#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j85 n LEU 2 N 0.00 0.00 -4.59 4.03 4.77 -1.26 -4.67 117.00 115.28 1j85 n LEU 2 Ca 0.00 -2.73 -0.33 0.00 -0.03 0.00 0.00 56.01 52.92 1j85 n LEU 2 Cb 0.00 0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 41.61 1j85 n LEU 2 CO 0.00 -0.41 -0.38 -1.81 -1.33 0.00 0.00 177.39 173.47 1j85 s ASP 3 N -3.28 4.66 -0.01 -1.43 1.01 -1.13 -1.62 116.67 114.87 1j85 s ASP 3 Ca 0.10 -0.05 0.08 0.00 0.71 0.00 0.00 52.55 53.39 1j85 s ASP 3 Cb 0.00 -1.15 -0.02 0.00 1.01 0.00 0.00 42.92 42.76 1j85 s ASP 3 CO 0.07 0.34 -0.25 -0.63 0.21 0.00 0.00 175.17 174.91 1j85 s ILE 4 N -0.86 1.99 -0.09 0.77 1.01 0.60 -1.14 121.20 123.49 1j85 s ILE 4 Ca 0.14 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1j85 s ILE 4 Cb -0.11 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1j85 s ILE 4 CO 0.03 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 1j85 s VAL 5 N -0.63 1.05 -0.35 2.92 1.01 0.34 0.28 120.40 125.01 1j85 s VAL 5 Ca 0.10 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1j85 s VAL 5 Cb -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1j85 s VAL 5 CO -0.00 0.35 0.36 -0.76 0.00 0.00 0.00 175.10 175.05 1j85 s LEU 6 N 1.16 4.51 -0.33 3.92 1.43 0.55 -0.52 118.68 129.41 1j85 s LEU 6 Ca -0.05 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 1j85 s LEU 6 Cb -0.14 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1j85 s LEU 6 CO -0.02 -0.37 1.01 -0.47 0.23 0.00 0.00 176.35 176.74 1j85 s TYR 7 N 2.01 3.14 -1.16 0.29 5.04 0.16 -0.22 117.35 126.61 1j85 s TYR 7 Ca 0.11 1.08 -0.18 0.00 -2.44 0.00 0.00 57.07 55.65 1j85 s TYR 7 Cb -0.17 -3.63 0.02 0.00 0.35 0.00 0.00 41.96 38.54 1j85 s TYR 7 CO 0.12 -0.75 0.33 0.39 -1.34 0.00 0.00 175.55 174.30 1j85 n GLU 8 N 6.77 -0.58 -1.77 4.97 1.02 -0.32 -3.11 120.64 127.62 1j85 n GLU 8 Ca 0.10 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.86 1j85 n GLU 8 Cb 0.47 -2.42 0.02 0.00 -0.02 0.00 0.00 31.44 29.50 1j85 n GLU 8 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1j85 s PRO 9 N -6.98 3.64 -0.22 3.49 0.04 -1.26 -4.51 135.00 129.19 1j85 s PRO 9 Ca 0.24 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1j85 s PRO 9 Cb -0.14 -2.63 -0.14 0.00 0.04 0.00 0.00 34.50 31.63 1j85 s PRO 9 CO 0.84 -0.86 -0.21 0.39 0.04 0.00 0.00 177.00 177.21 1j85 n GLU 10 N -0.26 0.55 -3.84 4.56 1.02 -1.26 -0.65 120.64 120.76 1j85 n GLU 10 Ca 0.05 0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1j85 n GLU 10 Cb 0.42 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 1j85 n GLU 10 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j85 s ILE 11 N -2.44 5.12 0.17 -3.67 1.01 -1.26 -3.82 121.20 116.31 1j85 s ILE 11 Ca -0.30 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 1j85 s ILE 11 Cb 0.08 -3.33 0.07 0.00 0.01 0.00 0.00 42.46 39.29 1j85 s ILE 11 CO 0.50 0.44 1.76 1.55 0.00 0.00 0.00 174.94 179.18 1j85 h PRO 12 N 6.81 0.35 -0.53 2.79 0.13 -1.93 -2.79 132.00 136.82 1j85 h PRO 12 Ca -0.39 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1j85 h PRO 12 Cb 1.16 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1j85 h PRO 12 CO 0.72 0.23 0.33 1.96 -0.23 0.00 0.00 178.00 181.02 1j85 h GLN 13 N 0.36 0.71 -0.21 0.86 7.50 -1.96 -0.77 115.11 121.61 1j85 h GLN 13 Ca 0.21 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.26 1j85 h GLN 13 Cb 0.19 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.56 1j85 h GLN 13 CO -0.20 0.49 -0.08 -0.91 -1.50 0.00 0.00 178.83 176.63 1j85 h ASN 14 N 0.73 0.43 -0.29 1.46 2.35 -1.91 -2.28 115.58 116.08 1j85 h ASN 14 Ca 0.19 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1j85 h ASN 14 Cb -0.05 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1j85 h ASN 14 CO -0.04 0.73 0.07 0.74 -1.65 0.00 0.00 177.43 177.28 1j85 h THR 15 N 0.13 1.18 -0.42 2.81 2.02 -1.33 -0.44 112.91 116.86 1j85 h THR 15 Ca 0.05 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 1j85 h THR 15 Cb 0.55 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1j85 h THR 15 CO 0.03 0.23 -0.09 1.23 0.37 0.00 0.00 175.52 177.29 1j85 h GLY 16 N 0.79 0.79 1.84 2.16 0.00 -0.96 0.25 103.07 107.94 1j85 h GLY 16 Ca 0.12 -0.57 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 1j85 h GLY 16 CO -0.00 0.53 -0.64 3.43 0.00 0.00 0.00 176.54 179.86 1j85 h ASN 17 N 0.67 0.19 0.50 0.19 2.35 -0.78 -2.06 115.58 116.63 1j85 h ASN 17 Ca 0.12 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 1j85 h ASN 17 Cb 0.54 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1j85 h ASN 17 CO 0.03 0.77 -0.81 0.40 -1.65 0.00 0.00 177.43 176.18 1j85 h ILE 18 N 0.12 1.46 -0.65 2.81 2.04 -0.63 -0.90 117.51 121.75 1j85 h ILE 18 Ca -0.01 -2.43 -0.07 0.00 1.00 0.00 0.00 64.86 63.34 1j85 h ILE 18 Cb 1.15 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 1j85 h ILE 18 CO 0.09 0.71 0.11 0.40 0.00 0.00 0.00 178.15 179.47 1j85 h ILE 19 N 0.14 1.26 -0.46 -0.67 2.04 -0.34 -0.91 117.51 118.57 1j85 h ILE 19 Ca -0.04 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 1j85 h ILE 19 Cb 1.40 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1j85 h ILE 19 CO 0.12 0.38 0.03 -0.09 0.00 0.00 0.00 178.15 178.60 1j85 h ARG 20 N 0.99 0.78 -0.26 2.37 9.65 -1.07 -1.76 114.38 125.10 1j85 h ARG 20 Ca 0.20 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1j85 h ARG 20 Cb 0.42 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1j85 