106 N -2.00 3.25 -0.13 1.61 1.02 -1.26 -0.56 119.74 121.67 3ff0 s LYS 106 Ca 0.00 2.21 0.02 0.00 0.02 0.00 0.00 55.97 58.22 3ff0 s LYS 106 Cb 0.00 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 3ff0 s LYS 106 CO 0.00 -1.10 -0.18 -1.50 -0.92 0.00 0.00 175.35 171.65 3ff0 s ILE 107 N -1.32 1.74 -0.52 2.17 2.07 -0.47 -4.26 121.20 120.62 3ff0 s ILE 107 Ca 0.70 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 3ff0 s ILE 107 Cb -0.40 -1.57 0.16 0.00 0.13 0.00 0.00 42.46 40.78 3ff0 s ILE 107 CO 0.47 0.49 0.36 -0.76 -1.91 0.00 0.00 174.94 173.59 3ff0 s LEU 108 N 0.97 2.97 -0.21 8.50 1.43 0.11 -1.91 118.68 130.54 3ff0 s LEU 108 Ca -0.05 -3.21 -0.14 0.00 -1.03 0.00 0.00 54.13 49.70 3ff0 s LEU 108 Cb -0.15 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 3ff0 s LEU 108 CO -0.03 -0.17 0.31 -0.36 0.23 0.00 0.00 176.35 176.34 3ff0 s PHE 109 N -0.38 3.37 0.35 0.29 0.40 -1.26 -4.30 117.98 116.45 3ff0 s PHE 109 Ca 0.26 0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 56.80 3ff0 s PHE 109 Cb -0.07 -2.42 -0.11 0.00 0.51 0.00 0.00 43.02 40.92 3ff0 s PHE 109 CO -0.13 0.05 1.52 -2.30 0.70 0.00 0.00 175.22 175.06 3ff0 n PRO 110 N 4.29 2.66 -0.05 0.24 -0.02 -1.26 -1.37 135.00 139.50 3ff0 n PRO 110 Ca -0.11 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3ff0 n PRO 110 Cb 0.51 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3ff0 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ff0 n GLY 111 N 1.08 1.32 3.45 -1.23 0.00 -1.26 -5.04 105.19 103.51 3ff0 n GLY 111 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3ff0 n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ff0 s TYR 112 N -2.51 2.38 0.55 1.61 2.02 -0.47 -5.12 117.35 115.81 3ff0 s TYR 112 Ca 0.00 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 3ff0 s TYR 112 Cb 0.00 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 3ff0 s TYR 112 CO 0.00 0.48 1.24 -1.25 -1.57 0.00 0.00 175.55 174.45 3ff0 s PRO 113 N -2.60 3.20 0.28 -1.71 0.05 -1.26 -4.62 135.00 128.34 3ff0 s PRO 113 Ca 0.21 1.92 -0.30 0.00 0.05 0.00 0.00 61.00 62.88 3ff0 s PRO 113 Cb -0.08 -2.13 -0.13 0.00 0.05 0.00 0.00 34.50 32.21 3ff0 s PRO 113 CO 0.10 -1.05 1.29 -1.91 0.05 0.00 0.00 177.00 175.48 3ff0 n GLU 114 N -1.18 1.91 -3.54 4.56 2.13 -1.26 -4.81 120.64 118.45 3ff0 n GLU 114 Ca 0.11 0.68 -0.15 0.00 0.66 0.00 0.00 57.16 58.46 3ff0 n GLU 114 Cb 0.48 -2.25 -0.05 0.00 0.27 0.00 0.00 31.44 29.89 3ff0 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ff0 n GLY 115 N 1.49 3.36 3.22 8.31 0.00 -0.80 -5.01 105.19 115.77 3ff0 n GLY 115 Ca 0.09 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 3ff0 n GLY 115 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ff0 s TYR 116 N -2.79 2.69 -0.20 1.61 5.04 -1.26 -1.37 117.35 121.07 3ff0 s TYR 116 Ca 0.22 -1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 53.69 3ff0 s TYR 116 Cb 0.01 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.50 3ff0 s TYR 116 CO 0.16 -0.50 -0.08 -0.47 -1.34 0.00 0.00 175.55 173.32 3ff0 s TYR 117 N 0.68 2.91 -0.09 4.97 5.04 0.28 -4.60 117.35 