#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg1 s PHE 10 N 0.00 3.33 -0.38 0.00 5.36 -1.26 -5.06 117.98 119.97 2pg1 s PHE 10 Ca 0.00 -1.54 -0.20 0.00 -0.96 0.00 0.00 56.93 54.23 2pg1 s PHE 10 Cb 0.00 -2.73 0.01 0.00 -0.34 0.00 0.00 43.02 39.95 2pg1 s PHE 10 CO 0.00 -0.81 0.59 0.42 -1.46 0.00 0.00 175.22 173.96 2pg1 s ILE 11 N 1.40 4.92 0.25 3.12 1.09 -1.26 -4.87 121.20 125.85 2pg1 s ILE 11 Ca 0.02 0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.88 2pg1 s ILE 11 Cb -0.22 -4.07 0.15 0.00 -1.06 0.00 0.00 42.46 37.26 2pg1 s ILE 11 CO 0.02 -0.36 1.80 1.62 -0.10 0.00 0.00 174.94 177.92 2pg1 h VAL 12 N 5.71 1.24 -0.27 2.92 3.04 -1.97 -2.64 116.25 124.28 2pg1 h VAL 12 Ca -0.27 -0.83 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 2pg1 h VAL 12 Cb 1.11 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 2pg1 h VAL 12 CO 0.83 0.32 0.03 0.44 -1.01 0.00 0.00 177.57 178.19 2pg1 h ASP 13 N 0.99 0.37 0.75 3.17 3.32 -1.98 -1.06 116.42 121.97 2pg1 h ASP 13 Ca 0.22 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 2pg1 h ASP 13 Cb 0.26 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.73 2pg1 h ASP 13 CO -0.01 0.41 -0.36 0.44 -1.72 0.00 0.00 179.24 177.99 2pg1 h ASP 14 N 0.39 -0.86 -0.88 6.45 5.19 -1.90 -2.90 116.42 121.92 2pg1 h ASP 14 Ca 0.09 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2pg1 h ASP 14 Cb 0.21 0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.90 2pg1 h ASP 14 CO 0.00 -0.50 0.55 -0.37 -3.12 0.00 0.00 179.24 175.81 2pg1 h VAL 15 N -1.22 1.24 -0.89 -1.35 -1.51 -1.40 -2.05 116.25 109.06 2pg1 h VAL 15 Ca -0.10 -0.48 0.07 0.00 -1.23 0.00 0.00 66.70 64.96 2pg1 h VAL 15 Cb 0.79 -0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.85 2pg1 h VAL 15 CO 0.17 0.24 0.55 -1.28 -1.23 0.00 0.00 177.57 176.02 2pg1 h SER 16 N 1.21 0.87 -0.47 4.19 0.87 -1.23 0.73 113.55 119.71 2pg1 h SER 16 Ca 0.32 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 2pg1 h SER 16 Cb -0.09 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 2pg1 h SER 16 CO -0.06 0.54 0.15 0.50 -0.53 0.00 0.00 176.83 177.43 2pg1 h LYS 17 N 1.00 0.73 -0.41 2.24 3.64 -1.17 -1.69 116.57 120.90 2pg1 h LYS 17 Ca 0.39 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2pg1 h LYS 17 Cb 0.20 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2pg1 h LYS 17 CO -0.18 0.69 0.24 1.15 -2.27 0.00 0.00 179.45 179.08 2pg1 h THR 18 N 0.63 1.14 0.70 1.00 2.02 -0.75 -1.78 112.91 115.87 2pg1 h THR 18 Ca 0.15 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2pg1 h THR 18 Cb 0.26 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2pg1 h THR 18 CO -0.01 0.14 -0.50 0.40 0.37 0.00 0.00 175.52 175.92 2pg1 h ILE 19 N 0.54 0.00 -0.81 3.11 1.08 -0.71 -0.30 117.51 120.42 2pg1 h ILE 19 Ca 0.15 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.77 2pg1 h ILE 19 Cb 0.01 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.67 2pg1 h ILE 19 CO -0.03 0.00 0.36 0.11 -0.69 0.00 0.00 178.15 177.90 2pg1 h LYS 20 N -1.15 0.48 -0.29 2.37 1.57 -1.26 0.88 116.57 119.17 2pg1 h LYS 20 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2pg1 h LYS 20 Cb 0.95 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2pg1 h LYS 20 CO 0.05 0.32 0.12 0.93 -0.57 0.00 0.00 179.45 180.30 2pg1 h GLU 21 N 0.50 0.43 -0.82 3.15 5.08 -1.07 -1.26 114.58 120.59 2pg1 h GLU 21 Ca 0.45 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.80 2pg1 h GLU 21 Cb 0.70 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2pg1 h GLU 21 CO -0.41 0.44 0.54 0.00 -1.00 0.00 0.00 179.01 178.57 2pg1 h ALA 22 N 0.97 1.58 0.22 3.43 0.00 0.54 0.17 119.26 126.16 2pg1 h ALA 22 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pg1 h ALA 22 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2pg1 h ALA 22 CO -0.01 0.31 -0.11 0.82 0.00 0.00 0.00 179.25 180.26 2pg1 h ILE 23 N 0.93 0.85 -0.28 0.00 1.08 -0.39 -2.57 117.51 117.13 2pg1 h ILE 23 Ca 0.35 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2pg1 h ILE 23 Cb 0.18 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2pg1 h ILE 23 CO -0.12 0.11 0.12 -0.08 -0.69 0.00 0.00 178.15 177.49 2pg1 h GLU 24 N -0.55 0.26 -0.76 2.37 4.57 -0.63 0.33 114.58 120.18 2pg1 h GLU 24 Ca -0.03 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 2pg1 h GLU 24 Cb 0.40 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 2pg1 h GLU 24 CO 0.05 0.17 0.50 1.15 -1.18 0.00 0.00 179.01 179.70 2pg1 h THR 25 N 0.27 0.96 0.01 0.32 2.02 -0.71 -0.55 112.91 115.23 2pg1 h THR 25 Ca 0.12 -0.24 -0.27 0.00 0.77 0.00 0.00 66.41 66.79 2pg1 h THR 25 Cb 0.05 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 2pg1 h THR 25 CO -0.09 0.13 -1.46 0.41 0.37 0.00 0.00 175.52 174.87 2pg1 n THR 26 N -4.50 1.56 0.15 3.16 -1.04 -0.97 -4.70 114.28 107.94 2pg1 n THR 26 Ca 0.12 -0.13 0.02 0.00 -2.04 0.00 0.00 64.05 62.02 2pg1 n THR 26 Cb 0.31 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 2pg1 n THR 26 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2pg1 n ILE 27 N -4.30 0.00 -1.62 12.58 -5.35 0.07 -4.98 119.36 115.75 2pg1 n ILE 27 Ca -0.34 -0.42 -0.48 0.00 -0.27 0.00 0.00 62.75 61.24 2pg1 n ILE 27 Cb 0.74 0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 39.58 2pg1 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pg1 n GLY 28 N 1.10 1.19 1.14 3.28 0.00 -0.21 -1.64 105.19 110.04 2pg1 n GLY 28 Ca 0.01 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2pg1 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pg1 n GLY 29 N 5.02 0.71 3.34 -0.02 0.00 -1.26 -4.89 105.19 108.08 2pg1 n GLY 29 Ca 0.27 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 2pg1 n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pg1 s ASN 30 N -2.57 1.76 0.22 1.61 -0.87 -0.65 -5.16 114.94 109.28 2pg1 s ASN 30 Ca 0.00 -1.27 0.09 0.00 -1.57 0.00 0.00 52.86 50.11 2pg1 s ASN 30 Cb 0.00 0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.22 2pg1 s ASN 30 CO 0.00 -0.57 -0.07 0.00 -2.57 0.00 0.00 177.10 173.90 2pg1 s ALA 31 N -3.47 3.02 0.21 0.60 0.00 -1.26 -4.84 121.76 116.01 2pg1 s ALA 