#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjo n ASN -1 N 0.00 0.22 0.12 -3.46 3.02 -1.26 -4.62 115.26 109.28 3bjo n ASN -1 Ca 0.00 -1.46 -0.13 0.00 -0.03 0.00 0.00 54.58 52.96 3bjo n ASN -1 Cb 0.00 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 3bjo n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bjo h ALA 0 N 3.65 -0.23 -0.47 5.41 0.00 -2.05 0.17 119.26 125.74 3bjo h ALA 0 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3bjo h ALA 0 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3bjo h ALA 0 CO 0.00 -0.59 0.04 -0.07 0.00 0.00 0.00 179.25 178.63 3bjo h LEU 1 N -0.29 0.71 -0.26 0.00 3.38 -1.99 -0.25 115.31 116.60 3bjo h LEU 1 Ca -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3bjo h LEU 1 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bjo h LEU 1 CO 0.04 0.75 0.14 0.50 0.09 0.00 0.00 178.44 179.96 3bjo h LYS 2 N 0.71 0.37 -0.32 1.13 1.63 -1.77 -1.92 116.57 116.40 3bjo h LYS 2 Ca 0.15 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 3bjo h LYS 2 Cb 0.38 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 3bjo h LYS 2 CO 0.01 0.34 -0.11 -0.44 -3.45 0.00 0.00 179.45 175.80 3bjo h ASP 3 N 0.30 0.53 0.03 4.20 3.32 -0.10 -1.65 116.42 123.05 3bjo h ASP 3 Ca 0.09 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3bjo h ASP 3 Cb 0.08 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3bjo h ASP 3 CO -0.01 0.67 -0.01 0.58 -1.72 0.00 0.00 179.24 178.75 3bjo h VAL 4 N 0.51 1.18 -0.99 -1.35 2.07 -0.92 -1.46 116.25 115.30 3bjo h VAL 4 Ca 0.09 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 67.06 3bjo h VAL 4 Cb 0.49 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 3bjo h VAL 4 CO 0.03 0.17 0.62 0.25 0.02 0.00 0.00 177.57 178.66 3bjo h LEU 5 N -0.34 0.89 -0.71 2.57 5.85 -1.19 -1.89 115.31 120.50 3bjo h LEU 5 Ca -0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3bjo h LEU 5 Cb 0.31 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3bjo h LEU 5 CO 0.01 0.46 0.37 -1.13 -0.34 0.00 0.00 178.44 177.81 3bjo h ASN 6 N 0.95 0.90 -0.47 1.25 -0.73 -1.00 0.33 115.58 116.82 3bjo h ASN 6 Ca 0.50 -0.11 0.09 0.00 1.87 0.00 0.00 56.30 58.65 3bjo h ASN 6 Cb 0.52 -0.23 -0.09 0.00 0.27 0.00 0.00 38.32 38.79 3bjo h ASN 6 CO -0.28 0.76 -0.11 0.40 -0.37 0.00 0.00 177.43 177.83 3bjo h ILE 7 N 0.98 0.53 -0.58 2.57 1.08 -0.49 -2.75 117.51 118.85 3bjo h ILE 7 Ca 0.25 -0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.62 3bjo h ILE 7 Cb 0.07 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3bjo h ILE 7 CO -0.04 0.00 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.33 3bjo h LEU 8 N 0.00 1.03 -0.42 1.44 3.38 -0.80 -0.92 115.31 119.02 3bjo h LEU 8 Ca 0.23 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3bjo h LEU 8 Cb 0.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bjo h LEU 8 CO -0.48 1.10 0.00 0.18 0.09 0.00 0.00 178.44 179.33 3bjo n LEU 9 N -4.19 0.07 0.00 1.67 4.77 0.04 -2.20 117.00 117.16 3bjo n LEU 9 Ca 0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3bjo n LEU 9 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3bjo n LEU 9 CO 0.44 0.02 0.00 -0.67 -1.33 0.00 0.00 177.39 175.85 3bjo n ASP 11 N -0.12 0.00 0.10 -1.43 2.03 -0.35 -1.91 116.55 114.87 3bjo n ASP 11 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 3bjo n ASP 11 Cb 0.02 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.47 3bjo n ASP 11 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3bjo h GLU 12 N 0.00 0.07 -0.40 -0.67 4.57 -1.70 -1.11 114.58 115.35 3bjo h GLU 12 Ca 