#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lb0 s LEU -6 N 0.00 -0.58 0.28 3.41 0.20 -1.26 -4.73 118.68 116.01 3lb0 s LEU -6 Ca 0.00 0.84 0.09 0.00 0.69 0.00 0.00 54.13 55.74 3lb0 s LEU -6 Cb 0.00 1.72 -0.06 0.00 -0.43 0.00 0.00 46.19 47.42 3lb0 s LEU -6 CO 0.00 -0.12 -0.11 -0.72 -0.29 0.00 0.00 176.35 175.11 3lb0 s TYR -5 N 2.08 2.08 0.31 5.38 -0.85 -1.26 -4.69 117.35 120.40 3lb0 s TYR -5 Ca -0.05 -0.56 0.10 0.00 -0.52 0.00 0.00 57.07 56.04 3lb0 s TYR -5 Cb -0.05 -1.09 -0.06 0.00 0.38 0.00 0.00 41.96 41.13 3lb0 s TYR -5 CO -0.17 0.45 -0.12 -0.06 -1.52 0.00 0.00 175.55 174.14 3lb0 s PHE -4 N -2.81 2.28 -0.13 -3.49 0.08 -0.27 -4.97 117.98 108.67 3lb0 s PHE -4 Ca 0.29 -0.49 -0.22 0.00 0.12 0.00 0.00 56.93 56.62 3lb0 s PHE -4 Cb 0.01 -1.22 0.05 0.00 -0.57 0.00 0.00 43.02 41.29 3lb0 s PHE -4 CO 0.13 0.56 0.56 1.14 -0.10 0.00 0.00 175.22 177.51 3lb0 s GLN -3 N -3.60 0.79 -0.02 0.44 -2.07 -1.26 -0.42 119.66 113.51 3lb0 s GLN -3 Ca 0.31 0.47 -0.01 0.00 -1.82 0.00 0.00 55.36 54.31 3lb0 s GLN -3 Cb 0.01 0.38 0.02 0.00 -1.09 0.00 0.00 33.01 32.32 3lb0 s GLN -3 CO 0.15 -0.17 0.04 0.45 -1.32 0.00 0.00 175.29 174.44 3lb0 s SER -2 N -0.43 0.01 0.00 12.60 0.15 -0.37 -4.99 113.70 120.67 3lb0 s SER -2 Ca -0.06 0.07 0.15 0.00 0.70 0.00 0.00 55.95 56.81 3lb0 s SER -2 Cb -0.03 0.01 0.57 0.00 -1.71 0.00 0.00 66.02 64.86 3lb0 s SER -2 CO 0.04 -0.08 1.42 -0.46 1.20 0.00 0.00 173.24 175.36 3lb0 n ASN -1 N 3.72 1.32 -0.02 5.45 0.23 -1.26 -1.04 115.26 123.66 3lb0 n ASN -1 Ca -0.21 -1.80 -0.00 0.00 -0.53 0.00 0.00 54.58 52.04 3lb0 n ASN -1 Cb 0.54 -0.12 -0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3lb0 n ASN -1 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3lb0 h ALA 0 N 3.73 0.00 -0.20 -2.53 0.00 -1.96 -3.36 119.26 114.95 3lb0 h ALA 0 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3lb0 h ALA 0 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3lb0 h ALA 0 CO 0.00 0.01 0.00 -0.12 0.00 0.00 0.00 179.25 179.14 3lb0 n MET 1 N -3.00 2.06 -3.21 0.00 0.00 -1.26 -4.98 117.12 106.72 3lb0 n MET 1 Ca -0.00 -1.58 -0.09 0.00 -0.00 0.00 0.00 57.70 56.02 3lb0 n MET 1 Cb 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 33.22 31.80 3lb0 n MET 1 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3lb0 n LYS 2 N 0.83 -1.67 -4.29 2.12 5.02 -0.76 -4.83 118.16 114.58 3lb0 n LYS 2 Ca 0.17 1.15 -0.18 0.00 -2.02 0.00 0.00 58.31 57.43 3lb0 n LYS 2 Cb 0.46 -5.51 -0.10 0.00 -0.02 0.00 0.00 35.03 29.86 3lb0 n LYS 2 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3lb0 s THR 3 N -3.18 1.50 -0.07 -0.18 -4.23 -0.21 -3.20 115.64 106.06 3lb0 s THR 3 Ca 0.21 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3lb0 s THR 3 Cb -0.04 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 72.00 3lb0 s THR 3 CO 0.76 -0.55 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.55 3lb0 s VAL 4 N -2.70 0.73 -0.22 2.29 1.01 -0.30 -1.23 120.40 119.97 3lb0 s VAL 4 Ca 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 3lb0 s VAL 4 Cb -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 3lb0 s VAL 4 CO 0.04 0.29 -0.02 -0.89 0.00 0.00 0.00 175.10 174.53 3lb0 s THR 5 N 1.36 3.62 -0.04 3.92 2.01 0.44 -0.21 115.64 126.74 3lb0 s THR 5 Ca -0.03 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3lb0 s THR 5 Cb -0.14 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.72 3lb0 s THR 5 CO -0.03 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.49 3lb0 s VAL 6 N 1.45 1.14 -1.46 3.82 1.01 -0.50 -1.11 120.40 124.74 3lb0 s VAL 6 Ca 0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3lb0 s VAL 6 Cb -0.14 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.32 3lb0 s VAL 6 CO -0.01 0.34 0.19 0.54 0.00 0.00 0.00 175.10 176.16 3lb0 n ARG 7 N 3.30 -0.87 0.00 2.72 5.12 -1.26 0.10 116.66 125.77 3lb0 n ARG 7 Ca -0.19 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3lb0 n ARG 7 Cb 0.53 -3.49 0.00 0.00 -1.16 0.00 0.00 32.46 28.35 3lb0 n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3lb0 n ASP 8 N -2.32 0.00 -4.66 0.55 8.00 -1.26 -4.82 116.55 112.04 3lb0 n ASP 8 Ca -0.14 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.93 3lb0 n ASP 8 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 3lb0 n ASP 8 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3lb0 s LEU 9 N 0.00 4.17 -0.71 0.64 2.96 0.12 -4.99 118.68 120.86 3lb0 s LEU 9 Ca 0.00 1.68 -0.18 0.00 -0.22 0.00 0.00 54.13 55.40 3lb0 s LEU 9 Cb 0.00 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.28 3lb0 s LEU 9 CO 0.00 -0.79 0.83 -0.69 -1.32 0.00 0.00 176.35 174.38 3lb0 s VAL 10 N 3.58 4.88 -0.05 1.68 1.01 -1.26 -1.40 120.40 128.84 3lb0 s VAL 10 Ca 0.55 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3lb0 s VAL 10 Cb -0.22 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 3lb0 s VAL 10 CO 0.15 -1.22 1.08 -0.69 0.00 0.00 0.00 175.10 174.42 3lb0 s VAL 11 N 2.40 4.57 0.00 2.92 1.01 0.71 -3.27 120.40 128.74 3lb0 s VAL 11 Ca 0.18 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.01 3lb0 s VAL 11 Cb -0.17 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3lb0 s VAL 11 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3lb0 n GLY 12 N 3.14 0.78 3.44 4.51 0.00 -1.26 -1.15 105.19 114.64 3lb0 n GLY 12 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3lb0 n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lb0 s GLU 13 N -0.48 2.10 3.96 1.61 2.12 -1.20 -4.81 118.70 122.00 3lb0 s GLU 13 Ca 0.00 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.38 3lb0 s GLU 13 Cb 0.00 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3lb0 s GLU 13 CO 0.00 0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 3lb0 n GLY 14 N 1.74 0.91 3.78 -1.50 0.00 -1.26 -4.75 105.19 104.10 3lb0 n GLY 14 Ca -0.16 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 3lb0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lb0 s ALA 15 N -1.83 2.88 0.60 4.61 0.00 -1.26 -4.85 121.76 121.91 3lb0 s ALA 15 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 3lb0 s ALA 15 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3lb0 s ALA 15 CO 0.00 -0.61 1.04 -2.30 0.00 0.00 0.00 175.76 173.89 3lb0 n PRO 16 N -0.77 1.00 -3.37 0.00 -0.02 -1.26 -4.93 135.00 125.65 3lb0 n PRO 16 Ca 0.09 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 3lb0 n PRO 16 Cb 0.50 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3lb0 n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lb0 s LYS 17 N -2.82 3.94 -0.23 -0.52 -0.14 -0.47 -4.88 119.74 114.62 3lb0 s LYS 17 Ca 0.76 0.44 -0.12 0.00 -1.36 0.00 0.00 55.97 55.69 3lb0 s LYS 17 Cb -0.42 -2.87 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 3lb0 s LYS 17 CO 0.47 0.44 0.22 0.42 -0.76 0.00 0.00 175.35 176.14 3lb0 s ILE 18 N -1.54 5.32 -0.17 2.17 1.01 -1.26 -0.88 121.20 125.85 3lb0 s ILE 18 Ca 0.40 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 3lb0 s ILE 18 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3lb0 s ILE 18 CO 0.19 0.32 0.04 -0.63 0.00 0.00 0.00 174.94 174.87 3lb0 s ILE 19 N 1.11 4.64 -0.05 2.92 1.01 0.37 -0.78 121.20 130.41 3lb0 s ILE 19 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.71 3lb0 s ILE 19 Cb -0.14 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 3lb0 s ILE 19 CO 0.05 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 174.61 3lb0 s VAL 20 N 0.18 2.70 -0.10 2.92 1.01 -0.68 -1.91 120.40 124.52 3lb0 s VAL 20 Ca 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3lb0 s VAL 20 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3lb0 s VAL 20 CO 0.01 0.58 -0.03 -0.44 0.00 0.00 0.00 175.10 175.22 3lb0 s SER 21 N -0.57 4.91 -0.21 3.32 0.01 -1.26 -0.22 113.70 119.68 3lb0 s SER 21 Ca 0.08 0.01 -0.16 0.00 1.31 0.00 0.00 55.95 57.20 3lb0 s SER 21 Cb -0.11 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 3lb0 s SER 21 CO 0.01 0.32 0.39 -0.76 0.41 0.00 0.00 173.24 173.61 3lb0 s LEU 22 N -0.53 4.14 0.00 2.44 1.43 0.74 -4.96 118.68 121.95 3lb0 s LEU 22 Ca 0.08 0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.76 3lb0 s LEU 22 Cb -0.12 -2.50 0.24 0.00 0.03 0.00 0.00 46.19 43.84 3lb0 s LEU 22 CO 0.02 -0.09 1.16 0.23 0.23 0.00 0.00 176.35 177.90 3lb0 n MET 23 N 4.60 2.51 -1.71 1.70 2.81 -1.26 -1.19 117.12 124.58 3lb0 n MET 23 Ca -0.08 -1.84 -0.41 0.00 -1.81 0.00 0.00 57.70 53.55 3lb0 n MET 23 Cb 0.51 -1.22 0.01 0.00 -0.71 0.00 0.00 33.22 31.80 3lb0 n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3lb0 n GLY 24 N 0.40 0.63 0.13 3.03 0.00 -1.26 -4.73 105.19 103.38 3lb0 n GLY 24 Ca 0.09 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 3lb0 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lb0 h LYS 25 N 2.27 0.35 -5.79 1.61 1.57 -1.93 -3.32 116.57 111.33 3lb0 h LYS 25 Ca -0.48 -0.59 -0.60 0.00 -1.87 0.00 0.00 60.65 57.11 3lb0 h LYS 25 Cb 1.29 0.22 -0.11 0.00 0.08 0.00 0.00 32.23 