#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 -0.70 0.31 1.20 2.96 -1.26 -4.70 118.68 116.48 3lb0 s LEU -6 Ca 0.00 0.86 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 3lb0 s LEU -6 Cb 0.00 1.76 -0.05 0.00 0.50 0.00 0.00 46.19 48.40 3lb0 s LEU -6 CO 0.00 -0.13 0.02 -0.72 -1.32 0.00 0.00 176.35 174.19 3lb0 s TYR -5 N 2.60 2.62 0.32 5.38 -0.85 -1.26 -4.71 117.35 121.45 3lb0 s TYR -5 Ca -0.01 -0.33 0.10 0.00 -0.52 0.00 0.00 57.07 56.30 3lb0 s TYR -5 Cb -0.08 -1.37 -0.06 0.00 0.38 0.00 0.00 41.96 40.83 3lb0 s TYR -5 CO -0.17 0.52 -0.09 -0.06 -1.52 0.00 0.00 175.55 174.23 3lb0 s PHE -4 N -2.42 2.43 -0.20 -3.49 0.08 -0.34 -4.98 117.98 109.06 3lb0 s PHE -4 Ca 0.34 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.71 3lb0 s PHE -4 Cb -0.03 -1.30 0.06 0.00 -0.57 0.00 0.00 43.02 41.18 3lb0 s PHE -4 CO 0.20 0.60 0.66 1.14 -0.10 0.00 0.00 175.22 177.72 3lb0 s GLN -3 N -3.61 0.84 -0.14 0.44 -2.07 -1.26 -0.88 119.66 112.98 3lb0 s GLN -3 Ca 0.32 0.74 -0.00 0.00 -1.82 0.00 0.00 55.36 54.60 3lb0 s GLN -3 Cb -0.01 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.35 3lb0 s GLN -3 CO 0.17 -0.15 -0.09 0.45 -1.32 0.00 0.00 175.29 174.35 3lb0 s SER -2 N -0.06 2.49 0.41 12.60 0.15 -0.51 -5.00 113.70 123.78 3lb0 s SER -2 Ca -0.03 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.32 3lb0 s SER -2 Cb -0.04 -0.96 0.89 0.00 -1.71 0.00 0.00 66.02 64.20 3lb0 s SER -2 CO 0.03 -0.12 1.91 -0.55 1.20 0.00 0.00 173.24 175.71 3lb0 h ASN -1 N 8.13 0.00 0.59 5.45 7.08 -1.85 -0.82 115.58 134.16 3lb0 h ASN -1 Ca -0.31 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.63 3lb0 h ASN -1 Cb 1.13 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.34 3lb0 h ASN -1 CO 0.44 0.28 -1.45 0.00 -2.08 0.00 0.00 177.43 174.62 3lb0 h ALA 0 N 1.72 0.41 0.00 4.14 0.00 -1.95 -3.27 119.26 120.30 3lb0 h ALA 0 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 3lb0 h ALA 0 Cb 0.51 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3lb0 h ALA 0 CO 0.04 1.27 -0.58 -1.33 0.00 0.00 0.00 179.25 178.64 3lb0 n MET 1 N -3.34 0.07 -3.54 0.00 2.81 -1.22 -4.97 117.12 106.95 3lb0 n MET 1 Ca -0.13 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.57 3lb0 n MET 1 Cb 1.02 -1.54 0.06 0.00 -0.71 0.00 0.00 33.22 32.05 3lb0 n MET 1 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3lb0 n LYS 2 N -1.64 -4.24 -4.31 0.03 5.02 -0.38 -4.88 118.16 107.76 3lb0 n LYS 2 Ca 0.05 0.71 -0.19 0.00 -2.02 0.00 0.00 58.31 56.86 3lb0 n LYS 2 Cb 0.36 -5.34 -0.10 0.00 -0.02 0.00 0.00 35.03 29.93 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 -3.51 1.63 -0.07 -0.18 -4.23 -0.81 -3.03 115.64 105.43 3lb0 s THR 3 Ca 0.16 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3lb0 s THR 3 Cb -0.04 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.94 3lb0 s THR 3 CO 0.78 -0.52 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.62 3lb0 s VAL 4 N -2.66 0.57 -0.28 2.29 1.01 -0.37 -1.43 120.40 119.55 3lb0 s VAL 4 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 3lb0 s VAL 4 Cb -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3lb0 s VAL 4 CO 0.05 0.27 0.05 -0.89 0.00 0.00 0.00 175.10 174.58 3lb0 s THR 5 N 1.50 3.80 -0.09 3.92 2.01 -0.06 -0.53 115.64 126.20 3lb0 s THR 5 Ca -0.01 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.37 3lb0 s THR 5 Cb -0.13 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3lb0 s THR 5 CO -0.04 0.16 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.16 3lb0 s VAL 6 N 1.49 1.80 -1.39 3.82 1.01 -0.45 -1.19 120.40 125.48 3lb0 s VAL 6 Ca 0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3lb0 s VAL 6 Cb -0.17 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3lb0 s VAL 6 CO 0.01 0.50 0.13 0.54 0.00 0.00 0.00 175.10 176.29 3lb0 n ARG 7 N 3.55 -0.80 -0.20 2.72 1.74 -1.26 0.29 116.66 122.70 3lb0 n ARG 7 Ca -0.20 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3lb0 n ARG 7 Cb 0.53 -3.12 0.00 0.00 -1.02 0.00 0.00 32.46 28.84 3lb0 n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3lb0 n ASP 8 N -2.54 0.00 -4.65 0.55 8.00 -1.26 -4.79 116.55 111.86 3lb0 n ASP 8 Ca -0.27 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.82 3lb0 n ASP 8 Cb 0.63 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 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 4.12 -0.55 0.64 2.96 0.15 -5.01 118.68 120.98 3lb0 s LEU 9 Ca 0.00 1.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.73 3lb0 s LEU 9 Cb 0.00 -3.12 0.08 0.00 0.50 0.00 0.00 46.19 43.66 3lb0 s LEU 9 CO 0.00 -0.42 0.66 -0.69 -1.32 0.00 0.00 176.35 174.58 3lb0 s VAL 10 N 2.43 4.85 -0.16 1.68 1.01 -1.26 -1.34 120.40 127.61 3lb0 s VAL 10 Ca 0.34 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 3lb0 s VAL 10 Cb -0.16 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3lb0 s VAL 10 CO 0.10 -0.98 0.68 -0.69 0.00 0.00 0.00 175.10 174.20 3lb0 s VAL 11 N 2.63 5.01 0.00 2.92 1.01 0.31 -3.44 120.40 128.84 3lb0 s VAL 11 Ca 0.13 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3lb0 s VAL 11 Cb -0.22 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3lb0 s VAL 11 CO 0.08 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3lb0 n GLY 12 N 3.56 0.72 3.40 4.51 0.00 -1.26 -1.23 105.19 114.89 3lb0 n GLY 12 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.54 2.26 4.77 1.61 2.12 -1.22 -4.78 118.70 122.92 3lb0 s GLU 13 Ca 0.00 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.48 3lb0 s GLU 13 Cb 0.00 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.19 3lb0 s GLU 13 CO 0.00 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 3lb0 n GLY 14 N 2.25 1.71 3.78 -1.50 0.00 -1.26 -4.76 105.19 105.40 3lb0 n GLY 14 Ca -0.17 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.92 3.04 0.51 4.61 0.00 -1.26 -4.86 121.76 121.87 3lb0 s ALA 15 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 3lb0 s ALA 15 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3lb0 s ALA 15 CO 0.00 -0.37 0.92 -2.30 0.00 0.00 0.00 175.76 174.01 3lb0 n PRO 16 N -0.26 1.07 -3.25 0.00 -0.02 -1.26 -4.93 135.00 126.34 3lb0 n PRO 16 Ca 0.06 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3lb0 n PRO 16 Cb 0.49 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.28 3.88 -0.25 -0.52 -0.14 -0.47 -4.87 119.74 115.08 3lb0 s LYS 17 Ca 0.68 0.45 -0.10 0.00 -1.36 0.00 0.00 55.97 55.64 3lb0 s LYS 17 Cb -0.49 -2.53 -0.05 0.00 -1.68 0.00 0.00 37.83 33.08 3lb0 s LYS 17 CO 0.53 0.22 0.16 0.42 -0.76 0.00 0.00 175.35 175.92 3lb0 s ILE 18 N -1.94 5.24 -0.15 2.17 1.01 -1.26 -0.61 121.20 125.66 3lb0 s ILE 18 Ca 0.50 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 61.24 3lb0 s ILE 18 Cb -0.11 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3lb0 s ILE 18 CO 0.20 0.32 0.03 -0.63 0.00 0.00 0.00 174.94 174.86 3lb0 s ILE 19 N 1.32 4.49 0.03 2.92 1.01 0.54 -0.56 121.20 130.95 3lb0 s ILE 19 Ca 0.07 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.66 3lb0 s ILE 19 Cb -0.14 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 3lb0 s ILE 19 CO 0.07 0.51 -0.25 0.68 0.00 0.00 0.00 174.94 175.94 3lb0 s VAL 20 N 0.03 2.21 -0.18 2.92 -7.23 -0.69 -1.47 120.40 115.98 3lb0 s VAL 20 Ca 0.04 -1.30 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 3lb0 s VAL 20 Cb -0.13 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 3lb0 s VAL 20 CO 0.01 0.41 0.02 -0.44 -0.31 0.00 0.00 175.10 174.79 3lb0 s SER 21 N -1.12 5.17 -0.22 4.85 0.01 -1.26 -0.08 113.70 121.05 3lb0 s SER 21 Ca 0.12 -0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.17 3lb0 s SER 21 Cb -0.10 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 3lb0 s SER 21 CO 0.02 0.15 0.38 -0.22 0.41 0.00 0.00 173.24 173.98 3lb0 s LEU 22 N 0.51 4.13 -0.20 2.44 0.20 0.10 -4.91 118.68 120.95 3lb0 s LEU 22 Ca 0.00 0.46 0.01 0.00 0.69 0.00 0.00 54.13 55.29 3lb0 s LEU 22 Cb -0.14 -2.48 0.03 0.00 -0.43 0.00 0.00 46.19 43.17 3lb0 s LEU 22 CO 0.02 -0.09 -0.18 -0.04 -0.29 0.00 0.00 176.35 175.77 3lb0 s MET 23 N 1.44 2.85 -0.13 1.98 -1.94 -1.26 -1.30 119.30 120.95 3lb0 s MET 23 Ca 0.18 -0.93 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 3lb0 s MET 23 Cb -0.15 -2.64 0.06 0.00 2.01 0.00 0.00 34.83 34.12 3lb0 s MET 23 CO 0.08 -0.28 0.26 0.20 -0.01 0.00 0.00 175.02 175.27 3lb0 s GLY 24 N 1.26 -0.12 0.08 -0.03 0.00 -1.26 -4.87 107.32 102.38 3lb0 s GLY 24 Ca 0.02 0.94 -0.18 0.00 0.00 0.00 0.00 44.72 45.51 3lb0 s GLY 24 CO -0.11 1.88 1.48 1.70 0.00 0.00 0.00 173.10 178.05 3lb0 h LYS 25 N 8.15 0.47 -5.80 2.90 3.64 -1.92 -3.29 116.57 120.72 3lb0 h LYS 25 Ca -0.17 -0.18 -0.62 0.00 -1.27 0.00 0.00 60.65 58.41 3lb0 h LYS 25 Cb 1.12 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.78 3lb0 h LYS 25 CO 0.16 0.69 -0.62 0.95 -2.27 0.00 0.00 179.45 178.36 3lb0 s THR 26 N -4.80 2.15 0.23 1.00 -4.23 -1.26 -0.86 115.64 107.88 3lb0 s THR 26 Ca -0.14 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 58.26 3lb0 s THR 26 Cb 0.07 