0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3bjo h GLU 12 Cb 0.00 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3bjo h GLU 12 CO 0.00 0.81 0.26 0.82 -1.18 0.00 0.00 179.01 179.71 3bjo h ILE 13 N 0.04 1.09 -0.77 2.32 2.04 -1.66 -0.05 117.51 120.52 3bjo h ILE 13 Ca -0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3bjo h ILE 13 Cb 1.36 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3bjo h ILE 13 CO 0.11 0.10 0.40 0.28 0.00 0.00 0.00 178.15 179.03 3bjo h SER 14 N 0.52 0.98 -0.38 1.72 0.02 -1.78 -1.35 113.55 113.29 3bjo h SER 14 Ca 0.15 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3bjo h SER 14 Cb -0.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3bjo h SER 14 CO -0.04 0.81 0.13 0.11 -1.14 0.00 0.00 176.83 176.71 3bjo h LYS 15 N 1.07 0.57 -0.53 3.45 1.57 -0.91 -1.20 116.57 120.59 3bjo h LYS 15 Ca 0.27 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3bjo h LYS 15 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3bjo h LYS 15 CO -0.04 0.57 -0.00 1.25 -0.57 0.00 0.00 179.45 180.66 3bjo h LEU 16 N 0.46 0.93 -0.79 2.94 5.85 -0.83 -0.65 115.31 123.21 3bjo h LEU 16 Ca 0.12 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3bjo h LEU 16 Cb 0.22 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3bjo h LEU 16 CO -0.01 1.01 0.50 0.11 -0.34 0.00 0.00 178.44 179.71 3bjo h LYS 17 N 0.82 0.93 -0.17 1.25 1.57 -1.08 -0.23 116.57 119.65 3bjo h LYS 17 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3bjo h LYS 17 Cb 0.53 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3bjo h LYS 17 CO 0.03 0.62 0.05 -0.44 -0.57 0.00 0.00 179.45 179.13 3bjo h ASP 18 N 0.96 0.25 -0.55 0.86 5.19 -1.04 0.45 116.42 122.54 3bjo h ASP 18 Ca 0.33 -0.21 0.11 0.00 -0.62 0.00 0.00 57.03 56.64 3bjo h ASP 18 Cb 0.05 -0.07 -0.09 0.00 0.18 0.00 0.00 39.33 39.40 3bjo h ASP 18 CO -0.13 0.39 -0.02 0.15 -3.12 0.00 0.00 179.24 176.52 3bjo h PHE 19 N 0.09 -0.07 0.01 4.55 3.57 -0.61 -1.64 116.94 122.84 3bjo h PHE 19 Ca 0.05 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.34 3bjo h PHE 19 Cb 0.23 0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.10 3bjo h PHE 19 CO 0.00 -0.15 -1.02 -0.07 -2.23 0.00 0.00 178.31 174.84 3bjo h LEU 20 N 0.10 0.77 -1.53 0.59 3.38 -0.94 -3.09 115.31 114.59 3bjo h LEU 20 Ca 0.28 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 3bjo h LEU 20 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3bjo h LEU 20 CO -0.48 1.43 -0.22 0.28 0.09 0.00 0.00 178.44 179.54 3bjo h SER 21 N 0.33 0.02 0.51 -0.43 0.02 -0.68 -1.48 113.55 111.84 3bjo h SER 21 Ca -0.11 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3bjo h SER 21 Cb 1.67 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 3bjo h SER 21 CO 0.19 0.24 0.00 -1.13 -1.14 0.00 0.00 176.83 174.99 3bjo h ASN 22 N 0.02 0.00 0.40 3.07 -1.24 -1.21 -1.77 115.58 114.85 3bjo h ASN 22 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3bjo h ASN 22 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 3bjo h ASN 22 CO 0.03 0.00 -0.11 0.18 -1.29 0.00 0.00 177.43 176.24 3bjo n LEU 23 N -2.94 0.42 -0.30 0.34 4.77 -0.56 -4.17 117.00 114.57 3bjo n LEU 23 Ca -0.01 0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3bjo n LEU 23 Cb 0.18 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3bjo n LEU 23 CO 0.22 0.08 1.20 0.44 -1.33 0.00 0.00 177.39 178.00 3bjo h ASP 24 N 0.49 0.88 -0.04 -1.43 3.32 -1.43 -3.17 116.42 115.03 3bjo h ASP 24 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3bjo h ASP 24 Cb 0.36 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3bjo h ASP 24 CO 0.00 0.61 