31 Ca 0.31 -1.58 -0.32 0.00 0.00 0.00 0.00 51.96 50.37 2pg1 s ALA 31 Cb 0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 23.12 22.33 2pg1 s ALA 31 CO 0.10 0.37 1.40 0.98 0.00 0.00 0.00 175.76 178.62 2pg1 n TYR 32 N -0.39 2.03 -3.37 0.00 9.36 -1.26 -4.96 117.16 118.56 2pg1 n TYR 32 Ca -0.08 0.45 -0.15 0.00 3.32 0.00 0.00 57.90 61.43 2pg1 n TYR 32 Cb 0.57 -2.44 -0.08 0.00 -0.63 0.00 0.00 39.34 36.75 2pg1 n TYR 32 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2pg1 s GLN 33 N -0.09 0.39 0.02 2.98 -0.21 -1.26 -5.08 119.66 116.42 2pg1 s GLN 33 Ca 0.72 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.86 2pg1 s GLN 33 Cb -0.70 -0.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.72 2pg1 s GLN 33 CO 0.47 -1.06 0.38 1.58 -2.12 0.00 0.00 175.29 174.55 2pg1 n HIS 34 N 5.15 -0.06 0.34 0.91 -0.00 -1.26 -0.20 115.22 120.10 2pg1 n HIS 34 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2pg1 n HIS 34 Cb 0.47 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 2pg1 n HIS 34 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2pg1 n ASP 35 N -3.19 3.38 0.00 0.26 5.68 -1.26 -2.49 116.55 118.93 2pg1 n ASP 35 Ca 0.00 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 2pg1 n ASP 35 Cb 0.03 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 2pg1 n ASP 35 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2pg1 n LYS 36 N 0.98 4.15 -0.10 0.11 5.02 0.72 -4.86 118.16 124.18 2pg1 n LYS 36 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2pg1 n LYS 36 Cb 0.43 -0.42 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 2pg1 n LYS 36 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pg1 h VAL 37 N 0.00 1.27 -0.22 -0.18 2.07 -1.16 -2.28 116.25 115.76 2pg1 h VAL 37 Ca 0.00 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 2pg1 h VAL 37 Cb 0.00 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2pg1 h VAL 37 CO 0.00 0.44 0.06 0.78 0.02 0.00 0.00 177.57 178.87 2pg1 h ASN 38 N 0.72 0.27 -0.06 0.57 2.35 -1.88 -0.25 115.58 117.30 2pg1 h ASN 38 Ca 0.10 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.65 2pg1 h ASN 38 Cb 0.71 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 2pg1 h ASN 38 CO 0.05 0.28 -0.60 -1.13 -1.65 0.00 0.00 177.43 174.38 2pg1 h ASN 39 N 0.30 0.76 -0.18 5.81 -1.24 -1.83 -3.17 115.58 116.04 2pg1 h ASN 39 Ca 0.08 -0.43 -0.02 0.00 0.71 0.00 0.00 56.30 56.63 2pg1 h ASN 39 Cb 0.12 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2pg1 h ASN 39 CO -0.00 1.18 0.01 -0.50 -1.29 0.00 0.00 177.43 176.83 2pg1 h TRP 40 N 0.50 0.33 -0.97 0.67 6.55 -0.53 -2.12 115.95 120.37 2pg1 h TRP 40 Ca -0.00 -0.05 0.01 0.00 0.95 0.00 0.00 58.89 59.80 2pg1 h TRP 40 Cb 1.18 -0.09 -0.05 0.00 -0.86 0.00 0.00 29.16 29.35 2pg1 h TRP 40 CO 0.06 0.49 0.65 1.79 -1.05 0.00 0.00 178.44 180.37 2pg1 h THR 41 N 0.07 1.25 -0.69 1.49 1.35 -1.27 -0.86 112.91 114.25 2pg1 h THR 41 Ca 0.05 -0.45 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 2pg1 h THR 41 Cb 0.35 -0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 