h ARG 20 CO 0.01 0.82 0.02 1.25 2.80 0.00 0.00 179.97 184.88 1j85 h LEU 21 N 0.64 -0.05 -0.32 3.80 5.85 -0.90 0.21 115.31 124.54 1j85 h LEU 21 Ca 0.13 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1j85 h LEU 21 Cb 0.45 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1j85 h LEU 21 CO 0.02 0.01 0.17 0.00 -0.34 0.00 0.00 178.44 178.30 1j85 h ALA 23 N 1.04 1.14 0.00 0.00 0.00 -0.97 0.26 119.26 120.74 1j85 h ALA 23 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j85 h ALA 23 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1j85 h ALA 23 CO -0.02 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.87 1j85 n ASN 24 N -4.20 0.73 -0.00 0.00 3.02 0.71 -3.70 115.26 111.81 1j85 n ASN 24 Ca 0.02 0.66 0.02 0.00 -0.03 0.00 0.00 54.58 55.25 1j85 n ASN 24 Cb 0.32 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 1j85 n ASN 24 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1j85 n THR 25 N -2.28 0.00 -0.52 3.41 -2.24 -0.50 -4.99 114.28 107.15 1j85 n THR 25 Ca 0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1j85 n THR 25 Cb 0.27 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1j85 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j85 n GLY 26 N 1.87 0.73 3.79 3.38 0.00 0.01 -4.25 105.19 110.74 1j85 n GLY 26 Ca -0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1j85 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j85 s PHE 27 N -2.00 3.80 -0.08 1.61 0.08 -0.80 -1.20 117.98 119.40 1j85 s PHE 27 Ca 0.00 1.50 -0.23 0.00 0.12 0.00 0.00 56.93 58.32 1j85 s PHE 27 Cb 0.00 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 1j85 s PHE 27 CO 0.00 0.46 0.67 1.03 -0.10 0.00 0.00 175.22 177.29 1j85 s ARG 28 N -1.43 4.42 -0.17 0.44 0.52 -0.64 -4.46 118.95 117.63 1j85 s ARG 28 Ca 0.37 0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 56.32 1j85 s ARG 28 Cb -0.20 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1j85 s ARG 28 CO 0.23 0.07 0.12 -1.17 0.02 0.00 0.00 175.30 174.57 1j85 s LEU 29 N 0.81 4.21 0.08 2.53 2.96 -1.26 -0.29 118.68 127.73 1j85 s LEU 29 Ca 0.36 0.28 0.10 0.00 -0.22 0.00 0.00 54.13 54.65 1j85 s LEU 29 Cb -0.17 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1j85 s LEU 29 CO 0.17 0.25 -0.26 -1.00 -1.32 0.00 0.00 176.35 174.19 1j85 s HIS 30 N -0.09 2.26 -0.11 5.38 3.76 0.14 -1.68 115.29 124.95 1j85 s HIS 30 Ca 0.10 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1j85 s HIS 30 Cb -0.11 -1.30 0.02 0.00 1.11 0.00 0.00 32.58 32.30 1j85 s HIS 30 CO 0.00 0.22 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.45 1j85 s LEU 31 N -1.61 1.71 -0.33 0.89 1.43 0.25 -0.33 118.68 120.69 1j85 s LEU 31 Ca 0.12 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1j85 s LEU 31 Cb -0.10 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 1j85 s LEU 31 CO 0.04 0.01 0.47 -0.63 0.23 0.00 0.00 176.35 176.47 1j85 s ILE 32 N 1.05 5.07 0.79 -0.59 1.01 0.69 -1.01 121.20 128.21 1j85 s ILE 32 Ca -0.05 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1j85 s ILE 32 Cb -0.15 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1j85 s ILE 32 CO -0.03 -0.11 1.09 -1.61 0.00 0.00 0.00 174.94 174.28 1j85 s GLU 33 N 2.29 2.16 0.31 2.79 2.02 0.37 -1.17 118.70 127.46 1j85 s GLU 33 Ca 0.18 0.95 -0.29 0.00 0.02 0.00 0.00 54.97 55.83 1j85 s GLU 33 Cb -0.16 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 1j85 s GLU 33 CO 0.12 -1.65 1.17 -1.25 0.02 0.00 0.00 175.26 173.67 1j85 s PRO 34 N -4.99 4.47 0.42 0.39 0.04 -1.26 -4.55 135.00 129.52 1j85 s PRO 34 Ca 0.61 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 1j85 s PRO 34 Cb -0.16 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 1j85 s PRO 34 CO 0.56 0.02 0.66 -0.51 0.04 0.00 0.00 177.00 177.77 1j85 s LEU 35 N -1.72 3.77 0.00 -3.56 1.43 -1.26 -4.39 118.68 112.96 1j85 s LEU 35 Ca 0.48 0.55 0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1j85 s LEU 35 Cb -0.34 -3.44 0.38 0.00 0.03 0.00 0.00 46.19 42.83 1j85 s LEU 35 CO 0.44 -0.52 1.29 0.61 0.23 0.00 0.00 176.35 178.40 1j85 n GLY 36 N -2.03 0.04 3.35 -3.19 0.00 0.18 -4.88 105.19 98.65 1j85 n GLY 36 Ca -0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1j85 n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j85 s PHE 37 N -1.73 -0.25 0.38 1.61 -0.71 -1.26 -4.87 117.98 111.14 1j85 s PHE 37 Ca 0.20 -0.06 -0.24 0.00 -1.04 0.00 0.00 56.93 55.79 1j85 s PHE 37 Cb 0.10 0.31 -0.10 0.00 -1.21 0.00 0.00 43.02 42.12 1j85 s PHE 37 CO 0.14 -0.74 0.95 0.95 -1.34 0.00 0.00 175.22 175.19 1j85 s THR 38 N -3.80 4.26 0.10 -4.49 -4.23 -1.26 -4.87 115.64 101.35 1j85 s THR 38 Ca 0.03 1.64 0.24 0.00 -1.18 0.00 0.00 61.69 62.42 1j85 s THR 38 Cb 0.01 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 70.29 1j85 s THR 38 CO -0.11 -0.08 1.70 -0.25 -0.54 0.00 0.00 174.62 175.34 1j85 h TRP 39 N 2.56 0.00 -0.01 3.99 -0.00 -2.01 0.36 115.95 120.84 1j85 h TRP 39 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.41 1j85 h TRP 39 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 1j85 h TRP 39 CO 0.61 0.00 -0.65 -3.47 -0.00 0.00 0.00 178.44 174.94 1j85 n ASP 40 N -2.40 1.66 -4.36 2.65 2.03 -1.26 -4.91 116.55 109.97 1j85 n ASP 40 Ca -0.02 -1.33 -0.41 0.00 0.52 0.00 0.00 54.79 53.55 1j85 n ASP 40 Cb 0.16 0.64 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1j85 n ASP 40 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1j85 n ASP 41 N -0.53 -2.16 0.10 1.67 2.03 0.13 -4.76 116.55 113.03 1j85 n ASP 41 Ca 0.07 0.83 -0.03 0.00 0.52 0.00 0.00 54.79 56.19 1j85 n ASP 41 Cb 0.42 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1j85 n ASP 41 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1j85 h LYS 42 N 0.45 0.00 0.00 -0.67 1.57 -1.95 -2.35 116.57 113.63 1j85 h LYS 42 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1j85 h LYS 42 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1j85 h LYS 42 CO 0.48 0.78 0.00 0.54 -0.57 0.00 0.00 179.45 180.68 1j85 n ARG 43 N -3.43 0.09 -0.11 3.15 3.00 -1.26 -1.33 116.66 116.77 1j85 n ARG 43 Ca 0.00 0.34 -0.22 0.00 -0.01 0.00 0.00 57.85 57.96 1j85 n ARG 43 Cb 0.80 -1.68 -0.07 0.00 0.00 0.00 0.00 32.46 31.51 1j85 n ARG 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1j85 n LEU 44 N -1.85 1.69 -0.37 0.55 0.00 -1.20 -4.00 117.00 111.82 1j85 n LEU 44 Ca 0.03 0.29 0.02 0.00 0.00 0.00 0.00 56.01 56.35 1j85 n LEU 44 Cb 0.19 -0.69 0.18 0.00 0.00 0.00 0.00 43.42 43.09 1j85 n LEU 44 CO 0.16 0.34 1.27 -0.09 0.00 0.00 0.00 177.39 179.07 1j85 h ARG 45 N -0.85 1.15 -0.58 1.96 9.65 -1.40 -2.24 114.38 122.07 1j85 h ARG 45 Ca -0.49 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1j85 h ARG 45 Cb 1.40 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1j85 h ARG 45 CO -0.30 0.76 0.00 0.54 2.80 0.00 0.00 179.97 183.77 1j85 n ARG 46 N -4.49 3.82 0.00 0.20 1.74 -0.44 -4.32 116.66 113.17 1j85 n ARG 46 Ca 0.15 -2.89 0.04 0.00 -0.77 0.00 0.00 57.85 54.38 1j85 n ARG 46 Cb 0.17 -1.92 0.19 0.00 -1.02 0.00 0.00 32.46 29.89 1j85 n ARG 46 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1j85 n SER 47 N 0.84 0.00 0.00 0.55 3.41 -0.84 -4.70 113.62 112.88 1j85 n SER 47 Ca 0.25 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1j85 n SER 47 Cb 0.92 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1j85 n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j85 n GLY 48 N -0.62 0.91 3.77 5.00 0.00 -1.26 -5.06 105.19 107.93 1j85 n GLY 48 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1j85 n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j85 s LEU 49 N 0.00 4.40 -0.03 0.99 2.96 -1.26 -5.03 118.68 120.70 1j85 s LEU 49 Ca 0.00 2.14 -0.15 0.00 -0.22 0.00 0.00 54.13 55.90 1j85 s LEU 49 Cb 0.00 -3.85 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 1j85 s LEU 49 CO 0.00 -0.25 0.40 -0.62 -1.32 0.00 0.00 176.35 174.56 1j85 s ASP 50 N -1.19 6.76 0.22 3.68 2.15 -1.26 -4.87 116.67 122.16 1j85 s ASP 50 Ca 0.49 0.90 0.20 0.00 0.43 0.00 0.00 52.55 54.57 1j85 s ASP 50 Cb -0.27 -2.25 0.91 0.00 -0.30 0.00 0.00 42.92 41.01 1j85 s ASP 50 CO 0.35 0.27 1.60 -1.22 -0.17 0.00 0.00 175.17 176.00 1j85 n TYR 51 N 2.18 0.61 0.05 -5.34 4.02 -1.26 -1.87 117.16 115.55 1j85 n TYR 51 Ca -0.13 0.27 -0.03 0.00 -0.01 0.00 0.00 57.90 58.00 1j85 n TYR 51 Cb 0.52 -0.93 0.21 0.00 -0.02 0.00 0.00 39.34 39.12 1j85 n TYR 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1j85 h HIS 52 N 0.00 0.45 0.00 -0.72 3.86 -2.02 -2.34 115.15 114.38 1j85 h HIS 52 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1j85 h HIS 52 Cb 0.21 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1j85 h HIS 52 CO 0.00 0.67 0.00 0.39 0.86 0.00 0.00 177.93 179.85 1j85 n GLU 53 N -4.09 0.14 0.00 2.45 1.02 -0.78 -4.67 120.64 114.72 1j85 n GLU 53 Ca -0.01 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1j85 n GLU 53 Cb 0.43 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1j85 n GLU 53 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1j85 n PHE 54 N -2.19 0.00 -3.83 -0.32 3.01 -0.88 -4.74 117.46 108.51 1j85 n PHE 54 Ca -0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1j85 n PHE 54 Cb 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 1j85 n PHE 54 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j85 n ALA 55 N -3.00 -1.49 -0.88 4.37 0.00 -1.26 -4.45 120.51 113.80 1j85 n ALA 55 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1j85 n ALA 55 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1j85 n ALA 55 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j85 n GLU 56 N -3.51 0.00 -3.27 0.00 2.13 -1.26 -5.06 120.64 109.67 1j85 n GLU 56 Ca -0.14 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.31 1j85 n GLU 56 Cb 0.46 -0.30 -0.06 0.00 0.27 0.00 0.00 31.44 31.81 1j85 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1j85 s ILE 57 N 0.00 4.75 -0.03 6.31 1.01 -1.26 -4.12 121.20 127.86 1j85 s ILE 57 Ca 0.00 1.11 0.07 0.00 0.00 0.00 0.00 60.65 61.83 1j85 s ILE 57 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1j85 s ILE 57 CO 0.00 0.41 -0.23 -0.75 0.00 0.00 0.00 174.94 174.36 1j85 s LYS 58 N -1.50 2.08 -0.06 2.79 2.47 -0.68 -5.02 119.74 119.82 1j85 s LYS 58 Ca 0.34 -0.84 0.02 0.00 -1.56 0.00 0.00 55.97 53.93 1j85 s LYS 58 Cb -0.18 -1.91 -0.03 0.00 -1.46 0.00 0.00 37.83 34.25 1j85 s LYS 58 CO 0.19 0.45 -0.10 1.03 0.16 0.00 0.00 175.35 177.09 1j85 s ARG 59 N -0.39 2.68 -0.05 4.03 0.52 -1.26 -0.59 118.95 123.88 1j85 s ARG 59 Ca 0.04 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 1j85 s ARG 59 Cb -0.11 -2.