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.25 3lb0 s THR 26 CO 0.76 -0.08 1.87 -0.29 -0.54 0.00 0.00 174.62 176.34 3lb0 h ILE 27 N 1.83 1.11 -0.38 2.99 6.09 -1.96 -0.10 117.51 127.10 3lb0 h ILE 27 Ca -0.43 -0.36 0.04 0.00 -1.37 0.00 0.00 64.86 62.74 3lb0 h ILE 27 Cb 1.25 -0.02 -0.04 0.00 0.47 0.00 0.00 36.82 38.47 3lb0 h ILE 27 CO 0.76 0.19 0.14 0.74 -3.07 0.00 0.00 178.15 176.90 3lb0 h THR 28 N 1.04 0.89 -0.75 2.19 2.02 -1.99 -0.84 112.91 115.48 3lb0 h THR 28 Ca 0.35 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 3lb0 h THR 28 Cb 0.05 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3lb0 h THR 28 CO -0.13 0.05 0.25 0.44 0.37 0.00 0.00 175.52 176.51 3lb0 h ASP 29 N 0.29 1.08 -0.39 4.18 3.32 -1.77 -2.27 116.42 120.86 3lb0 h ASP 29 Ca 0.17 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3lb0 h ASP 29 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3lb0 h ASP 29 CO -0.17 0.98 0.16 0.58 -1.72 0.00 0.00 179.24 179.07 3lb0 h VAL 30 N 1.11 1.19 -0.27 -1.35 2.07 -0.51 -0.62 116.25 117.87 3lb0 h VAL 30 Ca 0.25 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3lb0 h VAL 30 Cb 0.28 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3lb0 h VAL 30 CO -0.01 0.21 0.13 0.11 0.02 0.00 0.00 177.57 178.03 3lb0 h LYS 31 N 0.49 0.39 -0.28 1.57 1.57 -1.04 -0.98 116.57 118.30 3lb0 h LYS 31 Ca 0.13 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3lb0 h LYS 31 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3lb0 h LYS 31 CO -0.01 0.39 -0.31 0.66 -0.57 0.00 0.00 179.45 179.60 3lb0 h SER 32 N 0.30 0.61 -0.76 0.86 4.64 -1.32 -2.52 113.55 115.37 3lb0 h SER 32 Ca 0.09 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 3lb0 h SER 32 Cb 0.13 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3lb0 h SER 32 CO -0.01 0.89 0.24 -0.33 -0.87 0.00 0.00 176.83 176.75 3lb0 h GLU 33 N 0.51 1.17 -0.80 4.77 4.39 -0.91 -2.03 114.58 121.67 3lb0 h GLU 33 Ca 0.06 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 3lb0 h GLU 33 Cb 0.79 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 3lb0 h GLU 33 CO 0.06 0.99 0.48 0.00 -1.16 0.00 0.00 179.01 179.39 3lb0 h ALA 34 N 1.13 1.03 -0.49 3.43 0.00 -0.97 -0.08 119.26 123.31 3lb0 h ALA 34 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3lb0 h ALA 34 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3lb0 h ALA 34 CO -0.01 0.49 0.11 -0.07 0.00 0.00 0.00 179.25 179.78 3lb0 h LEU 35 N 1.10 0.74 -0.81 0.00 3.38 -1.19 -1.28 115.31 117.25 3lb0 h LEU 35 Ca 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3lb0 h LEU 35 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3lb0 h LEU 35 CO -0.05 0.78 0.41 0.00 0.09 0.00 0.00 178.44 179.67 3lb0 h ALA 36 N 0.98 1.04 -0.01 1.53 0.00 -1.01 -2.76 119.26 119.03 3lb0 h ALA 36 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3lb0 h ALA 36 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3lb0 h ALA 36 CO 0.00 0.58 -0.30 1.88 0.00 0.00 0.00 179.25 181.41 3lb0 h TYR 37 N 1.13 0.02 -0.19 0.00 -1.99 -0.73 -2.66 116.97 112.55 3lb0 h TYR 37 Ca 0.28 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.06 3lb0 h TYR 37 Cb 0.08 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3lb0 h TYR 37 CO 0.01 0.32 0.14 -0.09 -0.00 0.00 0.00 178.16 178.54 3lb0 h ARG 38 N 0.02 0.01 0.00 4.88 9.65 -0.93 -0.54 114.38 127.48 3lb0 h ARG 38 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3lb0 h ARG 38 Cb 0.54 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3lb0 h ARG 38 CO 0.04 0.01 0.00 0.39 2.80 0.00 0.00 179.97 183.21 3lb0 n GLU 39 N -4.48 0.04 -3.77 0.20 -0.58 -1.00 -4.89 120.64 106.15 3lb0 n GLU 39 Ca 0.01 0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.62 3lb0 n GLU 39 Cb 0.26 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 3lb0 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lb0 s ALA 40 N -2.96 4.05 -0.72 0.62 0.00 -0.21 -5.08 121.76 117.46 3lb0 s ALA 40 Ca 0.13 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 3lb0 s ALA 40 Cb 0.16 -1.69 0.19 0.00 0.00 0.00 0.00 23.12 21.78 3lb0 s ALA 40 CO 0.45 0.13 0.66 0.34 0.00 0.00 0.00 175.76 177.34 3lb0 s ASP 41 N -4.06 6.51 0.23 0.00 2.15 -1.26 -5.02 116.67 115.21 3lb0 s ASP 41 Ca 0.39 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.96 3lb0 s ASP 41 Cb -0.09 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 3lb0 s ASP 41 CO 0.30 -0.65 0.12 0.72 -0.17 0.00 0.00 175.17 175.49 3lb0 s PHE 42 N 0.61 1.32 -0.16 -5.34 -0.12 -1.26 -4.83 117.98 108.20 3lb0 s PHE 42 Ca 0.13 -1.32 0.02 0.00 -0.05 0.00 0.00 56.93 55.72 3lb0 s PHE 42 Cb -0.17 -0.69 -0.11 0.00 -0.63 0.00 0.00 43.02 41.42 3lb0 s PHE 42 CO -0.05 -0.54 -0.12 -0.25 -0.05 0.00 0.00 175.22 174.21 3lb0 n ASP 43 N -0.39 2.61 -4.08 1.98 8.00 0.28 -4.97 116.55 119.98 3lb0 n ASP 43 Ca 0.01 -0.08 -0.23 0.00 0.71 0.00 0.00 54.79 55.20 3lb0 n ASP 43 Cb 0.66 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.33 1.14 -0.26 0.53 1.01 -0.68 -4.05 121.20 116.57 3lb0 s ILE 44 Ca -0.20 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 3lb0 s ILE 44 Cb 0.05 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3lb0 s ILE 44 CO 0.40 0.34 0.10 -0.22 0.00 0.00 0.00 174.94 175.55 3lb0 s LEU 45 N 0.04 3.58 -0.18 2.97 0.20 -0.58 -1.71 118.68 122.99 3lb0 s LEU 45 Ca -0.02 -0.18 -0.13 0.00 0.69 0.00 0.00 54.13 54.49 3lb0 s LEU 45 Cb -0.09 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.65 3lb0 s LEU 45 CO 0.01 -0.04 0.26 -0.70 -0.29 0.00 0.00 176.35 175.59 3lb0 s GLU 46 N 1.64 4.21 -0.37 1.98 2.12 0.88 -0.54 118.70 128.62 3lb0 s GLU 46 Ca 0.06 0.00 -0.15 0.00 0.36 0.00 0.00 54.97 55.24 3lb0 s GLU 46 Cb -0.15 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 3lb0 s GLU 46 CO 0.05 0.18 0.36 -0.46 -0.54 0.00 0.00 175.26 174.86 3lb0 s TRP 47 N 0.66 3.20 -0.98 5.30 -0.00 0.47 0.02 118.94 127.61 3lb0 s TRP 47 Ca 0.14 -0.19 -0.23 0.00 -0.00 0.00 0.00 56.10 55.82 3lb0 s TRP 47 Cb -0.13 -2.70 0.06 0.00 -0.00 0.00 0.00 33.47 30.70 3lb0 s TRP 47 CO 0.03 -0.51 1.38 1.03 -0.00 0.00 0.00 176.95 178.89 3lb0 s ARG 48 N 1.99 3.56 0.47 5.86 1.81 -0.42 -1.60 118.95 130.62 3lb0 s ARG 48 Ca 0.11 -1.16 0.25 0.00 -1.72 0.00 0.00 55.73 53.20 3lb0 s ARG 48 Cb -0.17 -5.21 1.16 0.00 -0.45 0.00 0.00 34.95 30.29 3lb0 s ARG 48 CO 0.12 -2.13 1.95 0.28 -0.68 0.00 0.00 175.30 174.83 3lb0 h VAL 49 N 6.59 0.63 0.00 3.52 2.07 -1.23 -1.89 116.25 125.95 3lb0 h VAL 49 Ca 0.16 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3lb0 h VAL 49 Cb 1.02 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3lb0 h VAL 49 CO 1.37 0.19 0.00 -2.24 0.02 0.00 0.00 177.57 176.91 3lb0 h ASP 50 N 0.00 0.00 0.89 0.57 2.03 -1.86 -1.06 116.42 116.98 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 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 3lb0 h ASP 50 CO 0.03 0.00 -0.11 1.41 -1.03 0.00 0.00 179.24 179.53 3lb0 n HIS 51 N -2.41 0.00 -3.04 4.15 8.25 -0.71 -3.98 115.22 117.48 3lb0 n HIS 51 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3lb0 n HIS 51 Cb 0.20 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 30.81 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 -3.00 3.36 0.31 4.41 5.36 -0.40 -3.70 117.98 124.31 3lb0 s PHE 52 Ca 0.13 1.00 -0.01 0.00 -0.96 0.00 0.00 56.93 57.10 3lb0 s PHE 52 Cb 0.19 -2.89 0.49 0.00 -0.34 0.00 0.00 43.02 40.47 3lb0 s PHE 52 CO 0.57 -0.25 1.95 0.00 -1.46 0.00 0.00 175.22 176.03 3lb0 h ALA 53 N 7.56 1.41 -0.86 11.12 0.00 -1.22 -3.09 119.26 134.18 3lb0 h ALA 53 Ca -0.29 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.99 3lb0 h ALA 53 Cb 1.13 -0.29 -0.25 0.00 0.00 0.00 0.00 17.79 18.38 3lb0 h ALA 53 CO 0.80 0.51 0.71 0.09 0.00 0.00 0.00 179.25 181.35 3lb0 n ASN 54 N -4.39 6.36 0.28 0.00 3.02 -1.26 -4.58 115.26 114.68 3lb0 n ASN 54 Ca 0.07 -3.54 0.16 0.00 -0.03 0.00 0.00 54.58 51.24 3lb0 n ASN 54 Cb 0.07 -0.94 0.82 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.96 0.35 -0.00 2.41 3.04 -1.86 -2.04 116.25 119.10 3lb0 h VAL 55 Ca 0.53 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 3lb0 h VAL 55 Cb 1.33 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3lb0 h VAL 55 CO 1.26 0.07 -0.07 0.35 -1.01 0.00 0.00 177.57 178.17 3lb0 n THR 56 N -3.43 0.00 -3.60 3.17 -2.24 -1.26 -4.62 114.28 102.30 3lb0 n THR 56 Ca -0.02 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 3lb0 n THR 56 Cb 0.21 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.44 4.32 0.26 4.28 2.01 -0.77 -4.98 115.64 118.32 3lb0 s THR 57 Ca 0.31 -1.29 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3lb0 s THR 57 Cb 0.20 -3.60 0.25 0.00 0.01 0.00 0.00 72.50 69.36 3lb0 s THR 57 CO 0.46 -0.46 1.70 0.00 -0.69 0.00 0.00 174.62 175.63 3lb0 h ALA 58 N 8.42 1.12 -0.69 7.40 0.00 -1.83 -1.14 119.26 132.53 3lb0 h ALA 58 Ca -0.24 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3lb0 h ALA 58 Cb 1.09 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3lb0 h ALA 58 CO 0.74 -0.30 0.27 1.49 0.00 