#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg3 s ARG 3 N 0.00 1.06 0.24 1.64 3.52 -1.26 -0.63 118.95 123.52 2pg3 s ARG 3 Ca 0.00 -0.38 0.10 0.00 -0.13 0.00 0.00 55.73 55.32 2pg3 s ARG 3 Cb 0.00 -0.99 -0.05 0.00 -1.56 0.00 0.00 34.95 32.35 2pg3 s ARG 3 CO 0.00 0.17 -0.17 0.00 -0.81 0.00 0.00 175.30 174.49 2pg3 s ALA 4 N 0.03 2.34 -0.14 6.12 0.00 -0.60 -0.70 121.76 128.81 2pg3 s ALA 4 Ca -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2pg3 s ALA 4 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2pg3 s ALA 4 CO 0.00 0.16 -0.15 0.08 0.00 0.00 0.00 175.76 175.86 2pg3 s VAL 5 N -2.76 2.83 -0.24 0.00 1.01 0.05 -0.99 120.40 120.31 2pg3 s VAL 5 Ca 0.26 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2pg3 s VAL 5 Cb -0.03 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2pg3 s VAL 5 CO 0.10 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 175.07 2pg3 s VAL 6 N 0.56 4.09 -0.19 2.92 1.01 -0.02 0.80 120.40 129.56 2pg3 s VAL 6 Ca -0.09 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2pg3 s VAL 6 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2pg3 s VAL 6 CO 0.04 0.36 1.53 -0.69 0.00 0.00 0.00 175.10 176.34 2pg3 s VAL 7 N 1.54 3.81 -0.04 2.92 1.01 -0.44 -0.76 120.40 128.45 2pg3 s VAL 7 Ca 0.06 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2pg3 s VAL 7 Cb -0.15 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2pg3 s VAL 7 CO 0.02 -0.24 -0.06 0.12 0.00 0.00 0.00 175.10 174.94 2pg3 s PHE 8 N 4.60 0.83 0.00 5.22 5.36 0.34 -4.66 117.98 129.67 2pg3 s PHE 8 Ca 0.67 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.41 2pg3 s PHE 8 Cb -0.25 -0.69 0.00 0.00 -0.34 0.00 0.00 43.02 41.74 2pg3 s PHE 8 CO 0.26 -0.18 0.32 -1.13 -1.46 0.00 0.00 175.22 173.03 2pg3 n SER 9 N 3.87 0.64 0.00 6.13 3.41 -1.26 -3.85 113.62 122.56 2pg3 n SER 9 Ca -0.24 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2pg3 n SER 9 Cb 0.52 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2pg3 n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pg3 n GLY 10 N 0.09 0.72 0.00 5.00 0.00 -1.26 -4.93 105.19 104.81 2pg3 n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pg3 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pg3 n GLY 11 N -2.47 0.67 0.10 -0.02 0.00 -1.25 -1.38 105.19 100.85 2pg3 n GLY 11 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 2pg3 n GLY 11 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2pg3 h GLN 12 N 0.00 0.21 -0.04 1.61 4.15 -1.92 -2.25 115.11 116.87 2pg3 h GLN 12 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2pg3 h GLN 12 Cb 0.00 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 2pg3 h GLN 12 CO 0.00 0.48 0.01 -0.44 -1.93 0.00 0.00 178.83 176.95 2pg3 h ASP 13 N -0.08 0.07 0.41 -0.69 3.32 -1.97 -1.05 116.42 116.44 2pg3 h ASP 13 Ca 0.03 -0.22 -0.17 0.00 0.02 0.00 0.00 57.03 56.69 2pg3 h ASP 13 Cb 0.39 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2pg3 h ASP 13 CO 0.01 0.27 -0.72 0.77 -1.72 0.00 0.00 179.24 177.85 2pg3 h SER 14 N -0.14 0.32 0.00 6.45 4.64 -1.88 -1.43 113.55 121.50 2pg3 h SER 14 Ca 0.01 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 2pg3 h SER 14 Cb 0.23 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2pg3 h SER 14 CO 0.00 0.93 -0.41 0.74 -0.87 0.00 0.00 176.83 177.22 2pg3 h THR 15 N 0.18 1.30 -0.69 2.95 2.02 -1.38 -1.11 112.91 116.18 2pg3 h THR 15 Ca -0.02 -1.58 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 2pg3 h THR 15 Cb 1.29 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 2pg3 h THR 15 CO 0.11 0.49 0.30 0.74 0.37 0.00 0.00 175.52 177.54 2pg3 h THR 16 N 0.42 1.24 -0.28 3.16 2.02 -0.92 -0.69 112.91 117.87 2pg3 h THR 16 Ca 0.04 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2pg3 h THR 16 Cb 0.90 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2pg3 h THR 16 CO 0.08 0.29 0.12 0.00 0.37 0.00 0.00 175.52 176.38 2pg3 h LEU 18 N 0.31 0.48 -0.09 0.00 5.85 -1.06 0.14 115.31 120.93 2pg3 h LEU 18 Ca 0.09 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2pg3 h LEU 18 Cb 0.15 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2pg3 h LEU 18 CO -0.01 0.32 0.04 0.40 -0.34 0.00 0.00 178.44 178.85 2pg3 h ILE 19 N 0.62 1.13 -0.67 4.05 2.04 -1.05 -1.00 117.51 122.64 2pg3 h ILE 19 Ca 0.28 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2pg3 h ILE 19 Cb 0.17 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2pg3 h ILE 19 CO -0.18 0.12 0.43 -0.61 0.00 0.00 0.00 178.15 177.91 2pg3 h GLN 20 N 0.01 0.85 -0.71 2.37 4.15 -1.08 -3.02 115.11 117.67 2pg3 h GLN 20 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2pg3 h GLN 20 Cb 0.15 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 2pg3 h GLN 20 CO -0.00 0.56 0.41 0.00 -1.93 0.00 0.00 178.83 177.87 2pg3 h ALA 21 N 1.26 1.40 0.00 3.38 0.00 -0.38 -1.93 119.26 122.99 2pg3 h ALA 21 Ca 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2pg3 h ALA 21 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2pg3 h ALA 21 CO -0.07 0.51 -0.16 -0.07 0.00 0.00 0.00 179.25 179.46 2pg3 h LEU 22 N 0.98 0.00 -0.19 0.00 3.38 -1.06 0.50 115.31 118.92 2pg3 h LEU 22 Ca 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 2pg3 h LEU 22 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2pg3 h LEU 22 CO -0.05 0.16 -0.94 1.56 0.09 0.00 0.00 178.44 179.26 2pg3 h GLN 23 N 0.00 0.36 0.00 1.13 1.08 -1.33 -3.39 115.11 112.96 2pg3 h GLN 23 Ca -0.00 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 56.78 2pg3 h GLN 23 Cb 0.40 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2pg3 h GLN 23 CO 0.02 1.08 -1.40 -0.25 -0.95 0.00 0.00 178.83 177.32 2pg3 n ASP 24 N -3.72 0.55 -4.45 1.46 8.00 -0.83 -4.93 116.55 112.63 2pg3 n ASP 24 Ca -0.06 0.22 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 2pg3 n ASP 24 Cb 0.83 0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 42.78 2pg3 n ASP 24 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2pg3 s TYR 25 N -3.36 2.22 -0.18 1.24 1.51 0.11 -5.02 117.35 113.87 2pg3 s TYR 25 Ca -0.03 -0.36 0.17 0.00 -1.01 0.00 0.00 57.07 55.84 2pg3 s TYR 25 Cb 0.11 -0.97 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2pg3 s TYR 25 CO 0.83 0.67 1.21 -0.44 -1.11 0.00 0.00 175.55 176.72 2pg3 h ASP 26 N 2.33 0.00 -3.20 2.29 3.32 -1.17 -3.44 116.42 116.55 2pg3 h ASP 26 Ca -0.40 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.47 2pg3 h ASP 26 Cb 1.25 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.51 2pg3 h ASP 26 CO 0.60 0.43 -0.45 -0.62 -1.72 0.00 0.00 179.24 177.49 2pg3 s ASP 27 N -6.11 -0.21 -0.08 6.45 2.15 -1.10 -5.02 116.67 112.76 2pg3 s ASP 27 Ca 0.02 0.63 0.03 0.00 0.43 0.00 0.00 52.55 53.66 2pg3 s ASP 27 Cb 0.08 0.58 0.01 0.00 -0.30 0.00 0.00 42.92 43.29 2pg3 s ASP 27 CO 0.77 -0.19 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.74 2pg3 s VAL 28 N 1.56 1.38 0.09 1.11 1.01 -1.26 -1.55 120.40 122.74 2pg3 s VAL 28 Ca -0.07 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2pg3 s VAL 28 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2pg3 s VAL 28 CO -0.10 0.41 0.20 -1.00 0.00 0.00 0.00 175.10 174.62 2pg3 s HIS 29 N 0.64 3.44 0.05 5.22 3.76 -0.16 -0.48 115.29 127.76 2pg3 s HIS 29 Ca -0.14 0.18 0.06 0.00 -0.15 0.00 0.00 55.06 55.00 2pg3 s HIS 29 Cb -0.16 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 2pg3 s HIS 29 CO 0.04 0.56 -0.11 0.00 -0.85 0.00 0.00 174.74 174.38 