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 1j85 s ARG 59 CO 0.01 0.64 -0.22 -1.01 0.02 0.00 0.00 175.30 174.74 1j85 s HIS 60 N -0.74 2.12 0.18 -0.53 3.76 -0.18 -4.93 115.29 114.97 1j85 s HIS 60 Ca 0.11 -0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 54.33 1j85 s HIS 60 Cb -0.11 -1.40 0.07 0.00 1.11 0.00 0.00 32.58 32.25 1j85 s HIS 60 CO 0.01 -0.19 1.58 0.87 -0.85 0.00 0.00 174.74 176.16 1j85 h LYS 61 N 6.13 0.92 -4.66 1.40 1.57 -1.88 0.11 116.57 120.16 1j85 h LYS 61 Ca -0.32 -0.38 -0.28 0.00 -1.87 0.00 0.00 60.65 57.79 1j85 h LYS 61 Cb 1.17 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 1j85 h LYS 61 CO 0.47 1.04 -0.61 0.95 -0.57 0.00 0.00 179.45 180.74 1j85 s THR 62 N -4.66 0.09 0.28 -0.16 -4.23 -1.26 -4.28 115.64 101.42 1j85 s THR 62 Ca -0.11 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1j85 s THR 62 Cb 0.13 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1j85 s THR 62 CO 0.86 0.00 1.67 0.15 -0.54 0.00 0.00 174.62 176.76 1j85 h PHE 63 N 2.54 0.34 0.00 3.99 3.04 -1.88 -1.30 116.94 123.67 1j85 h PHE 63 Ca -0.35 -0.09 -0.10 0.00 3.98 0.00 0.00 57.97 61.40 1j85 h PHE 63 Cb 1.25 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1j85 h PHE 63 CO 0.48 0.67 -0.49 0.93 -2.02 0.00 0.00 178.31 177.87 1j85 h GLU 64 N 0.24 0.00 -0.23 1.11 4.39 -1.99 -0.91 114.58 117.18 1j85 h GLU 64 Ca 0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1j85 h GLU 64 Cb 0.85 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1j85 h GLU 64 CO 0.07 0.49 -0.26 0.00 -1.16 0.00 0.00 179.01 178.16 1j85 h ALA 65 N 1.51 0.34 -0.33 3.43 0.00 -1.86 -1.55 119.26 120.80 1j85 h ALA 65 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1j85 h ALA 65 Cb 0.97 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1j85 h ALA 65 CO 0.06 0.32 0.06 0.35 0.00 0.00 0.00 179.25 180.05 1j85 h PHE 66 N 0.27 0.10 -0.88 0.00 3.04 -0.89 0.11 116.94 118.69 1j85 h PHE 66 Ca 0.03 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1j85 h PHE 66 Cb 0.82 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 1j85 h PHE 66 CO 0.08 0.01 0.58 -0.07 -2.02 0.00 0.00 178.31 176.90 1j85 h LEU 67 N 0.17 1.00 -0.05 0.59 3.38 -1.02 0.91 115.31 120.30 1j85 h LEU 67 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1j85 h LEU 67 Cb 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j85 h LEU 67 CO -0.21 0.72 0.00 -0.08 0.09 0.00 0.00 178.44 178.97 1j85 h GLU 68 N 1.18 0.08 0.00 1.13 4.81 -0.37 0.17 114.58 121.57 1j85 h GLU 68 Ca 0.33 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.36 1j85 h GLU 68 Cb -0.11 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1j85 h GLU 68 CO -0.08 0.35 -0.81 0.66 -0.73 0.00 0.00 179.01 178.40 1j85 h SER 69 N -0.20 0.00 0.04 1.04 4.64 -0.68 -3.36 113.55 115.03 1j85 h SER 69 Ca 0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 1j85 h SER 69 Cb 0.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1j85 h SER 69 CO 0.00 0.81 -2.17 -0.62 -0.87 0.00 0.00 176.83 173.99 1j85 n GLU 70 N -3.35 0.67 -3.52 4.77 -0.58 0.30 -5.01 120.64 113.93 1j85 n GLU 70 Ca 0.00 -0.07 -0.21 0.00 -0.42 0.00 0.00 57.16 56.47 1j85 n GLU 70 Cb 0.85 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1j85 n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1j85 n LYS 71 N -2.55 -0.94 -1.73 3.49 5.02 0.58 -4.76 118.16 117.27 1j85 n LYS 71 Ca -0.19 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 1j85 n LYS 71 Cb 0.89 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.41 1j85 n LYS 71 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1j85 n PRO 72 N -2.37 2.51 0.01 1.97 -0.04 -1.26 -4.91 135.00 130.90 1j85 n PRO 72 Ca -0.19 0.89 -0.12 0.00 -0.04 0.00 0.00 63.50 64.04 1j85 n PRO 72 Cb 0.46 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.24 1j85 n PRO 72 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1j85 h LYS 73 N 4.03 0.08 -3.76 0.54 3.64 -1.84 -3.42 116.57 115.84 1j85 h LYS 73 Ca -0.47 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 58.61 1j85 h LYS 73 Cb 1.24 -0.02 -0.31 0.00 -0.41 0.00 0.00 32.23 32.74 1j85 h LYS 73 CO 0.73 0.15 -0.73 1.03 -2.27 0.00 0.00 179.45 178.36 1j85 s ARG 74 N -5.82 0.12 -0.17 1.90 0.52 -1.26 -5.04 118.95 109.20 1j85 s ARG 74 Ca -0.13 0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.10 1j85 s ARG 74 Cb 0.06 -0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.30 1j85 s ARG 74 CO 0.67 -0.05 -0.12 -1.17 0.02 0.00 0.00 175.30 174.65 1j85 s LEU 75 N 0.47 2.64 0.10 2.53 2.96 -1.26 -1.25 118.68 124.87 1j85 s LEU 75 Ca -0.04 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1j85 s LEU 75 Cb -0.06 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1j85 s LEU 75 CO -0.01 0.08 0.15 -0.36 -1.32 0.00 0.00 176.35 174.89 1j85 s PHE 76 N 0.86 3.30 -0.11 5.38 0.08 0.13 -4.88 117.98 122.75 1j85 s PHE 76 Ca -0.03 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.13 1j85 s PHE 76 Cb -0.15 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1j85 s PHE 76 CO -0.00 0.54 -0.11 0.00 -0.10 0.00 0.00 175.22 175.55 1j85 s ALA 77 N -1.53 1.49 -0.34 5.36 0.00 -0.13 0.22 121.76 126.83 1j85 s ALA 77 Ca 0.32 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.38 1j85 s ALA 77 Cb -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1j85 s ALA 77 CO 0.25 -0.24 0.97 -1.17 0.00 0.00 0.00 175.76 175.56 1j85 s LEU 78 N 1.33 3.98 -0.12 0.00 2.96 -0.52 -0.47 118.68 125.85 1j85 s LEU 78 Ca -0.01 0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 54.59 1j85 s LEU 78 Cb -0.14 -3.35 0.03 0.00 0.50 0.00 0.00 46.19 43.24 1j85 s LEU 78 CO -0.05 -0.83 0.30 0.28 -1.32 0.00 0.00 176.35 174.73 1j85 s THR 79 N 3.47 -0.01 -0.81 3.68 -1.32 0.24 -4.38 115.64 116.52 1j85 s THR 79 Ca 0.40 0.