33.71 3lb0 h LYS 25 CO 0.61 1.25 -0.56 0.95 -0.57 0.00 0.00 179.45 181.12 3lb0 s THR 26 N -2.61 2.17 0.41 -0.16 -4.23 -1.26 -1.24 115.64 108.72 3lb0 s THR 26 Ca -0.10 -1.88 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 3lb0 s THR 26 Cb 0.06 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 71.09 3lb0 s THR 26 CO 0.88 -0.02 1.94 -0.29 -0.54 0.00 0.00 174.62 176.59 3lb0 h ILE 27 N 1.64 1.17 -0.27 2.99 2.10 -1.97 -0.81 117.51 122.35 3lb0 h ILE 27 Ca -0.43 -0.75 0.00 0.00 1.08 0.00 0.00 64.86 64.76 3lb0 h ILE 27 Cb 1.25 1.28 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 3lb0 h ILE 27 CO 0.75 0.23 0.18 0.74 -1.08 0.00 0.00 178.15 178.97 3lb0 h THR 28 N 0.13 1.07 -0.21 2.19 2.02 -1.99 -0.86 112.91 115.26 3lb0 h THR 28 Ca 0.03 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3lb0 h THR 28 Cb 0.37 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3lb0 h THR 28 CO 0.02 0.07 0.07 0.44 0.37 0.00 0.00 175.52 176.49 3lb0 h ASP 29 N 0.37 0.30 -0.87 4.18 3.32 -1.81 -1.39 116.42 120.51 3lb0 h ASP 29 Ca 0.10 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3lb0 h ASP 29 Cb -0.04 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3lb0 h ASP 29 CO -0.02 0.42 0.58 0.58 -1.72 0.00 0.00 179.24 179.07 3lb0 h VAL 30 N 0.17 1.22 -0.36 -1.35 2.07 -1.01 -0.66 116.25 116.33 3lb0 h VAL 30 Ca 0.07 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 3lb0 h VAL 30 Cb 0.22 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3lb0 h VAL 30 CO -0.00 0.21 -0.16 0.11 0.02 0.00 0.00 177.57 177.75 3lb0 h LYS 31 N 1.17 0.75 -0.39 1.57 1.57 -1.07 -1.22 116.57 118.95 3lb0 h LYS 31 Ca 0.32 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3lb0 h LYS 31 Cb -0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3lb0 h LYS 31 CO -0.07 0.93 0.18 0.66 -0.57 0.00 0.00 179.45 180.58 3lb0 h SER 32 N 0.54 0.52 -0.19 0.86 4.64 -0.94 -1.49 113.55 117.47 3lb0 h SER 32 Ca 0.08 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3lb0 h SER 32 Cb 0.70 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3lb0 h SER 32 CO 0.05 0.51 0.13 -0.33 -0.87 0.00 0.00 176.83 176.31 3lb0 h GLU 33 N 0.49 0.26 -0.73 4.77 5.08 -1.06 0.28 114.58 123.67 3lb0 h GLU 33 Ca 0.13 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3lb0 h GLU 33 Cb 0.13 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3lb0 h GLU 33 CO -0.02 0.18 0.48 0.00 -1.00 0.00 0.00 179.01 178.66 3lb0 h ALA 34 N 1.06 0.94 -0.60 3.43 0.00 -1.06 -0.24 119.26 122.78 3lb0 h ALA 34 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3lb0 h ALA 34 Cb -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3lb0 h ALA 34 CO -0.01 0.33 0.23 1.25 0.00 0.00 0.00 179.25 181.05 3lb0 h LEU 35 N 0.98 0.84 -1.19 0.00 5.85 -0.92 -1.66 115.31 119.21 3lb0 h LEU 35 Ca 0.27 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3lb0 h LEU 35 Cb -0.09 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3lb0 h LEU 35 CO -0.07 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 3lb0 h ALA 36 N 1.08 1.34 -0.00 1.25 0.00 -0.40 -2.83 119.26 119.71 3lb0 h ALA 36 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3lb0 h ALA 36 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3lb0 h ALA 36 CO -0.01 0.46 -0.42 0.66 0.00 0.00 0.00 179.25 179.93 3lb0 n TYR 37 N -4.27 0.00 -0.20 0.00 4.01 -0.15 -4.41 117.16 112.14 3lb0 n TYR 37 Ca 0.02 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.94 3lb0 n TYR 37 Cb 0.25 -0.28 0.53 0.00 -0.31 0.00 0.00 39.34 39.53 3lb0 n TYR 37 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3lb0 h ARG 38 N 0.05 0.35 0.00 -0.72 2.43 -1.04 -0.64 114.38 114.81 3lb0 h ARG 38 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3lb0 h ARG 38 Cb 0.50 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3lb0 h ARG 38 CO 0.00 0.23 -0.99 1.05 -1.51 0.00 0.00 179.97 178.75 3lb0 h GLU 39 N 0.36 0.00 -7.05 0.20 4.11 -1.79 -3.48 114.58 106.94 3lb0 h GLU 39 Ca 0.43 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 59.30 3lb0 h GLU 39 Cb 1.10 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.53 3lb0 h GLU 39 CO -0.14 0.05 0.29 0.00 0.07 0.00 0.00 179.01 179.27 3lb0 n ALA 40 N -2.21 0.29 -3.09 1.06 0.00 -0.25 -4.92 120.51 111.39 3lb0 n ALA 40 Ca -0.01 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.84 3lb0 n ALA 40 Cb 0.59 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3lb0 n ALA 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3lb0 n ASP 41 N -2.05 5.38 -4.39 0.00 2.03 -1.26 -4.96 116.55 111.30 3lb0 n ASP 41 Ca 0.14 -3.02 -0.26 0.00 0.52 0.00 0.00 54.79 52.17 3lb0 n ASP 41 Cb 0.49 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.32 3lb0 n ASP 41 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3lb0 s PHE 42 N 0.20 1.93 -0.09 -0.67 -0.12 -1.26 -4.90 117.98 113.06 3lb0 s PHE 42 Ca 0.37 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 3lb0 s PHE 42 Cb -0.05 -1.34 -0.07 0.00 -0.63 0.00 0.00 43.02 40.93 3lb0 s PHE 42 CO -0.03 -0.03 -0.07 -0.25 -0.05 0.00 0.00 175.22 174.79 3lb0 n ASP 43 N -1.06 3.23 -4.08 1.98 8.00 0.04 -4.96 116.55 119.69 3lb0 n ASP 43 Ca -0.07 -0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.15 3lb0 n ASP 43 Cb 0.66 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.58 3lb0 n ASP 43 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3lb0 s ILE 44 N -2.19 1.12 -0.26 0.53 1.01 -0.72 -4.13 121.20 116.56 3lb0 s ILE 44 Ca -0.12 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 3lb0 s ILE 44 Cb 0.03 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 3lb0 s ILE 44 CO 0.24 0.33 0.12 -0.22 0.00 0.00 0.00 174.94 175.40 3lb0 s LEU 45 N 0.04 3.66 -0.19 2.97 2.96 -0.49 -1.69 118.68 125.95 3lb0 s LEU 45 Ca -0.02 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3lb0 s LEU 45 Cb -0.09 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3lb0 s LEU 45 CO 0.01 -0.04 0.11 -0.70 -1.32 0.00 0.00 176.35 174.41 3lb0 s GLU 46 N 1.67 4.08 -0.36 1.98 2.12 0.70 -0.11 118.70 128.77 3lb0 s GLU 46 Ca 0.07 -0.25 -0.14 0.00 0.36 0.00 0.00 54.97 55.01 3lb0 s GLU 46 Cb -0.15 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 3lb0 s GLU 46 CO 0.06 0.32 0.26 -0.46 -0.54 0.00 0.00 175.26 174.91 3lb0 s TRP 47 N 0.28 3.23 -0.90 5.30 -0.00 0.18 -0.18 118.94 126.85 3lb0 s TRP 47 Ca 0.07 -0.29 -0.22 0.00 -0.00 0.00 0.00 56.10 55.66 3lb0 s TRP 47 Cb -0.11 -2.52 0.08 0.00 -0.00 0.00 0.00 33.47 30.92 3lb0 s TRP 47 CO -0.01 -0.42 1.23 1.03 -0.00 0.00 0.00 176.95 178.78 3lb0 s ARG 48 N 1.73 3.47 0.47 5.86 1.81 -0.33 -1.61 118.95 130.35 3lb0 s ARG 48 Ca 0.06 -1.23 0.25 0.00 -1.72 0.00 0.00 55.73 53.09 3lb0 s ARG 48 Cb -0.18 -4.88 1.11 0.00 -0.45 0.00 0.00 34.95 30.55 3lb0 s ARG 48 CO 0.11 -1.97 1.92 0.28 -0.68 0.00 0.00 175.30 174.95 3lb0 h VAL 49 N 6.21 0.61 0.00 3.52 2.07 -1.31 -2.03 116.25 125.31 3lb0 h VAL 49 Ca 0.05 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3lb0 h VAL 49 Cb 1.03 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3lb0 h VAL 49 CO 1.25 0.20 0.00 -2.24 0.02 0.00 0.00 177.57 176.80 3lb0 h ASP 50 N 0.00 0.00 0.46 0.57 2.03 -1.87 -0.87 116.42 116.73 3lb0 h ASP 50 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3lb0 h ASP 50 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3lb0 h ASP 50 CO 0.03 0.00 -0.28 1.41 -1.03 0.00 0.00 179.24 179.37 3lb0 n HIS 51 N -2.33 0.00 -3.01 4.15 8.25 -0.76 -3.98 115.22 117.54 3lb0 n HIS 51 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3lb0 n HIS 51 Cb 0.15 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 3lb0 n HIS 51 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3lb0 s PHE 52 N -2.73 3.35 0.38 4.41 5.36 -0.34 -3.86 117.98 124.55 3lb0 s PHE 52 Ca 0.19 1.03 0.08 0.00 -0.96 0.00 0.00 56.93 57.28 3lb0 s PHE 52 Cb 0.19 -2.92 0.75 0.00 -0.34 0.00 0.00 43.02 40.69 3lb0 s PHE 52 CO 0.57 -0.28 1.91 0.00 -1.46 0.00 0.00 175.22 175.97 3lb0 h ALA 53 N 7.58 1.49 -0.77 11.12 0.00 -1.44 -2.79 119.26 134.45 3lb0 h ALA 53 Ca -0.28 -0.19 -0.37 0.00 0.00 0.00 0.00 54.91 54.07 3lb0 h ALA 53 Cb 1.12 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.59 3lb0 h ALA 53 CO 0.81 0.36 0.47 0.09 0.00 0.00 0.00 179.25 180.99 3lb0 n ASN 54 N -4.29 3.75 0.07 0.00 3.02 -1.26 -4.59 115.26 111.96 3lb0 n ASN 54 Ca 0.00 -3.24 0.10 0.00 -0.03 0.00 0.00 54.58 51.41 3lb0 n ASN 54 Cb 0.25 -0.76 0.56 0.00 -0.61 0.00 0.00 39.78 39.22 3lb0 n ASN 54 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3lb0 h VAL 55 N 1.09 0.95 0.00 2.41 3.04 -1.80 -1.11 116.25 120.82 3lb0 h VAL 55 Ca 0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 3lb0 h VAL 55 Cb 2.43 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 3lb0 h VAL 55 CO 0.84 0.04 0.00 0.35 -1.01 0.00 0.00 177.57 177.79 3lb0 n THR 56 N -4.48 0.01 -3.55 3.17 -2.24 -1.26 -4.58 114.28 101.35 3lb0 n THR 56 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 