2pg3 s ILE 31 N -1.05 0.91 -0.12 0.00 2.07 0.06 -0.80 121.20 122.27 2pg3 s ILE 31 Ca 0.18 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 2pg3 s ILE 31 Cb -0.11 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 2pg3 s ILE 31 CO 0.09 0.30 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.37 2pg3 s THR 32 N 0.60 2.81 -0.42 4.00 2.01 0.44 -0.50 115.64 124.57 2pg3 s THR 32 Ca -0.11 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 2pg3 s THR 32 Cb -0.14 -2.16 0.03 0.00 0.01 0.00 0.00 72.50 70.24 2pg3 s THR 32 CO 0.02 0.53 0.31 -0.36 -0.69 0.00 0.00 174.62 174.43 2pg3 s PHE 33 N 0.38 3.24 -0.43 4.92 0.08 -1.26 -0.69 117.98 124.22 2pg3 s PHE 33 Ca -0.12 -0.66 -0.16 0.00 0.12 0.00 0.00 56.93 56.10 2pg3 s PHE 33 Cb -0.16 -2.68 0.03 0.00 -0.57 0.00 0.00 43.02 39.64 2pg3 s PHE 33 CO 0.06 -0.63 0.38 0.34 -0.10 0.00 0.00 175.22 175.28 2pg3 s ASP 34 N 1.83 6.15 -0.11 1.36 2.15 -0.31 -4.89 116.67 122.84 2pg3 s ASP 34 Ca 0.05 -0.92 0.16 0.00 0.43 0.00 0.00 52.55 52.26 2pg3 s ASP 34 Cb -0.20 -2.19 0.24 0.00 -0.30 0.00 0.00 42.92 40.47 2pg3 s ASP 34 CO 0.09 -0.56 1.12 0.00 -0.17 0.00 0.00 175.17 175.65 2pg3 n TYR 35 N 5.37 0.00 0.00 -5.34 4.11 -1.26 -0.93 117.16 119.11 2pg3 n TYR 35 Ca -0.10 -0.86 0.00 0.00 -0.00 0.00 0.00 57.90 56.94 2pg3 n TYR 35 Cb 0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.67 2pg3 n TYR 35 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2pg3 n GLY 36 N -1.23 2.28 6.61 -7.48 0.00 -1.26 -4.80 105.19 99.32 2pg3 n GLY 36 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2pg3 n GLY 36 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pg3 n GLN 37 N 0.00 0.00 0.00 1.61 -0.06 -1.26 -4.70 117.38 112.97 2pg3 n GLN 37 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2pg3 n GLN 37 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2pg3 n GLN 37 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2pg3 n ARG 38 N 0.00 0.00 -3.64 3.69 5.12 -1.26 -5.16 116.66 115.41 2pg3 n ARG 38 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 2pg3 n ARG 38 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2pg3 n ARG 38 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 2pg3 s HIS 39 N 2.27 -0.16 0.15 -1.55 -3.43 -1.26 -4.96 115.29 106.35 2pg3 s HIS 39 Ca 0.00 -0.02 -0.16 0.00 -0.80 0.00 0.00 55.06 54.07 2pg3 s HIS 39 Cb 0.00 0.58 0.10 0.00 -1.43 0.00 0.00 32.58 31.82 2pg3 s HIS 39 CO 0.00 -0.55 1.13 2.89 -2.00 0.00 0.00 174.74 176.21 2pg3 n ARG 40 N -0.37 -0.22 -0.05 -0.38 0.00 -1.26 -0.93 116.66 113.44 2pg3 n ARG 40 Ca -0.06 1.12 -0.10 0.00 -0.00 0.00 0.00 57.85 58.80 2pg3 n ARG 40 Cb 0.61 -1.66 -0.04 0.00 -0.00 0.00 0.00 32.46 31.38 2pg3 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2pg3 h ALA 41 N 0.79 0.27 -0.26 2.89 0.00 -1.97 0.37 119.26 121.35 2pg3 h ALA 41 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2pg3 h ALA 41 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2pg3 h ALA 41 CO -0.71 -0.22 0.08 0.93 0.00 0.00 0.00 179.25 179.32 2pg3 h GLU 42 N 0.25 0.19 -0.73 0.00 5.08 -1.41 0.46 114.58 118.43 2pg3 h GLU 42 Ca 0.07 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2pg3 h GLU 42 Cb 0.03 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2pg3 h GLU 42 CO -0.01 0.12 0.43 0.82 -1.00 0.00 0.00 179.01 179.37 2pg3 h ILE 43 N 0.19 1.01 -0.20 3.13 2.04 -0.99 0.22 117.51 122.92 2pg3 h ILE 43 Ca 0.11 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2pg3 h ILE 43 Cb 0.09 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2pg3 h ILE 43 CO -0.13 0.15 0.00 -0.33 0.00 0.00 0.00 178.15 177.84 2pg3 h GLU 44 N 0.80 0.29 -0.04 2.37 5.08 0.64 0.31 114.58 124.03 2pg3 h GLU 44 Ca 0.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2pg3 h GLU 44 Cb 0.15 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2pg3 h GLU 44 CO -0.16 0.32 -0.03 0.28 -1.00 0.00 0.00 179.01 178.41 2pg3 h VAL 45 N 0.29 1.36 -0.84 3.13 2.07 0.18 -1.47 116.25 120.96 2pg3 h VAL 45 Ca 0.07 -1.11 0.18 0.00 0.82 0.00 0.00 66.70 66.66 2pg3 h VAL 45 Cb 0.20 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2pg3 h VAL 45 CO 0.00 0.30 0.56 0.00 0.02 0.00 0.00 177.57 178.45 2pg3 h ALA 46 N 0.57 2.21 -0.44 1.67 0.00 -0.84 0.12 119.26 122.54 2pg3 h ALA 46 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2pg3 h ALA 46 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pg3 h ALA 46 CO 0.01 -0.46 -0.11 1.96 0.00 0.00 0.00 179.25 180.65 2pg3 h GLN 47 N 0.38 0.86 -0.68 0.00 4.20 -0.73 -1.90 115.11 117.23 2pg3 h GLN 47 Ca 0.42 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2pg3 h GLN 47 Cb 1.07 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 2pg3 h GLN 47 CO -0.14 0.96 0.25 0.93 -0.67 0.00 0.00 178.83 180.16 2pg3 h GLU 48 N 0.69 1.01 -0.20 1.46 5.08 0.18 -0.15 114.58 122.65 2pg3 h GLU 48 Ca 0.11 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2pg3 h GLU 48 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2pg3 h GLU 48 CO 0.04 0.84 0.08 1.25 -1.00 0.00 0.00 179.01 180.22 2pg3 h LEU 49 N 0.99 0.11 -0.06 1.33 5.85 -0.81 0.35 115.31 123.07 2pg3 h LEU 49 Ca 0.23 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2pg3 h LEU 49 Cb 0.22 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2pg3 h LEU 49 CO -0.02 0.09 -0.01 0.77 -0.34 0.00 0.00 178.44 178.93 2pg3 h SER 50 N 0.18 0.12 -0.44 1.25 4.64 -1.09 0.11 113.55 118.32 2pg3 h SER 50 Ca 0.08 -0.34 0.09 0.00 -0.47 0.00 0.00 61.79 61.15 2pg3 h SER 50 Cb 0.04 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.01 2pg3 h SER 50 CO -0.08 0.43 -0.15 -0.61 -0.87 0.00 0.00 176.83 175.55 2pg3 h GLN 51 N -0.20 -0.05 0.00 4.77 4.15 -0.91 0.50 115.11 123.37 2pg3 h GLN 51 Ca 0.02 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 2pg3 h GLN 51 Cb 0.38 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 2pg3 h GLN 51 CO 0.00 -0.04 -0.53 -0.22 -1.93 0.00 0.00 178.83 176.11 2pg3 h LYS 52 N -0.06 0.00 0.00 1.69 1.63 -0.02 -2.50 116.57 117.32 2pg3 h LYS 52 Ca 0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2pg3 h LYS 52 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2pg3 h LYS 52 CO -0.49 0.53 0.00 -0.07 -3.45 0.00 0.00 179.45 175.98 2pg3 h LEU 53 N 0.00 0.00 0.00 5.20 3.38 -0.43 -3.48 115.31 119.99 2pg3 h LEU 53 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pg3 h LEU 53 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2pg3 h LEU 53 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2pg3 n GLY 54 N 0.47 1.10 3.75 0.83 0.00 -0.81 -5.08 105.19 105.46 2pg3 n GLY 54 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2pg3 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pg3 n ALA 55 N -0.67 1.94 0.18 4.61 0.00 0.10 -4.76 120.51 121.91 2pg3 n ALA 55 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.78 2pg3 n ALA 55 Cb 0.00 -2.37 0.24 0.00 0.00 0.00 0.00 19.45 17.32 2pg3 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pg3 h ALA 56 N 2.47 0.87 -2.51 0.00 0.00 -1.11 -3.42 119.26 115.55 2pg3 h ALA 56 Ca -0.50 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.15 2pg3 h ALA 56 Cb 1.27 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 2pg3 h ALA 56 CO 0.62 0.48 0.41 0.00 0.00 0.00 0.00 179.25 180.75 2pg3 s ALA 57 N -3.34 -1.71 -0.26 0.00 0.00 -1.25 -5.03 121.76 110.17 2pg3 s ALA 57 Ca 0.02 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 2pg3 s ALA 57 Cb 