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.98 1j85 s THR 79 Cb -0.12 -0.43 0.07 0.00 -1.51 0.00 0.00 72.50 70.51 1j85 s THR 79 CO 0.16 0.01 1.23 0.35 -2.21 0.00 0.00 174.62 174.16 1j85 n THR 80 N 3.12 1.61 1.29 5.08 -2.24 -1.26 -0.54 114.28 121.35 1j85 n THR 80 Ca -0.15 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 1j85 n THR 80 Cb 0.57 -1.46 0.42 0.00 -2.10 0.00 0.00 70.33 67.76 1j85 n THR 80 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j85 n LYS 81 N -1.69 0.96 -2.00 -0.78 5.02 -1.26 -4.94 118.16 113.48 1j85 n LYS 81 Ca 0.00 -0.55 -0.32 0.00 -2.02 0.00 0.00 58.31 55.42 1j85 n LYS 81 Cb 0.04 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1j85 n LYS 81 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1j85 s GLY 82 N -2.42 1.92 -0.23 0.72 0.00 0.30 -5.01 107.32 102.60 1j85 s GLY 82 Ca 0.27 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 45.02 1j85 s GLY 82 CO 0.49 0.47 -0.34 0.00 0.00 0.00 0.00 173.10 173.72 1j85 s PRO 84 N -2.63 3.67 0.80 0.00 0.05 -1.26 -4.79 135.00 130.84 1j85 s PRO 84 Ca -0.34 1.57 -0.12 0.00 0.05 0.00 0.00 61.00 62.16 1j85 s PRO 84 Cb 0.11 -2.18 0.07 0.00 0.05 0.00 0.00 34.50 32.54 1j85 s PRO 84 CO 0.45 -0.58 1.10 0.00 0.05 0.00 0.00 177.00 178.02 1j85 s ALA 85 N -1.76 2.25 0.41 8.56 0.00 -1.26 -1.57 121.76 128.39 1j85 s ALA 85 Ca 0.67 -0.27 0.22 0.00 0.00 0.00 0.00 51.96 52.59 1j85 s ALA 85 Cb -0.23 -3.09 1.23 0.00 0.00 0.00 0.00 23.12 21.03 1j85 s ALA 85 CO 0.27 -1.75 2.01 1.12 0.00 0.00 0.00 175.76 177.41 1j85 h HIS 86 N -1.10 0.00 -0.03 0.00 2.07 -1.59 -1.16 115.15 113.33 1j85 h HIS 86 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1j85 h HIS 86 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1j85 h HIS 86 CO 0.44 0.17 0.00 -1.13 -3.07 0.00 0.00 177.93 174.34 1j85 n SER 87 N -3.87 1.84 -0.54 3.10 3.41 -1.26 -4.20 113.62 112.09 1j85 n SER 87 Ca -0.02 -1.62 0.14 0.00 -0.26 0.00 0.00 58.87 57.11 1j85 n SER 87 Cb 0.27 -0.01 0.47 0.00 -0.26 0.00 0.00 64.21 64.68 1j85 n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j85 n GLN 88 N 0.44 1.75 -4.31 4.33 6.02 -0.44 -4.88 117.38 120.29 1j85 n GLN 88 Ca 0.18 -1.09 -0.25 0.00 -0.01 0.00 0.00 57.00 55.83 1j85 n GLN 88 Cb 0.41 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.11 1j85 n GLN 88 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1j85 s VAL 89 N -2.00 3.24 -0.38 5.09 -7.23 -1.25 -4.90 120.40 112.97 1j85 s VAL 89 Ca 0.37 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.60 1j85 s VAL 89 Cb 0.21 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.52 1j85 s VAL 89 CO 0.33 -0.26 0.20 -0.54 -0.31 0.00 0.00 175.10 174.51 1j85 s LYS 90 N -3.29 2.66 0.61 4.82 1.02 -1.26 -5.06 119.74 119.23 1j85 s LYS 90 Ca 0.28 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.85 1j85 s LYS 90 Cb -0.07 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1j85 s LYS 90 CO 0.17 -0.79 1.09 -0.06 -0.92 0.00 0.00 175.35 174.84 1j85 s PHE 91 N 1.45 2.77 0.07 3.18 0.40 -1.26 -5.07 117.98 119.53 1j85 s PHE 91 Ca 0.01 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 57.81 1j85 s PHE 91 Cb -0.21 -3.13 -0.01 0.00 0.51 0.00 0.00 43.02 40.19 1j85 s PHE 91 CO 0.04 -1.43 0.13 -1.59 0.70 0.00 0.00 175.22 173.07 1j85 s LYS 92 N -3.92 0.76 0.31 0.44 -2.85 -1.26 -4.93 119.74 108.28 1j85 s LYS 92 Ca 0.67 -0.98 -0.29 0.00 -1.00 0.00 0.00 55.97 54.37 1j85 s LYS 92 Cb -0.19 0.30 -0.13 0.00 -2.06 0.00 0.00 37.83 35.75 1j85 s LYS 92 CO 0.37 -0.22 1.23 1.28 0.10 0.00 0.00 175.35 178.11 1j85 n LEU 93 N 0.11 2.98 0.00 2.77 4.77 -1.26 -1.10 117.00 125.26 1j85 n LEU 93 Ca -0.15 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1j85 n LEU 93 Cb 0.61 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1j85 n LEU 93 CO 0.24 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 1j85 n GLY 94 N 1.13 1.81 3.77 -0.72 0.00 -1.26 -5.00 105.19 104.92 1j85 n GLY 94 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1j85 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j85 s ASP 95 N -1.51 6.83 -0.13 1.61 -0.00 -0.26 -3.13 116.67 120.07 1j85 s ASP 95 Ca 0.00 2.45 0.01 0.00 -0.00 0.00 0.00 52.55 55.01 1j85 s ASP 95 Cb 0.00 -2.63 -0.00 0.00 -0.00 0.00 0.00 42.92 40.28 1j85 s ASP 95 CO 0.00 -0.47 -0.17 -0.31 -0.00 0.00 0.00 175.17 174.22 1j85 s TYR 96 N -1.24 2.73 -0.24 4.23 1.51 -0.38 -2.85 117.35 121.11 1j85 s TYR 96 Ca 0.50 -0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1j85 s TYR 96 Cb -0.34 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1j85 s TYR 96 CO 0.45 -0.39 0.01 -0.51 -1.11 0.00 0.00 175.55 173.99 1j85 s LEU 97 N 0.57 3.22 -0.06 -1.29 1.02 -0.29 0.22 118.68 122.07 1j85 s LEU 97 Ca -0.10 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.60 1j85 s LEU 97 Cb -0.16 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 1j85 s LEU 97 CO 0.04 -0.06 0.03 -0.32 0.02 0.00 0.00 176.35 176.06 1j85 s MET 98 N 1.51 3.01 0.04 1.70 1.75 0.13 -0.50 119.30 126.94 1j85 s MET 98 Ca 0.05 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.12 1j85 s MET 98 Cb -0.15 -2.83 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 1j85 s MET 98 CO -0.01 0.68 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.81 1j85 s PHE 99 N -1.01 1.61 0.82 4.11 0.40 0.33 -1.43 117.98 122.80 1j85 s PHE 99 Ca 0.17 