0.00 0.00 179.25 181.45 3lb0 h GLU 59 N 0.35 1.02 -0.46 0.00 4.81 -1.93 -2.29 114.58 116.08 3lb0 h GLU 59 Ca 0.46 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3lb0 h GLU 59 Cb 0.79 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3lb0 h GLU 59 CO -0.49 0.83 -0.00 0.77 -0.73 0.00 0.00 179.01 179.39 3lb0 h SER 60 N 1.00 0.80 -0.45 1.04 0.02 -1.51 -1.06 113.55 113.38 3lb0 h SER 60 Ca 0.23 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3lb0 h SER 60 Cb 0.20 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3lb0 h SER 60 CO -0.02 0.91 0.21 0.58 -1.14 0.00 0.00 176.83 177.37 3lb0 h VAL 61 N 0.66 1.19 -0.75 2.27 2.07 -1.19 -1.82 116.25 118.68 3lb0 h VAL 61 Ca 0.13 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3lb0 h VAL 61 Cb 0.50 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3lb0 h VAL 61 CO 0.02 0.21 0.38 0.25 0.02 0.00 0.00 177.57 178.46 3lb0 h LEU 62 N 0.59 0.97 -0.30 2.57 5.85 -1.31 -0.78 115.31 122.89 3lb0 h LEU 62 Ca 0.15 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3lb0 h LEU 62 Cb 0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3lb0 h LEU 62 CO -0.02 0.81 0.20 -0.08 -0.34 0.00 0.00 178.44 179.01 3lb0 h GLU 63 N 1.05 0.40 -0.46 1.25 4.81 -1.00 -1.05 114.58 119.58 3lb0 h GLU 63 Ca 0.26 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3lb0 h GLU 63 Cb 0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3lb0 h GLU 63 CO -0.04 0.27 0.19 0.00 -0.73 0.00 0.00 179.01 178.70 3lb0 h ALA 64 N 1.10 0.59 -0.76 2.92 0.00 -1.07 -0.73 119.26 121.33 3lb0 h ALA 64 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lb0 h ALA 64 Cb -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3lb0 h ALA 64 CO -0.02 0.20 0.49 0.00 0.00 0.00 0.00 179.25 179.91 3lb0 h ALA 65 N 1.03 0.97 -0.64 0.00 0.00 -1.02 -1.78 119.26 117.83 3lb0 h ALA 65 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3lb0 h ALA 65 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3lb0 h ALA 65 CO -0.01 0.33 0.19 0.78 0.00 0.00 0.00 179.25 180.54 3lb0 h GLY 66 N 0.98 1.04 1.07 0.00 0.00 -0.80 -1.34 103.07 104.02 3lb0 h GLY 66 Ca 0.29 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3lb0 h GLY 66 CO -0.08 0.56 0.11 0.00 0.00 0.00 0.00 176.54 177.12 3lb0 h ALA 67 N 1.27 0.89 -0.13 3.60 0.00 -0.72 -1.34 119.26 122.83 3lb0 h ALA 67 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3lb0 h ALA 67 Cb 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3lb0 h ALA 67 CO -0.01 0.65 0.00 0.82 0.00 0.00 0.00 179.25 180.72 3lb0 h ILE 68 N 1.03 1.25 -0.44 0.00 2.04 -1.08 -3.08 117.51 117.24 3lb0 h ILE 68 Ca 0.20 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3lb0 h ILE 68 Cb 0.44 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3lb0 h ILE 68 CO 0.01 0.24 0.29 -0.09 0.00 0.00 0.00 178.15 178.61 3lb0 h ARG 69 N -0.03 0.38 -0.07 2.37 9.65 -1.03 0.93 114.38 126.57 3lb0 h ARG 69 Ca 0.04 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 3lb0 h ARG 69 Cb 0.36 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 3lb0 h ARG 69 CO 0.01 0.25 -0.42 1.49 2.80 0.00 0.00 179.97 184.10 3lb0 h GLU 70 N 0.39 0.16 0.05 0.20 4.81 -1.16 -3.28 114.58 115.75 3lb0 h GLU 70 Ca 0.19 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 3lb0 h GLU 70 Cb 0.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3lb0 h GLU 70 CO -0.05 0.56 -1.40 0.82 -0.73 0.00 0.00 179.01 178.22 3lb0 h ILE 71 N 0.13 0.92 -3.72 2.32 1.08 -1.27 -3.42 117.51 113.55 3lb0 h ILE 71 Ca 0.01 -2.27 -0.78 0.00 -0.39 0.00 0.00 64.86 61.43 3lb0 h ILE 71 Cb 0.81 2.45 -0.28 0.00 -3.07 0.00 0.00 36.82 36.73 3lb0 h ILE 71 CO 0.06 0.55 0.11 -0.63 -0.69 0.00 0.00 178.15 177.55 3lb0 s ILE 72 N -2.43 5.43 -0.33 -0.67 -1.09 0.24 -4.87 121.20 117.49 3lb0 s ILE 72 Ca -0.25 -2.81 0.23 0.00 -2.23 0.00 0.00 60.65 55.59 3lb0 s ILE 72 Cb 0.05 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3lb0 s ILE 72 CO 0.68 -1.05 1.03 0.35 -1.23 0.00 0.00 174.94 174.71 3lb0 n THR 73 N 3.55 0.46 0.00 2.92 -2.24 -1.24 -4.48 114.28 113.26 3lb0 n THR 73 Ca 0.16 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3lb0 n THR 73 Cb 0.44 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.46 1.54 -4.58 3.42 5.75 -1.26 -5.02 116.55 113.94 3lb0 n ASP 74 Ca 0.00 -1.53 -0.31 0.00 -0.01 0.00 0.00 54.79 52.95 3lb0 n ASP 74 Cb 0.52 -0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3lb0 n ASP 74 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3lb0 s LYS 75 N -0.53 2.30 0.47 0.11 -0.14 -1.26 -4.97 119.74 115.73 3lb0 s LYS 75 Ca 0.00 -0.90 -0.24 0.00 -1.36 0.00 0.00 55.97 53.47 3lb0 s LYS 75 Cb 0.00 -2.38 -0.07 0.00 -1.68 0.00 0.00 37.83 33.70 3lb0 s LYS 75 CO 0.00 0.55 1.35 -2.14 -0.76 0.00 0.00 175.35 174.35 3lb0 s PRO 76 N -1.88 3.57 -0.20 -1.68 0.02 -1.26 -4.87 135.00 128.70 3lb0 s PRO 76 Ca 0.20 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.42 3lb0 s PRO 76 Cb -0.11 -2.51 -0.01 0.00 0.02 0.00 0.00 34.50 31.89 3lb0 s PRO 76 CO 0.11 -0.85 -0.07 -1.17 -0.33 0.00 0.00 177.00 174.69 3lb0 s LEU 77 N -2.97 2.77 -0.23 -5.54 2.96 -1.26 -1.53 118.68 112.88 3lb0 s LEU 77 Ca 0.64 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 3lb0 s LEU 77 Cb -0.40 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3lb0 s LEU 77 CO 0.49 0.00 0.08 -0.22 -1.32 0.00 0.00 176.35 175.39 3lb0 s LEU 78 N 1.32 3.62 -0.36 -0.68 2.96 0.30 -1.13 118.68 124.71 3lb0 s LEU 78 Ca 0.04 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 3lb0 s LEU 78 Cb -0.14 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 3lb0 s LEU 78 CO -0.04 0.03 0.48 0.12 -1.32 0.00 0.00 176.35 175.62 3lb0 s PHE 79 N 1.26 3.18 -0.19 5.38 5.36 -0.15 -0.40 117.98 132.42 3lb0 s PHE 79 Ca 0.05 0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.10 3lb0 s PHE 79 Cb -0.14 -2.89 0.06 0.00 -0.34 0.00 0.00 43.02 39.70 3lb0 s PHE 79 CO 0.04 -0.54 -0.01 0.99 -1.46 0.00 0.00 175.22 174.24 3lb0 s THR 80 N 2.32 0.89 -0.46 0.12 2.01 -0.62 -1.32 115.64 118.57 3lb0 s THR 80 Ca 0.17 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 3lb0 s THR 80 Cb -0.16 -1.26 0.05 0.00 0.01 0.00 0.00 72.50 71.14 3lb0 s THR 80 CO 0.13 -0.10 0.45 0.12 -0.69 0.00 0.00 174.62 174.54 3lb0 s PHE 81 N 1.70 3.17 -0.20 4.92 5.36 -1.26 -0.75 117.98 130.92 3lb0 s PHE 81 Ca -0.02 -0.62 -0.29 0.00 -0.96 0.00 0.00 56.93 55.04 3lb0 s PHE 81 Cb -0.17 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.41 3lb0 s PHE 81 CO -0.07 -0.80 1.01 0.50 -1.46 0.00 0.00 175.22 174.40 3lb0 s ARG 82 N 2.04 4.29 0.74 10.12 6.06 -1.26 -4.92 118.95 136.02 3lb0 s ARG 82 Ca 0.09 1.33 -0.12 0.00 -2.50 0.00 0.00 55.73 54.53 3lb0 s ARG 82 Cb -0.20 -3.62 0.04 0.00 0.06 0.00 0.00 34.95 31.23 3lb0 s ARG 82 CO 0.10 -0.55 1.10 -1.54 -2.50 0.00 0.00 175.30 171.91 3lb0 s SER 83 N 1.19 4.65 0.17 -2.12 1.04 -1.26 -3.81 113.70 113.56 3lb0 s SER 83 Ca 0.44 1.88 -0.13 0.00 0.48 0.00 0.00 55.95 58.62 3lb0 s SER 83 Cb -0.16 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.51 3lb0 s SER 83 CO 0.09 -1.94 1.79 0.00 0.98 0.00 0.00 173.24 174.16 3lb0 h ALA 84 N -0.81 0.74 -0.93 5.32 0.00 -1.73 1.29 119.26 123.14 3lb0 h ALA 84 Ca -0.44 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.55 3lb0 h ALA 84 Cb 1.24 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 3lb0 h ALA 84 CO 0.52 0.26 0.52 -0.22 0.00 0.00 0.00 179.25 180.32 3lb0 h LYS 85 N 0.78 0.64 -0.91 0.00 3.64 -1.89 -1.93 116.57 116.90 3lb0 h LYS 85 Ca 0.20 -0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.98 3lb0 h LYS 85 Cb 0.04 -0.14 -0.29 0.00 -0.41 0.00 0.00 32.23 31.43 3lb0 h LYS 85 CO -0.03 0.42 0.57 0.39 -2.27 0.00 0.00 179.45 178.53 3lb0 n GLU 86 N -4.84 2.52 -0.01 1.90 1.02 -0.85 -4.89 120.64 115.49 3lb0 n GLU 86 Ca 0.21 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 3lb0 n GLU 86 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 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 0.26 3.62 0.62 0.00 -0.73 -4.75 105.19 103.20 3lb0 n GLY 87 Ca 0.57 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 3lb0 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lb0 n GLY 88 N -2.00 -0.37 0.08 -0.02 0.00 0.44 -4.92 105.19 98.40 3lb0 n GLY 88 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3lb0 n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lb0 n GLU 89 N -1.57 0.16 -3.99 1.61 -0.58 -1.26 -4.41 120.64 110.61 3lb0 n GLU 89 Ca 0.13 0.27 -0.10 0.00 -0.42 0.00 0.00 57.16 57.05 3lb0 n GLU 89 Cb 0.49 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.55 3lb0 n GLU 89 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3lb0 s GLN 90 N -3.16 1.23 -0.02 3.49 -2.07 -1.26 -4.99 119.66 112.89 3lb0 s GLN 90 Ca 0.08 -1.22 0.07 0.00 -1.82 0.00 0.00 55.36 52.46 3lb0 s GLN 90 Cb 0.12 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.40 3lb0 s GLN 90 CO 0.46 -0.46 -0.22 0.00 -1.32 0.00 0.00 175.29 173.75 3lb0 s ALA 91 N -3.99 2.37 0.11 2.60 0.00 -1.26 -2.81 121.76 118.78 3lb0 s ALA 