126.53 3ff0 s TYR 117 Ca -0.09 -1.04 0.01 0.00 -2.44 0.00 0.00 57.07 53.51 3ff0 s TYR 117 Cb -0.16 -2.04 0.02 0.00 0.35 0.00 0.00 41.96 40.12 3ff0 s TYR 117 CO 0.02 -0.56 -0.12 -1.21 -1.34 0.00 0.00 175.55 172.33 3ff0 s GLU 118 N 1.32 1.87 0.12 4.97 2.02 -1.26 -1.68 118.70 126.06 3ff0 s GLU 118 Ca 0.04 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 3ff0 s GLU 118 Cb -0.14 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 3ff0 s GLU 118 CO -0.04 -0.07 0.19 1.21 0.02 0.00 0.00 175.26 176.56 3ff0 s ASN 119 N 1.02 0.15 -0.10 -0.19 3.84 -0.45 -4.82 114.94 114.39 3ff0 s ASN 119 Ca -0.07 -0.83 -0.00 0.00 0.21 0.00 0.00 52.86 52.17 3ff0 s ASN 119 Cb -0.15 0.35 -0.03 0.00 -0.55 0.00 0.00 41.25 40.88 3ff0 s ASN 119 CO -0.01 -0.77 -0.08 -2.28 -2.79 0.00 0.00 177.10 171.16 3ff0 s HIS 120 N -3.92 2.90 0.00 0.43 5.65 -1.26 -1.13 115.29 117.96 3ff0 s HIS 120 Ca 0.12 -0.23 0.05 0.00 0.25 0.00 0.00 55.06 55.25 3ff0 s HIS 120 Cb 0.05 -1.79 -0.02 0.00 -1.18 0.00 0.00 32.58 29.64 3ff0 s HIS 120 CO -0.06 0.10 -0.16 -0.06 -0.65 0.00 0.00 174.74 173.91 3ff0 s PHE 121 N -0.24 1.41 -0.11 3.88 0.40 0.58 -3.65 117.98 120.24 3ff0 s PHE 121 Ca 0.03 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 3ff0 s PHE 121 Cb -0.13 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 3ff0 s PHE 121 CO 0.03 0.00 -0.10 -0.51 0.70 0.00 0.00 175.22 175.34 3ff0 s LEU 122 N -0.61 2.91 -0.13 -0.37 1.43 0.44 -1.69 118.68 120.66 3ff0 s LEU 122 Ca 0.05 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3ff0 s LEU 122 Cb -0.07 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3ff0 s LEU 122 CO 0.00 0.23 -0.19 -1.00 0.23 0.00 0.00 176.35 175.61 3ff0 s HIS 123 N 0.00 2.69 -0.20 0.29 3.76 0.73 -0.77 115.29 121.80 3ff0 s HIS 123 Ca -0.02 -1.02 -0.09 0.00 -0.15 0.00 0.00 55.06 53.77 3ff0 s HIS 123 Cb -0.14 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.70 3ff0 s HIS 123 CO 0.04 -0.43 0.11 0.45 -0.85 0.00 0.00 174.74 174.06 3ff0 s SER 124 N 0.55 6.07 -0.13 1.40 0.15 -0.16 -0.51 113.70 121.07 3ff0 s SER 124 Ca -0.12 0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.75 3ff0 s SER 124 Cb -0.16 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 3ff0 s SER 124 CO 0.04 0.18 -0.19 -0.36 1.20 0.00 0.00 173.24 174.11 3ff0 s PHE 125 N 0.36 2.43 -0.15 3.44 0.08 0.33 -1.54 117.98 122.94 3ff0 s PHE 125 Ca 0.07 -1.24 -0.02 0.00 0.12 0.00 0.00 56.93 55.87 3ff0 s PHE 125 Cb -0.11 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3ff0 s PHE 125 CO -0.02 -0.59 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.21 3ff0 s GLU 126 N 0.95 3.47 0.33 0.44 2.02 -0.28 -0.68 118.70 124.94 3ff0 s GLU 126 Ca -0.05 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 54.38 3ff0 s GLU 126 Cb -0.15 -2.76 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 3ff0 s GLU 126 CO -0.03 0.17 -0.04 -0.51 0.02 0.00 0.00 175.26 174.86 3ff0 s LEU 127 N 0.50 2.58 -0.21 1.80 1.02 0.34 -0.24 118.68 124.46 3ff0 s LEU 127 Ca -0.07 -1.25 -0.04 0.00 0.02 0.00 0.00 54.13 52.79 3ff0 s LEU 127 Cb -0.15 -0.75 0.08 0.00 