0.00 -1.22 -1.72 0.00 0.00 179.24 176.91 3bjo n TYR 25 N -4.57 0.13 -4.19 4.55 4.01 -1.26 -5.00 117.16 110.84 3bjo n TYR 25 Ca 0.10 -0.91 -0.20 0.00 -0.16 0.00 0.00 57.90 56.73 3bjo n TYR 25 Cb 0.08 -0.16 -0.16 0.00 -0.31 0.00 0.00 39.34 38.79 3bjo n TYR 25 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3bjo s ILE 26 N -2.60 0.54 -0.45 -0.72 1.01 -1.20 -5.10 121.20 112.68 3bjo s ILE 26 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 3bjo s ILE 26 Cb 0.25 -0.56 0.10 0.00 0.01 0.00 0.00 42.46 42.26 3bjo s ILE 26 CO 0.04 0.22 0.32 -0.54 0.00 0.00 0.00 174.94 174.97 3bjo s LYS 27 N 0.79 2.58 0.45 2.79 1.02 -1.26 -4.63 119.74 121.47 3bjo s LYS 27 Ca -0.11 -1.61 -0.24 0.00 0.02 0.00 0.00 55.97 54.04 3bjo s LYS 27 Cb -0.13 -3.89 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 3bjo s LYS 27 CO 0.00 -1.08 1.19 -2.30 -0.92 0.00 0.00 175.35 172.24 3bjo n PRO 28 N 4.94 1.68 -3.64 -1.68 -0.02 -1.14 -4.63 135.00 130.51 3bjo n PRO 28 Ca -0.09 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 3bjo n PRO 28 Cb 0.42 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 3bjo n PRO 28 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3bjo s LYS 29 N -2.28 3.37 -0.22 -0.52 1.02 -1.26 -1.43 119.74 118.41 3bjo s LYS 29 Ca 0.64 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.81 3bjo s LYS 29 Cb -0.50 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.16 3bjo s LYS 29 CO 0.56 -0.42 0.20 0.08 -0.92 0.00 0.00 175.35 174.86 3bjo s VAL 30 N 1.63 5.34 -0.25 3.17 1.01 0.87 -4.87 120.40 127.30 3bjo s VAL 30 Ca 0.05 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 3bjo s VAL 30 Cb -0.17 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3bjo s VAL 30 CO 0.07 0.35 0.57 0.20 0.00 0.00 0.00 175.10 176.29 3bjo s ASN 31 N 0.86 6.50 -0.38 3.32 0.01 -1.26 -0.80 114.94 123.20 3bjo s ASN 31 Ca 0.10 0.61 0.01 0.00 -0.71 0.00 0.00 52.86 52.88 3bjo s ASN 31 Cb -0.13 -2.31 0.12 0.00 0.41 0.00 0.00 41.25 39.34 3bjo s ASN 31 CO 0.04 -0.32 0.16 -0.63 -1.51 0.00 0.00 177.10 174.84 3bjo s ILE 32 N 2.35 1.26 0.00 0.60 1.01 -0.06 -5.00 121.20 121.37 3bjo s ILE 32 Ca 0.24 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.83 3bjo s ILE 32 Cb -0.16 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3bjo s ILE 32 CO 0.09 -0.78 0.00 -0.62 0.00 0.00 0.00 174.94 173.63 3bjo n GLU 33 N 4.15 0.00 0.07 2.79 4.71 -1.26 -0.60 120.64 130.50 3bjo n GLU 33 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.31 3bjo n GLU 33 Cb 0.38 0.00 0.31 0.00 -1.01 0.00 0.00 31.44 31.13 3bjo n GLU 33 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3bjo n GLU 34 N 7.97 0.23 -2.74 3.49 1.02 -1.26 -4.84 120.64 124.51 3bjo n GLU 34 Ca 0.00 0.12 -0.40 0.00 -0.02 0.00 0.00 57.16 56.86 3bjo n GLU 34 Cb 0.00 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 3bjo n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3bjo s GLU 35 N -3.11 4.83 -0.20 3.49 2.02 0.23 -5.06 118.70 120.90 3bjo s GLU 35 Ca 0.09 1.49 0.01 0.00 0.02 0.00 0.00 54.97 56.59 3bjo s GLU 35 Cb 0.14 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 31.11 3bjo s GLU 35 CO 0.65 0.46 -0.13 0.42 0.02 0.00 0.00 175.26 176.69 3bjo s ILE 36 N -0.99 1.79 -0.09 -1.63 1.01 -1.26 -0.88 121.20 119.15 3bjo s ILE 36 Ca 0.42 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3bjo s ILE 36 Cb -0.26 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3bjo s ILE 36 CO 0.32 0.25 -0.14 -0.63 0.00 0.00 0.00 174.94 174.74 3bjo s ILE 37 N 1.34 1.36 -0.03 2.92 1.01 0.02 -4.90 121.20 122.93 3bjo s ILE 37 Ca -0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 3bjo s ILE 37 Cb -0.16 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 3bjo s ILE 37 CO -0.09 0.41 0.62 -0.70 0.00 0.00 0.00 174.94 175.18 3bjo s GLU 38 N 0.92 4.36 0.34 2.79 2.12 -1.26 -0.09 118.70 127.89 3bjo s GLU 38 Ca -0.09 0.76 0.04 0.00 0.36 0.00 0.00 54.97 56.05 3bjo s GLU 38 Cb -0.15 -3.38 -0.07 0.00 0.26 0.00 0.00 34.13 30.79 3bjo s GLU 38 CO 0.00 0.26 0.05 0.96 -0.54 0.00 0.00 175.26 175.99 3bjo s ILE 39 N 0.17 1.32 0.10 -3.70 -4.36 -0.51 -5.00 121.20 109.22 3bjo s ILE 39 Ca 0.33 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.80 3bjo s ILE 39 Cb -0.18 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 3bjo s ILE 39 CO 0.17 0.00 -0.21 -0.13 0.24 0.00 0.00 174.94 175.01 3bjo s ARG 40 N -3.86 1.16 0.27 0.37 0.52 -1.26 -2.88 118.95 113.28 3bjo s ARG 40 Ca 0.36 -1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3bjo s ARG 40 Cb 0.09 -1.44 0.60 0.00 0.52 0.00 0.00 34.95 34.72 3bjo s ARG 40 CO 0.16 0.34 1.62 -0.22 0.02 0.00 0.00 175.30 177.22 3bjo h LYS 41 N 4.12 0.11 -0.90 3.54 3.64 -1.82 -0.51 116.57 124.74 3bjo h LYS 41 Ca -0.46 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 3bjo h LYS 41 Cb 1.18 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 3bjo h LYS 41 CO 0.40 0.07 0.59 1.49 -2.27 0.00 0.00 179.45 179.73 3bjo h GLU 42 N 0.11 1.10 -0.47 1.90 4.81 -1.96 -0.56 114.58 119.53 3bjo h GLU 42 Ca 0.50 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3bjo h GLU 42 Cb 0.97 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3bjo h GLU 42 CO -0.73 0.73 -0.19 -0.44 -0.73 0.00 0.00 179.01 177.65 3bjo h ASP 43 N 1.14 0.95 -0.17 1.04 3.32 -1.52 -1.57 116.42 119.61 3bjo h ASP 43 Ca 0.36 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3bjo h ASP 43 Cb 0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3bjo h ASP 43 CO -0.11 1.12 0.03 0.40 -1.72 0.00 0.00 179.24 178.96 3bjo h ILE 44 N 0.82 1.23 -0.17 0.35 2.04 -0.94 -2.05 117.51 118.78 3bjo h ILE 44 Ca 0.11 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3bjo h ILE 44 Cb 0.75 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3bjo h ILE 44 CO 0.06 0.22 0.06 0.40 0.00 0.00 0.00 178.15 178.89 3bjo h ILE 45 N 0.07 0.96 -0.83 -0.67 1.08 -1.07 -1.45 117.51 115.61 3bjo h ILE 45 Ca 0.05 -0.05 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 3bjo h ILE 45 Cb 0.31 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 34.79 3bjo h ILE 45 CO 0.00 0.03 0.46 0.78 -0.69 0.00 0.00 178.15 178.73 3bjo h ASN 46 N 0.14 0.64 -0.23 1.72 2.35 -1.22 -0.18 115.58 118.80 3bjo h ASN 46 Ca 0.07 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3bjo h ASN 46 Cb 0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3bjo h ASN 46 CO -0.07 0.34 -0.16 0.00 -1.65 0.00 0.00 177.43 175.89 3bjo h ALA 47 N 1.48 0.32 -0.12 -0.83 0.00 -1.03 -3.09 119.26 115.99 3bjo h ALA 47 Ca 0.41 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3bjo h ALA 47 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3bjo h ALA 47 CO -0.28 0.22 -0.30 -0.07 0.00 0.00 0.00 179.25 178.83 3bjo h LEU 48 N 0.21 0.22 -2.32 0.00 3.38 -0.95 -2.17 115.31 113.68 3bjo h LEU 48 Ca 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3bjo h LEU 48 Cb 0.69 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3bjo h LEU 48 CO 0.04 0.52 -0.04 0.11 0.09 0.00 0.00 178.44 179.16 3bjo h LYS 49 N 0.20 0.00 0.00 1.13 1.57 -0.95 -0.91 116.57 117.61 3bjo h LYS 49 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3bjo h LYS 49 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3bjo