3lb0 n THR 56 Cb 0.25 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 3lb0 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3lb0 s THR 57 N -2.36 4.74 0.23 4.28 2.01 -0.42 -4.98 115.64 119.14 3lb0 s THR 57 Ca 0.35 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3lb0 s THR 57 Cb 0.21 -3.70 0.19 0.00 0.01 0.00 0.00 72.50 69.21 3lb0 s THR 57 CO 0.42 -0.33 1.75 0.00 -0.69 0.00 0.00 174.62 175.77 3lb0 h ALA 58 N 8.51 0.99 -0.41 7.40 0.00 -1.83 -1.67 119.26 132.25 3lb0 h ALA 58 Ca -0.26 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3lb0 h ALA 58 Cb 1.10 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3lb0 h ALA 58 CO 0.72 -0.15 -0.03 0.93 0.00 0.00 0.00 179.25 180.71 3lb0 h GLU 59 N 0.49 0.68 -0.49 0.00 3.07 -1.93 -2.41 114.58 113.98 3lb0 h GLU 59 Ca 0.38 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 3lb0 h GLU 59 Cb 0.50 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3lb0 h GLU 59 CO -0.34 0.72 -0.19 0.77 -1.40 0.00 0.00 179.01 178.56 3lb0 h SER 60 N 0.63 1.01 -0.09 1.42 0.02 -1.61 0.06 113.55 114.99 3lb0 h SER 60 Ca 0.12 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3lb0 h SER 60 Cb 0.45 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3lb0 h SER 60 CO 0.02 1.16 0.03 0.58 -1.14 0.00 0.00 176.83 177.48 3lb0 h VAL 61 N 0.86 1.18 -0.75 2.27 2.07 -1.20 -0.77 116.25 119.91 3lb0 h VAL 61 Ca 0.12 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3lb0 h VAL 61 Cb 0.76 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3lb0 h VAL 61 CO 0.06 0.16 0.40 -0.07 0.02 0.00 0.00 177.57 178.14 3lb0 h LEU 62 N -0.05 0.96 -0.49 2.57 3.38 -1.38 -0.09 115.31 120.22 3lb0 h LEU 62 Ca 0.03 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3lb0 h LEU 62 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3lb0 h LEU 62 CO -0.00 0.79 0.26 -0.08 0.09 0.00 0.00 178.44 179.51 3lb0 h GLU 63 N 1.05 0.50 -0.44 1.13 4.81 -0.79 -0.87 114.58 119.97 3lb0 h GLU 63 Ca 0.26 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 3lb0 h GLU 63 Cb 0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3lb0 h GLU 63 CO -0.04 0.33 -0.25 0.00 -0.73 0.00 0.00 179.01 178.32 3lb0 h ALA 64 N 1.24 0.63 -0.76 2.92 0.00 -0.77 -1.04 119.26 121.49 3lb0 h ALA 64 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3lb0 h ALA 64 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3lb0 h ALA 64 CO -0.13 0.64 0.48 0.00 0.00 0.00 0.00 179.25 180.25 3lb0 h ALA 65 N 0.83 0.96 -0.74 0.00 0.00 -0.79 -1.26 119.26 118.27 3lb0 h ALA 65 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3lb0 h ALA 65 Cb 0.84 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3lb0 h ALA 65 CO 0.07 0.41 0.22 0.78 0.00 0.00 0.00 179.25 180.73 3lb0 h GLY 66 N 1.03 1.25 0.99 0.00 0.00 -0.94 -1.45 103.07 103.95 3lb0 h GLY 66 Ca 0.27 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3lb0 h GLY 66 CO -0.05 0.70 0.29 0.00 0.00 0.00 0.00 176.54 177.48 3lb0 h ALA 67 N 1.11 0.78 -0.08 3.60 0.00 -0.72 -1.60 119.26 122.34 3lb0 h ALA 67 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3lb0 h ALA 67 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3lb0 h ALA 67 CO -0.00 0.34 0.02 0.82 0.00 0.00 0.00 179.25 180.43 3lb0 h ILE 68 N 0.82 1.20 -0.92 0.00 2.04 -1.04 -3.01 117.51 116.61 3lb0 h ILE 68 Ca 0.21 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.60 3lb0 h ILE 68 Cb 0.12 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 3lb0 h ILE 68 CO -0.03 0.17 0.53 0.03 0.00 0.00 0.00 178.15 178.86 3lb0 h ARG 69 N -0.08 0.78 -0.10 2.37 2.47 -1.12 0.19 114.38 118.89 3lb0 h ARG 69 Ca 0.03 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 3lb0 h ARG 69 Cb 0.25 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 3lb0 h ARG 69 CO 0.00 0.52 -0.16 0.93 0.56 0.00 0.00 179.97 181.82 3lb0 h GLU 70 N 0.80 0.15 0.07 0.04 5.08 -1.19 -3.21 114.58 116.33 3lb0 h GLU 70 Ca 0.48 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.54 3lb0 h GLU 70 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3lb0 h GLU 70 CO -0.31 0.32 -1.39 0.82 -1.00 0.00 0.00 179.01 177.45 3lb0 h ILE 71 N 0.15 0.95 -3.48 3.13 2.04 -1.18 -3.42 117.51 115.70 3lb0 h ILE 71 Ca 0.03 -2.30 -0.71 0.00 1.00 0.00 0.00 64.86 62.87 3lb0 h ILE 71 Cb 0.37 2.52 -0.32 0.00 -0.74 0.00 0.00 36.82 38.65 3lb0 h ILE 71 CO 0.02 0.59 -0.37 -0.63 0.00 0.00 0.00 178.15 177.76 3lb0 s ILE 72 N -2.44 3.95 -0.31 -0.67 -1.09 -0.04 -4.92 121.20 115.69 3lb0 s ILE 72 Ca -0.24 -2.34 0.22 0.00 -2.23 0.00 0.00 60.65 56.06 3lb0 s ILE 72 Cb 0.05 -3.59 -0.21 0.00 -1.58 0.00 0.00 42.46 37.12 3lb0 s ILE 72 CO 0.70 -0.82 0.76 0.35 -1.23 0.00 0.00 174.94 174.70 3lb0 n THR 73 N 4.23 0.15 -0.06 2.92 -2.24 -1.22 -4.44 114.28 113.63 3lb0 n THR 73 Ca 0.01 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3lb0 n THR 73 Cb 0.40 0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 3lb0 n THR 73 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3lb0 n ASP 74 N -2.18 1.14 -4.90 3.42 3.85 -1.26 -4.99 116.55 111.63 3lb0 n ASP 74 Ca -0.01 0.16 -0.33 0.00 -0.71 0.00 0.00 54.79 53.90 3lb0 n ASP 74 Cb 0.51 -0.04 -0.05 0.00 -1.35 0.00 0.00 41.12 40.20 3lb0 n ASP 74 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3lb0 s LYS 75 N -2.55 3.55 0.30 0.11 1.02 -1.26 -4.97 119.74 115.93 3lb0 s LYS 75 Ca -0.16 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 3lb0 s LYS 75 Cb 0.07 -3.03 -0.13 0.00 -0.52 0.00 0.00 37.83 34.22 3lb0 s LYS 75 CO 0.77 0.61 1.15 -2.30 -0.92 0.00 0.00 175.35 174.67 3lb0 n PRO 76 N 0.76 1.67 -3.78 -1.68 -0.02 -1.26 -4.76 135.00 125.93 3lb0 n PRO 76 Ca -0.08 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 3lb0 n PRO 76 Cb 0.52 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 3lb0 n PRO 76 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3lb0 s LEU 77 N -0.08 3.48 -0.21 2.45 2.96 -1.26 -1.40 118.68 124.62 3lb0 s LEU 77 Ca 0.59 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 3lb0 s LEU 77 Cb -0.66 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3lb0 s LEU 77 CO 0.59 -0.08 0.08 -0.22 -1.32 0.00 0.00 176.35 175.40 3lb0 s LEU 78 N 1.56 3.71 -0.33 -0.68 2.96 0.84 -1.35 118.68 125.39 3lb0 s LEU 78 Ca 0.05 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 3lb0 s LEU 78 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3lb0 s LEU 78 CO 0.02 0.09 0.23 0.12 -1.32 0.00 0.00 176.35 175.49 3lb0 s PHE 79 N 0.90 3.23 -0.19 5.38 5.36 -0.11 -0.65 117.98 131.89 3lb0 s PHE 79 Ca 0.04 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 3lb0 s PHE 79 Cb -0.14 -2.46 0.05 0.00 -0.34 0.00 0.00 43.02 40.14 3lb0 s PHE 79 CO 0.03 -0.33 -0.01 0.99 -1.46 0.00 0.00 175.22 174.44 3lb0 s THR 80 N 1.73 0.93 -0.46 0.12 2.01 -0.63 -1.30 115.64 118.03 3lb0 s THR 80 Ca 0.06 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 3lb0 s THR 80 Cb -0.17 -1.27 0.06 0.00 0.01 0.00 0.00 72.50 71.13 3lb0 s THR 80 CO 0.10 -0.07 0.39 0.12 -0.69 0.00 0.00 174.62 174.48 3lb0 s PHE 81 N 1.68 3.23 -0.15 4.92 5.36 -1.26 -0.92 117.98 130.84 3lb0 s PHE 81 Ca -0.02 -0.84 -0.29 0.00 -0.96 0.00 0.00 56.93 54.82 3lb0 s PHE 81 Cb -0.17 -3.10 -0.00 0.00 -0.34 0.00 0.00 43.02 39.41 3lb0 s PHE 81 CO -0.07 -0.78 1.05 0.50 -1.46 0.00 0.00 175.22 174.46 3lb0 s ARG 82 N 1.71 4.34 0.68 10.12 6.06 -1.26 -4.92 118.95 135.68 3lb0 s ARG 82 Ca 0.05 1.42 -0.14 0.00 -2.50 0.00 0.00 55.73 54.55 3lb0 s ARG 82 Cb -0.23 -3.59 0.01 0.00 0.06 0.00 0.00 34.95 31.20 3lb0 s ARG 82 CO 0.08 -0.47 1.11 -1.54 -2.50 0.00 0.00 175.30 171.98 3lb0 s SER 83 N 1.22 4.94 0.23 -2.12 1.04 -1.26 -3.87 113.70 113.87 3lb0 s SER 83 Ca 0.48 2.00 -0.07 0.00 0.48 0.00 0.00 55.95 58.84 3lb0 s SER 83 Cb -0.18 -2.55 0.31 0.00 0.10 0.00 0.00 66.02 63.70 3lb0 s SER 83 CO 0.13 -1.74 1.83 0.00 0.98 0.00 0.00 173.24 174.44 3lb0 h ALA 84 N -0.16 1.08 -0.90 5.32 0.00 -1.74 0.51 119.26 123.36 3lb0 h ALA 84 Ca -0.46 0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.60 3lb0 h ALA 84 Cb 1.25 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3lb0 h ALA 84 CO 0.53 0.17 0.58 -0.22 0.00 0.00 0.00 179.25 180.32 3lb0 h LYS 85 N 0.85 0.69 -0.79 0.00 3.64 -1.90 -2.11 116.57 116.95 3lb0 h LYS 85 Ca 0.35 -0.04 -0.48 0.00 -1.27 0.00 0.00 60.65 59.21 3lb0 h LYS 85 Cb 0.20 -0.15 -0.27 0.00 -0.41 0.00 0.00 32.23 31.60 3lb0 h LYS 85 CO -0.19 0.45 0.32 0.39 -2.27 0.00 0.00 179.45 178.16 3lb0 n GLU 86 N -4.57 2.46 -0.22 1.90 1.02 -0.76 -4.91 120.64 115.56 3lb0 n GLU 86 Ca 0.18 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 3lb0 n GLU 86 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 3lb0 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lb0 n GLY 87 N -1.01 0.66 3.72 0.62 0.00 -0.79 -4.76 105.19 103.63 3lb0 n GLY 87 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 3lb0 n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lb0 s GLY 