91 Ca 0.20 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3lb0 s ALA 91 Cb 0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3lb0 s ALA 91 CO 0.03 0.54 -0.12 -0.51 0.00 0.00 0.00 175.76 175.70 3lb0 s LEU 92 N -0.80 2.40 0.77 0.00 1.43 -1.26 -5.01 118.68 116.22 3lb0 s LEU 92 Ca 0.11 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 3lb0 s LEU 92 Cb -0.10 -0.42 0.06 0.00 0.03 0.00 0.00 46.19 45.75 3lb0 s LEU 92 CO 0.00 -0.21 1.09 0.42 0.23 0.00 0.00 176.35 177.89 3lb0 s THR 93 N -2.30 3.33 0.23 5.49 -4.23 -1.26 -4.80 115.64 112.10 3lb0 s THR 93 Ca 0.07 0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 3lb0 s THR 93 Cb -0.04 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 71.06 3lb0 s THR 93 CO 0.01 -0.57 1.77 0.74 -0.54 0.00 0.00 174.62 176.04 3lb0 h THR 94 N -1.13 0.80 -0.65 3.99 2.02 -1.99 -0.86 112.91 115.10 3lb0 h THR 94 Ca -0.44 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3lb0 h THR 94 Cb 1.23 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3lb0 h THR 94 CO 0.52 0.10 0.15 1.23 0.37 0.00 0.00 175.52 177.89 3lb0 h GLY 95 N 0.57 1.10 0.96 2.16 0.00 -1.99 -0.60 103.07 105.28 3lb0 h GLY 95 Ca 0.37 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3lb0 h GLY 95 CO -0.30 0.63 0.09 1.46 0.00 0.00 0.00 176.54 178.42 3lb0 h GLN 96 N 0.98 0.76 -0.42 4.80 4.20 -1.77 -1.18 115.11 122.46 3lb0 h GLN 96 Ca 0.20 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3lb0 h GLN 96 Cb 0.36 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3lb0 h GLN 96 CO 0.00 0.76 0.25 -0.92 -0.67 0.00 0.00 178.83 178.26 3lb0 h TYR 97 N 0.63 0.56 -0.10 2.96 3.20 -0.74 0.58 116.97 124.06 3lb0 h TYR 97 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3lb0 h TYR 97 Cb 0.36 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3lb0 h TYR 97 CO 0.02 0.40 0.05 0.82 -1.64 0.00 0.00 178.16 177.81 3lb0 h ILE 98 N 0.56 1.12 -0.82 1.81 1.08 -1.05 -1.96 117.51 118.24 3lb0 h ILE 98 Ca 0.15 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3lb0 h ILE 98 Cb 0.01 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 3lb0 h ILE 98 CO -0.03 0.10 0.51 0.44 -0.69 0.00 0.00 178.15 178.49 3lb0 h ASP 99 N 0.03 0.97 -0.21 1.72 3.32 -1.07 -0.35 116.42 120.82 3lb0 h ASP 99 Ca 0.03 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3lb0 h ASP 99 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3lb0 h ASP 99 CO -0.00 0.73 0.07 0.25 -1.72 0.00 0.00 179.24 178.57 3lb0 h LEU 100 N 1.13 0.08 -0.84 1.55 5.85 -0.69 -0.23 115.31 122.17 3lb0 h LEU 100 Ca 0.30 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 3lb0 h LEU 100 Cb -0.08 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3lb0 h LEU 100 CO -0.06 0.08 -0.11 0.78 -0.34 0.00 0.00 178.44 178.79 3lb0 h ASN 101 N 0.17 0.74 -0.70 1.25 2.35 -0.91 -1.72 115.58 116.77 3lb0 h ASN 101 Ca 0.09 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 3lb0 h ASN 101 Cb 0.06 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3lb0 h ASN 101 CO -0.10 0.88 0.19 0.03 -1.65 0.00 0.00 177.43 176.78 3lb0 h ARG 102 N 0.69 1.10 -0.52 0.81 3.08 -0.84 -1.30 114.38 117.39 3lb0 h ARG 102 Ca 0.12 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3lb0 h ARG 102 Cb 0.58 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3lb0 h ARG 102 CO 0.04 0.96 0.03 0.00 -1.07 0.00 0.00 179.97 179.93 3lb0 h ALA 103 N 1.09 1.08 -0.50 0.04 0.00 -0.77 -0.61 119.26 119.58 3lb0 h ALA 103 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3lb0 h ALA 103 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3lb0 h ALA 103 CO -0.00 0.59 0.18 0.00 0.00 0.00 0.00 179.25 180.01 3lb0 h ALA 104 N 1.23 0.66 -0.19 0.00 0.00 -1.02 -1.65 119.26 118.28 3lb0 h ALA 104 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3lb0 h ALA 104 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3lb0 h ALA 104 CO 0.02 0.29 0.10 0.28 0.00 0.00 0.00 179.25 179.94 3lb0 h VAL 105 N 0.68 1.00 0.00 0.00 2.07 -0.83 -2.88 116.25 116.28 3lb0 h VAL 105 Ca 0.16 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3lb0 h VAL 105 Cb 0.24 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3lb0 h VAL 105 CO -0.01 0.04 -0.05 0.44 0.02 0.00 0.00 177.57 178.01 3lb0 h ASP 106 N 0.21 0.00 0.18 0.57 3.32 -0.97 -3.05 116.42 116.67 3lb0 h ASP 106 Ca 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3lb0 h ASP 106 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3lb0 h ASP 106 CO -0.05 0.05 -0.17 0.77 -1.72 0.00 0.00 179.24 178.12 3lb0 h SER 107 N 0.00 0.00 0.00 6.45 4.64 -1.07 -3.46 113.55 120.11 3lb0 h SER 107 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lb0 h SER 107 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3lb0 h SER 107 CO 0.01 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3lb0 n GLY 108 N -1.04 0.45 0.01 -0.77 0.00 -1.16 -4.88 105.19 97.81 3lb0 n GLY 108 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.77 -4.30 0.99 4.77 -1.26 -4.91 117.00 113.06 3lb0 n LEU 109 Ca 0.00 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 3lb0 n LEU 109 Cb 0.11 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 3lb0 n LEU 109 CO 0.00 0.18 -0.55 0.68 -1.33 0.00 0.00 177.39 176.36 3lb0 s VAL 110 N -3.07 1.96 -0.17 4.08 -7.23 -1.26 -4.87 120.40 109.83 3lb0 s VAL 110 Ca 0.06 -1.23 0.18 0.00 -1.81 0.00 0.00 61.98 59.19 3lb0 s VAL 110 Cb 0.16 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 3lb0 s VAL 110 CO 0.83 0.39 1.00 0.44 -0.31 0.00 0.00 175.10 177.45 3lb0 h ASP 111 N 5.05 0.00 -5.05 4.85 3.32 -1.47 -3.47 116.42 119.65 3lb0 h ASP 111 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 3lb0 h ASP 111 Cb 1.14 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.52 3lb0 h ASP 111 CO 0.45 0.38 -0.28 -0.04 -1.72 0.00 0.00 179.24 178.02 3lb0 s MET 112 N -3.07 0.76 0.15 3.56 -1.94 -0.96 -2.20 119.30 115.60 3lb0 s MET 112 Ca -0.01 -0.48 0.07 0.00 -1.71 0.00 0.00 55.69 53.56 3lb0 s MET 112 Cb 0.09 0.33 -0.04 0.00 2.01 0.00 0.00 34.83 37.21 3lb0 s MET 112 CO 0.79 -0.24 -0.17 0.96 -0.01 0.00 0.00 175.02 176.36 3lb0 s ILE 113 N -2.37 1.63 -0.20 2.53 -4.36 -0.42 -0.98 121.20 117.04 3lb0 s ILE 113 Ca -0.06 -1.84 -0.06 0.00 -0.26 0.00 0.00 60.65 58.42 3lb0 s ILE 113 Cb -0.02 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 3lb0 s ILE 113 CO -0.02 -0.36 0.02 -0.62 0.24 0.00 0.00 174.94 174.20 3lb0 s ASP 114 N -2.59 5.11 -0.06 4.36 -1.08 -0.43 -0.94 116.67 121.04 3lb0 s ASP 114 Ca 0.13 -0.11 0.05 0.00 -0.52 0.00 0.00 52.55 52.11 3lb0 s ASP 114 Cb -0.05 -1.88 -0.01 0.00 -1.46 0.00 0.00 42.92 39.53 3lb0 s ASP 114 CO 0.05 0.10 -0.22 -0.76 0.52 0.00 0.00 175.17 174.86 3lb0 s LEU 115 N 0.81 2.01 0.06 -1.34 1.43 -0.33 -4.64 118.68 116.68 3lb0 s LEU 115 Ca 0.02 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3lb0 s LEU 115 Cb -0.14 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3lb0 s LEU 115 CO 0.02 0.20 0.96 -1.61 0.23 0.00 0.00 176.35 176.15 3lb0 s GLU 116 N -0.01 4.64 0.28 1.70 2.02 -1.26 -0.88 118.70 125.20 3lb0 s GLU 116 Ca -0.06 1.43 0.03 0.00 0.02 0.00 0.00 54.97 56.38 3lb0 s GLU 116 Cb -0.14 -3.41 0.68 0.00 0.10 0.00 0.00 34.13 31.36 3lb0 s GLU 116 CO 0.04 0.11 1.72 1.25 0.02 0.00 0.00 175.26 178.40 3lb0 h LEU 117 N 6.07 0.45 -3.29 1.80 5.85 -1.05 -1.99 115.31 123.15 3lb0 h LEU 117 Ca -0.42 0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.23 3lb0 h LEU 117 Cb 1.21 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.20 3lb0 h LEU 117 CO 0.73 0.10 0.25 0.49 -0.34 0.00 0.00 178.44 179.66 3lb0 n PHE 118 N -4.96 2.02 -0.17 1.25 3.72 -1.26 -4.40 117.46 113.66 3lb0 n PHE 118 Ca 0.21 -1.04 -0.11 0.00 -0.05 0.00 0.00 57.45 56.46 3lb0 n PHE 118 Cb 0.58 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 2.05 1.27 0.00 4.37 2.02 -1.76 -3.47 112.91 117.39 3lb0 h THR 119 Ca 0.24 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3lb0 h THR 119 Cb 2.06 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 3lb0 h THR 119 CO 0.62 0.44 0.00 0.61 0.37 0.00 0.00 175.52 177.56 3lb0 n GLY 120 N -0.22 3.04 0.18 2.16 0.00 -1.26 -5.01 105.19 104.08 3lb0 n GLY 120 Ca 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.06 -0.60 1.61 5.19 -1.92 -0.12 116.42 120.52 3lb0 h ASP 121 Ca 0.00 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3lb0 h ASP 121 Cb 0.00 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 3lb0 h ASP 121 CO 0.00 0.00 0.26 0.44 -3.12 0.00 0.00 179.24 176.82 3lb0 h ASP 122 N 0.18 0.81 0.11 6.45 3.32 -1.99 -0.13 116.42 125.17 3lb0 h ASP 122 Ca 0.21 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 3lb0 h ASP 122 Cb 0.