0.09 0.59 0.11 0.00 0.00 0.00 0.00 23.12 23.91 2pg3 s ALA 57 CO 0.70 -0.78 0.19 -1.58 0.00 0.00 0.00 175.76 174.29 2pg3 s HIS 58 N -3.35 -0.02 -0.06 0.00 5.04 -1.26 -0.98 115.29 114.67 2pg3 s HIS 58 Ca 0.05 -0.44 -0.19 0.00 -1.54 0.00 0.00 55.06 52.94 2pg3 s HIS 58 Cb -0.01 -0.67 -0.05 0.00 0.04 0.00 0.00 32.58 31.89 2pg3 s HIS 58 CO -0.08 -0.79 0.53 0.21 -2.34 0.00 0.00 174.74 172.27 2pg3 s LYS 59 N 2.22 4.29 -0.22 2.88 2.47 0.02 -4.97 119.74 126.42 2pg3 s LYS 59 Ca 0.08 0.58 -0.04 0.00 -1.56 0.00 0.00 55.97 55.03 2pg3 s LYS 59 Cb -0.15 -3.38 -0.01 0.00 -1.46 0.00 0.00 37.83 32.83 2pg3 s LYS 59 CO -0.29 0.29 -0.02 0.08 0.16 0.00 0.00 175.35 175.57 2pg3 s VAL 60 N 0.13 3.53 -0.17 4.02 1.01 -1.26 -0.42 120.40 127.24 2pg3 s VAL 60 Ca 0.28 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2pg3 s VAL 60 Cb -0.17 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2pg3 s VAL 60 CO 0.14 0.41 -0.20 -0.22 0.00 0.00 0.00 175.10 175.23 2pg3 s LEU 61 N 1.49 2.16 -0.34 3.92 2.96 0.14 -4.96 118.68 124.04 2pg3 s LEU 61 Ca 0.06 -0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 53.06 2pg3 s LEU 61 Cb -0.14 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2pg3 s LEU 61 CO -0.02 0.03 1.64 -0.62 -1.32 0.00 0.00 176.35 176.06 2pg3 s ASP 62 N 1.10 6.11 -0.45 3.68 -1.08 -1.26 -1.16 116.67 123.61 2pg3 s ASP 62 Ca 0.00 1.18 0.04 0.00 -0.52 0.00 0.00 52.55 53.25 2pg3 s ASP 62 Cb -0.14 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.23 2pg3 s ASP 62 CO -0.08 -1.55 1.48 1.33 0.52 0.00 0.00 175.17 176.87 2pg3 n VAL 63 N 7.17 2.90 0.61 1.11 0.24 -0.11 -4.75 118.33 125.51 2pg3 n VAL 63 Ca 0.20 -3.91 0.07 0.00 -2.04 0.00 0.00 64.34 58.65 2pg3 n VAL 63 Cb 0.47 -1.16 0.33 0.00 -1.47 0.00 0.00 33.84 32.01 2pg3 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pg3 n GLY 64 N -0.74 -0.78 0.23 7.63 0.00 -1.25 -1.94 105.19 108.34 2pg3 n GLY 64 Ca 0.50 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.55 2pg3 n GLY 64 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2pg3 h LEU 65 N 0.00 0.00 -0.63 0.99 -0.00 -1.94 -2.54 115.31 111.20 2pg3 h LEU 65 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.01 2pg3 h LEU 65 Cb 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.71 2pg3 h LEU 65 CO 0.00 0.22 0.07 -0.07 -0.00 0.00 0.00 178.44 178.66 2pg3 h LEU 66 N 0.00 -0.13 -1.97 0.17 3.38 -1.80 -1.93 115.31 113.02 2pg3 h LEU 66 Ca -0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2pg3 h LEU 66 Cb 0.56 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pg3 h LEU 66 CO 0.03 -0.06 -0.08 0.78 0.09 0.00 0.00 178.44 179.20 2pg3 h ASN 67 N 0.19 0.00 0.84 -0.43 2.35 -1.66 -0.50 115.58 116.36 2pg3 h ASN 67 Ca 0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2pg3 h ASN 67 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 2pg3 h ASN 67 CO -0.48 0.08 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.03 2pg3 h GLU 68 N 0.00 0.00 -0.01 0.81 3.07 -1.34 -3.10 114.58 114.01 2pg3 h GLU 68 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pg3 h GLU 68 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2pg3 h GLU 68 CO 0.01 0.02 -0.22 1.28 -1.40 0.00 0.00 179.01 178.70 2pg3 n LEU 69 N -3.13 1.17 -4.76 1.33 4.77 -0.20 -4.02 117.00 112.16 2pg3 n LEU 69 Ca -0.00 -0.33 -0.38 0.00 -0.03 0.00 0.00 56.01 55.26 2pg3 n LEU 69 Cb 0.27 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2pg3 n LEU 69 CO 0.27 0.21 0.93 0.00 -1.33 0.00 0.00 177.39 177.47 2pg3 s ALA 70 N -2.41 3.03 0.26 -1.18 0.00 -1.17 -4.84 121.76 115.44 2pg3 s ALA 70 Ca 0.26 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 2pg3 s ALA 70 Cb 0.19 -3.49 0.43 0.00 0.00 0.00 0.00 23.12 20.25 2pg3 s ALA 70 CO 0.49 -0.97 1.84 1.15 0.00 0.00 0.00 175.76 178.26 2pg3 h THR 71 N 1.94 0.97 -0.91 0.00 2.02 -1.79 -0.40 112.91 114.74 2pg3 h THR 71 Ca -0.50 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.39 2pg3 h THR 71 Cb 1.27 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 2pg3 h THR 71 CO 0.60 0.17 0.59 0.77 0.37 0.00 0.00 175.52 178.03 2pg3 h SER 72 N 0.96 0.98 -0.18 4.18 4.64 -1.92 -0.05 113.55 122.16 2pg3 h SER 72 Ca 0.43 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.69 2pg3 h SER 72 Cb 0.32 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2pg3 h SER 72 CO -0.22 0.68 -0.07 0.28 -0.87 0.00 0.00 176.83 176.62 2pg3 h SER 73 N 1.15 0.38 -0.53 4.97 0.02 -1.40 -1.98 113.55 116.16 2pg3 h SER 73 Ca 0.36 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2pg3 h SER 73 Cb 0.00 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2pg3 h SER 73 CO -0.12 0.69 0.32 -0.07 -1.14 0.00 0.00 176.83 176.51 2pg3 h LEU 74 N 0.06 0.53 -0.98 5.07 3.38 -1.03 0.35 115.31 122.70 2pg3 h LEU 74 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2pg3 h LEU 74 Cb 0.54 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2pg3 h LEU 74 CO 0.02 0.37 -0.08 0.71 0.09 0.00 0.00 178.44 179.56 2pg3 h THR 75 N 0.64 1.24 -0.75 0.22 1.35 -0.99 0.04 112.91 114.67 2pg3 h THR 75 Ca 0.21 -1.04 -0.04 0.00 -0.55 0.00 0.00 66.41 64.99 2pg3 h THR 75 Cb 0.00 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.42 2pg3 h THR 75 CO -0.09 0.35 0.33 -0.09 -0.25 0.00 0.00 175.52 175.77 2pg3 h ARG 76 N 0.60 1.09 -0.94 4.72 2.43 -0.64 -2.42 114.38 119.22 2pg3 h ARG 76 Ca 0.11 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2pg3 h ARG 76 Cb 0.50 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2pg3 h ARG 76 CO 0.03 0.87 0.04 -0.25 -1.51 0.00 0.00 179.97 179.14 2pg3 n ASP 77 N -4.30 2.35 -2.02 -3.80 10.43 0.12 -4.87 116.55 114.45 2pg3 n ASP 77 Ca 0.07 -2.24 -0.19 0.00 2.57 0.00 0.00 54.79 55.00 2pg3 n ASP 77 Cb 0.16 -0.55 -0.03 0.00 1.84 0.00 0.00 41.12 42.54 2pg3 n ASP 77 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2pg3 n SER 78 N 0.14 -5.53 -4.68 -2.24 3.41 -0.91 -5.01 113.62 98.80 2pg3 n SER 78 Ca 0.08 0.12 -0.39 0.00 -0.26 0.00 0.00 58.87 58.42 2pg3 n SER 78 Cb 0.54 -4.61 -0.06 0.00 -0.26 0.00 0.00 64.21 59.81 2pg3 n SER 78 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pg3 s ILE 79 N -2.90 5.09 0.10 -1.33 -1.09 -0.05 -5.02 121.20 116.01 2pg3 s ILE 79 Ca 0.00 1.09 -0.31 0.00 -2.23 0.00 0.00 60.65 59.20 2pg3 s ILE 79 Cb 0.00 -3.89 -0.08 0.00 -1.58 0.00 0.00 42.46 36.91 2pg3 s ILE 79 CO 0.00 0.19 1.41 -2.16 -1.23 0.00 0.00 174.94 173.15 2pg3 s PRO 80 N 1.43 4.31 0.16 2.79 0.04 -1.26 -3.89 135.00 138.58 2pg3 s PRO 80 Ca 0.28 2.09 0.10 0.00 0.04 0.00 0.00 61.00 63.50 2pg3 s PRO 80 Cb -0.16 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2pg3 s PRO 80 CO 0.11 -0.47 -0.18 0.08 0.04 0.00 0.00 177.00 176.58 2pg3 s VAL 81 N 1.30 2.77 0.14 -0.36 1.01 -1.26 -5.05 120.40 118.95 2pg3 s VAL 81 Ca 0.65 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2pg3 s VAL 81 Cb -0.37 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 2pg3 s VAL 81 CO 0.30 -0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.36 2pg3 s PRO 82 N -2.53 4.51 -0.53 2.72 0.05 -1.26 -5.15 135.00 132.81 2pg3 s PRO 82 Ca 0.21 1.78 -0.27 0.00 0.05 0.00 0.00 61.00 62.77 2pg3 s PRO 82 Cb -0.09 -3.29 0.03 0.00 0.05 0.00 0.00 34.50 31.20 2pg3 s PRO 82 CO 0.11 -0.07 1.06 -0.51 0.05 0.00 0.00 177.00 177.64 2pg3 s ASP 83 N 0.33 6.46 0.00 6.66 1.01 -1.26 -5.24 116.67 124.62 2pg3 s ASP 83 Ca 0.53 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.83 2pg3 s ASP 83 Cb -0.30 