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 1j85 s PHE 99 Cb -0.12 -0.97 0.16 0.00 0.51 0.00 0.00 43.02 42.61 1j85 s PHE 99 CO 0.07 0.06 1.12 0.20 0.70 0.00 0.00 175.22 177.37 1j85 s GLY 100 N -1.07 1.77 0.96 4.36 0.00 -1.26 0.39 107.32 112.46 1j85 s GLY 100 Ca 0.06 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 1j85 s GLY 100 CO 0.01 -0.89 1.10 -4.14 0.00 0.00 0.00 173.10 169.17 1j85 s PRO 101 N -5.43 0.71 0.00 2.90 0.02 -1.18 -4.71 135.00 127.31 1j85 s PRO 101 Ca 0.69 1.13 0.24 0.00 0.02 0.00 0.00 61.00 63.09 1j85 s PRO 101 Cb -0.05 -1.72 1.15 0.00 0.02 0.00 0.00 34.50 33.90 1j85 s PRO 101 CO 0.48 -2.70 1.79 -0.85 -0.33 0.00 0.00 177.00 175.39 1j85 n GLU 102 N -4.24 0.22 -0.01 5.54 0.00 -1.26 -3.70 120.64 117.18 1j85 n GLU 102 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 57.16 57.32 1j85 n GLU 102 Cb 0.54 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.49 1j85 n GLU 102 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1j85 n THR 103 N -1.37 0.22 -3.71 3.84 -2.24 -1.26 -4.96 114.28 104.81 1j85 n THR 103 Ca 0.09 -0.61 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 1j85 n THR 103 Cb 0.23 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1j85 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j85 s ARG 104 N -0.42 1.29 0.74 -0.78 1.70 -1.24 -5.18 118.95 115.06 1j85 s ARG 104 Ca 0.04 -0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 54.61 1j85 s ARG 104 Cb 0.03 0.47 0.13 0.00 -0.57 0.00 0.00 34.95 35.01 1j85 s ARG 104 CO 0.04 -0.58 1.03 0.20 -1.08 0.00 0.00 175.30 174.90 1j85 s GLY 105 N -2.84 1.76 0.28 3.88 0.00 -1.26 -3.25 107.32 105.88 1j85 s GLY 105 Ca 0.10 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 1j85 s GLY 105 CO 0.00 -1.07 1.45 -0.42 0.00 0.00 0.00 173.10 173.06 1j85 s ILE 106 N -3.22 2.50 0.33 0.90 1.01 -1.26 -4.66 121.20 116.80 1j85 s ILE 106 Ca 0.67 0.44 -0.26 0.00 0.00 0.00 0.00 60.65 61.50 1j85 s ILE 106 Cb -0.05 -3.28 -0.14 0.00 0.01 0.00 0.00 42.46 39.00 1j85 s ILE 106 CO 0.45 0.08 0.81 -2.65 0.00 0.00 0.00 174.94 173.63 1j85 n PRO 107 N 1.92 0.94 0.19 2.79 -0.02 -1.26 -4.74 135.00 134.83 1j85 n PRO 107 Ca 0.06 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 1j85 n PRO 107 Cb 0.40 -1.65 0.46 0.00 -0.02 0.00 0.00 33.50 32.69 1j85 n PRO 107 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1j85 h MET 108 N 1.47 0.07 -0.83 -0.52 2.86 -1.98 -0.54 114.93 115.46 1j85 h MET 108 Ca -0.39 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1j85 h MET 108 Cb 1.37 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.98 1j85 h MET 108 CO 0.57 0.25 0.37 0.66 1.06 0.00 0.00 176.91 179.82 1j85 h SER 109 N 0.07 1.11 0.14 1.22 4.64 -1.99 0.27 113.55 119.01 1j85 h SER 109 Ca 0.01 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1j85 h SER 109 Cb 0.35 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1j85 h SER 109 CO 0.02 0.95 -0.07 0.40 -0.87 0.00 0.00 176.83 177.27 1j85 h ILE 110 N 1.19 0.99 -0.64 0.95 2.04 -1.65 -3.27 117.51 117.12 1j85 h ILE 110 Ca 0.28 -1.05 0.15 0.00 1.00 0.00 0.00 64.86 65.24 1j85 h ILE 110 Cb 0.16 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1j85 h ILE 110 CO -0.03 0.23 0.44 -0.07 0.00 0.00 0.00 178.15 178.72 1j85 h LEU 111 N -0.74 0.19 -0.56 1.44 4.07 -0.92 1.00 115.31 119.79 1j85 h LEU 111 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1j85 h LEU 111 Cb 0.52 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1j85 h LEU 111 CO 0.03 0.10 0.00 0.59 -1.08 0.00 0.00 178.44 178.08 1j85 n ASN 112 N -4.42 0.36 -0.98 -0.43 5.03 0.93 -2.30 115.26 113.45 1j85 n ASN 112 Ca 0.12 0.62 0.08 0.00 0.87 0.00 0.00 54.58 56.26 1j85 n ASN 112 Cb 0.57 -0.68 0.24 0.00 -1.02 0.00 0.00 39.78 38.89 1j85 n ASN 112 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j85 n GLU 113 N -1.93 3.12 -4.48 3.52 1.02 0.34 -4.96 120.64 117.27 1j85 n GLU 113 Ca 0.01 -2.52 -0.30 0.00 -0.02 0.00 0.00 57.16 54.33 1j85 n GLU 113 Cb 0.14 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 29.83 1j85 n GLU 113 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1j85 s MET 114 N -1.77 2.08 0.56 3.49 -1.94 -0.97 -5.10 119.30 115.65 1j85 s MET 114 Ca 0.37 -1.00 -0.18 0.00 -1.71 0.00 0.00 55.69 53.17 1j85 s MET 114 Cb 0.24 -2.23 -0.05 0.00 2.01 0.00 0.00 34.83 34.80 1j85 s MET 114 CO 0.16 0.53 1.10 -1.25 -0.01 0.00 0.00 175.02 175.55 1j85 s PRO 115 N -1.72 3.32 0.42 2.03 0.04 -1.26 -4.89 135.00 132.95 1j85 s PRO 115 Ca 0.17 1.47 0.16 0.00 0.04 0.00 0.00 61.00 62.84 1j85 s PRO 115 Cb -0.11 -2.01 1.06 0.00 0.04 0.00 0.00 34.50 33.48 1j85 s PRO 115 CO 0.08 -0.84 1.88 0.52 0.04 0.00 0.00 177.00 178.67 1j85 h MET 116 N 0.94 0.41 0.00 4.56 2.86 -1.94 -0.81 114.93 120.95 1j85 h MET 116 Ca -0.49 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1j85 h MET 116 Cb 1.25 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1j85 h MET 116 CO 0.57 0.27 0.00 0.39 1.06 0.00 0.00 176.91 179.20 1j85 n GLU 117 N -4.50 0.11 -0.08 1.72 4.71 -1.26 -2.28 120.64 119.05 1j85 n GLU 117 Ca 0.18 0.46 0.05 0.00 -0.01 0.00 0.00 57.16 57.84 1j85 n GLU 117 Cb 0.63 -1.76 0.09 0.00 -1.01 0.00 0.00 31.44 29.39 1j85 n GLU 117 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1j85 n GLN 118 N -1.98 1.62 -3.47 3.49 6.02 -0.31 -4.86 117.38 117.88 1j85 n GLN 118 Ca 0.01 -1.55 -0.43 0.00 -0.01 0.00 0.00 57.00 55.02 1j85 n GLN 118 Cb 0.13 -1.22 -0.08 0.00 1.02 