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3lb0 h ASP 122 CO -0.31 0.74 -0.50 -0.33 -1.72 0.00 0.00 179.24 177.12 3lb0 h GLU 123 N 0.82 0.44 -0.36 3.56 5.08 -1.90 -1.96 114.58 120.26 3lb0 h GLU 123 Ca 0.20 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3lb0 h GLU 123 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3lb0 h GLU 123 CO -0.02 0.84 -0.02 0.28 -1.00 0.00 0.00 179.01 179.09 3lb0 h VAL 124 N 0.35 1.27 -0.74 3.13 2.07 -0.76 -0.95 116.25 120.61 3lb0 h VAL 124 Ca 0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3lb0 h VAL 124 Cb 1.00 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3lb0 h VAL 124 CO 0.09 0.34 0.43 0.11 0.02 0.00 0.00 177.57 178.56 3lb0 h LYS 125 N 0.45 1.02 -0.77 1.57 1.57 -0.95 0.15 116.57 119.61 3lb0 h LYS 125 Ca 0.10 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3lb0 h LYS 125 Cb 0.50 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3lb0 h LYS 125 CO 0.02 0.74 0.29 0.00 -0.57 0.00 0.00 179.45 179.94 3lb0 h ALA 126 N 1.22 1.07 -0.03 3.86 0.00 -1.24 -1.77 119.26 122.37 3lb0 h ALA 126 Ca 0.26 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3lb0 h ALA 126 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.50 3lb0 h ALA 126 CO -0.05 0.66 -0.91 1.15 0.00 0.00 0.00 179.25 180.10 3lb0 h THR 127 N 1.12 1.36 -0.62 0.00 2.02 -0.57 -1.70 112.91 114.52 3lb0 h THR 127 Ca 0.26 -2.31 0.02 0.00 0.77 0.00 0.00 66.41 65.15 3lb0 h THR 127 Cb 0.23 2.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 3lb0 h THR 127 CO -0.02 0.70 0.39 0.58 0.37 0.00 0.00 175.52 177.54 3lb0 h VAL 128 N 0.31 1.10 -0.47 3.16 2.07 -0.63 0.86 116.25 122.64 3lb0 h VAL 128 Ca -0.08 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3lb0 h VAL 128 Cb 1.54 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3lb0 h VAL 128 CO 0.17 0.14 0.24 1.23 0.02 0.00 0.00 177.57 179.36 3lb0 h GLY 129 N 0.78 0.71 0.97 2.17 0.00 -1.19 -0.37 103.07 106.15 3lb0 h GLY 129 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3lb0 h GLY 129 CO -0.09 0.33 0.25 -1.82 0.00 0.00 0.00 176.54 175.21 3lb0 h TYR 130 N 0.61 0.66 -0.25 5.60 3.20 -1.06 0.40 116.97 126.14 3lb0 h TYR 130 Ca 0.16 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3lb0 h TYR 130 Cb 0.09 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3lb0 h TYR 130 CO -0.01 0.50 0.15 0.00 -1.64 0.00 0.00 178.16 177.16 3lb0 h ALA 131 N 1.10 0.31 -0.58 1.82 0.00 -0.50 -2.75 119.26 118.66 3lb0 h ALA 131 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3lb0 h ALA 131 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3lb0 h ALA 131 CO -0.03 -0.18 0.31 0.45 0.00 0.00 0.00 179.25 179.81 3lb0 h HIS 132 N 0.31 0.78 0.00 0.00 3.86 -0.69 0.42 115.15 119.82 3lb0 h HIS 132 Ca 0.09 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3lb0 h HIS 132 Cb 0.02 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 3lb0 h HIS 132 CO -0.05 0.55 -0.13 1.96 0.86 0.00 0.00 177.93 181.12 3lb0 h GLN 133 N 0.80 0.00 -0.49 2.45 4.20 -0.65 -1.71 115.11 119.71 3lb0 h GLN 133 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3lb0 h GLN 133 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3lb0 h GLN 133 CO -0.03 0.13 0.00 0.72 -0.67 0.00 0.00 178.83 178.98 3lb0 n HIS 134 N -4.17 1.46 -3.65 2.96 8.25 -0.56 -4.96 115.22 114.56 3lb0 n HIS 134 Ca -0.02 -0.72 -0.25 0.00 -0.26 0.00 0.00 57.72 56.46 3lb0 n HIS 134 Cb 0.21 -0.34 0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 0.42 -5.82 -4.36 0.41 3.02 -0.64 -4.90 115.26 103.38 3lb0 n ASN 135 Ca 0.24 -0.59 -0.33 0.00 -0.03 0.00 0.00 54.58 53.87 3lb0 n ASN 135 Cb 0.97 -4.82 -0.14 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.32 3.12 0.50 2.41 1.01 0.03 -4.22 120.40 119.93 3lb0 s VAL 136 Ca 0.57 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 3lb0 s VAL 136 Cb -0.26 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3lb0 s VAL 136 CO 0.75 0.51 0.88 0.00 0.00 0.00 0.00 175.10 177.24 3lb0 s ALA 137 N 0.53 3.25 -0.14 5.51 0.00 -0.94 -3.50 121.76 126.47 3lb0 s ALA 137 Ca -0.08 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3lb0 s ALA 137 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.14 3lb0 s ALA 137 CO 0.04 -0.31 -0.17 0.08 0.00 0.00 0.00 175.76 175.40 3lb0 s VAL 138 N -2.72 1.69 -0.19 0.00 1.01 -1.26 -1.30 120.40 117.63 3lb0 s VAL 138 Ca 0.52 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 3lb0 s VAL 138 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3lb0 s VAL 138 CO 0.41 0.48 0.39 -0.63 0.00 0.00 0.00 175.10 175.74 3lb0 s ILE 139 N 1.15 5.22 -0.11 2.22 1.01 -0.12 -0.94 121.20 129.63 3lb0 s ILE 139 Ca -0.02 0.70 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 3lb0 s ILE 139 Cb -0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3lb0 s ILE 139 CO -0.06 0.28 -0.01 -0.32 0.00 0.00 0.00 174.94 174.84 3lb0 s MET 140 N 1.10 3.21 0.15 2.79 1.75 -0.69 -1.19 119.30 126.42 3lb0 s MET 140 Ca 0.19 -0.44 0.08 0.00 -1.25 0.00 0.00 55.69 54.28 3lb0 s MET 140 Cb -0.14 -2.84 -0.04 0.00 2.84 0.00 0.00 34.83 34.64 3lb0 s MET 140 CO 0.07 0.56 -0.19 -1.12 -0.65 0.00 0.00 175.02 173.70 3lb0 s SER 141 N -0.49 2.60 -0.08 1.11 0.01 -0.06 -0.06 113.70 116.73 3lb0 s SER 141 Ca 0.08 -0.82 -0.09 0.00 1.31 0.00 0.00 55.95 56.44 3lb0 s SER 141 Cb -0.12 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 65.98 3lb0 s SER 141 CO 0.02 -0.02 0.24 0.21 0.41 0.00 0.00 173.24 174.10 3lb0 s ASN 142 N -2.48 -0.23 -0.00 2.44 3.84 -0.74 -0.35 114.94 117.41 3lb0 s ASN 142 Ca 0.13 0.43 0.03 0.00 0.21 0.00 0.00 52.86 53.66 3lb0 s ASN 142 Cb -0.07 0.47 -0.01 0.00 -0.55 0.00 0.00 41.25 41.09 3lb0 s ASN 142 CO 0.06 -0.11 -0.08 -1.00 -2.79 0.00 0.00 177.10 173.17 3lb0 s HIS 143 N -0.01 0.75 -0.27 0.43 3.76 -1.26 -1.40 115.29 117.30 3lb0 s HIS 143 Ca -0.01 -0.16 -0.00 0.00 -0.15 0.00 0.00 55.06 54.73 3lb0 s HIS 143 Cb -0.02 -0.48 0.08 0.00 1.11 0.00 0.00 32.58 33.27 3lb0 s HIS 143 CO 0.01 -0.01 0.04 0.34 -0.85 0.00 0.00 174.74 174.26 3lb0 s ASP 144 N -0.28 3.81 0.00 1.40 -1.08 -0.28 -5.00 116.67 115.25 3lb0 s ASP 144 Ca 0.03 -1.38 0.29 0.00 -0.52 0.00 0.00 52.55 50.97 3lb0 s ASP 144 Cb -0.04 -0.98 1.32 0.00 -1.46 0.00 0.00 42.92 41.77 3lb0 s ASP 144 CO -0.00 -0.34 1.91 0.49 0.52 0.00 0.00 175.17 177.75 3lb0 n PHE 145 N 4.78 0.00 -0.10 -5.34 3.72 -1.26 -1.03 117.46 118.23 3lb0 n PHE 145 Ca -0.06 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.20 3lb0 n PHE 145 Cb 0.44 -0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 38.75 3lb0 n PHE 145 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3lb0 n HIS 146 N -0.85 0.00 -4.00 1.38 -0.00 -1.26 -4.77 115.22 105.71 3lb0 n HIS 146 Ca 0.16 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.23 3lb0 n HIS 146 Cb 0.26 -0.77 -0.03 0.00 -0.12 0.00 0.00 29.99 29.33 3lb0 n HIS 146 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 3lb0 s LYS 147 N -2.40 1.85 -0.28 1.57 -2.85 -1.24 -4.77 119.74 111.61 3lb0 s LYS 147 Ca -0.27 -1.51 -0.04 0.00 -1.00 0.00 0.00 55.97 53.15 3lb0 s LYS 147 Cb 0.07 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.36 3lb0 s LYS 147 CO 0.45 -0.79 0.02 0.99 0.10 0.00 0.00 175.35 176.12 3lb0 s THR 148 N -3.26 3.38 0.99 3.79 2.01 -0.97 -2.81 115.64 118.78 3lb0 s THR 148 Ca 0.25 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 3lb0 s THR 148 Cb -0.01 -2.79 0.18 0.00 0.01 0.00 0.00 72.50 69.89 3lb0 s THR 148 CO 0.15 0.07 1.10 -2.84 -0.69 0.00 0.00 174.62 172.40 3lb0 s PRO 149 N 1.38 0.47 0.70 4.92 0.02 -1.26 -4.97 135.00 136.27 3lb0 s PRO 149 Ca -0.00 1.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.05 3lb0 s PRO 149 Cb -0.18 -1.69 0.01 0.00 0.02 0.00 0.00 34.50 32.67 3lb0 s PRO 149 CO -0.01 -2.89 1.17 0.00 -0.33 0.00 0.00 177.00 174.95 3lb0 n ALA 150 N -4.38 0.48 -0.21 -1.55 0.00 -1.26 -4.72 120.51 108.86 3lb0 n ALA 150 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.41 3lb0 n ALA 150 Cb 0.53 -2.24 0.12 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 -0.01 0.69 0.00 0.00 0.00 -1.93 0.21 119.26 118.22 3lb0 h ALA 151 Ca -0.49 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3lb0 h ALA 151 Cb 1.33 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3lb0 h ALA 151 CO 0.50 -0.37 -0.14 0.93 0.00 0.00 0.00 179.25 180.17 3lb0 h GLU 152 N 0.17 0.00 -0.17 0.00 4.39 -1.95 -0.71 114.58 116.31 3lb0 h GLU 152 Ca 0.34 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.84 3lb0 h GLU 152 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3lb0 h GLU 152 CO -0.50 0.14 -0.70 1.49 -1.16 0.00 0.00 179.01 178.27 3lb0 h GLU 153 N 0.00 0.72 -0.08 2.33 4.57 -1.34 -0.64 114.58 120.14 3lb0 h GLU 153 Ca -0.00 -0.55 -0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3lb0 h GLU 153 Cb 0.63 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3lb0 h GLU 153 CO 0.02 1.16 0.04 0.82 -1.18 0.00 0.00 179.01 179.87 3lb0 h ILE 154 N 0.51 1.09 -0.49 2.32 2.04 -0.66 -1.44 117.51 120.88 3lb0 h ILE 154 Ca -0.03 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3lb0 h ILE 154 Cb 1.31 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 3lb0 h ILE 154 CO 0.14 0.08 0.24 0.58 0.00 0.00 0.00 178.15 179.19 3lb0 h VAL 155 N 0.02 0.95 -0.77 1.67 2.07 -1.14 -1.74 116.25 117.32 3lb0 h VAL 155 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3lb0 h