h LYS 49 CO 0.05 0.04 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.75 3bjo h LEU 50 N 0.00 0.00 -0.34 2.94 3.38 -1.41 -1.23 115.31 118.65 3bjo h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bjo h LEU 50 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3bjo h LEU 50 CO 0.01 0.15 0.00 0.49 0.09 0.00 0.00 178.44 179.18 3bjo n PHE 51 N -3.98 0.02 -0.06 1.13 3.72 -0.35 -3.77 117.46 114.17 3bjo n PHE 51 Ca -0.02 -0.01 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 3bjo n PHE 51 Cb 0.24 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.91 3bjo n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3bjo h LYS 52 N 0.80 0.68 -0.30 -1.08 1.57 -1.33 -3.23 116.57 113.68 3bjo h LYS 52 Ca 0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3bjo h LYS 52 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3bjo h LYS 52 CO 0.00 0.83 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 3bjo n GLY 53 N -0.34 2.20 3.64 3.86 0.00 -1.25 -4.93 105.19 108.37 3bjo n GLY 53 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3bjo n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bjo s LYS 54 N -0.99 0.71 0.21 1.61 2.20 -1.22 -5.05 119.74 117.21 3bjo s LYS 54 Ca 0.22 1.18 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 3bjo s LYS 54 Cb 0.12 0.17 0.17 0.00 -1.51 0.00 0.00 37.83 36.78 3bjo s LYS 54 CO 0.16 -0.14 1.51 -0.92 -0.36 0.00 0.00 175.35 175.60 3bjo h TYR 55 N 6.72 0.39 -3.12 4.03 3.20 -1.91 -3.39 116.97 122.88 3bjo h TYR 55 Ca -0.30 -0.16 -0.67 0.00 3.14 0.00 0.00 58.73 60.74 3bjo h TYR 55 Cb 1.22 -0.06 -0.34 0.00 1.54 0.00 0.00 36.73 39.08 3bjo h TYR 55 CO 0.09 0.86 -0.86 -2.00 -1.64 0.00 0.00 178.16 174.62 3bjo s GLU 56 N -3.69 3.02 -0.07 1.82 2.12 -1.26 -4.14 118.70 116.50 3bjo s GLU 56 Ca -0.04 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.51 3bjo s GLU 56 Cb 0.11 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.94 3bjo s GLU 56 CO 0.81 -0.14 -0.22 0.42 -0.54 0.00 0.00 175.26 175.59 3bjo s ILE 57 N 1.14 2.33 0.16 -3.70 -1.09 0.41 -4.92 121.20 115.54 3bjo s ILE 57 Ca 0.01 -0.96 -0.31 0.00 -2.23 0.00 0.00 60.65 57.16 3bjo s ILE 57 Cb -0.14 -1.88 -0.10 0.00 -1.58 0.00 0.00 42.46 38.76 3bjo s ILE 57 CO -0.09 0.57 1.54 -1.61 -1.23 0.00 0.00 174.94 174.11 3bjo s GLU 58 N -0.11 4.23 0.61 2.79 2.02 -1.26 0.02 118.70 127.00 3bjo s GLU 58 Ca -0.04 2.32 0.34 0.00 0.02 0.00 0.00 54.97 57.61 3bjo s GLU 58 Cb -0.14 -3.16 1.96 0.00 0.10 0.00 0.00 34.13 32.89 3bjo s GLU 58 CO 0.04 -0.57 2.26 -0.39 0.02 0.00 0.00 175.26 176.62 3bjo h VAL 59 N 4.02 0.35 0.00 2.63 -1.51 -1.50 -1.49 116.25 118.74 3bjo h VAL 59 Ca -0.43 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3bjo h VAL 59 Cb 1.21 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3bjo h VAL 59 CO 0.90 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 177.73 3bjo n ASP 60 N -3.56 0.08 -0.03 4.19 8.00 -1.26 -2.09 116.55 121.88 3bjo n ASP 60 Ca -0.03 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.12 3bjo n ASP 60 Cb 0.10 -0.54 0.44 0.00 -0.02 0.00 0.00 41.12 41.11 3bjo n ASP 60 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bjo n LYS 61 N -1.59 0.16 -3.98 -1.24 5.02 -0.56 -4.92 118.16 111.04 3bjo n LYS 61 Ca 0.03 -0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 3bjo n LYS 61 Cb 0.18 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 3bjo n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bjo s ILE 62 N -2.89 0.21 0.36 -0.18 1.01 -0.89 -5.01 121.20 113.82 3bjo s ILE 62 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 3bjo s ILE 62 Cb 0.19 -0.25 -0.11 0.00 0.01 0.00 0.00 42.46 42.30 3bjo s ILE 62 CO 0.60 0.11 1.45 -2.84 0.00 0.00 0.00 174.94 174.26 3bjo s PRO 63 N 0.57 4.17 0.24 2.79 0.02 -1.26 -4.81 135.00 136.71 3bjo s PRO 63 Ca -0.06 2.