#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nj2 h GLU 25 N 0.00 0.45 0.00 -1.46 3.07 -2.05 -2.79 114.58 111.80 3nj2 h GLU 25 Ca 0.00 -0.77 -0.11 0.00 -0.50 0.00 0.00 59.36 57.98 3nj2 h GLU 25 Cb 0.00 0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3nj2 h GLU 25 CO 0.00 1.36 -0.54 1.79 -1.40 0.00 0.00 179.01 180.22 3nj2 h THR 26 N 0.12 1.32 0.48 1.13 1.35 -2.05 -2.50 112.91 112.76 3nj2 h THR 26 Ca -0.25 -1.90 -0.02 0.00 -0.55 0.00 0.00 66.41 63.68 3nj2 h THR 26 Cb 2.12 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 70.59 3nj2 h THR 26 CO 0.24 0.53 -0.23 0.78 -0.25 0.00 0.00 175.52 176.59 3nj2 h ASN 27 N 0.00 -0.55 -0.99 5.36 2.35 -2.00 -0.15 115.58 119.60 3nj2 h ASN 27 Ca -0.01 -0.06 0.13 0.00 -0.55 0.00 0.00 56.30 55.81 3nj2 h ASN 27 Cb 1.00 0.14 -0.08 0.00 0.05 0.00 0.00 38.32 39.43 3nj2 h ASN 27 CO 0.07 -0.25 0.63 0.74 -1.65 0.00 0.00 177.43 176.96 3nj2 h THR 28 N -0.84 0.90 -0.29 2.81 2.02 -1.47 -0.94 112.91 115.10 3nj2 h THR 28 Ca -0.07 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 3nj2 h THR 28 Cb 0.58 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3nj2 h THR 28 CO 0.11 0.17 -0.06 0.25 0.37 0.00 0.00 175.52 176.36 3nj2 h LEU 29 N 0.95 0.56 -1.15 2.58 5.85 -1.40 -2.66 115.31 120.03 3nj2 h LEU 29 Ca 0.50 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3nj2 h LEU 29 Cb 0.54 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3nj2 h LEU 29 CO -0.27 0.79 0.58 0.25 -0.34 0.00 0.00 178.44 179.45 3nj2 h LEU 30 N 0.32 0.96 -1.14 2.25 5.85 -0.13 0.63 115.31 124.04 3nj2 h LEU 30 Ca 0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3nj2 h LEU 30 Cb 0.54 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3nj2 h LEU 30 CO 0.03 0.67 0.57 0.58 -0.34 0.00 0.00 178.44 179.94 3nj2 h VAL 31 N 1.12 1.22 -0.06 1.05 2.07 -1.07 0.81 116.25 121.40 3nj2 h VAL 31 Ca 0.34 -0.42 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 3nj2 h VAL 31 Cb -0.02 -0.04 0.02 0.00 -1.52 0.00 0.00 31.29 29.73 3nj2 h VAL 31 CO -0.10 0.22 -0.88 -0.08 0.02 0.00 0.00 177.57 176.76 3nj2 h GLU 32 N 1.17 0.69 0.00 1.57 4.81 -0.92 -3.37 114.58 118.54 3nj2 h GLU 32 Ca 0.32 -0.67 -0.22 0.00 -0.13 0.00 0.00 59.36 58.65 3nj2 h GLU 32 Cb -0.13 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3nj2 h GLU 32 CO -0.07 1.27 -1.37 1.96 -0.73 0.00 0.00 179.01 180.07 3nj2 h GLN 33 N 0.37 0.00 -6.19 1.92 4.20 -0.72 -3.47 115.11 111.22 3nj2 h GLN 33 Ca -0.09 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.05 3nj2 h GLN 33 Cb 1.53 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.27 3nj2 h GLN 33 CO 0.18 0.54 0.83 0.45 -0.67 0.00 0.00 178.83 180.16 3nj2 s SER 34 N -6.17 6.99 0.34 1.46 0.15 0.26 -4.91 113.70 111.83 3nj2 s SER 34 Ca -0.02 1.70 0.03 0.00 0.70 0.00 0.00 55.95 58.35 3nj2 s SER 34 Cb 0.09 -2.54 0.64 0.00 -1.71 0.00 0.00 66.02 62.49 3nj2 s SER 34 CO 0.81 -0.70 1.97 -0.65 1.20 0.00 0.00 173.24 175.87 3nj2 h PRO 35 N 7.92 0.85 -0.20 5.44 0.11 -1.91 0.17 132.00 144.39 3nj2 h PRO 35 Ca -0.28 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3nj2 h PRO 35 Cb 1.12 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3nj2 h PRO 35 CO 0.94 0.56 0.04 0.35 -0.21 0.00 0.00 178.00 179.69 3nj2 h PHE 36 N 0.88 0.35 -0.11 0.65 3.57 -1.94 -0.89 116.94 119.45 3nj2 h PHE 36 Ca 0.29 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3nj2 h PHE 36 Cb 0.08 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3nj2 h PHE 36 CO -0.00 0.46 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.04 3nj2 h LEU 37 N 0.13 0.26 -0.53 0.59 3.38 -1.73 -0.27 115.31 117.13 3nj2 h LEU 37 Ca 0.06 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3nj2 h LEU 37 Cb 0.30 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3nj2 h LEU 37 CO 0.00 0.66 -0.06 1.56 0.09 0.00 0.00 178.44 180.69 3nj2 h GLN 38 N 0.20 0.97 -0.76 1.13 1.08 -0.60 -1.18 115.11 115.95 3nj2 h GLN 38 Ca 0.02 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 56.84 3nj2 h GLN 38 Cb 0.85 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 3nj2 h GLN 38 CO 0.07 1.01 0.32 0.77 -0.95 0.00 0.00 178.83 180.05 3nj2 h SER 39 N 0.84 1.03 0.39 1.46 0.02 -0.55 -1.69 113.55 115.04 3nj2 h SER 39 Ca 0.14 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3nj2 h SER 39 Cb 0.61 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3nj2 h SER 39 CO 0.04 0.90 -0.19 0.25 -1.14 0.00 0.00 176.83 176.69 3nj2 h LEU 40 N 1.10 -0.44 -0.68 5.07 5.85 -0.65 -2.16 115.31 123.40 3nj2 h LEU 40 Ca 0.26 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.05 3nj2 h LEU 40 Cb 0.18 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 3nj2 h LEU 40 CO -0.03 -0.18 0.05 0.58 -0.34 0.00 0.00 178.44 178.52 3nj2 h VAL 41 N -0.69 0.46 -0.75 1.05 2.07 -1.14 0.11 116.25 117.36 3nj2 h VAL 41 Ca -0.05 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3nj2 h VAL 41 Cb 0.49 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3nj2 h VAL 41 CO 0.09 0.03 0.48 -0.61 0.02 0.00 0.00 177.57 177.57 3nj2 h GLN 42 N 0.15 0.91 -0.57 1.57 4.15 -1.15 -2.03 115.11 118.15 3nj2 h GLN 42 Ca 0.37 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 3nj2 h GLN 42 Cb 0.63 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3nj2 h GLN 42 CO -0.56 0.60 0.16 1.96 -1.93 0.00 0.00 178.83 179.07 3nj2 h GLN 43 N 0.94 0.89 -0.99 1.69 1.08 -0.65 -0.83 115.11 117.24 3nj2 h GLN 43 Ca 0.29 -0.20 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 3nj2 h GLN 43 Cb -0.01 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.24 3nj2 h GLN 43 CO -0.10 0.82 0.65 0.82 -0.95 0.00 0.00 178.83 180.07 3nj2 h ILE 44 N 0.80 1.18 0.00 2.54 2.04 -0.53 -1.60 117.51 121.93 3nj2 h ILE 44 Ca 0.18 -0.43 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 3nj2 h ILE 44 Cb 0.31 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3nj2 h ILE 44 CO -0.00 0.23 -0.90 0.03 0.00 0.00 0.00 178.15 177.51 3nj2 h ARG 45 N 1.25 0.00 -0.39 2.37 3.08 -1.22 -2.78 114.38 116.70 3nj2 h ARG 45 Ca 0.39 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.35 3nj2 h ARG 45 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3nj2 h ARG 45 CO -0.12 0.58 -0.13 0.00 -1.07 0.00 0.00 179.97 179.23 3nj2 h ALA 46 N 1.33 1.04 -0.01 0.04 0.00 -0.49 -2.74 119.26 118.43 3nj2 h ALA 46 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3nj2 h ALA 46 Cb 1.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3nj2 h ALA 46 CO 0.08 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.57 3nj2 n TYR 47 N -4.16 0.01 -3.17 0.00 4.01 -0.66 -4.29 117.16 108.89 3nj2 n TYR 47 Ca 0.01 -0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.31 3nj2 n TYR 47 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3nj2 n TYR 47 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nj2 n ASP 48 N -0.56 5.97 0.25 7.72 2.03 -1.03 -4.86 116.55 126.07 3nj2 n ASP 48 Ca 0.22 -3.22 0.08 0.00 0.52 0.00 0.00 54.79 52.38 3nj2 n ASP 48 Cb 0.20 -1.33 0.62 0.00 -0.72 0.00 0.00 41.12 39.89 3nj2 n ASP 48 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3nj2 h HIS 49 N 6.05 0.00 -0.41 -0.67 3.86 -1.81 -1.73 115.15 120.44 3nj2 h HIS 49 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3nj2 h HIS 49 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3nj2 h HIS 49 CO 0.88 0.07 0.00 0.66 0.86 0.00 0.00 177.93 180.40 3nj2 n TYR 50 N -4.36 1.34 -2.14 2.45 4.01 -1.26 -4.93 117.16 112.26 3nj2 n TYR 50 Ca -0.03 -0.77 -0.19 0.00 -0.16 0.00 0.00 57.90 56.75 3nj2 n TYR 50 Cb 0.15 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.80 3nj2 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nj2 n GLY 51 N 0.12 0.20 0.30 2.72 0.00 -0.65 -4.80 105.19 103.07 3nj2 n GLY 51 Ca 0.23 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3nj2 n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3nj2 h VAL 52 N 0.00 0.75 -0.68 1.61 2.07 -1.92 -2.37 116.25 115.72 3nj2 h VAL 52 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3nj2 h VAL 52 Cb 1.31 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3nj2 h VAL 52 CO 0.54 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.91 3nj2 n TYR 53 N -4.22 1.20 0.31 1.57 4.01 -1.26 -4.68 117.16 114.09 3nj2 n TYR 53 Ca -0.00 -0.56 0.19 0.00 -0.16 0.00 0.00 57.90 57.37 3nj2 n TYR 53 Cb 0.21 -0.12 1.05 0.00 -0.31 0.00 0.00 39.34 40.17 3nj2 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3nj2 h ARG 54 N 4.08 0.00 -0.02 -0.72 3.08 -1.80 -1.15 114.38 117.85 3nj2 h ARG 54 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nj2 h ARG 54 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3nj2 h ARG 54 CO 0.11 0.00 -0.08 0.25 -1.07 0.00 0.00 179.97 179.18 3nj2 n THR 55 N -3.49 0.00 -3.32 2.04 -2.24 -1.26 -4.91 114.28 101.11 3nj2 n THR 55 Ca -0.03 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 3nj2 n THR 55 Cb 0.10 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 3nj2 n THR 55 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3nj2 s TRP 56 N -2.10 3.75 0.68 4.78 0.52 -0.43 -5.06 118.94 121.08 3nj2 s TRP 56 Ca 0.30 1.18 -0.17 0.00 0.02 0.00 0.00 56.10 57.43 3nj2 s TRP 56 Cb 0.20 -2.47 -0.00 0.00 -1.15 0.00 0.00 33.47 30.05 3nj2 s TRP 56 CO 0.36 0.54 1.14 0.25 0.02 0.00 0.00 176.95 179.26 3nj2 n THR 57 N 2.03 3.86 -0.24 2.01 -2.24 -1.26 -4.83 114.28 113.60 3nj2 n THR 57 Ca -0.10 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.29 3nj2 n THR 57 Cb 0.51 -1.30 0.16 0.00 -2.10 0.00 0.00 70.33 67.61 3nj2 n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3nj2 h ASP 58 N 0.13 -0.13 -0.76 3.42 5.19 -1.97 -0.46 116.42 121.84 3nj2 h ASP 58 Ca -0.49 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3nj2 h ASP 58 Cb 1.34 0.25 -0.04 0.00 0.18 0.00 0.00 39.33 41.06 3nj2 h ASP 58 CO 0.50 -0.09 0.49 -0.08 -3.12 0.00 0.00 179.24 176.93 3nj2 h GLU 59 N 0.19 1.02 -0.04 3.56 4.81 -1.95 -1.73 114.58 120.44 3nj2 h GLU 59 Ca 0.40 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 3nj2 h GLU 59 Cb 0.69 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3nj2 h GLU 59 CO -0.56 0.70 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.00 3nj2 h LEU 60 N 1.04 0.07 -0.52 1.64 3.38 -1.70 -1.90 115.31 117.33 3nj2 h LEU 60 Ca 0.28 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3nj2 h LEU 60 Cb -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3nj2 h LEU 60 CO -0.06 0.42 -0.25 -0.37 0.09 0.00 0.00 178.44 178.28 3nj2 h VAL 61 N 0.06 0.49 0.00 1.22 -1.51 -0.28 -3.01 116.25 113.22 3nj2 h VAL 61 Ca 0.01 -1.41 -0.13 0.00 -1.23 0.00 0.00 66.70 63.94 3nj2 h VAL 61 Cb 0.65 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 3nj2 h VAL 61 CO 0.05 0.24 -0.62 0.40 -1.23 0.00 0.00 177.57 176.41 3nj2 h ILE 62 N 0.00 1.05 -1.03 7.19 2.04 -0.83 -3.39 117.51 122.54 3nj2 h ILE 62 Ca -0.00 -2.49 0.27 0.00 1.00 0.00 0.00 64.86 63.64 3nj2 h ILE 62 Cb 1.00 2.52 -0.12 0.00 -0.74 0.00 0.00 36.82 39.47 3nj2 h ILE 62 CO 0.03 0.60 0.62 0.00 0.00 0.00 0.00 178.15 179.40 3nj2 h ALA 63 N 1.39 1.97 -0.13 1.87 0.00 -1.21 -0.40 119.26 122.75 3nj2 h ALA 63 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3nj2 h ALA 63 Cb 1.