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.13 2pg3 s ASP 83 CO 0.34 -1.29 0.00 -0.46 0.21 0.00 0.00 175.17 173.96 2pg3 n ASN 93 N 7.84 0.00 -0.83 0.27 2.04 -1.26 -5.35 115.26 117.97 2pg3 n ASN 93 Ca 0.07 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.28 2pg3 n ASN 93 Cb 0.48 0.00 0.21 0.00 -2.53 0.00 0.00 39.78 37.95 2pg3 n ASN 93 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2pg3 n THR 94 N -0.61 1.48 -2.67 5.53 -2.24 -1.26 -3.49 114.28 111.02 2pg3 n THR 94 Ca 0.00 -1.29 -0.41 0.00 -2.27 0.00 0.00 64.05 60.08 2pg3 n THR 94 Cb 0.00 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 2pg3 n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2pg3 s PHE 95 N -1.65 3.81 -0.10 4.78 5.36 -1.26 -4.89 117.98 124.03 2pg3 s PHE 95 Ca 0.32 1.79 -0.01 0.00 -0.96 0.00 0.00 56.93 58.07 2pg3 s PHE 95 Cb 0.21 -3.09 0.03 0.00 -0.34 0.00 0.00 43.02 39.83 2pg3 s PHE 95 CO 0.15 0.07 -0.04 0.08 -1.46 0.00 0.00 175.22 174.02 2pg3 s VAL 96 N -0.49 0.72 0.57 3.12 1.01 -1.26 -4.50 120.40 119.58 2pg3 s VAL 96 Ca 0.45 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2pg3 s VAL 96 Cb -0.26 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2pg3 s VAL 96 CO 0.32 0.30 1.06 -2.16 0.00 0.00 0.00 175.10 174.62 2pg3 s PRO 97 N 1.83 3.39 -1.42 2.72 0.04 -1.26 -4.29 135.00 136.00 2pg3 s PRO 97 Ca 0.05 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 2pg3 s PRO 97 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2pg3 s PRO 97 CO -0.07 -0.76 0.56 0.41 0.04 0.00 0.00 177.00 177.18 2pg3 n GLY 98 N -0.80 -0.41 0.18 0.56 0.00 -1.26 -4.90 105.19 98.57 2pg3 n GLY 98 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.16 2pg3 n GLY 98 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pg3 h ARG 99 N -1.27 0.06 0.00 1.61 0.11 -1.97 -2.53 114.38 110.39 2pg3 h ARG 99 Ca -0.48 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2pg3 h ARG 99 Cb 1.33 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2pg3 h ARG 99 CO 0.52 0.47 0.00 -0.97 0.10 0.00 0.00 179.97 180.09 2pg3 h ASN 100 N 0.05 0.00 -0.13 0.08 -1.24 -1.90 -1.15 115.58 111.29 2pg3 h ASN 100 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2pg3 h ASN 100 Cb 0.77 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 2pg3 h ASN 100 CO 0.06 0.00 0.03 0.40 -1.29 0.00 0.00 177.43 176.63 2pg3 h ILE 101 N 0.00 1.20 -0.12 2.57 2.04 -1.72 -1.08 117.51 120.40 2pg3 h ILE 101 Ca 0.00 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.29 2pg3 h ILE 101 Cb 0.76 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 2pg3 h ILE 101 CO 0.00 0.18 -0.17 0.25 0.00 0.00 0.00 178.15 178.41 2pg3 h LEU 102 N 0.00 -0.52 -0.45 1.44 5.85 -1.40 -2.00 115.31 118.23 2pg3 h LEU 102 Ca 0.04 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2pg3 h LEU 102 Cb 0.25 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2pg3 h LEU 102 CO 0.00 -0.22 0.27 -0.26 -0.34 0.00 0.00 178.44 177.89 2pg3 h PHE 103 N -0.22 0.58 -0.30 1.25 0.04 -1.12 -0.51 116.94 116.67 2pg3 h PHE 103 Ca 0.09 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 2pg3 h PHE 103 Cb 0.35 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2pg3 h PHE 103 CO -0.28 0.41 -0.17 -0.07 -0.60 0.00 0.00 178.31 177.60 2pg3 h LEU 104 N 0.59 0.54 -0.17 1.54 3.38 -1.14 -1.10 115.31 118.95 2pg3 h LEU 104 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pg3 h LEU 104 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2pg3 h LEU 104 CO -0.03 0.73 0.05 0.74 0.09 0.00 0.00 178.44 180.02 2pg3 h THR 105 N 0.49 1.19 -0.39 0.22 2.02 -0.98 -1.40 112.91 114.06 2pg3 h THR 105 Ca 0.08 -0.59 -0.14 0.00 0.77 0.00 0.00 66.41 66.53 2pg3 h THR 105 Cb 0.58 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2pg3 h THR 105 CO 0.04 0.18 -0.31 -0.07 0.37 0.00 0.00 175.52 175.74 2pg3 h LEU 106 N 0.09 0.94 -1.24 2.58 3.38 -0.85 -2.00 115.31 118.21 2pg3 h LEU 106 Ca 0.05 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2pg3 h LEU 106 Cb 0.24 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2pg3 h LEU 106 CO -0.00 1.19 0.54 0.00 0.09 0.00 0.00 178.44 180.25 2pg3 h ALA 107 N 0.78 1.56 -0.27 1.53 0.00 -1.21 -0.01 119.26 121.64 2pg3 h ALA 107 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2pg3 h ALA 107 Cb 0.89 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2pg3 h ALA 107 CO 0.08 0.33 -0.08 0.77 0.00 0.00 0.00 179.25 180.35 2pg3 h SER 108 N 0.95 0.53 -0.25 0.00 0.02 -1.10 0.37 113.55 114.06 2pg3 h SER 108 Ca 0.34 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2pg3 h SER 108 Cb 0.16 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2pg3 h SER 108 CO -0.12 0.78 0.13 0.40 -1.14 0.00 0.00 176.83 176.89 2pg3 h ILE 109 N 0.27 1.00 0.06 3.27 2.04 -1.13 0.13 117.51 123.15 2pg3 h ILE 109 Ca 0.07 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2pg3 h ILE 109 Cb 0.56 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2pg3 h ILE 109 CO 0.03 0.05 -0.08 0.22 0.00 0.00 0.00 178.15 178.36 2pg3 h TYR 110 N 0.27 -0.22 -0.65 1.37 3.20 -0.95 -2.36 116.97 117.62 2pg3 h TYR 110 Ca 0.10 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2pg3 h TYR 110 Cb 0.02 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 2pg3 h TYR 110 CO -0.09 -0.13 0.22 0.00 -1.64 0.00 0.00 178.16 176.52 2pg3 h ALA 111 N 0.75 0.85 -0.44 1.82 0.00 0.05 -0.99 119.26 121.31 2pg3 h ALA 111 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2pg3 h ALA 111 Cb 0.18 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2pg3 h ALA 111 CO -0.04 -0.23 -0.11 -0.92 0.00 0.00 0.00 179.25 177.94 2pg3 h TYR 112 N 0.38 -0.24 0.00 0.00 5.03 -0.68 0.63 116.97 122.09 2pg3 h TYR 112 Ca 0.34 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.61 2pg3 h TYR 112 Cb 0.48 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 2pg3 h TYR 112 CO -0.19 -0.19 -0.41 1.96 -1.32 0.00 0.00 178.16 178.01 2pg3 h GLN 113 N -0.01 0.00 -0.37 1.82 1.08 -0.67 -2.93 115.11 114.04 2pg3 h GLN 113 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2pg3 h GLN 113 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2pg3 h GLN 113 CO -0.45 0.41 0.00 1.33 -0.95 0.00 0.00 178.83 179.16 2pg3 n VAL 114 N -3.76 0.65 -2.87 -0.54 0.24 -0.64 -4.98 118.33 106.43 2pg3 n VAL 114 Ca -0.01 -0.83 -0.08 0.00 -2.04 0.00 0.00 64.34 61.38 2pg3 n VAL 114 Cb 0.48 0.81 0.03 0.00 -1.47 0.00 0.00 33.84 33.68 2pg3 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pg3 n GLY 115 N 1.10 0.45 3.78 7.63 0.00 -0.15 -5.02 105.19 112.97 2pg3 n GLY 115 Ca 0.16 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2pg3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pg3 s ALA 116 N -3.11 3.68 -0.94 4.61 0.00 0.20 -4.63 121.76 121.57 2pg3 s ALA 116 Ca 0.20 -0.46 0.27 0.00 0.00 0.00 0.00 51.96 51.96 2pg3 s ALA 116 Cb -0.09 -2.29 0.86 0.00 0.00 0.00 0.00 23.12 21.61 2pg3 s ALA 116 CO 0.25 0.28 1.68 -0.85 0.00 0.00 0.00 175.76 177.12 2pg3 n GLU 117 N 2.91 0.06 -3.79 0.00 0.28 0.12 -4.48 120.64 115.74 2pg3 n GLU 117 Ca -0.14 0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 56.76 2pg3 n GLU 117 Cb 0.53 -1.55 -0.12 0.00 1.43 0.00 0.00 31.44 31.73 2pg3 n GLU 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pg3 s ALA 118 N -3.03 -0.56 -0.19 -1.84 0.00 -1.23 -0.68 121.76 114.23 2pg3 s ALA 118 Ca 0.12 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 2pg3 s ALA 118 Cb 