88 N -1.37 1.63 0.00 -0.02 0.00 0.17 -4.94 107.32 102.79 3lb0 s GLY 88 Ca 0.00 0.01 0.28 0.00 0.00 0.00 0.00 44.72 45.00 3lb0 s GLY 88 CO 0.00 0.48 1.74 1.18 0.00 0.00 0.00 173.10 176.50 3lb0 n GLU 89 N -3.86 0.17 -3.94 2.90 -0.58 -1.26 -4.36 120.64 109.70 3lb0 n GLU 89 Ca 0.07 -0.05 -0.08 0.00 -0.42 0.00 0.00 57.16 56.68 3lb0 n GLU 89 Cb 0.55 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.84 3lb0 n GLU 89 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3lb0 s GLN 90 N -2.87 0.80 -0.10 3.49 -0.21 -1.26 -4.99 119.66 114.52 3lb0 s GLN 90 Ca 0.17 -1.06 -0.02 0.00 0.02 0.00 0.00 55.36 54.46 3lb0 s GLN 90 Cb 0.19 0.30 -0.03 0.00 1.00 0.00 0.00 33.01 34.47 3lb0 s GLN 90 CO 0.57 -0.23 -0.00 0.00 -2.12 0.00 0.00 175.29 173.51 3lb0 s ALA 91 N -3.89 3.24 0.02 6.09 0.00 -1.26 -3.16 121.76 122.79 3lb0 s ALA 91 Ca 0.07 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3lb0 s ALA 91 Cb 0.06 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 3lb0 s ALA 91 CO -0.10 0.49 -0.04 -0.51 0.00 0.00 0.00 175.76 175.60 3lb0 s LEU 92 N -0.57 2.16 0.85 0.00 1.43 -1.26 -5.04 118.68 116.25 3lb0 s LEU 92 Ca 0.09 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3lb0 s LEU 92 Cb -0.12 -0.04 0.10 0.00 0.03 0.00 0.00 46.19 46.16 3lb0 s LEU 92 CO 0.02 -0.16 1.10 0.42 0.23 0.00 0.00 176.35 177.96 3lb0 s THR 93 N -0.95 2.86 0.20 5.49 -4.23 -1.26 -4.79 115.64 112.96 3lb0 s THR 93 Ca -0.09 0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 3lb0 s THR 93 Cb -0.07 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.26 3lb0 s THR 93 CO -0.00 -0.36 1.74 0.74 -0.54 0.00 0.00 174.62 176.19 3lb0 h THR 94 N -1.44 0.77 -0.71 3.99 2.02 -1.99 -0.80 112.91 114.74 3lb0 h THR 94 Ca -0.46 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 66.62 3lb0 h THR 94 Cb 1.26 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3lb0 h THR 94 CO 0.50 0.07 0.45 1.23 0.37 0.00 0.00 175.52 178.14 3lb0 h GLY 95 N 0.38 1.02 0.96 2.16 0.00 -1.99 -0.26 103.07 105.35 3lb0 h GLY 95 Ca 0.30 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3lb0 h GLY 95 CO -0.31 0.30 0.11 1.46 0.00 0.00 0.00 176.54 178.10 3lb0 h GLN 96 N 0.88 0.74 -0.13 4.80 4.20 -1.73 -1.01 115.11 122.86 3lb0 h GLN 96 Ca 0.28 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3lb0 h GLN 96 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3lb0 h GLN 96 CO -0.10 0.73 0.08 -0.92 -0.67 0.00 0.00 178.83 177.95 3lb0 h TYR 97 N 0.61 0.17 -0.44 2.96 3.20 -0.81 0.16 116.97 122.82 3lb0 h TYR 97 Ca 0.14 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3lb0 h TYR 97 Cb 0.32 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3lb0 h TYR 97 CO 0.02 0.12 0.10 0.82 -1.64 0.00 0.00 178.16 177.58 3lb0 h ILE 98 N 0.16 1.24 -0.39 1.81 1.08 -0.99 -1.85 117.51 118.56 3lb0 h ILE 98 Ca 0.05 -0.83 -0.08 0.00 -0.39 0.00 0.00 64.86 63.61 3lb0 h ILE 98 Cb -0.00 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3lb0 h ILE 98 CO -0.01 0.29 -0.08 0.44 -0.69 0.00 0.00 178.15 178.11 3lb0 h ASP 99 N 0.59 0.65 -0.06 1.72 3.32 -0.98 -0.36 116.42 121.30 3lb0 h ASP 99 Ca 0.14 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3lb0 h ASP 99 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3lb0 h ASP 99 CO 0.00 0.77 0.02 0.25 -1.72 0.00 0.00 179.24 178.56 3lb0 h LEU 100 N 0.62 0.02 -1.00 1.55 5.85 -0.51 -0.76 115.31 121.08 3lb0 h LEU 100 Ca 0.11 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3lb0 h LEU 100 Cb 0.50 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3lb0 h LEU 100 CO 0.03 0.02 0.09 0.78 -0.34 0.00 0.00 178.44 179.01 3lb0 h ASN 101 N 0.05 0.77 -0.59 1.25 2.35 -0.98 -1.97 115.58 116.46 3lb0 h ASN 101 Ca 0.03 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 3lb0 h ASN 101 Cb 0.01 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3lb0 h ASN 101 CO -0.03 0.78 0.20 0.03 -1.65 0.00 0.00 177.43 176.76 3lb0 h ARG 102 N 0.78 0.90 -0.77 0.81 3.08 -0.80 -1.28 114.38 117.10 3lb0 h ARG 102 Ca 0.16 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3lb0 h ARG 102 Cb 0.35 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3lb0 h ARG 102 CO 0.01 0.80 0.34 0.00 -1.07 0.00 0.00 179.97 180.04 3lb0 h ALA 103 N 1.06 0.99 -0.48 0.04 0.00 -0.93 -0.40 119.26 119.54 3lb0 h ALA 103 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3lb0 h ALA 103 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3lb0 h ALA 103 CO -0.01 0.59 0.26 0.00 0.00 0.00 0.00 179.25 180.09 3lb0 h ALA 104 N 1.17 0.62 -0.27 0.00 0.00 -1.02 -1.49 119.26 118.27 3lb0 h ALA 104 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3lb0 h ALA 104 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3lb0 h ALA 104 CO -0.03 0.14 0.17 0.28 0.00 0.00 0.00 179.25 179.82 3lb0 h VAL 105 N 0.64 1.09 0.00 0.00 2.07 -0.78 -2.98 116.25 116.29 3lb0 h VAL 105 Ca 0.17 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3lb0 h VAL 105 Cb 0.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3lb0 h VAL 105 CO -0.03 0.09 -0.17 0.44 0.02 0.00 0.00 177.57 177.92 3lb0 h ASP 106 N 0.35 0.00 -0.01 0.57 3.45 -0.81 -2.94 116.42 117.03 3lb0 h ASP 106 Ca 0.10 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 3lb0 h ASP 106 Cb -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3lb0 h ASP 106 CO -0.02 0.17 -0.05 0.77 -1.57 0.00 0.00 179.24 178.54 3lb0 h SER 107 N 0.00 0.15 0.00 6.45 4.64 -1.11 -3.46 113.55 120.22 3lb0 h SER 107 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3lb0 h SER 107 Cb 0.35 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3lb0 h SER 107 CO 0.02 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3lb0 n GLY 108 N -1.16 0.78 0.01 -0.77 0.00 -1.11 -4.87 105.19 98.07 3lb0 n GLY 108 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3lb0 n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3lb0 n LEU 109 N 0.00 0.58 -4.26 0.99 4.77 -1.26 -4.82 117.00 113.00 3lb0 n LEU 109 Ca 0.00 -0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 3lb0 n LEU 109 Cb 0.01 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 3lb0 n LEU 109 CO 0.00 0.12 -0.54 0.68 -1.33 0.00 0.00 177.39 176.32 3lb0 s VAL 110 N -3.03 1.80 -0.07 4.08 -7.23 -1.26 -4.89 120.40 109.80 3lb0 s VAL 110 Ca 0.10 -1.09 0.14 0.00 -1.81 0.00 0.00 61.98 59.32 3lb0 s VAL 110 Cb 0.17 -1.52 -0.14 0.00 0.56 0.00 0.00 36.38 35.45 3lb0 s VAL 110 CO 0.73 0.41 0.96 0.44 -0.31 0.00 0.00 175.10 177.33 3lb0 h ASP 111 N 5.28 0.00 -5.06 4.85 3.32 -1.56 -3.47 116.42 119.78 3lb0 h ASP 111 Ca -0.42 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.52 3lb0 h ASP 111 Cb 1.14 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.51 3lb0 h ASP 111 CO 0.46 0.74 -0.40 -0.04 -1.72 0.00 0.00 179.24 178.29 3lb0 s MET 112 N -2.81 0.67 0.15 3.56 -1.94 -0.89 -2.05 119.30 115.99 3lb0 s MET 112 Ca -0.02 -0.59 0.09 0.00 -1.71 0.00 0.00 55.69 53.46 3lb0 s MET 112 Cb 0.08 0.28 -0.04 0.00 2.01 0.00 0.00 34.83 37.16 3lb0 s MET 112 CO 0.80 -0.19 -0.19 0.96 -0.01 0.00 0.00 175.02 176.39 3lb0 s ILE 113 N -2.39 1.81 -0.23 2.53 -4.36 -0.50 -0.94 121.20 117.13 3lb0 s ILE 113 Ca -0.06 -1.81 -0.06 0.00 -0.26 0.00 0.00 60.65 58.45 3lb0 s ILE 113 Cb -0.02 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 3lb0 s ILE 113 CO -0.03 -0.23 0.03 -0.62 0.24 0.00 0.00 174.94 174.32 3lb0 s ASP 114 N -2.45 4.88 -0.08 4.36 -1.08 -0.42 -0.92 116.67 120.96 3lb0 s ASP 114 Ca 0.13 -0.24 0.04 0.00 -0.52 0.00 0.00 52.55 51.97 3lb0 s ASP 114 Cb -0.07 -1.86 -0.01 0.00 -1.46 0.00 0.00 42.92 39.53 3lb0 s ASP 114 CO 0.06 0.00 -0.23 -0.76 0.52 0.00 0.00 175.17 174.77 3lb0 s LEU 115 N 1.37 2.18 -0.01 -1.34 1.43 -0.32 -4.56 118.68 117.44 3lb0 s LEU 115 Ca 0.05 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3lb0 s LEU 115 Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3lb0 s LEU 115 CO 0.02 0.21 1.01 -1.61 0.23 0.00 0.00 176.35 176.21 3lb0 s GLU 116 N 0.06 4.52 0.25 1.70 2.02 -1.26 -0.84 118.70 125.16 3lb0 s GLU 116 Ca -0.10 1.47 -0.04 0.00 0.02 0.00 0.00 54.97 56.31 3lb0 s GLU 116 Cb -0.16 -3.46 0.49 0.00 0.10 0.00 0.00 34.13 31.11 3lb0 s GLU 116 CO 0.06 -0.11 1.67 1.25 0.02 0.00 0.00 175.26 178.15 3lb0 h LEU 117 N 6.96 -0.06 -2.82 1.80 5.85 -1.35 -2.50 115.31 123.20 3lb0 h LEU 117 Ca -0.40 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.34 3lb0 h LEU 117 Cb 1.21 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.39 3lb0 h LEU 117 CO 0.77 -0.08 0.18 0.49 -0.34 0.00 0.00 178.44 179.46 3lb0 n PHE 118 N -5.20 1.50 -0.16 1.25 3.72 -1.26 -4.21 117.46 113.09 3lb0 n PHE 118 Ca 0.15 -0.83 -0.05 0.00 -0.05 0.00 0.00 57.45 56.67 3lb0 n PHE 118 Cb 0.49 -0.49 0.12 0.00 -0.94 0.00 0.00 39.48 38.66 3lb0 n PHE 118 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3lb0 h THR 119 N 1.53 1.25 0.00 4.37 2.02 -1.85 -3.48 112.91 116.75 3lb0 h THR 119 Ca 0.17 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3lb0 