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3nj2 h ALA 63 CO 0.08 -0.46 0.32 -1.35 0.00 0.00 0.00 179.25 177.84 3nj2 h PRO 64 N 0.47 0.00 0.00 0.00 0.11 -1.79 -0.28 132.00 130.51 3nj2 h PRO 64 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 3nj2 h PRO 64 Cb 1.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.54 3nj2 h PRO 64 CO -0.45 0.00 -0.22 0.66 -0.21 0.00 0.00 178.00 177.78 3nj2 n TYR 65 N -3.23 0.54 -3.81 0.65 4.02 -0.16 -4.70 117.16 110.46 3nj2 n TYR 65 Ca 0.01 0.16 -0.37 0.00 -0.01 0.00 0.00 57.90 57.69 3nj2 n TYR 65 Cb 0.41 -0.70 -0.13 0.00 -0.02 0.00 0.00 39.34 38.90 3nj2 n TYR 65 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3nj2 s VAL 66 N -3.09 3.42 -0.08 -0.72 1.01 -0.12 -1.12 120.40 119.71 3nj2 s VAL 66 Ca 0.10 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 3nj2 s VAL 66 Cb 0.15 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.54 3nj2 s VAL 66 CO 0.63 -0.25 0.05 -0.63 0.00 0.00 0.00 175.10 174.90 3nj2 s ILE 67 N 1.30 0.05 0.57 2.22 1.01 -0.23 -4.92 121.20 121.21 3nj2 s ILE 67 Ca -0.01 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 3nj2 s ILE 67 Cb -0.20 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 3nj2 s ILE 67 CO 0.00 0.10 1.07 -2.65 0.00 0.00 0.00 174.94 173.46 3nj2 n PRO 68 N 5.24 1.13 -0.32 2.79 -0.02 -1.26 -4.12 135.00 138.44 3nj2 n PRO 68 Ca -0.05 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 3nj2 n PRO 68 Cb 0.50 -2.26 0.17 0.00 -0.02 0.00 0.00 33.50 31.88 3nj2 n PRO 68 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3nj2 h LYS 69 N 0.81 0.94 -0.82 -0.52 3.64 -1.90 -0.42 116.57 118.30 3nj2 h LYS 69 Ca -0.49 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 58.97 3nj2 h LYS 69 Cb 1.35 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 3nj2 h LYS 69 CO 0.53 0.62 0.53 0.87 -2.27 0.00 0.00 179.45 179.74 3nj2 h LYS 70 N 0.97 0.58 0.15 1.90 1.57 -2.00 -0.76 116.57 118.98 3nj2 h LYS 70 Ca 0.41 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.90 3nj2 h LYS 70 Cb 0.26 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.45 3nj2 h LYS 70 CO -0.20 0.39 -1.23 -0.22 -0.57 0.00 0.00 179.45 177.61 3nj2 h LYS 71 N 0.60 0.31 -0.82 3.15 3.64 -1.68 -3.34 116.57 118.44 3nj2 h LYS 71 Ca 0.40 -0.53 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3nj2 h LYS 71 Cb 0.70 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 3nj2 h LYS 71 CO -0.16 1.25 0.53 -0.09 -2.27 0.00 0.00 179.45 178.71 3nj2 h ARG 72 N -0.25 1.00 0.00 1.90 2.43 -0.83 -2.54 114.38 116.09 3nj2 h ARG 72 Ca -0.25 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3nj2 h ARG 72 Cb 1.79 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 3nj2 h ARG 72 CO 0.12 0.66 0.00 2.89 -1.51 0.00 0.00 179.97 182.14 3nj2 n ARG 73 N -4.57 0.22 -0.14 0.20 1.85 -0.32 -1.90 116.66 112.00 3nj2 n ARG 73 Ca 0.10 0.12 0.12 0.00 -1.00 0.00 0.00 57.85 57.19 3nj2 n ARG 73 Cb 0.08 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.21 3nj2 n ARG 73 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3nj2 n GLU 74 N -1.33 2.37 -2.40 2.89 -0.58 -0.96 -4.88 120.64 115.75 3nj2 n GLU 74 Ca 0.08 -2.05 -0.42 0.00 -0.42 0.00 0.00 57.16 54.35 3nj2 n GLU 74 Cb 0.16 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 3nj2 n GLU 74 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3nj2 s ILE 75 N -1.64 4.06 0.39 -3.67 1.01 -0.80 -4.95 121.20 115.60 3nj2 s ILE 75 Ca 0.36 1.43 -0.26 0.00 0.00 0.00 0.00 60.65 62.18 3nj2 s ILE 75 Cb 0.22 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 3nj2 s ILE 75 CO 0.31 0.04 1.24 -0.55 0.00 0.00 0.00 174.94 175.98 3nj2 s SER 76 N 1.41 6.48 0.00 3.58 0.15 -1.26 -4.90 113.70 119.16 3nj2 s SER 76 Ca 0.58 2.51 0.25 0.00 0.70 0.00 0.00 55.95 60.00 3nj2 s SER 76 Cb -0.28 -2.63 0.46 0.00 -1.71 0.00 0.00 66.02 61.86 3nj2 s SER 76 CO 0.25 -0.72 1.40 0.18 1.20 0.00 0.00 173.24 175.55 3nj2 n LEU 77 N 0.22 2.19 0.10 3.45 4.77 -1.26 -4.70 117.00 121.78 3nj2 n LEU 77 Ca 0.03 -0.74 -0.04 0.00 -0.03 0.00 0.00 56.01 55.24 3nj2 n LEU 77 Cb 0.45 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3nj2 n LEU 77 CO 0.54 0.38 0.34 -0.33 -1.33 0.00 0.00 177.39 176.99 3nj2 h GLU 78 N 3.27 0.01 0.00 3.23 5.08 -1.99 -3.46 114.58 120.72 3nj2 h GLU 78 Ca 0.00 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 3nj2 h GLU 78 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3nj2 h GLU 78 CO 0.00 0.78 -0.08 0.41 -1.00 0.00 0.00 179.01 179.12 3nj2 n GLY 79 N 0.71 2.21 3.72 -3.84 0.00 -1.26 -5.08 105.19 101.65 3nj2 n GLY 79 Ca -0.01 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 3nj2 n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nj2 