0.02 0.00 0.00 46.19 45.39 3ff0 s LEU 127 CO 0.04 -0.36 0.12 -0.62 0.02 0.00 0.00 176.35 175.55 3ff0 s ASP 128 N -3.54 2.50 -1.44 2.29 3.68 0.13 -4.78 116.67 115.50 3ff0 s ASP 128 Ca 0.32 -0.74 -0.02 0.00 2.13 0.00 0.00 52.55 54.25 3ff0 s ASP 128 Cb 0.05 -0.17 0.01 0.00 -1.45 0.00 0.00 42.92 41.37 3ff0 s ASP 128 CO 0.15 -0.37 0.41 -0.67 0.13 0.00 0.00 175.17 174.81 3ff0 n ASP 129 N 5.28 -0.44 0.00 -0.34 2.03 -1.26 -1.58 116.55 120.24 3ff0 n ASP 129 Ca -0.06 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3ff0 n ASP 129 Cb 0.47 -2.90 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 3ff0 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ff0 n GLY 130 N -1.99 0.92 3.46 0.27 0.00 -1.26 -4.99 105.19 101.59 3ff0 n GLY 130 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3ff0 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ff0 s LYS 131 N -0.62 2.00 -0.09 1.61 1.02 -0.61 -4.75 119.74 118.31 3ff0 s LYS 131 Ca 0.00 -1.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.66 3ff0 s LYS 131 Cb 0.00 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3ff0 s LYS 131 CO 0.00 0.53 1.06 0.42 -0.92 0.00 0.00 175.35 176.44 3ff0 s ILE 132 N -0.98 4.63 -0.12 2.17 1.01 0.82 0.17 121.20 128.90 3ff0 s ILE 132 Ca 0.15 1.91 -0.15 0.00 0.00 0.00 0.00 60.65 62.57 3ff0 s ILE 132 Cb -0.10 -4.23 -0.26 0.00 0.01 0.00 0.00 42.46 37.88 3ff0 s ILE 132 CO 0.06 0.00 0.49 0.11 0.00 0.00 0.00 174.94 175.60 3ff0 h LYS 133 N 7.20 0.22 -2.52 2.79 1.57 -0.92 -0.70 116.57 124.22 3ff0 h LYS 133 Ca -0.32 -0.38 -0.09 0.00 -1.87 0.00 0.00 60.65 57.99 3ff0 h LYS 133 Cb 1.15 0.14 -0.25 0.00 0.08 0.00 0.00 32.23 33.35 3ff0 h LYS 133 CO 0.86 1.18 -0.23 0.50 -0.57 0.00 0.00 179.45 181.19 3ff0 s ARG 134 N -2.48 0.46 -0.07 3.15 3.52 -0.86 -1.27 118.95 121.40 3ff0 s ARG 134 Ca -0.21 0.87 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3ff0 s ARG 134 Cb 0.05 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 3ff0 s ARG 134 CO 0.75 -0.15 -0.08 1.21 -0.81 0.00 0.00 175.30 176.21 3ff0 s ASN 135 N 1.43 4.53 -0.08 -2.12 2.47 -0.70 -1.13 114.94 119.34 3ff0 s ASN 135 Ca -0.09 -0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.13 3ff0 s ASN 135 Cb -0.08 -1.15 0.02 0.00 -1.45 0.00 0.00 41.25 38.59 3ff0 s ASN 135 CO -0.14 0.35 -0.09 -0.13 -3.72 0.00 0.00 177.10 173.36 3ff0 s ARG 136 N -0.71 1.50 -0.16 0.43 0.52 -0.59 -2.15 118.95 117.79 3ff0 s ARG 136 Ca 0.11 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.93 3ff0 s ARG 136 Cb -0.11 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 3ff0 s ARG 136 CO 0.01 -0.10 0.13 -1.21 0.02 0.00 0.00 175.30 174.16 3ff0 s GLU 137 N 1.10 3.82 -0.00 3.54 2.02 -0.01 -0.99 118.70 128.18 3ff0 s GLU 137 Ca -0.07 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.80 3ff0 s GLU 137 Cb -0.14 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 3ff0 s GLU 137 CO -0.01 0.53 -0.18 -0.06 0.02 0.00 0.00 175.26 175.56 3ff0 s PHE 138 N -0.30 1.58 -0.38 1.61 0.40 0.05 -0.35 117.98 120.58 3ff0 s PHE 138 Ca 0.11 -0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.03 