VAL 155 Cb 0.09 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3lb0 h VAL 155 CO -0.00 0.09 0.43 -0.61 0.02 0.00 0.00 177.57 177.49 3lb0 h GLN 156 N 0.48 1.06 -0.54 1.57 5.75 -0.83 0.06 115.11 122.65 3lb0 h GLN 156 Ca 0.22 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 3lb0 h GLN 156 Cb 0.13 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3lb0 h GLN 156 CO -0.16 0.77 0.18 0.00 -2.65 0.00 0.00 178.83 176.97 3lb0 h ARG 157 N 1.07 0.83 -0.78 1.69 3.08 -0.85 0.29 114.38 119.71 3lb0 h ARG 157 Ca 0.27 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3lb0 h ARG 157 Cb 0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3lb0 h ARG 157 CO -0.05 0.75 0.34 -0.07 -1.07 0.00 0.00 179.97 179.87 3lb0 h LEU 158 N 0.74 1.04 -0.61 3.04 3.38 -0.70 -1.59 115.31 120.61 3lb0 h LEU 158 Ca 0.18 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3lb0 h LEU 158 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3lb0 h LEU 158 CO -0.01 0.91 0.12 0.03 0.09 0.00 0.00 178.44 179.57 3lb0 h ARG 159 N 1.12 0.99 -0.80 1.13 3.08 -0.61 -2.29 114.38 116.99 3lb0 h ARG 159 Ca 0.26 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3lb0 h ARG 159 Cb 0.17 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3lb0 h ARG 159 CO -0.03 0.92 0.42 -0.22 -1.07 0.00 0.00 179.97 180.00 3lb0 h LYS 160 N 0.90 1.13 -0.89 0.04 1.63 -0.64 -1.39 116.57 117.36 3lb0 h LYS 160 Ca 0.19 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3lb0 h LYS 160 Cb 0.40 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 3lb0 h LYS 160 CO 0.01 0.85 0.46 0.52 -3.45 0.00 0.00 179.45 177.84 3lb0 h MET 161 N 1.12 1.25 -0.61 1.90 2.86 -0.98 -0.45 114.93 120.03 3lb0 h MET 161 Ca 0.28 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3lb0 h MET 161 Cb 0.06 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 3lb0 h MET 161 CO -0.04 0.93 0.35 1.96 1.06 0.00 0.00 176.91 181.17 3lb0 h GLN 162 N 1.25 0.84 0.00 1.72 4.20 -1.01 -1.11 115.11 120.99 3lb0 h GLN 162 Ca 0.31 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3lb0 h GLN 162 Cb 0.06 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3lb0 h GLN 162 CO -0.05 0.62 -0.23 0.93 -0.67 0.00 0.00 178.83 179.43 3lb0 h GLU 163 N 0.82 0.00 -0.00 1.46 5.08 -0.61 -0.97 114.58 120.36 3lb0 h GLU 163 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3lb0 h GLU 163 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3lb0 h GLU 163 CO -0.04 0.23 -0.02 1.28 -1.00 0.00 0.00 179.01 179.46 3lb0 n LEU 164 N -4.01 0.08 0.00 1.33 4.77 -0.24 -4.92 117.00 114.02 3lb0 n LEU 164 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3lb0 n LEU 164 Cb 0.31 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3lb0 n LEU 164 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3lb0 n GLY 165 N 1.28 0.95 3.71 -0.72 0.00 -0.37 -4.69 105.19 105.36 3lb0 n GLY 165 Ca 0.14 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.70 2.20 0.02 4.61 0.00 -0.44 -4.89 120.51 120.30 3lb0 n ALA 166 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.75 3lb0 n ALA 166 Cb 0.00 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.08 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 5.43 0.54 -2.89 0.00 3.32 -1.38 -3.42 116.42 118.02 3lb0 h ASP 167 Ca -0.45 -0.30 -0.54 0.00 0.02 0.00 0.00 57.03 55.76 3lb0 h ASP 167 Cb 1.23 -0.16 -0.40 0.00 0.22 0.00 0.00 39.33 40.22 3lb0 h ASP 167 CO 0.85 1.00 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.97 3lb0 s ILE 168 N -3.91 0.17 0.34 0.35 1.01 -0.88 -4.33 121.20 113.96 3lb0 s ILE 168 Ca -0.07 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 3lb0 s ILE 168 Cb 0.11 -1.14 -0.11 0.00 0.01 0.00 0.00 42.46 41.34 3lb0 s ILE 168 CO 0.83 -0.70 1.39 -2.84 0.00 0.00 0.00 174.94 173.62 3lb0 s PRO 169 N 1.98 4.25 -0.02 2.79 0.02 -1.24 -1.71 135.00 141.08 3lb0 s PRO 169 Ca 0.09 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.47 3lb0 s PRO 169 Cb -0.16 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.34 3lb0 s PRO 169 CO -0.33 -0.34 -0.01 0.21 -0.33 0.00 0.00 177.00 176.19 3lb0 s LYS 170 N -1.73 0.33 -0.01 5.54 2.20 0.92 -0.85 119.74 126.14 3lb0 s LYS 170 Ca 0.52 -0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 56.12 3lb0 s LYS 170 Cb -0.43 -0.43 0.01 0.00 -1.51 0.00 0.00 37.83 35.48 3lb0 s LYS 170 CO 0.56 -0.06 0.02 -1.50 -0.36 0.00 0.00 175.35 174.01 3lb0 s ILE 171 N 0.64 -0.02 -0.07 5.43 2.07 -0.32 -1.80 121.20 127.12 3lb0 s ILE 171 Ca -0.06 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 3lb0 s ILE 171 Cb -0.10 -0.05 0.01 0.00 0.13 0.00 0.00 42.46 42.46 3lb0 s ILE 171 CO -0.01 0.03 -0.13 0.00 -1.91 0.00 0.00 174.94 172.92 3lb0 s ALA 172 N 0.38 1.37 0.12 1.50 0.00 -0.49 -1.76 121.76 122.89 3lb0 s ALA 172 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3lb0 s ALA 172 Cb -0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3lb0 s ALA 172 CO -0.01 0.09 -0.09 0.14 0.00 0.00 0.00 175.76 175.89 3lb0 s VAL 173 N 0.70 0.98 -0.22 0.00 -7.23 -0.64 -1.12 120.40 112.88 3lb0 s VAL 173 Ca -0.14 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 3lb0 s VAL 173 Cb -0.16 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 3lb0 s VAL 173 CO 0.03 -0.73 0.02 -0.32 -0.31 0.00 0.00 175.10 173.80 3lb0 s MET 174 N -3.51 3.60 0.30 4.82 1.75 -0.19 -0.30 119.30 125.78 3lb0 s MET 174 Ca 0.12 -0.52 -0.27 0.00 -1.25 0.00 0.00 55.69 53.78 3lb0 s MET 174 Cb 0.02 -3.16 -0.10 0.00 2.84 0.00 0.00 34.83 34.43 3lb0 s MET 174 CO -0.01 -0.09 0.95 -1.25 -0.65 0.00 0.00 175.02 173.97 3lb0 s PRO 175 N 1.30 4.64 0.00 4.11 0.04 -1.26 -2.29 135.00 141.54 3lb0 s PRO 175 Ca 0.04 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.57 3lb0 s PRO 175 Cb -0.15 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 3lb0 s PRO 175 CO 0.02 0.32 0.54 1.04 0.04 0.00 0.00 177.00 178.96 3lb0 n GLN 176 N 0.78 2.83 -4.00 4.56 6.02 -1.26 -4.98 117.38 121.33 3lb0 n GLN 176 Ca 0.01 -0.33 -0.10 0.00 -0.01 0.00 0.00 57.00 56.57 3lb0 n GLN 176 Cb 0.49 -1.04 -0.06 0.00 1.02 0.00 0.00 30.24 30.65 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 -1.66 0.02 0.26 5.09 -4.23 -1.26 -5.04 115.64 108.83 3lb0 s THR 177 Ca 0.06 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 3lb0 s THR 177 Cb 0.08 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.85 3lb0 s THR 177 CO 0.33 -0.08 1.68 0.11 -0.54 0.00 0.00 174.62 176.12 3lb0 h LYS 178 N 2.38 0.49 -0.54 3.99 1.57 -1.96 -2.57 116.57 119.92 3lb0 h LYS 178 Ca -0.29 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 3lb0 h LYS 178 Cb 1.25 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 3lb0 h LYS 178 CO 0.41 0.74 0.36 0.00 -0.57 0.00 0.00 179.45 180.40 3lb0 h ALA 179 N 1.25 1.74 -0.23 3.86 0.00 -2.00 -1.86 119.26 122.02 3lb0 h ALA 179 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3lb0 h ALA 179 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3lb0 h ALA 179 CO 0.06 0.19 0.09 -0.44 0.00 0.00 0.00 179.25 179.15 3lb0 h ASP 180 N 0.61 0.29 -0.19 0.00 3.32 -1.86 -0.08 116.42 118.51 3lb0 h ASP 180 Ca 0.22 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3lb0 h ASP 180 Cb 0.11 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3lb0 h ASP 180 CO -0.06 0.27 0.06 0.58 -1.72 0.00 0.00 179.24 178.37 3lb0 h VAL 181 N 0.33 1.19 -0.39 -1.35 2.07 -1.39 -2.26 116.25 114.45 3lb0 h VAL 181 Ca 0.08 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3lb0 h VAL 181 Cb 0.08 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3lb0 h VAL 181 CO -0.01 0.19 0.11 -0.07 0.02 0.00 0.00 177.57 177.80 3lb0 h LEU 182 N 0.13 0.51 -0.48 2.57 3.38 -1.28 -2.06 115.31 118.08 3lb0 h LEU 182 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lb0 h LEU 182 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3lb0 h LEU 182 CO -0.00 0.51 0.31 0.74 0.09 0.00 0.00 178.44 180.09 3lb0 h THR 183 N 0.55 1.13 -0.60 0.22 2.02 -0.72 0.13 112.91 115.64 3lb0 h THR 183 Ca 0.13 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3lb0 h THR 183 Cb 0.19 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3lb0 h THR 183 CO -0.01 0.12 0.28 0.25 0.37 0.00 0.00 175.52 176.54 3lb0 h LEU 184 N 0.65 0.80 -0.82 2.58 7.12 -0.98 -1.33 115.31 123.34 3lb0 h LEU 184 Ca 0.18 -0.14 -0.09 0.00 0.13 0.00 0.00 57.88 57.96 3lb0 h LEU 184 Cb -0.06 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 39.84 3lb0 h LEU 184 CO -0.04 0.72 -0.07 -0.07 -0.13 0.00 0.00 178.44 178.85 3lb0 h LEU 185 N 0.83 0.79 -0.38 2.25 3.38 -1.02 -1.26 115.31 119.90 3lb0 h LEU 185 Ca 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3lb0 h LEU 185 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3lb0 h LEU 185 CO -0.02 0.90 0.19 0.74 0.09 0.00 0.00 178.44 180.33 3lb0 h THR 186 N 0.74 1.16 -0.75 0.22 2.02 -0.41 -1.55 112.91 114.33 3lb0 h THR 186 Ca 0.13 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3lb0 h THR 186 Cb 0.55 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3lb0 h THR 186 CO 0.03 0.17 