h THR 119 Cb 1.72 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3lb0 h THR 119 CO 0.46 0.36 0.00 0.61 0.37 0.00 0.00 175.52 177.32 3lb0 n GLY 120 N -0.66 4.10 0.26 2.16 0.00 -1.26 -4.96 105.19 104.82 3lb0 n GLY 120 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 3lb0 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lb0 h ASP 121 N 0.00 0.77 -0.42 1.61 5.19 -1.92 0.43 116.42 122.08 3lb0 h ASP 121 Ca 0.00 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 3lb0 h ASP 121 Cb 0.00 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 3lb0 h ASP 121 CO 0.00 0.67 0.23 0.44 -3.12 0.00 0.00 179.24 177.45 3lb0 h ASP 122 N 0.82 0.53 -0.53 6.45 3.32 -1.99 -1.13 116.42 123.88 3lb0 h ASP 122 Ca 0.21 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3lb0 h ASP 122 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3lb0 h ASP 122 CO -0.03 0.47 0.01 -0.33 -1.72 0.00 0.00 179.24 177.65 3lb0 h GLU 123 N 0.54 0.93 -0.25 3.56 3.07 -1.88 -1.84 114.58 118.72 3lb0 h GLU 123 Ca 0.15 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3lb0 h GLU 123 Cb 0.06 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3lb0 h GLU 123 CO -0.02 0.94 0.04 0.28 -1.40 0.00 0.00 179.01 178.85 3lb0 h VAL 124 N 0.81 1.23 -0.72 3.13 2.07 -0.74 -1.46 116.25 120.57 3lb0 h VAL 124 Ca 0.15 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3lb0 h VAL 124 Cb 0.51 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3lb0 h VAL 124 CO 0.02 0.24 0.40 0.11 0.02 0.00 0.00 177.57 178.36 3lb0 h LYS 125 N 0.22 1.01 -0.54 1.57 1.57 -1.15 0.50 116.57 119.74 3lb0 h LYS 125 Ca 0.08 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3lb0 h LYS 125 Cb 0.32 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3lb0 h LYS 125 CO 0.00 0.75 0.01 0.00 -0.57 0.00 0.00 179.45 179.64 3lb0 h ALA 126 N 1.20 0.73 -0.04 3.86 0.00 -1.26 -1.93 119.26 121.82 3lb0 h ALA 126 Ca 0.25 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3lb0 h ALA 126 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3lb0 h ALA 126 CO -0.04 0.55 -0.89 1.15 0.00 0.00 0.00 179.25 180.01 3lb0 h THR 127 N 0.83 1.36 -0.44 0.00 2.02 -0.88 -1.18 112.91 114.61 3lb0 h THR 127 Ca 0.15 -2.28 0.01 0.00 0.77 0.00 0.00 66.41 65.06 3lb0 h THR 127 Cb 0.53 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 3lb0 h THR 127 CO 0.03 0.69 0.29 0.58 0.37 0.00 0.00 175.52 177.48 3lb0 h VAL 128 N 0.31 1.11 -0.50 3.16 2.07 -0.87 -0.13 116.25 121.40 3lb0 h VAL 128 Ca -0.07 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3lb0 h VAL 128 Cb 1.52 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3lb0 h VAL 128 CO 0.16 0.11 0.30 1.23 0.02 0.00 0.00 177.57 179.39 3lb0 h GLY 129 N 0.59 0.73 0.99 2.17 0.00 -1.25 -0.04 103.07 106.26 3lb0 h GLY 129 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3lb0 h GLY 129 CO -0.04 0.30 0.31 -1.82 0.00 0.00 0.00 176.54 175.28 3lb0 h TYR 130 N 0.67 0.70 -0.22 5.60 3.20 -1.00 -0.01 116.97 125.90 3lb0 h TYR 130 Ca 0.18 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3lb0 h TYR 130 Cb -0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3lb0 h TYR 130 CO -0.03 0.49 0.11 0.00 -1.64 0.00 0.00 178.16 177.10 3lb0 h ALA 131 N 1.14 0.29 -0.87 1.82 0.00 -0.71 -2.65 119.26 118.28 3lb0 h ALA 131 Ca 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3lb0 h ALA 131 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3lb0 h ALA 131 CO -0.03 -0.16 0.57 0.45 0.00 0.00 0.00 179.25 180.08 3lb0 h HIS 132 N 0.23 1.08 0.00 0.00 3.86 -0.72 -0.03 115.15 119.57 3lb0 h HIS 132 Ca 0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3lb0 h HIS 132 Cb 0.11 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.21 3lb0 h HIS 132 CO -0.03 0.67 0.00 -0.56 0.86 0.00 0.00 177.93 178.88 3lb0 h GLN 133 N 1.16 0.00 -0.51 2.45 3.07 -0.66 -1.64 115.11 118.98 3lb0 h GLN 133 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 3lb0 h GLN 133 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.45 3lb0 h GLN 133 CO -0.08 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.56 3lb0 n HIS 134 N -3.07 1.40 -2.87 0.06 8.25 -0.54 -4.97 115.22 113.49 3lb0 n HIS 134 Ca -0.00 -0.69 -0.22 0.00 -0.26 0.00 0.00 57.72 56.55 3lb0 n HIS 134 Cb 0.23 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.06 3lb0 n HIS 134 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3lb0 n ASN 135 N 0.57 -6.03 -4.45 0.41 3.02 -0.62 -4.82 115.26 103.35 3lb0 n ASN 135 Ca 0.24 -0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 3lb0 n ASN 135 Cb 0.92 -4.88 -0.13 0.00 -0.61 0.00 0.00 39.78 35.08 3lb0 n ASN 135 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3lb0 s VAL 136 N -3.14 3.59 0.46 2.41 1.01 -0.14 -4.06 120.40 120.53 3lb0 s VAL 136 Ca 0.23 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 3lb0 s VAL 136 Cb -0.10 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 3lb0 s VAL 136 CO 0.29 0.50 0.88 0.00 0.00 0.00 0.00 175.10 176.77 3lb0 s ALA 137 N 0.41 3.20 -0.18 5.51 0.00 -0.87 -3.61 121.76 126.23 3lb0 s ALA 137 Ca -0.06 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3lb0 s ALA 137 Cb -0.15 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3lb0 s ALA 137 CO 0.04 -0.12 -0.19 0.08 0.00 0.00 0.00 175.76 175.56 3lb0 s VAL 138 N -2.50 2.15 -0.23 0.00 1.01 -1.26 -1.41 120.40 118.17 3lb0 s VAL 138 Ca 0.55 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3lb0 s VAL 138 Cb -0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3lb0 s VAL 138 CO 0.31 0.53 0.48 -0.63 0.00 0.00 0.00 175.10 175.79 3lb0 s ILE 139 N 1.30 5.12 -0.17 2.22 1.01 -0.10 -1.24 121.20 129.35 3lb0 s ILE 139 Ca 0.05 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.46 3lb0 s ILE 139 Cb -0.13 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3lb0 s ILE 139 CO -0.12 0.16 0.06 -0.32 0.00 0.00 0.00 174.94 174.72 3lb0 s MET 140 N 1.83 3.88 0.21 2.79 1.75 -0.70 -1.17 119.30 127.88 3lb0 s MET 140 Ca 0.21 -0.34 0.09 0.00 -1.25 0.00 0.00 55.69 54.40 3lb0 s MET 140 Cb -0.15 -3.18 -0.05 0.00 2.84 0.00 0.00 34.83 34.29 3lb0 s MET 140 CO 0.09 0.34 -0.17 -1.54 -0.65 0.00 0.00 175.02 173.09 3lb0 s SER 141 N 0.19 2.84 -0.11 1.11 1.04 -0.02 0.03 113.70 118.79 3lb0 s SER 141 Ca 0.04 -0.98 -0.11 0.00 0.48 0.00 0.00 55.95 55.38 3lb0 s SER 141 Cb -0.12 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.85 3lb0 s SER 141 CO 0.00 -0.08 0.32 0.21 0.98 0.00 0.00 173.24 174.67 3lb0 s ASN 142 N -3.18 -0.32 -0.02 7.02 3.84 -0.80 -0.88 114.94 120.60 3lb0 s ASN 142 Ca 0.22 0.59 0.02 0.00 0.21 0.00 0.00 52.86 53.90 3lb0 s ASN 142 Cb -0.03 0.62 0.01 0.00 -0.55 0.00 0.00 41.25 41.30 3lb0 s ASN 142 CO 0.09 -0.14 -0.05 -1.00 -2.79 0.00 0.00 177.10 173.20 3lb0 s HIS 143 N 0.03 0.59 -0.30 0.43 3.76 -1.26 -1.58 115.29 116.96 3lb0 s HIS 143 Ca -0.01 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 3lb0 s HIS 143 Cb -0.03 -0.45 0.09 0.00 1.11 0.00 0.00 32.58 33.30 3lb0 s HIS 143 CO 0.01 -0.07 0.06 0.34 -0.85 0.00 0.00 174.74 174.23 3lb0 s ASP 144 N 0.27 4.07 0.00 1.40 -1.08 -0.44 -4.95 116.67 115.93 3lb0 s ASP 144 Ca -0.03 -1.62 0.27 0.00 -0.52 0.00 0.00 52.55 50.65 3lb0 s ASP 144 Cb -0.07 -1.04 1.35 0.00 -1.46 0.00 0.00 42.92 41.70 3lb0 s ASP 144 CO -0.00 -0.38 1.90 0.49 0.52 0.00 0.00 175.17 177.70 3lb0 n PHE 145 N 4.72 0.03 0.00 -5.34 3.72 -1.26 -1.03 117.46 118.30 3lb0 n PHE 145 Ca -0.03 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3lb0 n PHE 145 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3lb0 n PHE 145 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3lb0 n HIS 146 N -0.46 0.00 -3.91 1.38 8.25 -1.26 -4.74 115.22 114.47 3lb0 n HIS 146 Ca 0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.57 3lb0 n HIS 146 Cb 0.19 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3lb0 n HIS 146 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3lb0 s LYS 147 N -0.98 1.77 -0.27 -0.41 -2.85 -1.23 -4.85 119.74 110.91 3lb0 s LYS 147 Ca 0.00 -1.17 -0.03 0.00 -1.00 0.00 0.00 55.97 53.77 3lb0 s LYS 147 Cb 0.00 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 3lb0 s LYS 147 CO 0.00 -0.79 -0.02 0.99 0.10 0.00 0.00 175.35 175.63 3lb0 s THR 148 N -3.72 3.12 1.05 3.79 2.01 -0.93 -2.69 115.64 118.28 3lb0 s THR 148 Ca 0.16 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 3lb0 s THR 148 Cb -0.04 -2.63 0.22 0.00 0.01 0.00 0.00 72.50 70.06 3lb0 s THR 148 CO 0.09 0.11 1.07 -2.84 -0.69 0.00 0.00 174.62 172.36 3lb0 s PRO 149 N 1.35 -0.06 0.63 4.92 0.02 -1.26 -4.97 135.00 135.63 3lb0 s PRO 149 Ca -0.00 1.05 -0.18 0.00 0.02 0.00 0.00 61.00 61.88 3lb0 s PRO 149 Cb -0.17 -1.64 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 3lb0 s PRO 149 CO -0.02 -3.21 1.22 0.00 -0.33 0.00 0.00 177.00 174.66 3lb0 n ALA 150 N -4.58 0.95 -0.25 -1.55 0.00 -1.26 -4.77 120.51 109.05 3lb0 n ALA 150 Ca 0.06 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3lb0 n ALA 150 Cb 0.54 -2.28 0.15 0.00 0.00 0.00 0.00 19.45 17.86 3lb0 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lb0 h ALA 151 N 0.58 1.01 -0.36 0.00 0.00 -1.93 -1.23 119.26 117.32 3lb0 h ALA 151 Ca -0.50 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3lb0 h ALA 151 Cb 1.