3ff0 s PHE 138 Cb -0.11 -1.00 0.04 0.00 0.51 0.00 0.00 43.02 42.45 3ff0 s PHE 138 CO 0.01 -0.01 0.21 1.21 0.70 0.00 0.00 175.22 177.33 3ff0 s ASN 140 N -0.53 5.66 0.32 1.36 3.84 -1.24 -0.42 114.94 123.94 3ff0 s ASN 140 Ca 0.07 -1.14 0.00 0.00 0.21 0.00 0.00 52.86 52.00 3ff0 s ASN 140 Cb -0.07 -2.00 0.54 0.00 -0.55 0.00 0.00 41.25 39.17 3ff0 s ASN 140 CO -0.00 -0.42 1.98 0.58 -2.79 0.00 0.00 177.10 176.45 3ff0 h VAL 141 N 5.96 1.19 -0.61 -5.21 2.07 -1.96 -2.15 116.25 115.54 3ff0 h VAL 141 Ca -0.25 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.04 3ff0 h VAL 141 Cb 1.10 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3ff0 h VAL 141 CO 0.68 0.19 0.41 -0.26 0.02 0.00 0.00 177.57 178.61 3ff0 h PHE 142 N 0.98 0.36 -0.41 1.57 0.04 -2.00 -0.50 116.94 116.99 3ff0 h PHE 142 Ca 0.26 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 3ff0 h PHE 142 Cb -0.10 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 3ff0 h PHE 142 CO 0.00 0.16 0.05 1.96 -0.60 0.00 0.00 178.31 179.88 3ff0 h GLN 143 N 0.33 0.63 -0.13 1.51 1.08 -1.72 -1.93 115.11 114.87 3ff0 h GLN 143 Ca 0.29 -0.13 -0.23 0.00 -1.45 0.00 0.00 58.65 57.13 3ff0 h GLN 143 Cb 0.69 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 28.04 3ff0 h GLN 143 CO -0.07 0.61 -0.82 0.37 -0.95 0.00 0.00 178.83 177.98 3ff0 h GLN 144 N 0.61 0.79 -0.74 1.46 4.15 -1.19 -1.82 115.11 118.36 3ff0 h GLN 144 Ca 0.13 -0.67 0.11 0.00 0.77 0.00 0.00 58.65 59.00 3ff0 h GLN 144 Cb 0.30 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.06 3ff0 h GLN 144 CO 0.00 1.27 0.35 -0.07 -1.93 0.00 0.00 178.83 178.45 3ff0 h LEU 145 N 0.52 0.41 0.05 -2.39 3.38 -1.21 -0.49 115.31 115.59 3ff0 h LEU 145 Ca -0.06 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ff0 h LEU 145 Cb 1.45 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3ff0 h LEU 145 CO 0.17 0.21 -0.08 0.03 0.09 0.00 0.00 178.44 178.86 3ff0 h ARG 146 N 0.56 -0.16 -0.72 1.13 3.08 -1.29 0.15 114.38 117.12 3ff0 h ARG 146 Ca 0.38 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.53 3ff0 h ARG 146 Cb 0.48 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3ff0 h ARG 146 CO -0.32 -0.11 0.47 0.00 -1.07 0.00 0.00 179.97 178.95 3ff0 h ALA 147 N 0.77 1.81 -0.15 0.04 0.00 -0.77 0.07 119.26 121.03 3ff0 h ALA 147 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ff0 h ALA 147 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ff0 h ALA 147 CO -0.05 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3ff0 n LEU 148 N -4.49 1.48 -2.19 0.00 4.77 -0.24 -3.99 117.00 112.33 3ff0 n LEU 148 Ca 0.12 -0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 55.27 3ff0 n LEU 148 Cb 0.31 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3ff0 n LEU 148 CO 0.33 0.31 -0.25 -1.20 -1.33 0.00 0.00 177.39 175.25 3ff0 n SER 149 N 0.20 -5.78 -4.69 -1.43 7.64 0.01 -4.47 113.62 105.10 3ff0 n SER 149 Ca 0.16 0.12 -0.41 0.00 1.01 0.00 0.00 58.87 59.75 3ff0 n SER 149 Cb 0.30 -4.89 -0.04 0.00 -1.01 0.00 0.00 64.21 58.57 3ff0 n SER 149 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ff0 