s ASP 80 N -3.27 6.77 0.25 1.61 1.01 -1.26 -4.78 116.67 117.01 3nj2 s ASP 80 Ca 0.34 2.42 -0.30 0.00 0.71 0.00 0.00 52.55 55.73 3nj2 s ASP 80 Cb -0.03 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.17 3nj2 s ASP 80 CO 0.22 -0.68 1.06 0.00 0.21 0.00 0.00 175.17 175.98 3nj2 n ILE 81 N 3.70 1.63 -2.08 0.77 3.06 -0.15 -4.88 119.36 121.40 3nj2 n ILE 81 Ca 0.11 -0.41 -0.42 0.00 -2.50 0.00 0.00 62.75 59.53 3nj2 n ILE 81 Cb 0.41 -0.96 -0.03 0.00 0.54 0.00 0.00 39.64 39.60 3nj2 n ILE 81 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3nj2 s ASP 82 N -0.36 6.73 0.34 9.51 -1.08 -1.26 -4.93 116.67 125.62 3nj2 s ASP 82 Ca 0.63 2.40 0.11 0.00 -0.52 0.00 0.00 52.55 55.18 3nj2 s ASP 82 Cb -0.74 -2.58 0.91 0.00 -1.46 0.00 0.00 42.92 39.04 3nj2 s ASP 82 CO 0.57 -0.74 1.77 -0.65 0.52 0.00 0.00 175.17 176.64 3nj2 h PRO 83 N 7.11 0.56 -0.80 4.34 0.11 -2.00 -1.71 132.00 139.62 3nj2 h PRO 83 Ca -0.42 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.69 3nj2 h PRO 83 Cb 1.20 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3nj2 h PRO 83 CO 0.89 0.37 0.51 1.15 -0.21 0.00 0.00 178.00 180.71 3nj2 h THR 84 N 0.58 1.11 -0.32 -1.15 2.02 -2.00 -1.10 112.91 112.06 3nj2 h THR 84 Ca 0.59 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.39 3nj2 h THR 84 Cb 1.18 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3nj2 h THR 84 CO -0.37 0.18 0.03 0.74 0.37 0.00 0.00 175.52 176.47 3nj2 h THR 85 N 0.99 1.25 -0.65 3.16 2.02 -1.72 -1.81 112.91 116.15 3nj2 h THR 85 Ca 0.32 -0.88 0.10 0.00 0.77 0.00 0.00 66.41 66.73 3nj2 h THR 85 Cb 0.02 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.56 3nj2 h THR 85 CO -0.12 0.29 0.26 0.11 0.37 0.00 0.00 175.52 176.43 3nj2 h LYS 86 N 0.36 0.44 -0.61 6.66 1.57 -1.12 -1.93 116.57 121.94 3nj2 h LYS 86 Ca 0.09 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3nj2 h LYS 86 Cb 0.39 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3nj2 h LYS 86 CO 0.01 0.29 0.14 1.25 -0.57 0.00 0.00 179.45 180.57 3nj2 h LEU 87 N 0.45 0.90 -0.98 2.94 5.85 -1.09 -0.66 115.31 122.72 3nj2 h LEU 87 Ca 0.33 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3nj2 h LEU 87 Cb 0.41 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3nj2 h LEU 87 CO -0.31 0.87 0.29 0.03 -0.34 0.00 0.00 178.44 178.98 3nj2 h ARG 88 N 0.91 1.02 -0.50 1.25 3.08 -0.58 0.12 114.38 119.69 3nj2 h ARG 88 Ca 0.20 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3nj2 h ARG 88 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3nj2 h ARG 88 CO 0.00 0.83 -0.13 0.82 -1.07 0.00 0.00 179.97 180.42 3nj2 h ILE 89 N 1.01 1.27 -0.33 2.04 2.04 -0.92 -1.22 117.51 121.39 3nj2 h ILE 89 Ca 0.24 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3nj2 h ILE 89 Cb 0.18 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3nj2 h ILE 89 CO -0.02 0.44 0.20 0.25 0.00 0.00 0.00 178.15 179.02 3nj2 h LEU 90 N 0.82 0.39 -1.16 1.44 5.85 -0.65 -1.96 115.31 120.04 3nj2 h LEU 90 Ca 0.13 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3nj2 h LEU 90 Cb 0.69 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3nj2 h LEU 90 CO 0.05 0.32 0.12 0.00 -0.34 0.00 0.00 178.44 178.60 3nj2 h TYR 92 N 0.69 0.16 0.00 0.00 3.20 -0.86 0.11 116.97 120.27 3nj2 h TYR 92 Ca 0.16 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 3nj2 h TYR 92 Cb 0.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3nj2 h TYR 92 CO 0.01 0.09 -0.57 0.74 -1.64 0.00 0.00 178.16 176.80 3nj2 h PHE 93 N 0.18 0.00 -0.01 -3.82 0.04 -1.08 -1.93 116.94 110.32 3nj2 h PHE 93 Ca 0.06 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 3nj2 h PHE 93 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3nj2 h PHE 93 CO -0.08 0.57 -0.71 0.00 -0.60 0.00 0.00 178.31 177.49 3nj2 h ARG 94 N 0.00 0.06 -0.62 1.51 3.08 -0.44 -1.40 114.38 116.57 3nj2 h ARG 94 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3nj2 h ARG 94 Cb 1.05 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3nj2 h ARG 94 CO 0.07 0.74 0.33 0.00 -1.07 0.00 0.00 179.97 180.04 3nj2 h ALA 95 N 1.25 0.80 -0.04 0.04 0.00 -0.40 0.21 119.26 121.12 3nj2 h ALA 95 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3nj2 h ALA 95 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3nj2 h ALA 95 CO 0.10 0.33 -0.03 0.82 0.00 0.00 0.00 179.25 180.47 3nj2 h ILE 96 N 0.85 0.92 -0.90 0.00 2.04 -1.06 -1.13 117.51 118.23 3nj2 h ILE 96 Ca 0.22 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.11 3nj2 h ILE 96 Cb 0.06 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3nj2 h ILE 96 CO -0.03 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.70 3nj2 h ALA 97 N 1.01 1.18 -0.25 1.87 0.00 -1.06 -1.38 119.26 120.64 3nj2 h ALA 97 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3nj2 h ALA 97 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3nj2 h ALA 97 CO -0.06 0.46 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 3nj2 h ALA 98 N 1.37 1.39 -0.35 0.00 0.00 -0.16 0.07 119.26 121.58 3nj2 h ALA 98 Ca 0.35 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3nj2 h ALA 98 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nj2 h ALA 98 CO -0.11 0.42 -0.29 1.25 0.00 0.00 0.00 179.25 180.52 3nj2 h LEU 99 N 0.37 0.76 -0.72 0.00 5.85 -0.69 -0.33 