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3lb0 h ALA 151 CO 0.53 -0.07 0.05 1.49 0.00 0.00 0.00 179.25 181.25 3lb0 h GLU 152 N 0.58 0.55 -0.42 0.00 4.57 -1.95 -0.56 114.58 117.34 3lb0 h GLU 152 Ca 0.36 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.38 3lb0 h GLU 152 Cb 0.41 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3lb0 h GLU 152 CO -0.29 0.54 0.02 1.49 -1.18 0.00 0.00 179.01 179.59 3lb0 h GLU 153 N 0.53 0.73 -0.28 1.92 4.57 -1.61 -0.99 114.58 119.46 3lb0 h GLU 153 Ca 0.12 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3lb0 h GLU 153 Cb 0.27 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3lb0 h GLU 153 CO 0.00 0.80 0.15 0.82 -1.18 0.00 0.00 179.01 179.60 3lb0 h ILE 154 N 0.58 1.01 -0.28 2.32 2.04 -0.75 -1.56 117.51 120.85 3lb0 h ILE 154 Ca 0.12 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3lb0 h ILE 154 Cb 0.45 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3lb0 h ILE 154 CO 0.02 0.06 0.14 0.58 0.00 0.00 0.00 178.15 178.95 3lb0 h VAL 155 N 0.32 0.99 -0.22 1.67 2.07 -1.01 -1.95 116.25 118.12 3lb0 h VAL 155 Ca 0.11 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3lb0 h VAL 155 Cb 0.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3lb0 h VAL 155 CO -0.07 0.05 -0.03 1.56 0.02 0.00 0.00 177.57 179.11 3lb0 h GLN 156 N 0.30 0.33 -0.30 1.57 1.08 -0.90 0.49 115.11 117.67 3lb0 h GLN 156 Ca 0.12 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 3lb0 h GLN 156 Cb 0.04 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3lb0 h GLN 156 CO -0.08 0.38 -0.07 0.00 -0.95 0.00 0.00 178.83 178.11 3lb0 h ARG 157 N 0.32 0.57 -0.81 1.46 3.08 -1.01 -0.90 114.38 117.10 3lb0 h ARG 157 Ca 0.07 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3lb0 h ARG 157 Cb 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3lb0 h ARG 157 CO 0.01 0.76 0.36 -0.07 -1.07 0.00 0.00 179.97 179.97 3lb0 h LEU 158 N 0.34 1.08 -0.63 3.04 3.38 -0.79 -1.53 115.31 120.20 3lb0 h LEU 158 Ca 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3lb0 h LEU 158 Cb 0.55 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3lb0 h LEU 158 CO 0.03 0.93 0.33 -0.09 0.09 0.00 0.00 178.44 179.73 3lb0 h ARG 159 N 1.16 0.88 -0.61 1.13 2.43 -0.84 -2.66 114.38 115.87 3lb0 h ARG 159 Ca 0.27 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3lb0 h ARG 159 Cb 0.16 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3lb0 h ARG 159 CO -0.03 0.68 0.24 -0.22 -1.51 0.00 0.00 179.97 179.13 3lb0 h LYS 160 N 0.85 0.88 -0.92 0.20 3.64 -0.74 -1.30 116.57 119.19 3lb0 h LYS 160 Ca 0.22 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3lb0 h LYS 160 Cb 0.07 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3lb0 h LYS 160 CO -0.03 0.73 0.53 0.52 -2.27 0.00 0.00 179.45 178.93 3lb0 h MET 161 N 0.87 1.27 -0.25 1.90 2.86 -1.00 -0.61 114.93 119.97 3lb0 h MET 161 Ca 0.21 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3lb0 h MET 161 Cb 0.18 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3lb0 h MET 161 CO -0.02 0.91 0.02 1.96 1.06 0.00 0.00 176.91 180.84 3lb0 h GLN 162 N 1.28 0.43 -0.92 1.72 4.20 -1.10 -0.50 115.11 120.21 3lb0 h GLN 162 Ca 0.33 -0.12 0.15 0.00 0.06 0.00 0.00 58.65 59.06 3lb0 h GLN 162 Cb -0.02 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.63 3lb0 h GLN 162 CO -0.06 0.58 0.52 0.93 -0.67 0.00 0.00 178.83 180.13 3lb0 h GLU 163 N 0.22 0.73 0.00 1.46 5.08 -0.75 0.15 114.58 121.47 3lb0 h GLU 163 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3lb0 h GLU 163 Cb 0.37 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3lb0 h GLU 163 CO 0.01 0.48 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 3lb0 n LEU 164 N -4.78 0.00 0.00 1.33 4.77 -0.28 -4.88 117.00 113.16 3lb0 n LEU 164 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3lb0 n LEU 164 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3lb0 n LEU 164 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3lb0 n GLY 165 N 0.78 0.78 3.72 -0.72 0.00 0.54 -4.75 105.19 105.54 3lb0 n GLY 165 Ca 0.20 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3lb0 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lb0 n ALA 166 N -0.82 2.24 0.07 4.61 0.00 -0.22 -4.89 120.51 121.50 3lb0 n ALA 166 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 3lb0 n ALA 166 Cb 0.00 -2.43 0.09 0.00 0.00 0.00 0.00 19.45 17.11 3lb0 n ALA 166 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3lb0 h ASP 167 N 4.93 0.32 -2.59 0.00 3.32 -1.51 -3.43 116.42 117.47 3lb0 h ASP 167 Ca -0.46 -0.19 -0.44 0.00 0.02 0.00 0.00 57.03 55.95 3lb0 h ASP 167 Cb 1.23 -0.09 -0.38 0.00 0.22 0.00 0.00 39.33 40.31 3lb0 h ASP 167 CO 0.81 0.88 -0.72 -0.63 -1.72 0.00 0.00 179.24 177.86 3lb0 s ILE 168 N -3.70 -0.20 0.37 0.35 1.01 -0.96 -4.33 121.20 113.74 3lb0 s ILE 168 Ca -0.04 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3lb0 s ILE 168 Cb 0.12 -0.93 -0.11 0.00 0.01 0.00 0.00 42.46 41.55 3lb0 s ILE 168 CO 0.81 -0.57 1.42 -2.84 0.00 0.00 0.00 174.94 173.76 3lb0 s PRO 169 N 2.20 4.16 -0.02 2.79 0.02 -1.24 -1.72 135.00 141.20 3lb0 s PRO 169 Ca 0.08 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.55 3lb0 s PRO 169 Cb -0.15 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3lb0 s PRO 169 CO -0.32 -0.44 -0.01 0.21 -0.33 0.00 0.00 177.00 176.12 3lb0 s LYS 170 N -2.02 0.21 -0.04 5.54 2.20 0.10 -0.83 119.74 124.91 3lb0 s LYS 170 Ca 0.52 0.02 -0.03 0.00 -0.36 0.00 0.00 55.97 56.12 3lb0 s LYS 170 Cb -0.44 -0.32 0.01 0.00 -1.51 0.00 0.00 37.83 35.57 3lb0 s LYS 170 CO 0.59 -0.06 0.10 -1.50 -0.36 0.00 0.00 175.35 174.12 3lb0 s ILE 171 N 0.55 -0.00 -0.07 5.43 2.07 -0.22 -1.91 121.20 127.05 3lb0 s ILE 171 Ca -0.05 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3lb0 s ILE 171 Cb -0.08 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.38 3lb0 s ILE 171 CO -0.01 0.00 -0.10 0.00 -1.91 0.00 0.00 174.94 172.92 3lb0 s ALA 172 N 0.11 1.16 0.11 1.50 0.00 -0.62 -1.58 121.76 122.45 3lb0 s ALA 172 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.63 3lb0 s ALA 172 Cb -0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3lb0 s ALA 172 CO -0.00 0.01 -0.11 0.14 0.00 0.00 0.00 175.76 175.80 3lb0 s VAL 173 N 0.87 1.06 -0.24 0.00 -7.23 -0.72 -1.33 120.40 112.81 3lb0 s VAL 173 Ca -0.11 -1.78 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 3lb0 s VAL 173 Cb -0.15 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 3lb0 s VAL 173 CO 0.01 -0.60 0.10 -0.32 -0.31 0.00 0.00 175.10 173.98 3lb0 s MET 174 N -3.06 3.78 0.32 4.82 1.75 -0.19 -0.82 119.30 125.89 3lb0 s MET 174 Ca 0.09 -0.42 -0.27 0.00 -1.25 0.00 0.00 55.69 53.85 3lb0 s MET 174 Cb -0.01 -3.38 -0.09 0.00 2.84 0.00 0.00 34.83 34.18 3lb0 s MET 174 CO 0.01 -0.10 0.99 -1.25 -0.65 0.00 0.00 175.02 174.01 3lb0 s PRO 175 N 1.42 4.55 -0.01 4.11 0.04 -1.26 -2.18 135.00 141.67 3lb0 s PRO 175 Ca 0.06 1.46 0.13 0.00 0.04 0.00 0.00 61.00 62.69 3lb0 s PRO 175 Cb -0.15 -2.88 -0.19 0.00 0.04 0.00 0.00 34.50 31.32 3lb0 s PRO 175 CO 0.05 0.22 0.38 1.04 0.04 0.00 0.00 177.00 178.74 3lb0 n GLN 176 N 0.68 1.15 -4.18 4.56 6.02 -1.26 -4.96 117.38 119.39 3lb0 n GLN 176 Ca 0.01 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 3lb0 n GLN 176 Cb 0.49 -1.26 -0.10 0.00 1.02 0.00 0.00 30.24 30.39 3lb0 n GLN 176 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3lb0 s THR 177 N -2.71 0.04 0.23 5.09 -4.23 -1.26 -5.04 115.64 107.75 3lb0 s THR 177 Ca -0.02 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.48 3lb0 s THR 177 Cb 0.09 -2.32 0.10 0.00 1.34 0.00 0.00 72.50 71.72 3lb0 s THR 177 CO 0.56 -0.19 1.72 0.11 -0.54 0.00 0.00 174.62 176.28 3lb0 h LYS 178 N 2.72 0.95 -0.85 3.99 1.57 -1.96 -2.47 116.57 120.52 3lb0 h LYS 178 Ca -0.36 -0.26 0.10 0.00 -1.87 0.00 0.00 60.65 58.27 3lb0 h LYS 178 Cb 1.23 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 3lb0 h LYS 178 CO 0.55 0.92 0.55 0.00 -0.57 0.00 0.00 179.45 180.90 3lb0 h ALA 179 N 1.15 1.72 -0.34 3.86 0.00 -2.00 -1.03 119.26 122.62 3lb0 h ALA 179 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3lb0 h ALA 179 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3lb0 h ALA 179 CO 0.02 0.09 0.19 -0.44 0.00 0.00 0.00 179.25 179.11 3lb0 h ASP 180 N 0.79 0.40 -0.19 0.00 3.32 -1.85 0.69 116.42 119.59 3lb0 h ASP 180 Ca 0.40 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 3lb0 h ASP 180 Cb 0.47 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3lb0 h ASP 180 CO -0.16 0.33 0.06 0.58 -1.72 0.00 0.00 179.24 178.32 3lb0 h VAL 181 N 0.47 1.19 -0.30 -1.35 