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.40 3bjo s PRO 63 Cb -0.09 -3.00 0.42 0.00 0.02 0.00 0.00 34.50 31.86 3bjo s PRO 63 CO -0.01 -0.46 1.71 -0.22 -0.33 0.00 0.00 177.00 177.69 3bjo h LYS 64 N 3.24 0.35 -0.96 5.54 3.64 -1.99 0.14 116.57 126.53 3bjo h LYS 64 Ca -0.50 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 3bjo h LYS 64 Cb 1.23 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3bjo h LYS 64 CO 0.66 0.23 0.62 0.00 -2.27 0.00 0.00 179.45 178.68 3bjo h ALA 65 N 1.54 1.32 0.05 5.00 0.00 -1.98 0.14 119.26 125.33 3bjo h ALA 65 Ca 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3bjo h ALA 65 Cb 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3bjo h ALA 65 CO -0.43 0.41 -0.02 0.28 0.00 0.00 0.00 179.25 179.49 3bjo h VAL 66 N 1.13 1.19 -0.01 0.00 2.07 -1.15 -2.41 116.25 117.07 3bjo h VAL 66 Ca 0.41 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 3bjo h VAL 66 Cb 0.14 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3bjo h VAL 66 CO -0.17 0.20 -0.64 0.10 0.02 0.00 0.00 177.57 177.08 3bjo h TYR 67 N -0.41 0.05 -0.70 1.57 -0.00 -0.78 -2.05 116.97 114.65 3bjo h TYR 67 Ca -0.01 -0.02 0.04 0.00 -0.00 0.00 0.00 58.73 58.74 3bjo h TYR 67 Cb 0.37 -0.01 -0.05 0.00 -0.00 0.00 0.00 36.73 37.05 3bjo h TYR 67 CO 0.04 0.67 0.43 0.28 -0.00 0.00 0.00 178.16 179.58 3bjo h VAL 68 N 0.03 1.06 -0.51 -0.90 2.07 -0.77 0.07 116.25 117.29 3bjo h VAL 68 Ca -0.01 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3bjo h VAL 68 Cb 1.14 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3bjo h VAL 68 CO 0.09 0.15 0.33 0.22 0.02 0.00 0.00 177.57 178.38 3bjo h TYR 69 N 0.82 0.63 0.00 1.57 3.20 -1.15 0.84 116.97 122.88 3bjo h TYR 69 Ca 0.29 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 3bjo h TYR 69 Cb 0.07 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3bjo h TYR 69 CO -0.05 0.39 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.35 3bjo h LEU 70 N 0.68 0.00 -0.02 2.82 3.38 -0.90 -0.09 115.31 121.18 3bjo h LEU 70 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3bjo h LEU 70 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3bjo h LEU 70 CO -0.05 0.43 -0.14 0.58 0.09 0.00 0.00 178.44 179.35 3bjo h VAL 71 N 0.00 1.51 -0.98 1.22 2.07 -0.80 0.33 116.25 119.60 3bjo h VAL 71 Ca -0.00 -1.72 0.15 0.00 0.82 0.00 0.00 66.70 65.95 3bjo h VAL 71 Cb 0.89 2.59 -0.09 0.00 -1.52 0.00 0.00 31.29 33.15 3bjo h VAL 71 CO 0.06 0.47 0.60 0.50 0.02 0.00 0.00 177.57 179.21 3bjo h LYS 72 N -0.50 0.84 -0.35 1.57 3.64 -0.38 -0.38 116.57 121.01 3bjo h LYS 72 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3bjo h LYS 72 Cb 0.84 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3bjo h LYS 72 CO 0.03 0.55 0.00 1.63 -2.27 0.00 0.00 179.45 179.39 3bjo n LYS 73 N -4.71 1.60 -2.74 1.90 4.76 -0.09 -4.91 118.16 113.98 3bjo n LYS 73 Ca 0.20 -0.76 -0.21 0.00 -2.87 0.00 0.00 58.31 54.68 3bjo n LYS 73 Cb 0.45 -1.28 0.01 0.00 -1.84 0.00 0.00 35.03 32.37 3bjo n LYS 73 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bjo n ASN 74 N 0.11 -5.55 -0.01 4.39 3.02 -0.15 -4.89 115.26 112.19 3bjo n ASN 74 Ca 0.07 -0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.28 3bjo n ASN 74 Cb 0.24 -4.56 -0.14 0.00 -0.61 0.00 0.00 39.78 34.71 3bjo n ASN 74 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3bjo n