115.31 120.56 3nj2 h LEU 99 Ca 0.08 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3nj2 h LEU 99 Cb 0.40 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3nj2 h LEU 99 CO 0.02 1.01 -0.21 0.40 -0.34 0.00 0.00 178.44 179.32 3nj2 h ILE 100 N 0.63 1.27 -0.56 4.05 2.04 -0.38 -2.30 117.51 122.26 3nj2 h ILE 100 Ca 0.07 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 3nj2 h ILE 100 Cb 0.81 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3nj2 h ILE 100 CO 0.07 0.44 -0.09 -0.08 0.00 0.00 0.00 178.15 178.48 3nj2 h GLU 101 N 0.67 1.05 -0.83 2.37 4.81 -0.60 -0.15 114.58 121.91 3nj2 h GLU 101 Ca 0.10 -0.38 0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3nj2 h GLU 101 Cb 0.71 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3nj2 h GLU 101 CO 0.05 1.08 0.54 -0.22 -0.73 0.00 0.00 179.01 179.73 3nj2 h LYS 102 N 0.94 0.65 0.00 1.92 3.64 -0.51 0.22 116.57 123.43 3nj2 h LYS 102 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3nj2 h LYS 102 Cb 0.67 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3nj2 h LYS 102 CO 0.05 0.43 -1.30 0.39 -2.27 0.00 0.00 179.45 176.74 3nj2 n GLU 103 N -4.52 1.04 -0.00 1.90 -0.58 -1.01 -4.54 120.64 112.93 3nj2 n GLU 103 Ca 0.15 -0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.83 3nj2 n GLU 103 Cb 0.41 -1.33 -0.02 0.00 -0.57 0.00 0.00 31.44 29.93 3nj2 n GLU 103 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3nj2 n THR 104 N -1.76 0.00 0.00 2.62 -2.24 -0.10 -5.02 114.28 107.78 3nj2 n THR 104 Ca -0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3nj2 n THR 104 Cb 0.35 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3nj2 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nj2 n GLY 105 N 1.84 2.85 3.62 3.38 0.00 0.76 -5.01 105.19 112.63 3nj2 n GLY 105 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3nj2 n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3nj2 s LEU 106 N 0.00 4.06 -0.34 0.99 2.96 -1.26 -4.95 118.68 120.15 3nj2 s LEU 106 Ca 0.00 0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 54.14 3nj2 s LEU 106 Cb 0.00 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 3nj2 s LEU 106 CO 0.00 -0.18 0.28 -0.22 -1.32 0.00 0.00 176.35 174.90 3nj2 s LEU 107 N 1.98 4.45 0.49 -0.68 2.96 -1.26 -3.18 118.68 123.44 3nj2 s LEU 107 Ca 0.17 -0.32 -0.19 0.00 -0.22 0.00 0.00 54.13 53.57 3nj2 s LEU 107 Cb -0.16 -2.21 -0.08 0.00 0.50 0.00 0.00 46.19 44.25 3nj2 s LEU 107 CO 0.09 -0.25 1.01 0.00 -1.32 0.00 0.00 176.35 175.87 3nj2 s GLN 109 N -3.53 3.74 -0.04 0.00 -1.52 -0.10 -4.82 119.66 113.39 3nj2 s GLN 109 Ca 0.63 0.64 0.02 0.00 -1.95 0.00 0.00 55.36 54.70 3nj2 s GLN 109 Cb -0.13 -2.23 0.01 0.00 -0.22 0.00 0.00 33.01 30.45 3nj2 s GLN 109 CO 0.23 -0.28 -0.08 0.08 -0.25 0.00 0.00 175.29 174.99 3nj2 s VAL 110 N -2.73 0.79 0.02 1.09 1.01 -1.26 -1.29 120.40 118.01 3nj2 s VAL 110 Ca 0.54 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.27 3nj2 s VAL 110 Cb -0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3nj2 s VAL 110 CO 0.40 0.26 -0.19 -0.69 0.00 0.00 0.00 175.10 174.89 3nj2 s VAL 111 N 0.55 1.49 -0.23 2.92 1.01 0.04 -5.00 120.40 121.18 3nj2 s VAL 111 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3nj2 s VAL 111 Cb -0.12 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.04 3nj2 s VAL 111 CO 0.01 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.65 3nj2 s VAL 112 N -0.63 1.43 -0.34 2.92 1.01 -1.26 -0.06 120.40 123.47 3nj2 s VAL 112 Ca 0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3nj2 s VAL 112 Cb -0.08 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.65 3nj2 s VAL 112 CO 0.01 -0.09 0.08 -0.62 0.00 0.00 0.00 175.10 174.48 3nj2 s ASP 113 N 1.45 5.17 -0.04 3.32 2.15 -0.01 -5.01 116.67 123.69 3nj2 s ASP 113 Ca -0.05 -1.31 0.03 0.00 0.43 0.00 0.00 52.55 51.65 3nj2 s ASP 113 Cb -0.18 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 3nj2 s ASP 113 CO -0.06 -0.34 -0.13 -0.76 -0.17 0.00 0.00 175.17 173.71 3nj2 s LEU 114 N 1.32 1.82 0.65 -1.34 1.43 -1.26 -0.99 118.68 120.31 3nj2 s LEU 114 Ca -0.02 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 3nj2 s LEU 114 Cb -0.20 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 3nj2 s LEU 114 CO 0.00 0.10 0.20 0.59 0.23 0.00 0.00 176.35 177.47 3nj2 n ASN 115 N 3.30 -2.40 -0.27 2.29 3.02 -0.17 -4.90 115.26 116.14 3nj2 n ASN 115 Ca -0.19 0.60 0.20 0.00 -0.03 0.00 0.00 54.58 55.16 3nj2 n ASN 115 Cb 0.53 -1.05 0.50 0.00 -0.61 0.00 0.00 39.78 39.15 3nj2 n ASN 115 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3nj2 h HIS 116 N -0.20 0.59 0.00 3.10 3.86 -1.95 -1.47 115.15 119.08 3nj2 h HIS 116 Ca -0.44 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3nj2 h HIS 116 Cb 1.38 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3nj2 h HIS 116 CO 0.29 0.13 0.00 0.39 0.86 0.00 0.00 177.93 179.60 3nj2 n GLU 117 N -4.54 0.28 -0.41 2.45 4.71 -1.26 -0.98 120.64 120.88 3nj2 n GLU 117 Ca 0.21 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 3nj2 n GLU 117 Cb 0.74 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 3nj2 n GLU 117 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3nj2 n GLY 118 N 1.04 0.75 3.60 0.62 0.00 -0.55 -4.41 105.19 106.24 3nj2 n GLY 118 Ca 0.11 