2.07 -1.23 -2.44 116.25 114.67 3lb0 h VAL 181 Ca 0.12 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3lb0 h VAL 181 Cb 0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3lb0 h VAL 181 CO -0.02 0.18 0.11 -0.07 0.02 0.00 0.00 177.57 177.79 3lb0 h LEU 182 N 0.12 0.37 -0.72 2.57 3.38 -1.21 -2.07 115.31 117.76 3lb0 h LEU 182 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3lb0 h LEU 182 Cb 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3lb0 h LEU 182 CO -0.00 0.35 0.38 0.74 0.09 0.00 0.00 178.44 180.00 3lb0 h THR 183 N 0.42 1.22 -0.60 0.22 2.02 -0.62 0.10 112.91 115.67 3lb0 h THR 183 Ca 0.10 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 3lb0 h THR 183 Cb 0.10 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3lb0 h THR 183 CO -0.01 0.25 0.06 0.25 0.37 0.00 0.00 175.52 176.44 3lb0 h LEU 184 N 0.99 0.99 -0.69 2.58 7.12 -0.95 -1.09 115.31 124.25 3lb0 h LEU 184 Ca 0.25 -0.28 -0.10 0.00 0.13 0.00 0.00 57.88 57.88 3lb0 h LEU 184 Cb 0.06 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 39.91 3lb0 h LEU 184 CO -0.04 1.02 -0.11 -0.07 -0.13 0.00 0.00 178.44 179.12 3lb0 h LEU 185 N 0.92 0.90 -0.44 2.25 3.38 -1.09 -1.55 115.31 119.68 3lb0 h LEU 185 Ca 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3lb0 h LEU 185 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3lb0 h LEU 185 CO 0.02 1.02 0.27 0.74 0.09 0.00 0.00 178.44 180.58 3lb0 h THR 186 N 0.81 1.14 -0.69 0.22 2.02 -0.48 -1.00 112.91 114.93 3lb0 h THR 186 Ca 0.13 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3lb0 h THR 186 Cb 0.63 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3lb0 h THR 186 CO 0.04 0.14 0.32 0.00 0.37 0.00 0.00 175.52 176.39 3lb0 h ALA 187 N 1.13 1.26 0.02 6.16 0.00 -0.99 -0.19 119.26 126.64 3lb0 h ALA 187 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3lb0 h ALA 187 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3lb0 h ALA 187 CO -0.03 0.56 -0.01 1.15 0.00 0.00 0.00 179.25 180.92 3lb0 h THR 188 N 0.98 0.98 -0.51 0.00 2.02 -0.72 0.50 112.91 116.17 3lb0 h THR 188 Ca 0.24 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 3lb0 h THR 188 Cb 0.12 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3lb0 h THR 188 CO -0.03 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.68 3lb0 h VAL 189 N -0.03 1.20 -0.38 3.16 2.07 -0.82 -1.36 116.25 120.09 3lb0 h VAL 189 Ca -0.00 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3lb0 h VAL 189 Cb 0.03 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3lb0 h VAL 189 CO 0.00 0.22 0.14 -0.33 0.02 0.00 0.00 177.57 177.63 3lb0 h GLU 190 N 0.68 0.57 -0.81 1.57 5.08 -0.90 -1.09 114.58 119.67 3lb0 h GLU 190 Ca 0.17 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3lb0 h GLU 190 Cb 0.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3lb0 h GLU 190 CO -0.02 0.55 0.40 1.98 -1.00 0.00 0.00 179.01 180.92 3lb0 h MET 191 N 0.46 1.16 0.51 2.33 4.05 -0.74 0.11 114.93 122.81 3lb0 h MET 191 Ca 0.12 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 3lb0 h MET 191 Cb 0.21 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3lb0 h MET 191 CO -0.01 0.89 -0.35 1.96 0.23 0.00 0.00 176.91 179.63 3lb0 h GLN 192 N 1.14 -0.79 0.00 0.39 1.08 -0.97 0.63 115.11 116.60 3lb0 h GLN 192 Ca 0.28 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 3lb0 h GLN 192 Cb 0.10 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3lb0 h GLN 192 CO -0.04 -0.52 0.00 0.39 -0.95 0.00 0.00 178.83 177.71 3lb0 n GLU 193 N -4.55 0.24 -0.08 1.46 1.02 -0.44 -3.65 120.64 114.64 3lb0 n GLU 193 Ca -0.10 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 3lb0 n GLU 193 Cb 0.35 -1.85 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 3lb0 n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3lb0 n ARG 194 N -2.28 1.08 0.00 3.49 1.74 0.02 -4.94 116.66 115.77 3lb0 n ARG 194 Ca 0.04 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3lb0 n ARG 194 Cb 0.35 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3lb0 n ARG 194 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3lb0 n TYR 195 N -2.78 0.00 -1.99 -1.55 4.01 -0.54 -5.07 117.16 109.24 3lb0 n TYR 195 Ca -0.28 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 3lb0 n TYR 195 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.91 3lb0 n TYR 195 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3lb0 s ALA 196 N -1.26 3.69 -0.10 -0.72 0.00 0.10 -4.88 121.76 118.60 3lb0 s ALA 196 Ca 0.00 1.33 0.14 0.00 0.00 0.00 0.00 51.96 53.43 3lb0 s ALA 196 Cb 0.00 -3.59 0.25 0.00 0.00 0.00 0.00 23.12 19.79 3lb0 s ALA 196 CO 0.00 -0.75 1.13 -0.40 0.00 0.00 0.00 175.76 175.74 3lb0 n ASP 197 N 3.21 1.55 -3.80 0.00 5.75 -1.26 -4.95 116.55 117.05 3lb0 n ASP 197 Ca 0.10 -2.88 -0.06 0.00 -0.01 0.00 0.00 54.79 51.94 3lb0 n ASP 197 Cb 0.40 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 3lb0 n ASP 197 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lb0 s ARG 198 N -2.00 1.58 0.56 0.11 1.70 -1.26 -4.41 118.95 115.22 3lb0 s ARG 198 Ca 0.25 -0.85 -0.19 0.00 -0.47 0.00 0.00 55.73 54.47 3lb0 s ARG 198 Cb 0.24 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 35.12 3lb0 s ARG 198 CO -0.01 -0.72 1.15 -2.14 -1.08 0.00 0.00 175.30 172.50 3lb0 s PRO 199 N -3.72 3.20 0.11 3.89 0.02 -1.19 -4.90 135.00 132.42 3lb0 s PRO 199 Ca 0.11 1.68 0.07 0.00 0.02 0.00 0.00 61.00 62.87 3lb0 s PRO 199 Cb -0.04 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 3lb0 s PRO 199 CO 0.04 -0.98 -0.17 0.96 -0.33 0.00 0.00 177.00 176.52 3lb0 s ILE 200 N -1.73 1.46 -0.12 2.83 -4.36 -1.26 -3.65 121.20 114.37 3lb0 s ILE 200 Ca 0.74 -1.61 0.02 0.00 -0.26 0.00 0.00 60.65 59.54 3lb0 s ILE 200 Cb -0.26 -1.49 0.01 0.00 1.25 0.00 0.00 42.46 41.98 3lb0 s ILE 200 CO 0.29 -0.26 -0.17 -0.63 0.24 0.00 0.00 174.94 174.41 3lb0 s ILE 201 N -1.68 1.63 0.06 8.37 1.01 -0.01 -0.23 121.20 130.36 3lb0 s ILE 201 Ca 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3lb0 s ILE 201 Cb -0.07 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3lb0 s ILE 201 CO 0.04 0.47 -0.08 0.42 0.00 0.00 0.00 174.94 175.78 3lb0 s THR 202 N 0.99 0.68 -0.12 2.92 -4.23 -1.26 -1.06 115.64 113.56 3lb0 s THR 202 Ca -0.06 -1.33 -0.23 0.00 -1.18 0.00 0.00 61.69 58.89 3lb0 s THR 202 Cb -0.15 -0.95 0.06 0.00 1.34 0.00 0.00 72.50 72.80 3lb0 s THR 202 CO -0.03 -0.48 0.58 -0.32 -0.54 0.00 0.00 174.62 173.83 3lb0 s MET 203 N -2.18 0.82 -0.25 3.99 0.00 -0.61 -4.85 119.30 116.23 3lb0 s MET 203 Ca -0.03 0.44 -0.05 0.00 0.00 0.00 0.00 55.69 56.04 3lb0 s MET 203 Cb -0.06 0.39 -0.01 0.00 0.00 0.00 0.00 34.83 35.15 3lb0 s MET 203 CO -0.00 -0.19 0.02 0.45 0.00 0.00 0.00 175.02 175.29 3lb0 s SER 204 N -0.52 4.73 0.92 1.11 0.15 -1.26 -1.75 113.70 117.08 3lb0 s SER 204 Ca -0.06 -0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.03 3lb0 s SER 204 Cb -0.03 -1.82 0.15 0.00 -1.71 0.00 0.00 66.02 62.61 3lb0 s SER 204 CO 0.05 -0.07 1.16 -0.04 1.20 0.00 0.00 173.24 175.54 3lb0 s MET 205 N 1.52 1.04 0.02 5.44 1.00 -0.00 -4.23 119.30 124.08 3lb0 s MET 205 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 55.69 55.91 3lb0 s MET 205 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 34.83 32.84 3lb0 s MET 205 CO -0.00 -2.24 0.00 -1.13 0.00 0.00 0.00 175.02 171.65 3lb0 n SER 206 N -3.77 -0.31 -0.21 3.03 3.41 -1.26 -3.17 113.62 111.33 3lb0 n SER 206 Ca 0.08 0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.80 3lb0 n SER 206 Cb 0.60 -0.17 0.34 0.00 -0.26 0.00 0.00 64.21 64.72 3lb0 n SER 206 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3lb0 h LYS 207 N -0.05 0.76 -0.47 4.33 1.57 -2.01 -2.06 116.57 118.64 3lb0 h LYS 207 Ca -0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3lb0 h LYS 207 Cb 0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3lb0 h LYS 207 CO 0.00 0.50 0.31 1.15 -0.57 0.00 0.00 179.45 180.85 3lb0 h THR 208 N 0.78 1.09 -0.55 -0.16 2.02 -1.95 -2.58 112.91 111.56 3lb0 h THR 208 Ca 0.35 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3lb0 h THR 208 Cb 0.34 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3lb0 h THR 208 CO -0.13 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.48 3lb0 n GLY 209 N -1.47 1.71 0.41 2.16 0.00 -0.78 -4.50 105.19 102.71 3lb0 n GLY 209 Ca 0.05 -0.64 0.23 0.00 0.00 0.00 0.00 46.02 45.65 3lb0 n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lb0 h VAL 210 N 3.52 0.67 0.00 1.61 2.07 -1.34 0.05 116.25 122.84 3lb0 h VAL 210 Ca 0.00 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3lb0 h VAL 210 Cb 0.80 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3lb0 h VAL 210 CO 0.00 0.00 -0.11 -0.29 0.02 0.00 0.00 177.57 177.19 3lb0 h ILE 211 N 0.01 0.71 0.00 4.57 6.09 -1.84 0.28 117.51 127.33 3lb0 h ILE 211 Ca 0.32 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3lb0 h ILE 211 Cb 1.25 1.28 0.00 0.00 0.47 0.00 0.00 36.82 39.82 3lb0 