ILE 75 N -4.12 1.75 -4.28 2.41 2.08 0.06 -4.70 119.36 112.55 3bjo n ILE 75 Ca -0.16 -0.65 -0.19 0.00 0.56 0.00 0.00 62.75 62.30 3bjo n ILE 75 Cb 0.64 -1.69 -0.11 0.00 -0.75 0.00 0.00 39.64 37.73 3bjo n ILE 75 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3bjo s LEU 76 N -6.97 2.43 0.01 1.39 1.02 -0.91 -1.31 118.68 114.35 3bjo s LEU 76 Ca -0.23 -0.85 0.02 0.00 0.02 0.00 0.00 54.13 53.09 3bjo s LEU 76 Cb 0.07 -0.66 -0.04 0.00 0.02 0.00 0.00 46.19 45.58 3bjo s LEU 76 CO 0.75 -0.11 0.01 -0.36 0.02 0.00 0.00 176.35 176.67 3bjo s PHE 77 N -2.19 3.09 -0.13 0.29 0.08 0.94 -4.25 117.98 115.80 3bjo s PHE 77 Ca 0.13 0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.22 3bjo s PHE 77 Cb -0.05 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3bjo s PHE 77 CO 0.05 0.47 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.47 3bjo s LEU 78 N -1.70 3.50 -0.52 -0.37 2.96 -1.26 -1.38 118.68 119.91 3bjo s LEU 78 Ca 0.21 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3bjo s LEU 78 Cb -0.12 -1.83 0.13 0.00 0.50 0.00 0.00 46.19 44.88 3bjo s LEU 78 CO 0.12 0.26 0.28 -0.31 -1.32 0.00 0.00 176.35 175.39 3bjo s TYR 79 N -0.20 3.32 0.27 5.38 2.02 -0.03 -4.99 117.35 123.12 3bjo s TYR 79 Ca 0.05 -3.01 -0.02 0.00 -0.37 0.00 0.00 57.07 53.72 3bjo s TYR 79 Cb -0.13 -2.95 0.36 0.00 -0.40 0.00 0.00 41.96 38.85 3bjo s TYR 79 CO 0.02 -0.80 1.82 -1.35 -1.57 0.00 0.00 175.55 173.67 3bjo h PRO 80 N 6.82 0.88 0.05 -1.71 0.11 -1.97 0.14 132.00 136.31 3bjo h PRO 80 Ca -0.06 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3bjo h PRO 80 Cb 0.93 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3bjo h PRO 80 CO 0.68 0.78 -0.02 0.37 -0.21 0.00 0.00 178.00 179.59 3bjo h GLN 81 N 0.85 -0.07 0.00 1.05 4.15 -1.95 -2.64 115.11 116.49 3bjo h GLN 81 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3bjo h GLN 81 Cb 0.29 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3bjo h GLN 81 CO -0.00 0.26 -0.11 0.00 -1.93 0.00 0.00 178.83 177.05 3bjo h ARG 82 N -0.39 0.00 -4.26 1.69 3.08 -1.93 -3.46 114.38 109.10 3bjo h ARG 82 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3bjo h ARG 82 Cb 0.35 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.50 3bjo h ARG 82 CO 0.01 0.11 -0.47 0.41 -1.07 0.00 0.00 179.97 178.96 3bjo n GLY 83 N -1.06 -0.05 3.20 0.04 0.00 0.43 -4.99 105.19 102.76 3bjo n GLY 83 Ca -0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3bjo n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bjo s THR 84 N -3.22 0.29 0.09 2.61 -4.23 -0.93 -1.30 115.64 108.94 3bjo s THR 84 Ca 0.26 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3bjo s THR 84 Cb -0.11 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 3bjo s THR 84 CO 0.48 -0.36 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.32 3bjo s LEU 85 N -3.12 2.33 0.05 4.79 1.43 0.10 -0.85 118.68 123.41 3bjo s LEU 85 Ca 0.27 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3bjo s LEU 85 Cb 0.07 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 3bjo s LEU 85 CO 0.05 -0.14 -0.04 -0.54 0.23 0.00 0.00 176.35 175.91 3bjo s LYS 86 N -2.16 0.59 0.68 1.70 1.02 -0.48 -0.45 119.74 120.64 3bjo s LYS 86 Ca 0.01 -1.13 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 3bjo s LYS 86 Cb -0.07 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.38 3bjo s LYS 86 CO 0.02 -0.09 1.27 -2.30 -0.92 0.00 0.00 175.35 173.34 3bjo n PRO 87 N 0.36 0.92 0.14 -1.68 -0.02 -1.26 -0.04 135.00 133.42 3bjo n PRO 87 Ca -0.16 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 3bjo n PRO 87 Cb 0.60 -2.51 0.50 0.00 -0.02 0.00 0.00 33.50 32.07 3bjo n PRO 87 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3bjo h GLN 88 N 0.23 0.00 -2.99 -0.52 4.20 -1.47 -3.41 115.11 111.15 3bjo h GLN 88 Ca -0.50 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.27 3bjo h GLN 88 Cb 1.