0.00 0.00 30.24 30.08 1j85 n GLN 118 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1j85 s LYS 119 N -0.93 2.79 0.22 -1.09 1.02 -0.97 -0.96 119.74 119.82 1j85 s LYS 119 Ca 0.17 -1.49 0.08 0.00 0.02 0.00 0.00 55.97 54.74 1j85 s LYS 119 Cb 0.10 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1j85 s LYS 119 CO 0.14 -1.06 0.06 0.96 -0.92 0.00 0.00 175.35 174.52 1j85 s ILE 120 N 1.53 3.90 0.05 2.17 -4.36 0.39 -2.72 121.20 122.15 1j85 s ILE 120 Ca 0.04 -1.53 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 1j85 s ILE 120 Cb -0.25 -3.04 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 1j85 s ILE 120 CO 0.04 -0.25 -0.10 0.00 0.24 0.00 0.00 174.94 174.87 1j85 s ARG 121 N -3.39 0.62 -0.08 0.37 1.70 -0.61 -0.59 118.95 116.97 1j85 s ARG 121 Ca 0.30 -0.77 -0.24 0.00 -0.47 0.00 0.00 55.73 54.55 1j85 s ARG 121 Cb -0.08 -0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 1j85 s ARG 121 CO 0.21 0.10 0.71 0.42 -1.08 0.00 0.00 175.30 175.66 1j85 s ILE 122 N -1.24 5.03 0.64 4.99 1.01 -1.26 -1.43 121.20 128.93 1j85 s ILE 122 Ca -0.07 1.45 -0.18 0.00 0.00 0.00 0.00 60.65 61.86 1j85 s ILE 122 Cb -0.09 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1j85 s ILE 122 CO 0.01 0.23 1.25 -2.84 0.00 0.00 0.00 174.94 173.58 1j85 s PRO 123 N 0.96 2.65 0.02 2.79 0.02 -1.26 -5.01 135.00 135.17 1j85 s PRO 123 Ca 0.37 1.93 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1j85 s PRO 123 Cb -0.18 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.48 1j85 s PRO 123 CO 0.17 -1.48 0.21 -1.64 -0.33 0.00 0.00 177.00 173.93 1j85 s MET 124 N -3.44 0.64 0.90 5.54 -1.94 -1.26 -5.17 119.30 114.57 1j85 s MET 124 Ca 0.79 -0.48 -0.13 0.00 -1.71 0.00 0.00 55.69 54.16 1j85 s MET 124 Cb -0.33 0.27 0.17 0.00 2.01 0.00 0.00 34.83 36.94 1j85 s MET 124 CO 0.38 -0.18 1.24 0.95 -0.01 0.00 0.00 175.02 177.41 1j85 s THR 125 N -2.01 2.03 0.25 2.05 -4.23 -1.26 -4.98 115.64 107.49 1j85 s THR 125 Ca -0.09 -0.10 -0.31 0.00 -1.18 0.00 0.00 61.69 60.01 1j85 s THR 125 Cb -0.04 -2.94 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 1j85 s THR 125 CO -0.01 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.50 1j85 n ALA 126 N -3.54 1.30 -3.62 3.99 0.00 -1.26 -3.37 120.51 114.02 1j85 n ALA 126 Ca 0.14 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.78 1j85 n ALA 126 Cb 0.60 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.80 1j85 n ALA 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j85 n ASN 127 N 2.14 -1.88 -4.53 0.00 3.02 -1.26 -5.00 115.26 107.75 1j85 n ASN 127 Ca 0.11 -0.79 -0.25 0.00 -0.03 0.00 0.00 54.58 53.62 1j85 n ASN 127 Cb 0.32 -4.28 0.13 0.00 -0.61 0.00 0.00 39.78 35.34 1j85 n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j85 s SER 128 N -4.25 3.99 0.30 6.41 1.04 -1.22 -5.11 113.70 114.86 1j85 s SER 128 Ca 0.06 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.26 1j85 s SER 128 Cb -0.01 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 1j85 s SER 128 CO 0.80 -2.12 -0.09 -0.13 0.98 0.00 0.00 173.24 172.67 1j85 s ARG 129 N -5.32 1.65 0.26 4.02 0.52 -1.26 -5.09 118.95 113.72 1j85 s ARG 129 Ca 0.69 -1.83 -0.31 0.00 -0.52 0.00 0.00 55.73 53.76 1j85 s ARG 129 Cb -0.04 -1.43 -0.12 0.00 0.52 0.00 0.00 34.95 33.88 1j85 s ARG 129 CO 0.47 0.12 1.55 -1.13 0.02 0.00 0.00 175.30 176.32 1j85 n SER 130 N -0.65 3.45 -4.82 0.23 3.41 -1.26 -4.98 113.62 109.01 1j85 n SER 130 Ca -0.05 1.13 -0.35 0.00 -0.26 0.00 0.00 58.87 59.34 1j85 n SER 130 Cb 0.63 -1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 62.99 1j85 n SER 130 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1j85 s MET 131 N -0.22 4.26 0.28 4.33 1.75 -1.26 -5.01 119.30 123.43 1j85 s MET 131 Ca 0.67 0.95 -0.30 0.00 -1.25 0.00 0.00 55.69 55.76 1j85 s MET 131 Cb -0.56 -2.66 -0.11 0.00 2.84 0.00 0.00 34.83 34.34 1j85 s MET 131 CO 0.47 0.26 1.55 1.21 -0.65 0.00 0.00 175.02 177.85 1j85 s ASN 132 N -1.87 6.45 0.21 1.11 3.84 -1.26 -4.80 114.94 118.62 1j85 s ASN 132 Ca 0.50 2.88 -0.18 0.00 0.21 0.00 0.00 52.86 56.26 1j85 s ASN 132 Cb -0.14 -2.63 0.18 0.00 -0.55 0.00 0.00 41.25 38.11 1j85 s ASN 132 CO 0.20 -0.86 1.58 0.25 -2.79 0.00 0.00 177.10 175.48 1j85 h LEU 133 N 4.86 -1.14 -1.39 3.21 5.85 -1.95 -0.17 115.31 124.57 1j85 h LEU 133 Ca -0.47 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1j85 h LEU 133 Cb 1.22 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 1j85 h LEU 133 CO 0.79 -0.29 0.38 0.77 -0.34 0.00 0.00 178.44 179.74 1j85 h SER 134 N -0.10 0.69 -0.60 1.25 4.64 -1.91 0.49 113.55 118.02 1j85 h SER 134 Ca 0.28 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1j85 h SER 134 Cb 0.56 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1j85 h SER 134 CO -0.77 0.51 0.04 0.78 -0.87 0.00 0.00 176.83 176.52 1j85 h ASN 135 N 0.81 1.00 -0.60 4.97 2.35 -1.46 -0.15 115.58 122.50 1j85 h ASN 135 Ca 0.22 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1j85 h ASN 135 Cb -0.07 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 1j85 h ASN 135 CO -0.04 1.04 0.36 0.28 -1.65 0.00 0.00 177.43 177.42 1j85 h SER 136 N 0.93 0.71 -0.33 5.81 0.02 0.15 -0.68 113.55 120.17 1j85 h SER 136 Ca 0.18 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1j85 h SER 136 Cb 0.50 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1j85 h SER 136 CO 0.02 0.56 -0.43 0.58 -1.14 0.00 0.00 176.83 176.42 1j85 h VAL 137 N 0.81 1.28 -0.08 