0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2pg3 s ALA 118 CO 0.61 -0.12 0.06 0.08 0.00 0.00 0.00 175.76 176.39 2pg3 s VAL 119 N 0.24 4.65 -0.15 0.00 1.01 -0.05 -0.77 120.40 125.32 2pg3 s VAL 119 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2pg3 s VAL 119 Cb -0.03 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2pg3 s VAL 119 CO -0.01 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.82 2pg3 s ILE 120 N 0.60 3.39 0.02 2.22 1.01 0.24 -1.15 121.20 127.52 2pg3 s ILE 120 Ca 0.03 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2pg3 s ILE 120 Cb -0.13 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 2pg3 s ILE 120 CO 0.01 0.50 -0.10 0.28 0.00 0.00 0.00 174.94 175.63 2pg3 s THR 121 N 0.55 0.79 -2.00 2.92 -1.32 -0.37 -1.32 115.64 114.88 2pg3 s THR 121 Ca -0.06 -0.73 0.10 0.00 -1.21 0.00 0.00 61.69 59.80 2pg3 s THR 121 Cb -0.15 -0.72 0.29 0.00 -1.51 0.00 0.00 72.50 70.41 2pg3 s THR 121 CO 0.03 0.00 1.25 0.61 -2.21 0.00 0.00 174.62 174.30 2pg3 n GLY 122 N 2.24 0.54 3.68 6.08 0.00 -1.26 -4.12 105.19 112.34 2pg3 n GLY 122 Ca -0.17 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2pg3 n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pg3 n VAL 123 N 0.46 1.84 -3.62 1.61 0.24 -1.26 -4.73 118.33 112.87 2pg3 n VAL 123 Ca 0.11 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 62.11 2pg3 n VAL 123 Cb 0.28 -1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 31.46 2pg3 n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pg3 n GLU 125 N -0.32 2.65 -0.20 0.00 1.02 -1.26 -4.56 120.64 117.97 2pg3 n GLU 125 Ca -0.13 -2.47 0.11 0.00 -0.02 0.00 0.00 57.16 54.65 2pg3 n GLU 125 Cb 0.63 -1.51 0.21 0.00 -0.02 0.00 0.00 31.44 30.75 2pg3 n GLU 125 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2pg3 n THR 126 N 1.46 0.54 -2.30 2.62 -2.24 -1.26 -4.95 114.28 108.15 2pg3 n THR 126 Ca 0.21 -0.77 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 2pg3 n THR 126 Cb 0.59 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2pg3 n THR 126 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2pg3 s ASP 127 N -1.41 6.26 0.30 3.42 1.01 -1.26 -4.97 116.67 120.02 2pg3 s ASP 127 Ca 0.38 1.16 0.05 0.00 0.71 0.00 0.00 52.55 54.85 2pg3 s ASP 127 Cb 0.22 -2.35 0.78 0.00 1.01 0.00 0.00 42.92 42.57 2pg3 s ASP 127 CO 0.31 -0.70 1.69 -0.26 0.21 0.00 0.00 175.17 176.41 2pg3 h PHE 128 N 0.02 0.66 -3.33 4.23 0.04 -2.00 -3.36 116.94 113.21 2pg3 h PHE 128 Ca -0.46 0.04 -0.61 0.00 2.80 0.00 0.00 57.97 59.75 2pg3 h PHE 128 Cb 1.20 -0.15 -0.13 0.00 2.20 0.00 0.00 35.95 39.07 2pg3 h PHE 128 CO 0.62 -0.08 -0.50 -1.12 -0.60 0.00 0.00 178.31 176.63 2pg3 s SER 129 N -5.14 6.13 -0.44 2.17 0.01 -1.26 -5.07 113.70 110.11 2pg3 s SER 129 Ca -0.11 0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.32 2pg3 s SER 129 Cb 0.26 -2.08 0.12 0.00 0.21 0.00 0.00 66.02 64.53 2pg3 s SER 129 CO 0.78 0.16 0.22 -0.83 0.41 0.00 0.00 173.24 173.98 2pg3 s GLY 130 N 0.49 2.08 0.03 3.44 0.00 -1.26 -4.93 107.32 107.17 2pg3 s GLY 130 Ca 0.07 -2.67 -0.30 0.00 0.00 0.00 0.00 44.72 41.83 2pg3 s GLY 130 CO -0.01 1.03 0.96 -0.19 0.00 0.00 0.00 173.10 174.89 2pg3 s TYR 131 N 0.89 3.71 -0.10 1.90 1.51 -1.26 -4.94 117.35 119.05 2pg3 s TYR 131 Ca 0.10 1.71 0.23 0.00 -1.01 0.00 0.00 57.07 58.11 2pg3 s TYR 131 Cb -0.22 -3.08 0.62 0.00 -0.11 0.00 0.00 41.96 39.17 2pg3 s TYR 131 CO -0.04 0.07 1.70 -1.00 -1.11 0.00 0.00 175.55 175.16 2pg3 h PRO 132 N 6.39 0.00 -0.04 -1.71 0.13 -1.99 -2.13 132.00 132.64 2pg3 h PRO 132 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pg3 h PRO 132 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2pg3 h PRO 132 CO 0.74 0.20 0.00 -0.40 -0.23 0.00 0.00 178.00 178.30 2pg3 n ASP 133 N -3.22 0.04 0.00 1.44 5.75 -1.26 -3.04 116.55 116.26 2pg3 n ASP 133 Ca 0.02 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2pg3 n ASP 133 Cb 0.51 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2pg3 n ASP 133 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pg3 s ARG 135 N -0.73 4.51 0.21 0.00 0.52 -1.17 -4.11 118.95 118.18 2pg3 s ARG 135 Ca 0.00 1.20 -0.11 0.00 -0.52 0.00 0.00 55.73 56.30 2pg3 s ARG 135 Cb 0.00 -2.90 0.28 0.00 0.52 0.00 0.00 34.95 32.85 2pg3 s ARG 135 CO 0.00 0.36 1.68 0.22 0.02 0.00 0.00 175.30 177.58 2pg3 h ASP 136 N 3.43 -0.18 -0.40 0.23 3.58 -1.95 -1.31 116.42 119.82 2pg3 h ASP 136 Ca -0.47 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.14 2pg3 h ASP 136 Cb 1.19 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.44 2pg3 h ASP 136 CO 0.65 -0.07 0.20 -0.08 -2.88 0.00 0.00 179.24 177.06 2pg3 h GLU 137 N 0.16 0.40 -0.30 0.28 4.81 -1.96 -2.06 114.58 115.91 2pg3 h GLU 137 Ca 0.31 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 2pg3 h GLU 137 Cb 0.49 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2pg3 h GLU 137 CO -0.47 0.26 -0.03 0.35 -0.73 0.00 0.00 179.01 178.39 2pg3 h PHE 138 N 0.41 -0.08 -0.55 0.92 3.57 -1.72 -1.79 116.94 117.70 2pg3 h PHE 138 Ca 0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2pg3 h PHE 138 Cb 0.06 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2pg3 h PHE 138 CO -0.10 -0.09 0.26 0.28 -2.23 0.00 0.00 178.31 176.43 2pg3 h VAL 139 N 0.05 1.21 -0.33 1.41 2.07 -0.85 0.12 116.25 119.93 2pg3 h VAL 139 Ca 0.15 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2pg3 h VAL 139 Cb 0.21 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2pg3 h VAL 139 CO -0.28 0.24 0.21 0.11 0.02 0.00 0.00 177.57 177.87 2pg3 h LYS 140 N 0.75 0.41 -0.12 1.57 1.57 -1.40 0.95 116.57 120.29 2pg3 h LYS 140 Ca 0.19 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2pg3 h LYS 140 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2pg3 h LYS 140 CO -0.02 0.27 -0.01 0.00 -0.57 0.00 0.00 179.45 179.12 2pg3 h ALA 141 N 1.13 0.10 -0.69 3.86 0.00 -0.78 -1.69 119.26 121.18 2pg3 h ALA 141 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2pg3 h ALA 141 Cb -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2pg3 h ALA 141 CO -0.04 -0.47 0.40 1.25 0.00 0.00 0.00 179.25 180.39 2pg3 h LEU 142 N 0.03 0.85 -0.53 0.00 5.85 -0.72 -2.60 115.31 118.19 2pg3 h LEU 142 Ca 0.06 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2pg3 h LEU 142 Cb 0.08 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 2pg3 h LEU 142 CO -0.11 0.69 0.16 -1.13 -0.34 0.00 0.00 178.44 177.71 2pg3 h ASN 143 N 0.95 0.13 -1.00 1.25 -0.00 -0.45 0.54 115.58 116.99 2pg3 h ASN 143 Ca 0.25 0.08 0.01 0.00 -0.00 0.00 0.00 56.30 56.63 2pg3 h ASN 143 Cb 0.01 0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 38.35 2pg3 h ASN 143 CO -0.04 0.09 0.67 1.56 -0.00 0.00 0.00 177.43 179.71 2pg3 h GLN 144 N 0.32 1.31 -0.29 6.67 4.20 -1.11 -0.82 115.11 125.39 2pg3 h GLN 144 Ca 0.26 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2pg3 h GLN 144 Cb 0.32 -0.30 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2pg3 h GLN 144 CO -0.29 0.87 -0.18 0.00 -0.67 0.00 0.00 178.83 178.56 2pg3 h ALA 145 N 1.38 0.42 -0.45 3.87 0.00 -0.98 -3.16 119.26 120.33 2pg3 h ALA 145 Ca 0.37 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2pg3 h ALA 145 Cb -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pg3 h ALA 145 CO -0.09 0.34 -0.16 0.82 0.00 0.00 0.00 179.25 180.17 2pg3 h ILE 146 N 0.39 1.27 -0.70 0.00 2.04 -0.55 -0.64 117.51 119.32 2pg3 h ILE 146 Ca 0.06 -1.29 0.13 0.00 1.00 0.00 0.00 64.86 64.76 2pg3 h