0.42 0.00 0.37 0.00 0.00 175.52 176.51 3lb0 h ALA 187 N 1.04 1.32 0.07 6.16 0.00 -1.02 -0.20 119.26 126.64 3lb0 h ALA 187 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lb0 h ALA 187 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3lb0 h ALA 187 CO -0.02 0.56 -0.03 1.15 0.00 0.00 0.00 179.25 180.91 3lb0 h THR 188 N 1.05 0.99 -0.02 0.00 2.02 -0.75 -0.18 112.91 116.01 3lb0 h THR 188 Ca 0.27 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3lb0 h THR 188 Cb 0.02 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3lb0 h THR 188 CO -0.04 0.06 0.01 0.58 0.37 0.00 0.00 175.52 176.49 3lb0 h VAL 189 N -0.20 0.99 -0.37 3.16 2.07 -1.05 -0.10 116.25 120.76 3lb0 h VAL 189 Ca -0.01 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3lb0 h VAL 189 Cb 0.17 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3lb0 h VAL 189 CO 0.02 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.49 3lb0 h GLU 190 N 0.02 0.51 0.13 1.57 5.08 -0.93 -0.38 114.58 120.58 3lb0 h GLU 190 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3lb0 h GLU 190 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3lb0 h GLU 190 CO -0.01 0.40 -0.06 1.98 -1.00 0.00 0.00 179.01 180.32 3lb0 h MET 191 N 0.47 -0.16 -0.70 2.33 4.05 -0.94 -1.45 114.93 118.54 3lb0 h MET 191 Ca 0.13 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 3lb0 h MET 191 Cb 0.04 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3lb0 h MET 191 CO -0.02 -0.07 0.19 0.37 0.23 0.00 0.00 176.91 177.61 3lb0 h GLN 192 N -0.21 1.10 0.11 0.39 -0.00 -0.86 0.55 115.11 116.19 3lb0 h GLN 192 Ca -0.02 -0.25 -0.26 0.00 -0.00 0.00 0.00 58.65 58.12 3lb0 h GLN 192 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.49 3lb0 h GLN 192 CO 0.03 0.95 -1.21 0.93 0.00 0.00 0.00 178.83 179.53 3lb0 h GLU 193 N 1.05 0.22 0.00 1.69 5.08 -1.05 -3.37 114.58 118.20 3lb0 h GLU 193 Ca 0.22 -0.38 -0.29 0.00 -1.00 0.00 0.00 59.36 57.91 3lb0 h GLU 193 Cb 0.34 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3lb0 h GLU 193 CO -0.00 1.18 -2.11 0.54 -1.00 0.00 0.00 179.01 177.62 3lb0 n ARG 194 N -3.50 1.11 0.00 2.33 1.74 -0.55 -4.86 116.66 112.94 3lb0 n ARG 194 Ca -0.07 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3lb0 n ARG 194 Cb 1.01 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 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 -2.76 0.00 -2.29 -1.55 4.01 -0.59 -5.05 117.16 108.93 3lb0 n TYR 195 Ca -0.29 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.04 3lb0 n TYR 195 Cb 0.97 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.75 3.46 -0.14 -0.72 0.00 0.08 -4.91 121.76 117.78 3lb0 s ALA 196 Ca 0.00 1.08 0.15 0.00 0.00 0.00 0.00 51.96 53.19 3lb0 s ALA 196 Cb 0.00 -3.41 0.38 0.00 0.00 0.00 0.00 23.12 20.09 3lb0 s ALA 196 CO 0.00 -0.41 1.19 -0.40 0.00 0.00 0.00 175.76 176.13 3lb0 n ASP 197 N 1.16 1.54 -3.74 0.00 5.75 -1.26 -4.93 116.55 115.07 3lb0 n ASP 197 Ca 0.00 -3.24 -0.07 0.00 -0.01 0.00 0.00 54.79 51.47 3lb0 n ASP 197 Cb 0.43 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.25 1.47 0.55 0.11 1.70 -1.26 -4.28 118.95 114.98 3lb0 s ARG 198 Ca 0.34 -0.76 -0.19 0.00 -0.47 0.00 0.00 55.73 54.64 3lb0 s ARG 198 Cb 0.34 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 35.20 3lb0 s ARG 198 CO -0.07 -0.67 1.15 -2.14 -1.08 0.00 0.00 175.30 172.49 3lb0 s PRO 199 N -3.65 3.30 0.17 3.89 0.02 -1.17 -4.89 135.00 132.68 3lb0 s PRO 199 Ca 0.09 1.66 0.08 0.00 0.02 0.00 0.00 61.00 62.86 3lb0 s PRO 199 Cb -0.04 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 3lb0 s PRO 199 CO 0.01 -0.90 -0.18 0.96 -0.33 0.00 0.00 177.00 176.56 3lb0 s ILE 200 N -1.73 1.83 -0.12 2.83 -4.36 -1.26 -3.60 121.20 114.79 3lb0 s ILE 200 Ca 0.73 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.17 3lb0 s ILE 200 Cb -0.25 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.59 3lb0 s ILE 200 CO 0.28 -0.36 -0.16 -0.63 0.24 0.00 0.00 174.94 174.32 3lb0 s ILE 201 N -2.18 1.56 0.08 8.37 1.01 -0.03 -0.42 121.20 129.59 3lb0 s ILE 201 Ca 0.17 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3lb0 s ILE 201 Cb -0.05 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3lb0 s ILE 201 CO 0.07 0.45 -0.08 0.42 0.00 0.00 0.00 174.94 175.80 3lb0 s THR 202 N 1.02 0.71 -0.15 2.92 -4.23 -1.26 -1.17 115.64 113.47 3lb0 s THR 202 Ca -0.05 -1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 58.63 3lb0 s THR 202 Cb -0.15 -1.21 0.09 0.00 1.34 0.00 0.00 72.50 72.57 3lb0 s THR 202 CO -0.03 -0.60 0.79 0.00 -0.54 0.00 0.00 174.62 174.24 3lb0 s MET 203 N -2.72 0.85 -0.22 3.99 0.23 -0.72 -4.81 119.30 115.90 3lb0 s MET 203 Ca 0.02 0.47 -0.06 0.00 -1.03 0.00 0.00 55.69 55.09 3lb0 s MET 203 Cb -0.03 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 3lb0 s MET 203 CO -0.02 -0.21 0.02 0.45 -2.03 0.00 0.00 175.02 173.23 3lb0 s SER 204 N -0.60 4.90 0.98 -1.18 0.15 -1.26 -1.61 113.70 115.07 3lb0 s SER 204 Ca -0.05 -0.22 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 3lb0 s SER 204 Cb -0.02 -1.86 0.20 0.00 -1.71 0.00 0.00 66.02 62.63 3lb0 s SER 204 CO 0.04 0.02 1.26 -0.04 1.20 0.00 0.00 173.24 175.73 3lb0 s MET 205 N 1.28 0.49 0.19 5.44 1.00 0.59 -4.25 119.30 124.04 3lb0 s MET 205 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 55.69 55.47 3lb0 s MET 205 Cb -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 34.83 32.87 3lb0 s MET 205 CO 0.02 -2.54 0.00 -1.13 0.00 0.00 0.00 175.02 171.37 3lb0 n SER 206 N -3.89 -2.90 -0.11 3.03 3.41 -0.34 -2.99 113.62 109.85 3lb0 n SER 206 Ca 0.14 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.27 3lb0 n SER 206 Cb 0.60 -1.66 0.46 0.00 -0.26 0.00 0.00 64.21 63.34 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 -0.49 0.49 -0.36 4.33 1.57 -1.88 -1.24 116.57 119.00 3lb0 h LYS 207 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3lb0 h LYS 207 Cb 0.47 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3lb0 h LYS 207 CO 0.02 0.33 0.18 1.15 -0.57 0.00 0.00 179.45 180.56 3lb0 h THR 208 N 0.51 1.13 -0.53 -0.16 2.02 -1.95 -2.65 112.91 111.28 3lb0 h THR 208 Ca 0.28 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3lb0 h THR 208 Cb 0.45 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3lb0 h THR 208 CO -0.09 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3lb0 n GLY 209 N -1.31 1.60 0.41 2.16 0.00 -0.48 -4.57 105.19 103.00 3lb0 n GLY 209 Ca 0.02 -0.62 0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 3.41 0.59 -0.10 1.61 2.07 -1.30 -0.06 116.25 122.47 3lb0 h VAL 210 Ca 0.00 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3lb0 h VAL 210 Cb 0.78 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3lb0 h VAL 210 CO 0.00 0.07 0.11 -0.29 0.02 0.00 0.00 177.57 177.48 3lb0 h ILE 211 N 0.39 0.52 0.00 4.57 6.09 -1.84 0.22 117.51 127.46 3lb0 h ILE 211 Ca 0.54 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.03 3lb0 h ILE 211 Cb 1.39 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.59 3lb0 h ILE 211 CO -0.23 0.00 0.00 0.77 -3.07 0.00 0.00 178.15 175.62 3lb0 h SER 212 N 0.00 0.00 1.30 2.19 4.64 -1.30 -1.56 113.55 118.82 3lb0 h SER 212 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 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 -0.00 0.00 -0.39 0.03 -0.87 0.00 0.00 176.83 175.60 3lb0 h ARG 213 N 0.00 0.00 0.00 4.77 3.08 -1.08 -3.39 114.38 117.76 3lb0 h ARG 213 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3lb0 h ARG 213 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 3lb0 h ARG 213 CO 0.00 0.00 -2.11 1.28 -1.07 0.00 0.00 179.97 178.07 3lb0 n LEU 214 N -2.48 0.44 -1.99 3.04 4.77 -0.72 -4.67 117.00 115.39 3lb0 n LEU 214 Ca 0.03 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 3lb0 n LEU 214 Cb 0.48 0.23 0.20 0.00 -2.33 0.00 0.00 43.42 42.00 3lb0 n LEU 214 CO 0.35 0.46 1.10 0.00 -1.33 0.00 0.00 177.39 177.97 3lb0 n ALA 215 N -2.67 4.86 0.24 -1.18 0.00 -0.67 -4.61 120.51 116.49 3lb0 n ALA 215 Ca -0.27 -2.32 0.07 0.00 0.00 0.00 0.00 53.44 50.91 3lb0 n ALA 215 Cb 1.00 -1.33 0.58 0.00 0.00 0.00 0.00 19.45 19.70 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 2.04 0.00 0.92 0.00 0.00 -1.78 -2.36 103.07 101.88 3lb0 h GLY 216 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 3lb0 h GLY 216 CO 0.84 0.00 0.02 -2.09 0.00 0.00 0.00 176.54 175.31 3lb0 h GLU 217 N 0.00 0.62 0.08 4.80 4.81 -1.82 0.42 114.58 123.49 3lb0 h GLU 217 Ca -0.00 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.82 3lb0 h GLU 217 Cb 0.22 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.56 3lb0 h GLU 217 CO 0.02 0.72 -0.90 -0.24 -0.73 0.00 0.00 179.01 177.87 3lb0 h VAL 218 N 0.44 1.40 0.00 0.32 3.04 -1.91 -3.37 116.25 116.17 3lb0 h VAL 218 Ca 0.10 -2.35 -0.01 0.00 -1.01 0.00 0.00 66.70 63.44 3lb0 h VAL 218 Cb 0.42 2.80 -0.00 0.00 -2.01 0.00 0.00 31.29 32.50 3lb0 h VAL 218 CO 0.01 0.69 -0.62 -0.26 -1.01 0.00 0.00 177.57 176.38 3lb0 h PHE 219 N -0.03 0.00 0.00 3.17 0.04 -1.45 -3.49 116.94 115.18 3lb0 h PHE 219 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 3lb0 h PHE 219 Cb 1.