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3nj2 n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nj2 s PHE 119 N -2.00 2.91 0.00 1.61 2.99 -1.26 -1.27 117.98 120.96 3nj2 s PHE 119 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 56.93 56.90 3nj2 s PHE 119 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 43.02 41.41 3nj2 s PHE 119 CO 0.00 0.38 0.00 0.41 -0.00 0.00 0.00 175.22 176.01 3nj2 n GLY 120 N 1.52 -0.60 2.92 4.36 0.00 -0.47 -1.00 105.19 111.92 3nj2 n GLY 120 Ca -0.15 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 3nj2 n GLY 120 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nj2 s TRP 121 N -3.36 0.15 -0.22 1.61 0.52 -0.16 -0.37 118.94 117.11 3nj2 s TRP 121 Ca 0.00 -0.21 -0.05 0.00 0.02 0.00 0.00 56.10 55.87 3nj2 s TRP 121 Cb 0.00 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.20 3nj2 s TRP 121 CO 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 176.95 176.90 3nj2 s ALA 122 N -0.56 2.95 -0.10 0.98 0.00 -0.18 -0.83 121.76 124.02 3nj2 s ALA 122 Ca -0.06 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.82 3nj2 s ALA 122 Cb -0.04 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.29 3nj2 s ALA 122 CO -0.00 -0.35 -0.17 -0.51 0.00 0.00 0.00 175.76 174.73 3nj2 s LEU 123 N 1.35 1.82 -0.12 0.00 1.43 0.92 -1.33 118.68 122.75 3nj2 s LEU 123 Ca 0.04 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3nj2 s LEU 123 Cb -0.15 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.95 3nj2 s LEU 123 CO -0.00 0.05 -0.16 -0.69 0.23 0.00 0.00 176.35 175.79 3nj2 s VAL 124 N 0.78 1.58 0.02 -1.59 1.01 0.24 -0.78 120.40 121.66 3nj2 s VAL 124 Ca -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 3nj2 s VAL 124 Cb -0.16 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3nj2 s VAL 124 CO 0.01 0.46 0.04 -1.66 0.00 0.00 0.00 175.10 173.95 3nj2 s TRP 125 N 1.06 0.22 -0.00 5.22 -2.14 -0.42 -0.58 118.94 122.30 3nj2 s TRP 125 Ca -0.04 -0.49 0.00 0.00 2.66 0.00 0.00 56.10 58.23 3nj2 s TRP 125 Cb -0.15 -0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.06 3nj2 s TRP 125 CO -0.03 -0.27 -0.01 0.20 -2.66 0.00 0.00 176.95 174.18 3nj2 s GLY 126 N -1.74 0.06 0.00 3.67 0.00 -0.63 -0.92 107.32 107.75 3nj2 s GLY 126 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3nj2 s GLY 126 CO -0.02 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.73 3nj2 n GLY 127 N 3.18 3.67 1.03 0.20 0.00 -1.19 -1.12 105.19 110.97 3nj2 n GLY 127 Ca -0.14 0.03 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3nj2 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nj2 n LYS 128 N 14.00 3.09 -3.70 1.61 5.02 0.01 -4.97 118.16 133.21 3nj2 n LYS 128 Ca 0.00 -2.90 -0.36 0.00 -2.02 0.00 0.00 58.31 53.03 3nj2 n LYS 128 Cb 0.00 -1.90 -0.09 0.00 -0.02 0.00 0.00 35.03 33.02 3nj2 n LYS 128 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3nj2 s LEU 129 N -2.85 4.15 -0.67 -0.35 2.96 -0.28 -4.90 118.68 116.74 3nj2 s LEU 129 Ca 0.44 0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 54.27 3nj2 s LEU 129 Cb 0.36 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 45.00 3nj2 s LEU 129 CO 0.09 0.12 1.08 -0.32 -1.32 0.00 0.00 176.35 176.01 3nj2 s MET 130 N 0.70 3.18 0.01 1.98 -2.45 -1.26 -1.61 119.30 119.85 3nj2 s MET 130 Ca 0.08 -0.52 -0.18 0.00 -1.25 0.00 0.00 55.69 53.81 3nj2 s MET 130 Cb -0.12 -4.18 -0.31 0.00 1.25 0.00 0.00 34.83 31.46 3nj2 s MET 130 CO 0.01 -1.89 1.01 0.28 1.05 0.00 0.00 175.02 175.48 3nj2 h VAL 131 N 6.00 1.37 -3.90 10.11 2.07 -1.20 -3.45 116.25 127.25 3nj2 h VAL 131 Ca -0.28 -2.52 -0.31 0.00 0.82 0.00 0.00 66.70 64.41 3nj2 h VAL 131 Cb 1.06 2.95 -0.28 0.00 -1.52 0.00 0.00 31.29 33.51 3nj2 h VAL 131 CO 1.21 0.74 -0.75 -0.69 0.02 0.00 0.00 177.57 178.10 3nj2 s VAL 132 N -2.72 0.40 -0.24 2.57 1.01 -0.71 -4.60 120.40 116.12 3nj2 s VAL 132 Ca -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3nj2 s VAL 132 Cb 0.03 -0.36 0.13 0.00 0.00 0.00 0.00 36.38 36.18 3nj2 s VAL 132 CO 0.90 0.06 0.34 -0.94 0.00 0.00 0.00 175.10 175.45 3nj2 s SER 133 N -0.27 0.63 -0.13 3.32 1.04 -1.26 -0.59 113.70 116.44 3nj2 s SER 133 Ca 0.01 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.47 3nj2 s SER 133 Cb -0.03 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.99 3nj2 s SER 133 CO -0.00 -0.32 -0.21 -0.13 0.98 0.00 0.00 173.24 173.56 3nj2 s ARG 134 N 2.48 3.08 -0.00 4.02 1.81 -0.44 -4.98 118.95 124.91 3nj2 s ARG 134 Ca 0.11 -0.83 -0.30 0.00 -1.72 0.00 0.00 55.73 52.98 3nj2 s ARG 134 Cb -0.15 -2.44 -0.03 0.00 -0.45 0.00 0.00 34.95 31.87 3nj2 s ARG 134 CO -0.17 0.05 1.03 -1.54 -0.68 0.00 0.00 175.30 174.00 3nj2 s SER 135 N 0.67 7.29 -0.14 0.23 1.04 -1.26 -1.01 113.70 120.51 3nj2 s SER 135 Ca -0.10 1.72 -0.05 0.00 0.48 0.00 0.00 55.95 58.00 3nj2 s SER 135 Cb -0.16 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 3nj2 s SER 135 CO 0.02 -0.33 0.03 -0.76 0.98 0.00 0.00 173.24 173.17 3nj2 s LEU 136 N 1.18 3.69 0.05 2.42 1.43 0.50 -4.95 118.68 122.99 3nj2 s LEU 136 Ca 0.53 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3nj2 s LEU 136 Cb -0.23 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3nj2 s LEU 136 CO 0.27 0.25 -0.11 -0.13 0.23 0.00 0.00 176.35 176.86 3nj2 s ARG 137 N -0.12 0.70 -1.41 1.70 0.52 -1.25 -1.36 118.95 117.73 3nj2 