s ILE 150 N -2.96 4.96 0.23 0.44 1.01 0.42 -5.01 121.20 120.28 3ff0 s ILE 150 Ca 0.00 1.53 -0.32 0.00 0.00 0.00 0.00 60.65 61.87 3ff0 s ILE 150 Cb 0.00 -4.09 -0.14 0.00 0.01 0.00 0.00 42.46 38.25 3ff0 s ILE 150 CO 0.00 0.12 1.40 -2.65 0.00 0.00 0.00 174.94 173.81 3ff0 n PRO 151 N 4.63 1.96 -3.05 2.79 -0.02 -1.26 -4.31 135.00 135.74 3ff0 n PRO 151 Ca 0.02 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3ff0 n PRO 151 Cb 0.50 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 3ff0 n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ff0 s VAL 152 N -0.02 4.95 0.27 -1.45 1.01 -1.26 -5.02 120.40 118.87 3ff0 s VAL 152 Ca 0.69 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 3ff0 s VAL 152 Cb -0.67 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 31.63 3ff0 s VAL 152 CO 0.49 0.00 1.42 -2.84 0.00 0.00 0.00 175.10 174.17 3ff0 s PRO 153 N 2.59 4.27 -0.15 2.72 0.02 -1.26 -5.00 135.00 138.19 3ff0 s PRO 153 Ca 0.28 2.30 -0.05 0.00 0.02 0.00 0.00 61.00 63.55 3ff0 s PRO 153 Cb -0.15 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3ff0 s PRO 153 CO 0.08 -0.39 0.03 -0.65 -0.33 0.00 0.00 177.00 175.75 3ff0 s GLN 154 N -0.70 3.67 -0.27 5.54 -0.21 -1.26 -5.09 119.66 121.34 3ff0 s GLN 154 Ca 0.57 -0.38 -0.10 0.00 0.02 0.00 0.00 55.36 55.48 3ff0 s GLN 154 Cb -0.42 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 3ff0 s GLN 154 CO 0.46 0.39 0.15 0.42 -2.12 0.00 0.00 175.29 174.59 3ff0 s ILE 155 N 0.01 4.94 0.08 1.08 1.01 -1.26 -5.09 121.20 121.97 3ff0 s ILE 155 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 3ff0 s ILE 155 Cb -0.12 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3ff0 s ILE 155 CO 0.01 0.25 1.00 -0.75 0.00 0.00 0.00 174.94 175.46 3ff0 s LYS 156 N 1.70 4.62 -0.83 2.79 2.36 -1.26 -5.00 119.74 124.12 3ff0 s LYS 156 Ca 0.07 1.50 0.02 0.00 -2.55 0.00 0.00 55.97 55.00 3ff0 s LYS 156 Cb -0.16 -3.39 0.32 0.00 -1.05 0.00 0.00 37.83 33.55 3ff0 s LYS 156 CO 0.08 0.08 1.36 0.54 1.55 0.00 0.00 175.35 178.96 3ff0 n ARG 157 N 3.18 4.25 -1.65 4.03 1.74 -1.26 -5.07 116.66 121.88 3ff0 n ARG 157 Ca 0.04 -4.73 -0.50 0.00 -0.77 0.00 0.00 57.85 51.89 3ff0 n ARG 157 Cb 0.49 -2.37 -0.05 0.00 -1.02 0.00 0.00 32.46 29.51 3ff0 n ARG 157 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ff0 n GLU 158 N 0.12 1.69 -0.16 5.56 -0.00 -1.26 -1.69 120.64 124.90 3ff0 n GLU 158 Ca 0.37 0.61 0.00 0.00 -0.00 0.00 0.00 57.16 58.14 3ff0 n GLU 158 Cb 0.33 -2.34 0.00 0.00 -0.00 0.00 0.00 31.44 29.43 3ff0 n GLU 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ff0 n GLY 159 N 3.40 1.18 3.70 -1.84 0.00 -1.26 -5.04 105.19 105.34 3ff0 n GLY 159 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3ff0 n GLY 159 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ff0 n ILE 160 N -2.00 0.15 0.00 -0.61 3.06 -0.68 -5.36 119.36 113.93 3ff0 n ILE 160 Ca 0.00 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 3ff0 n ILE 160 Cb 0.00 -2.00 0.00 0.00 0.54 0.00 0.00 39.64 38.18 3ff0 n ILE 160 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40