ILE 146 Cb 0.72 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.87 2pg3 h ILE 146 CO 0.05 0.44 0.23 0.58 0.00 0.00 0.00 178.15 179.45 2pg3 h VAL 147 N 0.73 0.63 -0.62 1.67 2.07 -1.22 0.17 116.25 119.68 2pg3 h VAL 147 Ca 0.11 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2pg3 h VAL 147 Cb 0.71 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2pg3 h VAL 147 CO 0.05 0.07 0.20 -0.07 0.02 0.00 0.00 177.57 177.84 2pg3 h LEU 148 N 0.36 0.90 -0.20 2.57 3.38 -1.43 -1.98 115.31 118.91 2pg3 h LEU 148 Ca 0.38 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2pg3 h LEU 148 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2pg3 h LEU 148 CO -0.42 0.86 -0.85 1.23 0.09 0.00 0.00 178.44 179.36 2pg3 h GLY 149 N 0.89 0.00 -0.49 0.83 0.00 0.54 -3.15 103.07 101.69 2pg3 h GLY 149 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2pg3 h GLY 149 CO -0.01 0.00 -0.44 0.29 0.00 0.00 0.00 176.54 176.39 2pg3 n ILE 150 N -3.44 0.00 -3.65 2.60 -5.35 0.40 -4.99 119.36 104.92 2pg3 n ILE 150 Ca -0.00 -0.20 -0.21 0.00 -0.27 0.00 0.00 62.75 62.07 2pg3 n ILE 150 Cb 0.83 0.93 0.05 0.00 -1.74 0.00 0.00 39.64 39.71 2pg3 n ILE 150 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pg3 n ALA 151 N -0.35 -1.94 -3.60 -1.28 0.00 -0.76 -5.01 120.51 107.58 2pg3 n ALA 151 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pg3 n ALA 151 Cb 0.42 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 2pg3 n ALA 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pg3 s ARG 152 N -5.90 0.71 -0.78 0.00 3.52 -1.11 -5.07 118.95 110.32 2pg3 s ARG 152 Ca 0.07 0.49 -0.21 0.00 -0.13 0.00 0.00 55.73 55.96 2pg3 s ARG 152 Cb -0.03 0.34 0.10 0.00 -1.56 0.00 0.00 34.95 33.80 2pg3 s ARG 152 CO 0.79 -0.16 1.02 -0.51 -0.81 0.00 0.00 175.30 175.64 2pg3 s ASP 153 N -0.38 6.38 -0.11 -2.12 1.01 -1.26 -4.40 116.67 115.79 2pg3 s ASP 153 Ca -0.02 -1.50 -0.03 0.00 0.71 0.00 0.00 52.55 51.71 2pg3 s ASP 153 Cb -0.03 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2pg3 s ASP 153 CO 0.01 -1.25 0.02 -0.63 0.21 0.00 0.00 175.17 173.53 2pg3 s ILE 154 N 3.34 4.44 0.16 0.77 1.01 -1.26 -4.91 121.20 124.76 2pg3 s ILE 154 Ca 0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 2pg3 s ILE 154 Cb -0.12 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 2pg3 s ILE 154 CO 0.01 0.57 0.49 -0.13 0.00 0.00 0.00 174.94 175.88 2pg3 s ARG 155 N -0.58 3.79 -0.23 2.79 0.52 0.14 -4.87 118.95 120.52 2pg3 s ARG 155 Ca 0.10 0.23 -0.08 0.00 -0.52 0.00 0.00 55.73 55.46 2pg3 s ARG 155 Cb -0.12 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 2pg3 s ARG 155 CO 0.02 0.43 0.08 -0.06 0.02 0.00 0.00 175.30 175.79 2pg3 s PHE 156 N -1.63 3.14 -0.06 -0.53 0.08 -1.26 -0.88 117.98 116.84 2pg3 s PHE 156 Ca 0.41 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.28 2pg3 s PHE 156 Cb -0.13 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2pg3 s PHE 156 CO 0.21 -0.18 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.78 2pg3 s GLU 157 N 1.22 2.64 -0.49 0.44 2.02 -0.30 -4.98 118.70 119.24 2pg3 s GLU 157 Ca 0.05 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.35 2pg3 s GLU 157 Cb -0.14 -2.37 0.21 0.00 0.10 0.00 0.00 34.13 31.93 2pg3 s GLU 157 CO 0.04 0.51 0.49 0.25 0.02 0.00 0.00 175.26 176.57 2pg3 n THR 158 N 2.63 0.03 0.26 3.63 -2.24 -1.26 -1.24 114.28 116.09 2pg3 n THR 158 Ca -0.17 -4.16 0.13 0.00 -2.27 0.00 0.00 64.05 57.58 2pg3 n THR 158 Cb 0.52 -1.92 0.80 0.00 -2.10 0.00 0.00 70.33 67.63 2pg3 n THR 158 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2pg3 h PRO 159 N 4.82 0.00 -3.97 -0.78 0.13 -1.89 -3.43 132.00 126.88 2pg3 h PRO 159 Ca 0.17 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.53 2pg3 h PRO 159 Cb 0.83 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.71 2pg3 h PRO 159 CO 0.54 0.00 0.31 -0.51 -0.23 0.00 0.00 178.00 178.11 2pg3 s LEU 160 N -8.21 6.40 0.00 1.56 1.43 -1.26 -4.80 118.68 113.80 2pg3 s LEU 160 Ca -0.05 -2.80 0.00 0.00 -1.03 0.00 0.00 54.13 50.25 2pg3 s LEU 160 Cb 0.16 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2pg3 s LEU 160 CO 0.60 -0.59 0.00 0.79 0.23 0.00 0.00 176.35 177.38 2pg3 n TRP 162 N 4.12 0.00 -4.08 0.29 7.02 -1.26 -4.54 117.44 118.99 2pg3 n TRP 162 Ca 0.18 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.33 2pg3 n TRP 162 Cb 0.46 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.28 2pg3 n TRP 162 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2pg3 s LEU 163 N 0.00 3.96 0.69 -0.99 1.02 -1.26 -5.00 118.68 117.10 2pg3 s LEU 163 Ca 0.00 0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.33 2pg3 s LEU 163 Cb 0.00 -2.26 0.11 0.00 0.02 0.00 0.00 46.19 44.05 2pg3 s LEU 163 CO 0.00 0.29 0.96 0.54 0.02 0.00 0.00 176.35 178.15 2pg3 s ASN 164 N -1.65 4.54 0.34 2.29 2.20 -1.26 -4.70 114.94 116.69 2pg3 s ASN 164 Ca 0.22 -0.23 0.05 0.00 -0.94 0.00 0.00 52.86 51.96 2pg3 s ASN 164 Cb -0.12 -0.26 0.61 0.00 -2.00 0.00 0.00 41.25 39.47 2pg3 s ASN 164 CO 0.13 -1.72 1.86 0.50 -2.94 0.00 0.00 177.10 174.93 2pg3 h LYS 165 N -0.44 0.47 -0.55 3.55 1.63 -1.94 -2.21 116.57 117.09 2pg3 h LYS 165 Ca -0.38 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.27 2pg3 h LYS 165 Cb 1.28 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 2pg3 h LYS 165 CO 0.44 0.54 0.18 0.00 -3.45 0.00 0.00 179.45 177.16 2pg3 h ALA 166 N 1.50 0.72 -0.05 5.00 0.00 -1.92 -1.54 119.26 122.97 2pg3 h ALA 166 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2pg3 h ALA 166 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pg3 h ALA 166 CO 0.02 0.37 -0.26 0.93 0.00 0.00 0.00 179.25 180.30 2pg3 h GLU 167 N 0.76 0.09 -0.40 0.00 5.08 -1.80 -1.66 114.58 116.64 2pg3 h GLU 167 Ca 0.18 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 2pg3 h GLU 167 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2pg3 h GLU 167 CO -0.01 0.35 -0.36 1.15 -1.00 0.00 0.00 179.01 179.15 2pg3 h THR 168 N 0.08 1.27 -0.63 1.13 2.02 -0.96 -0.59 112.91 115.23 2pg3 h THR 168 Ca 0.01 -1.53 -0.05 0.00 0.77 0.00 0.00 66.41 65.61 2pg3 h THR 168 Cb 0.52 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2pg3 h THR 168 CO 0.04 0.52 0.19 -0.50 0.37 0.00 0.00 175.52 176.14 2pg3 h TRP 169 N 0.78 0.97 -0.58 3.16 4.06 -1.07 -2.42 115.95 120.86 2pg3 h TRP 169 Ca 0.07 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2pg3 h TRP 169 Cb 0.96 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 2pg3 h TRP 169 CO 0.06 0.78 0.27 0.00 -3.56 0.00 0.00 178.44 176.00 2pg3 h ALA 170 N 1.29 0.74 -0.41 1.49 0.00 -0.76 -1.96 119.26 119.66 2pg3 h ALA 170 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2pg3 h ALA 170 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pg3 h ALA 170 CO -0.01 0.31 0.26 1.25 0.00 0.00 0.00 179.25 181.06 2pg3 h LEU 171 N 0.78 0.45 -0.23 0.00 5.85 -0.92 0.38 115.31 121.62 2pg3 h LEU 171 Ca 0.20 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2pg3 h LEU 171 Cb 0.12 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2pg3 h LEU 171 CO -0.02 0.32 -0.10 0.00 -0.34 0.00 0.00 178.44 178.30 2pg3 h ALA 172 N 1.16 0.10 -1.00 1.25 0.00 -1.31 -2.46 119.26 117.00 2pg3 h ALA 172 Ca 0.15 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2pg3 h ALA 172 Cb -0.05 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2pg3 h ALA 172 CO -0.04 -0.51 0.65 0.22 0.00 0.00 0.00 179.25 179.56 2pg3 h ASP 173 N -0.06 1.03 -0.84 