s ARG 137 Ca 0.06 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 3nj2 s ARG 137 Cb -0.12 -0.62 0.00 0.00 0.52 0.00 0.00 34.95 34.73 3nj2 s ARG 137 CO 0.02 0.14 0.38 -0.25 0.02 0.00 0.00 175.30 175.61 3nj2 n ASP 138 N 1.66 -0.34 0.09 0.23 8.00 -0.99 -4.83 116.55 120.37 3nj2 n ASP 138 Ca -0.20 -1.04 0.10 0.00 0.71 0.00 0.00 54.79 54.36 3nj2 n ASP 138 Cb 0.55 -2.89 0.43 0.00 -0.02 0.00 0.00 41.12 39.18 3nj2 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nj2 n ALA 139 N -4.42 1.62 -0.32 2.24 0.00 -0.39 -1.89 120.51 117.34 3nj2 n ALA 139 Ca -0.31 0.05 0.33 0.00 0.00 0.00 0.00 53.44 53.50 3nj2 n ALA 139 Cb 0.68 -1.33 0.70 0.00 0.00 0.00 0.00 19.45 19.51 3nj2 n ALA 139 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3nj2 h HIS 140 N 0.00 0.15 -0.60 0.00 3.86 -1.88 -1.13 115.15 115.55 3nj2 h HIS 140 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3nj2 h HIS 140 Cb 0.30 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3nj2 h HIS 140 CO 0.00 0.01 0.00 0.54 0.86 0.00 0.00 177.93 179.34 3nj2 n ARG 141 N -4.29 4.59 -1.67 2.45 1.74 -0.79 -4.98 116.66 113.71 3nj2 n ARG 141 Ca 0.26 -3.10 -0.45 0.00 -0.77 0.00 0.00 57.85 53.78 3nj2 n ARG 141 Cb 1.17 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3nj2 n ARG 141 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3nj2 n PHE 142 N 0.77 2.18 0.00 -1.55 7.35 -0.43 -4.88 117.46 120.90 3nj2 n PHE 142 Ca 0.27 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 3nj2 n PHE 142 Cb 1.12 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 38.47 3nj2 n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3nj2 n GLY 143 N 2.44 0.56 3.11 7.13 0.00 -1.26 -4.96 105.19 112.21 3nj2 n GLY 143 Ca 0.13 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 3nj2 n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nj2 s PHE 144 N -1.60 0.87 0.41 1.61 0.08 -0.27 -4.93 117.98 114.14 3nj2 s PHE 144 Ca 0.00 -0.53 0.09 0.00 0.12 0.00 0.00 56.93 56.61 3nj2 s PHE 144 Cb 0.00 -0.50 0.86 0.00 -0.57 0.00 0.00 43.02 42.80 3nj2 s PHE 144 CO 0.00 -0.04 1.99 -0.44 -0.10 0.00 0.00 175.22 176.63 3nj2 h ASP 145 N 4.26 0.29 -5.18 1.36 3.32 -1.88 -0.60 116.42 117.99 3nj2 h ASP 145 Ca -0.37 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 3nj2 h ASP 145 Cb 1.20 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.57 3nj2 h ASP 145 CO 0.43 0.33 -0.12 0.42 -1.72 0.00 0.00 179.24 178.59 3nj2 s THR 146 N -5.02 0.03 0.21 0.35 -4.23 -1.26 -4.35 115.64 101.37 3nj2 s THR 146 Ca -0.06 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 3nj2 s THR 146 Cb 0.16 -1.81 0.15 0.00 1.34 0.00 0.00 72.50 72.34 3nj2 s THR 146 CO 0.73 -0.15 1.86 0.25 -0.54 0.00 0.00 174.62 176.76 3nj2 h LEU 147 N 2.32 0.90 -0.95 4.79 5.85 -1.96 -1.86 115.31 124.40 3nj2 h LEU 147 Ca -0.29 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3nj2 h LEU 147 Cb 1.25 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3nj2 h LEU 147 CO 0.40 0.69 0.60 -0.33 -0.34 0.00 0.00 178.44 179.46 3nj2 h GLU 148 N 1.04 1.28 -0.68 1.25 5.08 -1.99 0.56 114.58 121.11 3nj2 h GLU 148 Ca 0.27 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3nj2 h GLU 148 Cb -0.05 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.89 3nj2 h GLU 148 CO -0.05 0.87 0.13 0.87 -1.00 0.00 0.00 179.01 179.83 3nj2 h LYS 149 N 1.30 1.10 -0.19 2.33 1.57 -1.79 0.10 116.57 120.99 3nj2 h LYS 149 Ca 0.34 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3nj2 h LYS 149 Cb -0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3nj2 h LYS 149 CO -0.07 0.99 0.08 1.25 -0.57 0.00 0.00 179.45 181.13 3nj2 h LEU 150 N 1.04 0.26 -0.58 2.94 5.85 -1.02 -1.71 115.31 122.09 3nj2 h LEU 150 Ca 0.21 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3nj2 h LEU 150 Cb 0.41 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3nj2 h LEU 150 CO 0.01 0.34 0.13 -1.13 -0.34 0.00 0.00 178.44 177.45 3nj2 h ASN 151 N 0.16 0.89 -0.80 1.25 -1.24 -0.66 -1.30 115.58 113.87 3nj2 h ASN 151 Ca 0.06 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 56.83 3nj2 h ASN 151 Cb 0.16 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 3nj2 h ASN 151 CO -0.01 0.90 0.48 0.44 -1.29 0.00 0.00 177.43 177.95 3nj2 h ASP 152 N 0.83 0.97 -0.03 1.15 3.32 -0.74 -0.53 116.42 121.40 3nj2 h ASP 152 Ca 0.18 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3nj2 h ASP 152 Cb 0.36 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3nj2 h ASP 152 CO 0.00 0.75 -0.25 -0.61 -1.72 0.00 0.00 179.24 177.41 3nj2 h GLN 153 N 1.10 0.21 -0.79 3.56 5.75 -1.15 -0.49 115.11 123.30 3nj2 h GLN 153 Ca 0.29 -0.19 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 3nj2 h GLN 153 Cb -0.04 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.50 3nj2 h GLN 153 CO -0.05 0.88 0.48 0.78 -2.65 0.00 0.00 178.83 178.27 3nj2 h GLY 154 N -0.39 1.18 1.01 2.39 0.00 -1.24 -1.42 103.07 104.61 3nj2 h GLY 154 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3nj2 h GLY 154 CO 0.05 0.24 0.33 -0.84 0.00 0.00 0.00 176.54 176.31 3nj2 h THR 155 N 0.88 1.23 -0.40 4.70 2.02 -1.07 -1.28 112.91 119.00 3nj2 h THR 155 Ca 0.35 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3nj2 h THR 155 Cb 0.16 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3nj2 h