h ILE 211 CO -0.01 0.11 0.00 0.77 -3.07 0.00 0.00 178.15 175.95 3lb0 h SER 212 N 0.00 0.00 1.08 2.19 4.64 -1.28 -1.54 113.55 118.65 3lb0 h SER 212 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lb0 h SER 212 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3lb0 h SER 212 CO 0.01 0.00 -0.66 0.03 -0.87 0.00 0.00 176.83 175.34 3lb0 h ARG 213 N 0.00 0.00 0.00 4.77 3.08 -1.06 -3.39 114.38 117.78 3lb0 h ARG 213 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3lb0 h ARG 213 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3lb0 h ARG 213 CO 0.00 0.00 -2.09 1.28 -1.07 0.00 0.00 179.97 178.09 3lb0 n LEU 214 N -2.45 0.00 -1.90 3.04 4.77 -0.79 -4.65 117.00 115.01 3lb0 n LEU 214 Ca 0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3lb0 n LEU 214 Cb 0.49 0.33 0.31 0.00 -2.33 0.00 0.00 43.42 42.22 3lb0 n LEU 214 CO 0.37 0.33 0.95 0.00 -1.33 0.00 0.00 177.39 177.71 3lb0 n ALA 215 N -2.52 4.28 0.25 -1.18 0.00 -0.65 -4.61 120.51 116.08 3lb0 n ALA 215 Ca -0.22 -2.05 0.08 0.00 0.00 0.00 0.00 53.44 51.24 3lb0 n ALA 215 Cb 0.93 -1.21 0.61 0.00 0.00 0.00 0.00 19.45 19.77 3lb0 n ALA 215 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3lb0 h GLY 216 N 3.22 0.00 0.89 0.00 0.00 -1.79 -2.23 103.07 103.16 3lb0 h GLY 216 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3lb0 h GLY 216 CO 0.63 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 175.07 3lb0 h GLU 217 N 0.00 0.55 0.14 4.80 4.81 -1.82 0.11 114.58 123.17 3lb0 h GLU 217 Ca -0.00 -0.18 -0.28 0.00 -0.13 0.00 0.00 59.36 58.76 3lb0 h GLU 217 Cb 0.21 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.55 3lb0 h GLU 217 CO 0.01 0.70 -1.26 -0.24 -0.73 0.00 0.00 179.01 177.49 3lb0 h VAL 218 N 0.34 1.44 0.00 0.32 3.04 -1.91 -3.37 116.25 116.11 3lb0 h VAL 218 Ca 0.09 -2.90 -0.03 0.00 -1.01 0.00 0.00 66.70 62.84 3lb0 h VAL 218 Cb 0.46 2.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.64 3lb0 h VAL 218 CO 0.02 0.85 -1.13 0.49 -1.01 0.00 0.00 177.57 176.79 3lb0 n PHE 219 N -3.60 0.93 0.00 3.17 3.72 -0.85 -5.00 117.46 115.82 3lb0 n PHE 219 Ca -0.10 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3lb0 n PHE 219 Cb 1.02 -0.96 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3lb0 n PHE 219 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lb0 n GLY 220 N 1.23 1.97 3.52 1.37 0.00 0.26 -3.74 105.19 109.79 3lb0 n GLY 220 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3lb0 n GLY 220 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lb0 s SER 221 N -2.00 4.97 0.01 1.61 0.15 -0.53 -4.51 113.70 113.40 3lb0 s SER 221 Ca 0.00 -0.09 0.26 0.00 0.70 0.00 0.00 55.95 56.82 3lb0 s SER 221 Cb 0.00 -1.82 0.67 0.00 -1.71 0.00 0.00 66.02 63.16 3lb0 s SER 221 CO 0.00 0.16 1.54 0.00 1.20 0.00 0.00 173.24 176.14 3lb0 n ALA 222 N 3.59 3.21 -3.40 5.45 0.00 0.68 -4.26 120.51 125.77 3lb0 n ALA 222 Ca -0.17 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.88 3lb0 n ALA 222 Cb 0.52 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3lb0 n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lb0 s ALA 223 N -3.01 -1.25 0.10 0.00 0.00 -1.26 -1.37 121.76 114.97 3lb0 s ALA 223 Ca 0.11 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 3lb0 s ALA 223 Cb 0.18 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.15 3lb0 s ALA 223 CO 0.66 -0.81 0.25 -0.08 0.00 0.00 0.00 175.76 175.78 3lb0 s THR 224 N -3.82 0.12 0.01 0.00 -1.32 -0.06 -4.61 115.64 105.97 3lb0 s THR 224 Ca 0.05 -1.02 0.03 0.00 -1.21 0.00 0.00 61.69 59.54 3lb0 s THR 224 Cb -0.01 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.65 3lb0 s THR 224 CO -0.07 -0.56 -0.02 -0.36 -2.21 0.00 0.00 174.62 171.40 3lb0 s PHE 225 N -3.83 3.00 0.16 9.09 0.40 -1.26 -0.48 117.98 125.06 3lb0 s PHE 225 Ca 0.04 0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 3lb0 s PHE 225 Cb 0.04 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.94 3lb0 s PHE 225 CO -0.11 0.43 0.32 0.20 0.70 0.00 0.00 175.22 176.76 3lb0 s GLY 226 N -1.61 0.30 0.08 4.36 0.00 -0.80 -4.78 107.32 104.86 3lb0 s GLY 226 Ca 0.19 -0.71 0.08 0.00 0.00 0.00 0.00 44.72 44.29 3lb0 s GLY 226 CO 0.10 -0.72 -0.19 0.00 0.00 0.00 0.00 173.10 172.29 3lb0 s ALA 227 N -3.93 2.60 -0.47 3.20 0.00 -1.26 -4.37 121.76 117.53 3lb0 s ALA 227 Ca 0.14 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 3lb0 s ALA 227 Cb 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 3lb0 s ALA 227 CO -0.02 0.58 3.09 0.28 0.00 0.00 0.00 175.76 179.69 3lb0 n VAL 228 N 1.20 3.48 -0.50 0.00 0.31 -1.26 -1.70 118.33 119.86 3lb0 n VAL 228 Ca -0.16 -2.50 -0.19 0.00 -0.01 0.00 0.00 64.34 61.48 3lb0 n VAL 228 Cb 0.52 -1.90 0.02 0.00 -0.91 0.00 0.00 33.84 31.57 3lb0 n VAL 228 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3lb0 n ILE 237 N 1.85 0.00 -1.46 2.52 -5.35 -1.26 -4.79 119.36 110.87 3lb0 n ILE 237 Ca 0.51 -0.07 -0.32 0.00 -0.27 0.00 0.00 62.75 62.59 3lb0 n ILE 237 Cb 0.64 0.00 0.08 0.00 -1.74 0.00 0.00 39.64 38.61 3lb0 n ILE 237 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3lb0 s SER 238 N -0.50 4.63 0.27 7.28 1.04 -1.26 -4.63 113.70 120.52 3lb0 s SER 238 Ca 0.18 1.98 -0.04 0.00 0.48 0.00 0.00 55.95 58.55 3lb0 s SER 238 Cb 0.01 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 63.92 3lb0 s SER 238 CO 0.35 -1.95 1.89 0.58 0.98 0.00 0.00 173.24 175.09 3lb0 h VAL 239 N -0.58 1.24 -0.10 5.02 2.07 -1.63 0.73 116.25 122.99 3lb0 h VAL 239 Ca -0.45 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3lb0 h VAL 239 Cb 1.25 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3lb0 h VAL 239 CO 0.52 0.26 0.05 0.00 0.02 0.00 0.00 177.57 178.42 3lb0 h ALA 240 N 1.36 0.13 -0.70 1.67 0.00 -1.90 -0.80 119.26 119.02 3lb0 h ALA 240 Ca 0.29 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3lb0 h ALA 240 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3lb0 h ALA 240 CO -0.05 -0.30 0.19 -0.44 0.00 0.00 0.00 179.25 178.65 3lb0 h ASP 241 N 0.04 1.04 -0.30 0.00 3.32 -1.85 -1.49 116.42 117.17 3lb0 h ASP 241 Ca 0.04 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3lb0 h ASP 241 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3lb0 h ASP 241 CO -0.00 0.98 0.13 0.25 -1.72 0.00 0.00 179.24 178.88 3lb0 h LEU 242 N 1.05 0.40 -0.80 1.55 5.85 -0.71 -1.91 115.31 120.74 3lb0 h LEU 242 Ca 0.22 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3lb0 h LEU 242 Cb 0.34 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3lb0 h LEU 242 CO -0.00 0.43 0.38 -0.09 -0.34 0.00 0.00 178.44 178.82 3lb0 h ARG 243 N 0.34 1.16 -0.24 1.25 9.65 -0.90 -1.54 114.38 124.09 3lb0 h ARG 243 Ca 0.10 -0.17 0.05 0.00 -1.10 0.00 0.00 59.98 58.86 3lb0 h ARG 243 Cb 0.15 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 3lb0 h ARG 243 CO -0.01 0.90 -0.10 1.15 2.80 0.00 0.00 179.97 184.71 3lb0 h THR 244 N 1.13 0.66 -0.22 0.20 2.02 -0.97 -1.34 112.91 114.39 3lb0 h THR 244 Ca 0.27 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.39 3lb0 h THR 244 Cb 0.13 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3lb0 h THR 244 CO -0.03 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.34 3lb0 h VAL 245 N -0.06 1.30 -0.93 3.16 2.07 -1.14 -2.38 116.25 118.27 3lb0 h VAL 245 Ca 0.13 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3lb0 h VAL 245 Cb 0.25 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3lb0 h VAL 245 CO -0.29 0.35 0.60 -0.07 0.02 0.00 0.00 177.57 178.19 3lb0 h LEU 246 N 0.17 0.94 -0.33 2.57 3.38 -1.19 -0.17 115.31 120.69 3lb0 h LEU 246 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3lb0 h LEU 246 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3lb0 h LEU 246 CO 0.03 0.61 -0.13 0.74 0.09 0.00 0.00 178.44 179.78 3lb0 h THR 247 N 1.07 1.29 -0.55 0.22 2.02 -1.18 -1.32 112.91 114.46 3lb0 h THR 247 Ca 0.39 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.37 3lb0 h THR 247 Cb 0.17 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3lb0 h THR 247 CO -0.15 0.40 0.36 0.40 0.37 0.00 0.00 175.52 176.90 3lb0 h ILE 248 N 0.44 1.12 0.00 3.11 2.04 -0.86 -2.31 117.51 121.04 3lb0 h ILE 248 Ca 0.08 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3lb0 h ILE 248 Cb 0.65 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3lb0 h ILE 248 CO 0.04 0.13 0.00 -0.07 0.00 0.00 0.00 178.15 178.25 3lb0 h LEU 249 N 0.73 0.00 0.07 1.44 3.38 -0.89 -2.96 115.31 117.07 3lb0 h LEU 249 Ca 0.21 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 3lb0 h LEU 249 Cb -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3lb0 h LEU 249 CO -0.06 0.00 -1.16 -0.74 0.09 0.00 0.00 178.44 176.58 3lb0 h HIS 250 N 0.00 0.37 0.00 1.13 2.76 -0.70 -3.49 115.15 115.22 3lb0 h HIS 250 Ca 0.00 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 3lb0 h HIS 250 Cb 0.53 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.47 3lb0 h HIS 250 CO 0.00 1.20 0.00 1.04 -1.30 0.00 0.00 177.93 178.87