0.00 3.58 -0.68 -1.36 116.42 118.09 2pg3 h ASP 173 Ca 0.12 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.69 2pg3 h ASP 173 Cb 0.25 -0.21 -0.08 0.00 1.72 0.00 0.00 39.33 41.01 2pg3 h ASP 173 CO -0.27 0.65 0.47 0.22 -2.88 0.00 0.00 179.24 177.43 2pg3 h TYR 174 N 1.17 0.85 -0.21 0.28 3.20 0.18 0.60 116.97 123.04 2pg3 h TYR 174 Ca 0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.34 2pg3 h TYR 174 Cb 0.18 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2pg3 h TYR 174 CO -0.00 0.31 0.00 0.66 -1.64 0.00 0.00 178.16 177.49 2pg3 n TYR 175 N -4.77 0.43 -2.90 -3.82 4.01 -0.91 -4.90 117.16 104.29 2pg3 n TYR 175 Ca 0.15 -0.18 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 2pg3 n TYR 175 Cb 0.32 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.30 2pg3 n TYR 175 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2pg3 n GLN 176 N 0.18 -4.13 -1.15 -0.72 6.02 0.20 -4.93 117.38 112.85 2pg3 n GLN 176 Ca 0.08 0.73 0.04 0.00 -0.01 0.00 0.00 57.00 57.84 2pg3 n GLN 176 Cb 0.32 -5.22 0.05 0.00 1.02 0.00 0.00 30.24 26.42 2pg3 n GLN 176 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pg3 n GLN 177 N -3.43 0.33 -0.15 -1.09 6.02 -0.56 -4.86 117.38 113.63 2pg3 n GLN 177 Ca -0.08 -2.12 -0.04 0.00 -0.01 0.00 0.00 57.00 54.75 2pg3 n GLN 177 Cb 0.59 -0.41 0.05 0.00 1.02 0.00 0.00 30.24 31.49 2pg3 n GLN 177 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2pg3 h LEU 178 N 0.83 0.24 -1.40 1.08 6.46 -1.86 -2.27 115.31 118.38 2pg3 h LEU 178 Ca -0.15 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2pg3 h LEU 178 Cb 1.64 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.55 2pg3 h LEU 178 CO 0.07 0.17 0.30 0.44 -0.62 0.00 0.00 178.44 178.79 2pg3 h ASP 179 N 0.39 0.62 -0.20 1.25 3.32 -1.94 0.19 116.42 120.05 2pg3 h ASP 179 Ca 0.21 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.24 2pg3 h ASP 179 Cb 0.18 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2pg3 h ASP 179 CO -0.19 0.49 0.08 0.74 -1.72 0.00 0.00 179.24 178.64 2pg3 h THR 180 N 0.71 0.97 -0.26 0.35 2.02 -1.79 -1.29 112.91 113.63 2pg3 h THR 180 Ca 0.19 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2pg3 h THR 180 Cb -0.00 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2pg3 h THR 180 CO -0.03 0.03 0.14 0.58 0.37 0.00 0.00 175.52 176.61 2pg3 h VAL 181 N 0.18 1.13 -0.83 3.16 2.07 -1.22 -1.79 116.25 118.94 2pg3 h VAL 181 Ca 0.08 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2pg3 h VAL 181 Cb 0.04 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2pg3 h VAL 181 CO -0.07 0.13 0.47 -0.09 0.02 0.00 0.00 177.57 178.02 2pg3 h ARG 182 N 0.30 1.15 0.02 1.57 2.43 -0.40 -3.03 114.38 116.42 2pg3 h ARG 182 Ca 0.09 -0.13 -0.33 0.00 -0.81 0.00 0.00 59.98 58.80 2pg3 h ARG 182 Cb 0.08 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 2pg3 h ARG 182 CO -0.01 0.84 -1.99 0.66 -1.51 0.00 0.00 179.97 177.96 2pg3 n TYR 183 N -4.40 0.70 0.11 2.20 4.02 -0.51 -3.88 117.16 115.40 2pg3 n TYR 183 Ca 0.08 0.23 0.03 0.00 -0.01 0.00 0.00 57.90 58.23 2pg3 n TYR 183 Cb 0.08 -1.12 0.04 0.00 -0.02 0.00 0.00 39.34 38.33 2pg3 n TYR 183 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2pg3 n HIS 184 N -3.04 0.09 -3.50 -0.72 8.25 -0.67 -3.73 115.22 111.90 2pg3 n HIS 184 Ca -0.25 -0.20 -0.20 0.00 -0.26 0.00 0.00 57.72 56.81 2pg3 n HIS 184 Cb 1.08 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 32.15 2pg3 n HIS 184 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2pg3 s THR 185 N -0.68 2.99 -0.26 1.59 -4.23 -1.15 -4.91 115.64 108.99 2pg3 s THR 185 Ca 0.09 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2pg3 s THR 185 Cb 0.05 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.90 2pg3 s THR 185 CO 0.07 -0.04 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.87 2pg3 s LEU 186 N -4.15 2.84 -0.12 4.79 2.96 -0.48 -0.17 118.68 124.35 2pg3 s LEU 186 Ca 0.48 -1.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.09 2pg3 s LEU 186 Cb -0.05 -1.21 -0.12 0.00 0.50 0.00 0.00 46.19 45.31 2pg3 s LEU 186 CO 0.29 -0.28 -0.02 0.41 -1.32 0.00 0.00 176.35 175.43 2pg3 n THR 187 N 4.63 0.77 -1.74 3.68 -1.04 -1.26 -3.75 114.28 115.57 2pg3 n THR 187 Ca -0.09 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.05 61.11 2pg3 n THR 187 Cb 0.43 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2pg3 n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pg3 h TYR 189 N 2.58 0.00 -0.41 0.00 0.05 -1.95 -3.06 116.97 114.19 2pg3 h TYR 189 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2pg3 h TYR 189 Cb 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2pg3 h TYR 189 CO 0.51 0.32 0.00 0.09 -1.05 0.00 0.00 178.16 178.03 2pg3 n ASN 190 N -3.33 2.63 0.00 3.88 3.02 -1.26 -4.93 115.26 115.27 2pg3 n ASN 190 Ca 0.01 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 2pg3 n ASN 190 Cb 0.55 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2pg3 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pg3 n GLY 191 N 0.99 0.54 3.61 7.41 0.00 -1.16 -5.02 105.19 111.57 2pg3 n GLY 191 Ca 0.15 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2pg3 n GLY 191 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pg3 s ILE 192 N -2.00 5.25 0.74 -0.61 1.01 -1.26 -5.04 121.20 119.29 2pg3 s ILE 192 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2pg3 s ILE 192 Cb 0.00 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 39.03 2pg3 s ILE 192 CO 0.00 0.30 1.08 -0.54 0.00 0.00 0.00 174.94 175.78 2pg3 s LYS 193 N 1.42 2.53 6.97 2.79 1.02 -1.26 -3.98 119.74 129.23 2pg3 s LYS 193 Ca 0.07 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.16 2pg3 s LYS 193 Cb -0.15 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2pg3 s LYS 193 CO 0.08 -1.42 0.00 0.41 -0.92 0.00 0.00 175.35 173.49 2pg3 n GLY 194 N -1.46 1.82 0.05 -3.33 0.00 0.76 -2.37 105.19 100.67 2pg3 n GLY 194 Ca 0.09 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.78 2pg3 n GLY 194 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pg3 n ASP 195 N 6.63 0.29 -0.14 1.61 9.92 -1.25 -4.61 116.55 129.00 2pg3 n ASP 195 Ca 0.00 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 2pg3 n ASP 195 Cb 0.00 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 2pg3 n ASP 195 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pg3 n GLY 196 N 0.32 -1.05 0.28 0.44 0.00 -1.00 -3.45 105.19 100.73 2pg3 n GLY 196 Ca 0.04 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 45.05 2pg3 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pg3 n GLY 198 N -0.22 1.06 0.20 0.00 0.00 -1.22 -4.82 105.19 100.18 2pg3 n GLY 198 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2pg3 n GLY 198 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pg3 n GLN 199 N -2.00 2.82 -4.45 1.61 6.02 -1.26 -4.70 117.38 115.43 2pg3 n GLN 199 Ca 0.00 -1.78 -0.26 0.00 -0.01 0.00 0.00 57.00 54.96 2pg3 n GLN 199 Cb 0.00 -1.14 -0.10 0.00 1.02 0.00 0.00 30.24 30.02 2pg3 n GLN 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pg3 h ALA 201 N 1.81 0.30 -0.40 0.00 0.00 -1.99 -0.50 119.26 118.47 2pg3 h ALA 201 Ca -0.43 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2pg3 h ALA 201 Cb 1.25 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2pg3 h ALA 201 CO 0.72 -0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.41 2pg3 h ALA 202 N 1.35 1.00 -0.71 0.00 0.00 -1.96 -1.55 119.26 117.39 2pg3 