THR 155 CO -0.17 0.28 0.13 0.50 0.37 0.00 0.00 175.52 176.63 3nj2 h LYS 156 N 0.99 0.61 -0.53 6.66 3.64 -0.66 0.12 116.57 127.39 3nj2 h LYS 156 Ca 0.24 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3nj2 h LYS 156 Cb 0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3nj2 h LYS 156 CO -0.03 0.60 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.56 3nj2 h LEU 157 N 0.49 1.01 -0.44 5.20 3.38 -1.15 -1.08 115.31 122.71 3nj2 h LEU 157 Ca 0.13 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3nj2 h LEU 157 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3nj2 h LEU 157 CO -0.01 1.13 0.07 0.00 0.09 0.00 0.00 178.44 179.72 3nj2 h ALA 158 N 0.96 0.58 -0.50 1.53 0.00 -0.83 -1.49 119.26 119.51 3nj2 h ALA 158 Ca 0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3nj2 h ALA 158 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3nj2 h ALA 158 CO 0.05 0.31 0.04 -0.91 0.00 0.00 0.00 179.25 178.74 3nj2 h ASN 159 N 0.59 0.76 -0.66 0.00 2.35 -0.46 -0.06 115.58 118.10 3nj2 h ASN 159 Ca 0.13 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3nj2 h ASN 159 Cb 0.38 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3nj2 h ASN 159 CO 0.01 0.80 0.19 0.00 -1.65 0.00 0.00 177.43 176.79 3nj2 h ALA 160 N 1.29 1.05 -0.62 -0.83 0.00 -1.06 -1.57 119.26 117.52 3nj2 h ALA 160 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3nj2 h ALA 160 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3nj2 h ALA 160 CO 0.01 0.63 0.22 0.78 0.00 0.00 0.00 179.25 180.90 3nj2 h GLY 161 N 1.07 1.02 0.91 0.00 0.00 -0.57 -1.52 103.07 103.98 3nj2 h GLY 161 Ca 0.22 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3nj2 h GLY 161 CO -0.00 0.54 0.10 -2.22 0.00 0.00 0.00 176.54 174.96 3nj2 h ILE 162 N 0.88 1.20 -0.71 2.60 2.04 -0.71 -1.12 117.51 121.69 3nj2 h ILE 162 Ca 0.21 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.48 3nj2 h ILE 162 Cb 0.25 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3nj2 h ILE 162 CO -0.01 0.21 0.42 -0.33 0.00 0.00 0.00 178.15 178.45 3nj2 h GLU 163 N 0.34 0.77 -0.52 2.37 4.39 -1.12 -1.35 114.58 119.47 3nj2 h GLU 163 Ca 0.10 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3nj2 h GLU 163 Cb 0.23 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3nj2 h GLU 163 CO -0.00 0.51 0.15 1.25 -1.16 0.00 0.00 179.01 179.76 3nj2 h LEU 164 N 0.80 0.77 -0.69 1.33 5.85 -0.97 0.21 115.31 122.61 3nj2 h LEU 164 Ca 0.30 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3nj2 h LEU 164 Cb 0.11 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3nj2 h LEU 164 CO -0.15 0.78 0.45 0.58 -0.34 0.00 0.00 178.44 179.76 3nj2 h VAL 165 N 0.72 1.14 0.00 1.05 2.07 -0.90 -1.74 116.25 118.59 3nj2 h VAL 165 Ca 0.17 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3nj2 h VAL 165 Cb 0.30 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3nj2 h VAL 165 CO -0.00 0.16 -0.46 0.78 0.02 0.00 0.00 177.57 178.07 3nj2 h ASN 166 N 0.90 0.00 0.58 0.57 2.35 -0.97 -3.10 115.58 115.91 3nj2 h ASN 166 Ca 0.26 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.87 3nj2 h ASN 166 Cb -0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3nj2 h ASN 166 CO -0.08 0.46 -0.66 0.50 -1.65 0.00 0.00 177.43 176.00 3nj2 h LYS 167 N 0.00 0.08 -1.82 0.81 3.64 -0.54 -3.40 116.57 115.35 3nj2 h LYS 167 Ca -0.00 -0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.79 3nj2 h LYS 167 Cb 1.01 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 32.43 3nj2 h LYS 167 CO 0.06 0.71 -0.89 1.19 -2.27 0.00 0.00 179.45 178.25 3nj2 n PHE 168 N -3.78 2.47 0.24 1.91 3.72 -0.69 -4.87 117.46 116.45 3nj2 n PHE 168 Ca -0.02 -3.54 0.08 0.00 -0.05 0.00 0.00 57.45 53.92 3nj2 n PHE 168 Cb 0.65 -0.36 0.58 0.00 -0.94 0.00 0.00 39.48 39.42 3nj2 n PHE 168 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3nj2 h PRO 169 N 2.89 0.00 -0.24 -1.08 0.13 -1.78 0.02 132.00 131.95 3nj2 h PRO 169 Ca 0.12 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.32 3nj2 h PRO 169 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3nj2 h PRO 169 CO 0.69 0.17 0.22 1.05 -0.23 0.00 0.00 178.00 179.91 3nj2 h GLU 170 N 0.00 0.00 0.00 0.86 9.09 -1.92 -0.88 114.58 121.74 3nj2 h GLU 170 Ca -0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 3nj2 h GLU 170 Cb 0.34 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.38 3nj2 h GLU 170 CO 0.02 0.00 -2.24 1.33 0.05 0.00 0.00 179.01 178.17 3nj2 n VAL 171 N -4.01 1.25 -0.03 -1.06 0.24 -0.91 -4.60 118.33 109.21 3nj2 n VAL 171 Ca 0.03 -0.56 -0.01 0.00 -2.04 0.00 0.00 64.34 61.77 3nj2 n VAL 171 Cb 0.36 -1.07 0.27 0.00 -1.47 0.00 0.00 33.84 31.93 3nj2 n VAL 171 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3nj2 h ALA 172 N 0.24 1.34 -0.67 2.33 0.00 -0.80 0.09 119.26 121.79 3nj2 h ALA 172 Ca -0.49 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3nj2 h ALA 172 Cb 1.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3nj2 h ALA 172 CO -0.05 0.46 0.00 0.54 0.00 0.00 0.00 179.25 180.20 3nj2 n ARG 173 N -4.28 2.62 0.00 0.00 5.12 -0.35 -3.15 116.66 116.62 3nj2 n ARG 173 Ca 0.02 -2.45 0.02 0.00 -1.93 0.00 0.00 57.85 53.52 3nj2 n ARG 173 Cb 0.24 -1.54 0.13 0.00 -1.16 0.00 0.00 32.46 30.12 3nj2 n ARG 173 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98