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.06 3bjo h GLN 88 CO 0.51 0.00 0.23 -1.54 -0.67 0.00 0.00 178.83 177.37 3bjo s SER 89 N -4.40 -0.28 0.52 1.46 1.04 -1.26 -4.97 113.70 105.80 3bjo s SER 89 Ca 0.04 -0.56 0.31 0.00 0.48 0.00 0.00 55.95 56.22 3bjo s SER 89 Cb 0.09 0.72 1.18 0.00 0.10 0.00 0.00 66.02 68.11 3bjo s SER 89 CO 0.42 -1.32 1.92 -0.26 0.98 0.00 0.00 173.24 174.98 3bjo h PHE 90 N 2.00 0.00 -0.47 5.02 0.04 -2.00 -2.11 116.94 119.42 3bjo h PHE 90 Ca -0.20 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.50 3bjo h PHE 90 Cb 1.25 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 3bjo h PHE 90 CO 0.42 0.04 0.01 -0.07 -0.60 0.00 0.00 178.31 178.11 3bjo h LEU 91 N 0.00 0.81 -0.08 1.54 3.38 -1.95 0.15 115.31 119.15 3bjo h LEU 91 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3bjo h LEU 91 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3bjo h LEU 91 CO 0.01 0.91 0.04 0.58 0.09 0.00 0.00 178.44 180.07 3bjo h VAL 92 N 0.68 1.13 -0.16 1.22 2.07 -1.84 -1.05 116.25 118.30 3bjo h VAL 92 Ca 0.13 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3bjo h VAL 92 Cb 0.50 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3bjo h VAL 92 CO 0.02 0.11 -0.20 -0.25 0.02 0.00 0.00 177.57 177.27 3bjo h TRP 93 N -0.01 -0.53 -0.60 1.57 7.01 -1.26 -1.27 115.95 120.87 3bjo h TRP 93 Ca 0.03 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.12 3bjo h TRP 93 Cb 0.15 0.26 -0.06 0.00 -2.10 0.00 0.00 29.16 27.41 3bjo h TRP 93 CO -0.02 -0.28 0.29 -0.97 -2.79 0.00 0.00 178.44 174.67 3bjo h ASN 94 N -0.24 0.40 -0.30 2.65 -1.24 -0.90 -1.84 115.58 114.10 3bjo h ASN 94 Ca 0.11 0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.17 3bjo h ASN 94 Cb 0.41 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.41 3bjo h ASN 94 CO -0.30 0.26 0.18 0.00 -1.29 0.00 0.00 177.43 176.27 3bjo h ALA 95 N 1.34 0.38 -0.54 1.57 0.00 -0.59 -0.52 119.26 120.89 3bjo h ALA 95 Ca 0.28 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.28 3bjo h ALA 95 Cb 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 3bjo h ALA 95 CO -0.21 -0.19 0.07 0.82 0.00 0.00 0.00 179.25 179.74 3bjo h ILE 96 N 0.36 0.64 -0.03 0.00 2.04 -0.83 0.11 117.51 119.80 3bjo h ILE 96 Ca 0.12 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3bjo h ILE 96 Cb -0.00 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3bjo h ILE 96 CO -0.05 0.04 -0.34 0.11 0.00 0.00 0.00 178.15 177.91 3bjo h LYS 97 N 0.20 0.06 0.00 2.37 1.57 -0.81 0.21 116.57 120.17 3bjo h LYS 97 Ca 0.28 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.80 3bjo h LYS 97 Cb 0.41 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3bjo h LYS 97 CO -0.39 0.39 -1.21 0.00 -0.57 0.00 0.00 179.45 177.67 3bjo h ARG 98 N 0.05 0.00 0.00 3.15 -0.00 -0.44 -3.40 114.38 113.74 3bjo h ARG 98 Ca 0.01 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.13 3bjo h ARG 98 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.53 3bjo h ARG 98 CO 0.05 0.82 -2.33 0.28 0.00 0.00 0.00 179.97 178.78 3bjo n VAL 99 N -3.25 1.34 1.12 2.04 0.31 0.31 -5.09 118.33 115.12 3bjo n VAL 99 Ca -0.05 -0.58 0.12 0.00 -0.01 0.00 0.00 64.34 63.82 3bjo n VAL 99 Cb 0.97 -1.16 0.20 0.00 -0.91 0.00 0.00 33.84 32.94 3bjo n VAL 99 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69