h ALA 202 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2pg3 h ALA 202 Cb 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2pg3 h ALA 202 CO -0.34 0.60 0.40 0.00 0.00 0.00 0.00 179.25 179.90 2pg3 h HIS 204 N 0.97 -0.10 -0.09 0.00 3.86 -0.59 -0.94 115.15 118.25 2pg3 h HIS 204 Ca 0.25 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.50 2pg3 h HIS 204 Cb 0.02 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 2pg3 h HIS 204 CO -0.01 0.08 -0.21 -0.07 0.86 0.00 0.00 177.93 178.59 2pg3 h LEU 205 N -0.27 -0.64 -1.07 2.43 4.07 -1.30 0.56 115.31 119.10 2pg3 h LEU 205 Ca -0.01 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 2pg3 h LEU 205 Cb 0.23 0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 2pg3 h LEU 205 CO 0.02 -0.26 0.49 -0.09 -1.08 0.00 0.00 178.44 177.52 2pg3 h ARG 206 N -0.29 1.13 0.06 1.13 2.43 -1.43 -2.28 114.38 115.14 2pg3 h ARG 206 Ca 0.09 -0.11 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 2pg3 h ARG 206 Cb 0.41 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2pg3 h ARG 206 CO -0.26 0.80 -1.07 0.00 -1.51 0.00 0.00 179.97 177.93 2pg3 h ALA 207 N 1.39 0.28 -0.25 2.80 0.00 -0.70 -1.63 119.26 121.15 2pg3 h ALA 207 Ca 0.30 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2pg3 h ALA 207 Cb -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pg3 h ALA 207 CO -0.05 1.01 0.15 -0.91 0.00 0.00 0.00 179.25 179.44 2pg3 h ASN 208 N 0.08 0.30 0.04 0.00 2.35 -0.81 -1.46 115.58 116.08 2pg3 h ASN 208 Ca -0.08 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2pg3 h ASN 208 Cb 1.78 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 40.04 2pg3 h ASN 208 CO 0.17 0.27 -0.21 1.23 -1.65 0.00 0.00 177.43 177.24 2pg3 h GLY 209 N 0.31 -0.32 1.01 2.83 0.00 -1.35 0.35 103.07 105.91 2pg3 h GLY 209 Ca 0.09 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.67 2pg3 h GLY 209 CO -0.02 -0.19 0.52 -2.00 0.00 0.00 0.00 176.54 174.86 2pg3 h LEU 210 N -0.35 0.91 -0.65 3.11 5.85 -1.23 -1.50 115.31 121.46 2pg3 h LEU 210 Ca 0.05 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2pg3 h LEU 210 Cb 0.41 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2pg3 h LEU 210 CO -0.17 0.66 -0.37 0.00 -0.34 0.00 0.00 178.44 178.22 2pg3 h ALA 211 N 1.29 0.82 -0.52 1.25 0.00 -0.84 -1.81 119.26 119.45 2pg3 h ALA 211 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2pg3 h ALA 211 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2pg3 h ALA 211 CO -0.06 0.64 0.20 1.96 0.00 0.00 0.00 179.25 182.00 2pg3 h GLN 212 N 0.53 0.78 -0.26 0.00 4.20 -0.59 -2.06 115.11 117.72 2pg3 h GLN 212 Ca 0.05 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2pg3 h GLN 212 Cb 0.89 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 2pg3 h GLN 212 CO 0.08 0.69 0.06 -0.92 -0.67 0.00 0.00 178.83 178.07 2pg3 h TYR 213 N 0.70 0.37 0.21 2.96 3.20 -1.08 -1.16 116.97 122.17 2pg3 h TYR 213 Ca 0.17 -0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.71 2pg3 h TYR 213 Cb 0.20 -0.11 0.03 0.00 1.54 0.00 0.00 36.73 38.39 2pg3 h TYR 213 CO 0.01 0.33 -1.40 1.96 -1.64 0.00 0.00 178.16 177.42 2pg3 h GLN 214 N 0.37 0.47 0.11 1.82 4.20 -1.07 -2.86 115.11 118.15 2pg3 h GLN 214 Ca 0.09 -0.79 -0.01 0.00 0.06 0.00 0.00 58.65 58.00 2pg3 h GLN 214 Cb 0.15 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2pg3 h GLN 214 CO -0.00 1.38 -0.06 0.87 -0.67 0.00 0.00 178.83 180.35 2pg3 h LYS 215 N 0.14 -0.15 -2.18 1.46 1.57 -1.22 -3.38 116.57 112.81 2pg3 h LYS 215 Ca -0.22 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.01 2pg3 h LYS 215 Cb 2.10 0.03 -0.41 0.00 0.08 0.00 0.00 32.23 34.03 2pg3 h LYS 215 CO 0.25 0.02 -0.80 -0.25 -0.57 0.00 0.00 179.45 178.11 2pg3 n ASP 216 N -5.09 3.14 0.04 0.86 9.92 -0.45 -4.96 116.55 120.01 2pg3 n ASP 216 Ca -0.08 -3.40 -0.13 0.00 -0.53 0.00 0.00 54.79 50.65 2pg3 n ASP 216 Cb 0.14 -0.60 -0.09 0.00 -0.64 0.00 0.00 41.12 39.93 2pg3 n ASP 216 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pg3 h ALA 217 N 3.29 -0.09 -0.93 2.24 0.00 -1.69 -2.16 119.26 119.91 2pg3 h ALA 217 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pg3 h ALA 217 Cb 0.67 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2pg3 h ALA 217 CO 0.72 -0.38 0.58 0.00 0.00 0.00 0.00 179.25 180.17 2pg3 h ALA 218 N 0.47 1.28 -0.43 0.00 0.00 -1.93 -2.65 119.26 116.00 2pg3 h ALA 218 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2pg3 h ALA 218 Cb 0.38 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pg3 h ALA 218 CO 0.01 0.64 -0.07 1.15 0.00 0.00 0.00 179.25 180.99 2pg3 h THR 219 N 1.28 1.27 0.00 0.00 2.02 -1.94 0.61 112.91 116.14 2pg3 h THR 219 Ca 0.34 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2pg3 h THR 219 Cb -0.09 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2pg3 h THR 219 CO -0.07 0.39 0.00 0.52 0.37 0.00 0.00 175.52 176.74 2pg3 n VAL 220 N -4.33 0.30 0.00 3.16 0.31 -0.83 -1.21 118.33 115.74 2pg3 n VAL 220 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pg3 n VAL 220 Cb 0.35 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2pg3 n VAL 220 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pg3 n ALA 222 N 0.41 0.00 -0.20 3.52 0.00 0.20 -0.35 120.51 124.09 2pg3 n ALA 222 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2pg3 n ALA 222 Cb 0.24 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.78 2pg3 n ALA 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pg3 h SER 223 N 0.00 0.29 0.67 0.00 0.87 -1.41 -1.45 113.55 112.51 2pg3 h SER 223 Ca 0.00 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2pg3 h SER 223 Cb 0.00 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2pg3 h SER 223 CO 0.00 0.18 -0.38 0.25 -0.53 0.00 0.00 176.83 176.35 2pg3 h LEU 224 N 0.45 -0.94 -0.55 2.23 5.85 -0.97 -2.52 115.31 118.86 2pg3 h LEU 224 Ca 0.29 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.16 2pg3 h LEU 224 Cb 0.31 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 2pg3 h LEU 224 CO -0.26 -0.61 0.07 0.11 -0.34 0.00 0.00 178.44 177.41 2pg3 h LYS 225 N -0.98 0.19 -0.90 1.25 1.57 -1.78 -1.01 116.57 114.91 2pg3 h LYS 225 Ca -0.09 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2pg3 h LYS 225 Cb 0.78 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.98 2pg3 h LYS 225 CO 0.11 0.13 0.58 0.37 -0.57 0.00 0.00 179.45 180.06 2pg3 h GLN 226 N 0.20 0.79 0.00 3.15 -0.00 -1.16 -2.31 115.11 115.77 2pg3 h GLN 226 Ca 0.28 -0.05 -0.23 0.00 -0.00 0.00 0.00 58.65 58.65 2pg3 h GLN 226 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.68 2pg3 h GLN 226 CO -0.40 0.52 -1.18 0.87 0.00 0.00 0.00 178.83 178.64 2pg3 h LYS 227 N 0.81 0.00 -0.00 1.69 1.57 -0.75 -3.39 116.57 116.50 2pg3 h LYS 227 Ca 0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2pg3 h LYS 227 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2pg3 h LYS 227 CO -0.20 0.88 -0.22 1.55 -0.57 0.00 0.00 179.45 180.89 2pg3 n VAL 228 N -3.28 0.00 0.00 0.50 3.14 -0.98 -5.07 118.33 112.64 2pg3 n VAL 228 Ca -0.04 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 2pg3 n VAL 228 Cb 0.97 1.05 0.00 0.00 -1.06 0.00 0.00 33.84 34.80 2pg3 n VAL 228 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pg3 n GLY 229 N 0.93 0.70 2.98 7.55 0.00 -0.89 -5.08 105.19 111.38 2pg3 n GLY 229 Ca 0.02 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2pg3 n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36