2.27 2.07 -0.87 -1.58 116.25 120.15 1j85 h VAL 137 Ca 0.21 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1j85 h VAL 137 Cb -0.02 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1j85 h VAL 137 CO -0.04 0.53 0.03 0.00 0.02 0.00 0.00 177.57 178.11 1j85 h ALA 138 N 0.72 0.10 -0.43 1.67 0.00 -0.75 -0.88 119.26 119.69 1j85 h ALA 138 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1j85 h ALA 138 Cb 1.03 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1j85 h ALA 138 CO 0.10 -0.33 0.13 0.28 0.00 0.00 0.00 179.25 179.43 1j85 h VAL 139 N -0.02 0.83 -0.19 0.00 2.07 -1.09 -1.58 116.25 116.27 1j85 h VAL 139 Ca 0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1j85 h VAL 139 Cb 0.14 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1j85 h VAL 139 CO -0.00 0.05 -0.01 0.74 0.02 0.00 0.00 177.57 178.37 1j85 h THR 140 N 0.28 1.26 -0.29 2.57 2.02 -1.01 -1.85 112.91 115.88 1j85 h THR 140 Ca 0.20 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.53 1j85 h THR 140 Cb 0.22 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1j85 h THR 140 CO -0.23 0.27 0.10 0.58 0.37 0.00 0.00 175.52 176.61 1j85 h VAL 141 N 0.09 0.92 0.00 3.16 2.07 -1.01 0.82 116.25 122.30 1j85 h VAL 141 Ca 0.05 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1j85 h VAL 141 Cb 0.41 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1j85 h VAL 141 CO 0.01 0.04 -0.38 1.88 0.02 0.00 0.00 177.57 179.14 1j85 h TYR 142 N 0.23 0.00 -0.04 1.57 0.05 -1.25 0.30 116.97 117.82 1j85 h TYR 142 Ca 0.13 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.75 1j85 h TYR 142 Cb 0.10 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.85 1j85 h TYR 142 CO -0.13 0.38 -0.59 1.49 -1.05 0.00 0.00 178.16 178.25 1j85 h GLU 143 N 0.00 0.48 -0.72 4.88 4.57 -0.82 0.39 114.58 123.35 1j85 h GLU 143 Ca -0.00 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.68 1j85 h GLU 143 Cb 0.74 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 1j85 h GLU 143 CO 0.05 1.10 0.28 0.00 -1.18 0.00 0.00 179.01 179.26 1j85 h ALA 144 N 0.39 1.13 -0.60 2.92 0.00 -0.48 -1.53 119.26 121.09 1j85 h ALA 144 Ca -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1j85 h ALA 144 Cb 1.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1j85 h ALA 144 CO 0.12 0.62 0.23 2.35 0.00 0.00 0.00 179.25 182.56 1j85 h TRP 145 N 1.05 0.93 -0.37 0.00 7.01 -0.32 -2.06 115.95 122.19 1j85 h TRP 145 Ca 0.24 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.20 1j85 h TRP 145 Cb 0.21 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 1j85 h TRP 145 CO 0.02 0.75 0.17 -0.09 -2.79 0.00 0.00 178.44 176.49 1j85 h ARG 146 N 0.84 0.34 -0.48 2.65 2.43 -0.59 0.15 114.38 119.72 1j85 h ARG 146 Ca 0.20 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1j85 h ARG 146 Cb 0.23 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1j85 h ARG 146 CO -0.01 0.22 0.29 1.96 -1.51 0.00 0.00 179.97 180.91 1j85 h GLN 147 N 0.35 0.65 -0.59 0.20 4.20 -0.94 -2.18 115.11 116.80 1j85 h GLN 147 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1j85 h GLN 147 Cb 0.09 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1j85 h GLN 147 CO -0.13 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 179.77 1j85 n LEU 148 N -4.43 3.09 -0.45 1.46 4.77 -0.73 -4.92 117.00 115.79 1j85 n LEU 148 Ca 0.04 -1.56 -0.06 0.00 -0.03 0.00 0.00 56.01 54.40 1j85 n LEU 148 Cb 0.08 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1j85 n LEU 148 CO 0.36 0.54 -0.06 0.61 -1.33 0.00 0.00 177.39 177.52 1j85 n GLY 149 N 0.81 0.83 3.95 -0.72 0.00 -0.74 -3.84 105.19 105.48 1j85 n GLY 149 Ca 0.16 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1j85 n GLY 149 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j85 n TYR 150 N -2.84 -2.13 -2.00 1.61 0.53 0.46 -4.86 117.16 107.93 1j85 n TYR 150 Ca -0.06 0.87 -0.41 0.00 -1.02 0.00 0.00 57.90 57.28 1j85 n TYR 150 Cb 0.20 -3.83 -0.02 0.00 -1.03 0.00 0.00 39.34 34.65 1j85 n TYR 150 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 1j85 s LYS 151 N -6.61 4.26 0.00 -0.72 3.01 -1.25 -1.74 119.74 116.69 1j85 s LYS 151 Ca 0.57 2.32 0.00 0.00 -1.01 0.00 0.00 55.97 57.85 1j85 s LYS 151 Cb -0.29 -3.09 0.00 0.00 -1.01 0.00 0.00 37.83 33.44 1j85 s LYS 151 CO 0.85 -0.41 0.00 0.41 0.51 0.00 0.00 175.35 176.71 1j85 n GLY 152 N 1.93 0.98 3.78 -3.33 0.00 -1.26 -4.89 105.19 102.40 1j85 n GLY 152 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1j85 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j85 s ALA 153 N -2.25 2.82 0.01 4.61 0.00 -0.71 -5.04 121.76 121.19 1j85 s ALA 153 Ca 0.00 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1j85 s ALA 153 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1j85 s ALA 153 CO 0.00 -0.61 0.30 0.14 0.00 0.00 0.00 175.76 175.60 1j85 s VAL 154 N -1.76 0.07 1.15 0.00 -7.23 -1.26 -5.15 120.40 106.21 1j85 s VAL 154 Ca 0.69 -0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 60.12 1j85 s VAL 154 Cb -0.23 -0.73 0.26 0.00 0.56 0.00 0.00 36.38 36.24 1j85 s VAL 154 CO 0.27 -0.31 1.14 0.20 -0.31 0.00 0.00 175.10 176.10 1j85 s ASN 155 N -1.60 1.43 0.00 4.85 0.01 -1.26 -5.26 114.94 113.11 1j85 s ASN 155 Ca -0.10 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 52.65 1j85 s ASN 155 Cb -0.04 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.78 1j85 s ASN 155 CO 0.02 -3.81 0.18 -0.11 -1.51 0.00 0.00 177.10 171.86