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.78 3lb0 h PHE 219 CO 0.15 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.30 3lb0 n GLY 220 N 1.16 1.69 3.72 -1.45 0.00 0.06 -3.45 105.19 106.92 3lb0 n GLY 220 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 6.24 0.16 1.61 0.15 -0.71 -4.52 113.70 114.62 3lb0 s SER 221 Ca 0.00 0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.16 3lb0 s SER 221 Cb 0.00 -2.11 0.45 0.00 -1.71 0.00 0.00 66.02 62.65 3lb0 s SER 221 CO 0.00 0.15 1.43 0.00 1.20 0.00 0.00 173.24 176.02 3lb0 h ALA 222 N 6.78 0.70 -2.78 5.45 0.00 -1.01 -3.38 119.26 125.02 3lb0 h ALA 222 Ca -0.41 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3lb0 h ALA 222 Cb 1.15 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 3lb0 h ALA 222 CO 0.75 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.91 3lb0 s ALA 223 N -3.16 -0.74 0.03 0.00 0.00 -1.26 -1.37 121.76 115.26 3lb0 s ALA 223 Ca 0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 3lb0 s ALA 223 Cb 0.13 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.05 3lb0 s ALA 223 CO 0.69 -0.71 0.29 -0.08 0.00 0.00 0.00 175.76 175.95 3lb0 s THR 224 N -3.87 0.08 -0.13 0.00 -1.32 0.22 -4.59 115.64 106.03 3lb0 s THR 224 Ca 0.08 -0.68 -0.06 0.00 -1.21 0.00 0.00 61.69 59.83 3lb0 s THR 224 Cb 0.01 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 3lb0 s THR 224 CO -0.06 -0.37 0.08 -0.36 -2.21 0.00 0.00 174.62 171.70 3lb0 s PHE 225 N -2.32 3.37 0.17 9.09 0.40 -1.26 -0.34 117.98 127.09 3lb0 s PHE 225 Ca -0.07 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.62 3lb0 s PHE 225 Cb -0.02 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 3lb0 s PHE 225 CO -0.02 0.48 -0.12 0.20 0.70 0.00 0.00 175.22 176.46 3lb0 s GLY 226 N -0.53 1.19 -0.14 4.36 0.00 -0.54 -4.45 107.32 107.20 3lb0 s GLY 226 Ca 0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 3lb0 s GLY 226 CO 0.02 -1.65 0.03 0.00 0.00 0.00 0.00 173.10 171.50 3lb0 s ALA 227 N -3.21 3.32 -0.09 3.20 0.00 -0.03 -4.46 121.76 120.49 3lb0 s ALA 227 Ca 0.19 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 3lb0 s ALA 227 Cb 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3lb0 s ALA 227 CO 0.03 0.37 0.17 0.28 0.00 0.00 0.00 175.76 176.60 3lb0 h VAL 228 N 4.60 0.15 0.00 0.00 2.07 -1.93 -1.88 116.25 119.26 3lb0 h VAL 228 Ca -0.42 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3lb0 h VAL 228 Cb 1.19 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3lb0 h VAL 228 CO 0.62 0.05 -0.90 1.17 0.02 0.00 0.00 177.57 178.53 3lb0 n LYS 229 N -4.82 0.00 -4.58 1.57 4.81 -1.26 -4.85 118.16 109.02 3lb0 n LYS 229 Ca -0.02 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.20 3lb0 n LYS 229 Cb 0.07 -0.69 -0.15 0.00 0.02 0.00 0.00 35.03 34.28 3lb0 n LYS 229 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3lb0 s LYS 230 N -1.95 1.10 0.35 1.64 2.20 -1.26 -5.12 119.74 116.70 3lb0 s LYS 230 Ca 0.00 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 54.88 3lb0 s LYS 230 Cb 0.00 -1.05 -0.10 0.00 -1.51 0.00 0.00 37.83 35.18 3lb0 s LYS 230 CO 0.00 0.25 1.26 0.00 -0.36 0.00 0.00 175.35 176.51 3lb0 s ALA 231 N -0.21 3.39 -1.29 3.13 0.00 -1.26 -4.79 121.76 120.74 3lb0 s ALA 231 Ca 0.03 1.17 0.26 0.00 0.00 0.00 0.00 51.96 53.43 3lb0 s ALA 231 Cb -0.06 -3.45 0.73 0.00 0.00 0.00 0.00 23.12 20.34 3lb0 s ALA 231 CO -0.00 -0.61 1.56 -1.13 0.00 0.00 0.00 175.76 175.58 3lb0 n SER 232 N 0.60 0.59 -3.53 0.00 3.41 -1.26 -4.90 113.62 108.52 3lb0 n SER 232 Ca 0.01 -0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.10 3lb0 n SER 232 Cb 0.43 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 3lb0 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lb0 s ALA 233 N -2.80 -1.83 0.24 7.33 0.00 -1.26 -5.15 121.76 118.29 3lb0 s ALA 233 Ca 0.17 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 3lb0 s ALA 233 Cb 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 23.12 23.04 3lb0 s ALA 233 CO 0.61 -0.44 1.61 -2.30 0.00 0.00 0.00 175.76 175.24 3lb0 n PRO 234 N 0.51 2.58 0.00 0.00 -0.02 -1.26 -3.35 135.00 133.46 3lb0 n PRO 234 Ca -0.13 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3lb0 n PRO 234 Cb 0.59 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3lb0 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lb0 n GLY 235 N 2.90 1.88 3.74 -1.23 0.00 -1.26 -1.19 105.19 110.01 3lb0 n GLY 235 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3lb0 n GLY 235 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lb0 s GLN 236 N -0.79 4.29 0.56 1.61 -0.21 -1.21 -4.80 119.66 119.09 3lb0 s GLN 236 Ca 0.00 2.24 0.06 0.00 0.02 0.00 0.00 55.36 57.69 3lb0 s GLN 236 Cb 0.00 -3.15 0.05 0.00 1.00 0.00 0.00 33.01 30.91 3lb0 s GLN 236 CO 0.00 -0.43 0.50 0.96 -2.12 0.00 0.00 175.29 174.21 3lb0 s ILE 237 N 0.35 1.74 0.52 1.08 -4.36 -1.26 -4.72 121.20 114.55 3lb0 s ILE 237 Ca 0.61 -1.37 -0.22 0.00 -0.26 0.00 0.00 60.65 59.42 3lb0 s ILE 237 Cb -0.41 -2.11 -0.06 0.00 1.25 0.00 0.00 42.46 41.13 3lb0 s ILE 237 CO 0.39 0.00 1.24 -0.94 0.24 0.00 0.00 174.94 175.87 3lb0 s SER 238 N -4.39 5.66 0.31 4.36 1.04 -1.26 -0.85 113.70 118.58 3lb0 s SER 238 Ca 0.41 2.49 0.02 0.00 0.48 0.00 0.00 55.95 59.34 3lb0 s SER 238 Cb -0.03 -2.61 0.57 0.00 0.10 0.00 0.00 66.02 64.05 3lb0 s SER 238 CO 0.25 -1.28 1.93 0.58 0.98 0.00 0.00 173.24 175.70 3lb0 h VAL 239 N 1.53 1.07 0.07 5.02 2.07 -1.64 0.71 116.25 125.08 3lb0 h VAL 239 Ca -0.50 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3lb0 h VAL 239 Cb 1.28 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3lb0 h VAL 239 CO 0.58 0.18 -0.03 0.00 0.02 0.00 0.00 177.57 178.32 3lb0 h ALA 240 N 1.53 -0.09 -0.45 1.67 0.00 -1.88 -0.62 119.26 119.42 3lb0 h ALA 240 Ca 0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3lb0 h ALA 240 Cb 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3lb0 h ALA 240 CO -0.13 -0.54 -0.02 -0.44 0.00 0.00 0.00 179.25 178.12 3lb0 h ASP 241 N -0.12 0.72 -0.06 0.00 3.32 -1.78 -2.07 116.42 116.44 3lb0 h ASP 241 Ca -0.01 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3lb0 h ASP 241 Cb 0.10 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3lb0 h ASP 241 CO 0.02 0.80 0.03 0.25 -1.72 0.00 0.00 179.24 178.62 3lb0 h LEU 242 N 0.70 0.07 -0.86 1.55 5.85 -0.70 -1.72 115.31 120.21 3lb0 h LEU 242 Ca 0.13 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3lb0 h LEU 242 Cb 0.46 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3lb0 h LEU 242 CO 0.02 0.14 0.38 -0.09 -0.34 0.00 0.00 178.44 178.55 3lb0 h ARG 243 N 0.00 1.21 -0.32 1.25 9.65 -0.95 -1.08 114.38 124.13 3lb0 h ARG 243 Ca 0.02 -0.19 0.05 0.00 -1.10 0.00 0.00 59.98 58.76 3lb0 h ARG 243 Cb 0.08 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 3lb0 h ARG 243 CO -0.00 0.94 0.02 1.15 2.80 0.00 0.00 179.97 184.88 3lb0 h THR 244 N 1.19 0.79 -0.21 0.20 2.02 -1.07 -0.42 112.91 115.40 3lb0 h THR 244 Ca 0.28 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 3lb0 h THR 244 Cb 0.15 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3lb0 h THR 244 CO -0.03 0.02 -0.22 0.58 0.37 0.00 0.00 175.52 176.24 3lb0 h VAL 245 N 0.12 1.33 -1.00 3.16 2.07 -0.95 -2.40 116.25 118.57 3lb0 h VAL 245 Ca 0.16 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.34 3lb0 h VAL 245 Cb 0.20 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3lb0 h VAL 245 CO -0.24 0.43 0.65 -0.07 0.02 0.00 0.00 177.57 178.35 3lb0 h LEU 246 N 0.20 1.05 -0.55 2.57 3.38 -0.99 -0.90 115.31 120.07 3lb0 h LEU 246 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3lb0 h LEU 246 Cb 0.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3lb0 h LEU 246 CO 0.05 0.68 0.06 0.74 0.09 0.00 0.00 178.44 180.06 3lb0 h THR 247 N 1.20 1.26 -0.32 0.22 2.02 -1.00 -1.54 112.91 114.75 3lb0 h THR 247 Ca 0.42 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3lb0 h THR 247 Cb 0.12 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3lb0 h THR 247 CO -0.16 0.37 0.20 0.40 0.37 0.00 0.00 175.52 176.70 3lb0 h ILE 248 N 0.82 1.09 0.00 3.11 2.04 -0.83 -2.55 117.51 121.19 3lb0 h ILE 248 Ca 0.16 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3lb0 h ILE 248 Cb 0.46 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3lb0 h ILE 248 CO 0.02 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 178.19 3lb0 h LEU 249 N 0.42 0.00 -0.38 1.44 3.38 -0.99 -2.75 115.31 116.43 3lb0 h LEU 249 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3lb0 h LEU 249 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3lb0 h LEU 249 CO -0.02 0.00 -0.66 -0.74 0.09 0.00 0.00 178.44 177.10 3lb0 h HIS 250 N 0.00 0.00 0.00 1.13 2.76 -0.85 -3.49 115.15 114.70 3lb0 h HIS 250 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3lb0 h HIS 250 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3lb0 h HIS 250 CO 0.00 0.66 0.00 0.94 -1.30 0.00 0.00 177.93 178.23