66.55 2pg1 h THR 41 CO 0.01 0.24 0.34 1.23 -0.25 0.00 0.00 175.52 177.09 2pg1 h GLY 42 N 1.32 1.06 0.81 5.82 0.00 -1.50 -1.59 103.07 108.98 2pg1 h GLY 42 Ca 0.36 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2pg1 h GLY 42 CO -0.08 0.49 -0.07 1.46 0.00 0.00 0.00 176.54 178.35 2pg1 h GLN 43 N 0.96 -0.18 -1.01 4.80 4.20 -0.73 0.19 115.11 123.34 2pg1 h GLN 43 Ca 0.24 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.13 2pg1 h GLN 43 Cb 0.10 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.82 2pg1 h GLN 43 CO -0.03 0.04 0.62 0.28 -0.67 0.00 0.00 178.83 179.07 2pg1 h VAL 44 N -0.38 0.76 -0.17 -0.54 2.07 -1.05 0.72 116.25 117.67 2pg1 h VAL 44 Ca -0.02 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2pg1 h VAL 44 Cb 0.30 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2pg1 h VAL 44 CO 0.03 0.15 -0.09 0.58 0.02 0.00 0.00 177.57 178.26 2pg1 h VAL 45 N 0.82 1.32 -0.30 2.57 2.07 -0.85 -2.31 116.25 119.57 2pg1 h VAL 45 Ca 0.56 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2pg1 h VAL 45 Cb 0.80 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2pg1 h VAL 45 CO -0.35 0.34 0.12 -0.33 0.02 0.00 0.00 177.57 177.37 2pg1 h GLU 46 N 0.02 0.45 0.08 1.57 4.39 0.26 -0.70 114.58 120.65 2pg1 h GLU 46 Ca 0.04 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2pg1 h GLU 46 Cb 0.57 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2pg1 h GLU 46 CO 0.03 0.46 -0.35 -0.97 -1.16 0.00 0.00 179.01 177.02 2pg1 h ASN 47 N 0.34 -1.06 -0.61 1.42 -0.73 0.39 0.34 115.58 115.67 2pg1 h ASN 47 Ca 0.10 0.11 0.09 0.00 1.87 0.00 0.00 56.30 58.47 2pg1 h ASN 47 Cb 0.18 0.39 -0.07 0.00 0.27 0.00 0.00 38.32 39.10 2pg1 h ASN 47 CO -0.01 -0.37 0.25 0.00 -0.37 0.00 0.00 177.43 176.93 2pg1 h LEU 49 N 0.45 0.69 0.22 0.00 5.85 -0.62 -1.93 115.31 119.97 2pg1 h LEU 49 Ca 0.30 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2pg1 h LEU 49 Cb 0.34 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2pg1 h LEU 49 CO -0.28 0.71 -0.11 0.74 -0.34 0.00 0.00 178.44 179.16 2pg1 h THR 50 N 0.71 0.85 -0.72 1.05 2.02 0.24 -2.23 112.91 114.84 2pg1 h THR 50 Ca 0.15 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 66.96 2pg1 h THR 50 Cb 0.31 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 2pg1 h THR 50 CO 0.00 0.10 0.43 0.58 0.37 0.00 0.00 175.52 177.00 2pg1 h VAL 51 N -0.51 1.02 -0.08 3.16 2.07 -1.34 -2.72 116.25 117.86 2pg1 h VAL 51 Ca -0.03 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 2pg1 h VAL 51 Cb 0.38 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2pg1 h VAL 51 CO 0.05 0.15 -0.35 -0.07 0.02 0.00 0.00 177.57 177.36 2pg1 h LEU 52 N 0.80 0.15 0.00 2.57 3.38 -1.31 -3.23 115.31 117.67 2pg1 h LEU 52 Ca 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2pg1 h LEU 52 Cb 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2pg1 h LEU 52 CO -0.16 0.50 -0.35 0.71 0.09 0.00 0.00 178.44 179.23 2pg1 h THR 53 N 0.13 0.00 0.02 0.22 1.35 -1.08 -3.38 112.91 110.17 2pg1 h THR 53 Ca 0.02 -0.97 0.01 0.00 -0.55 0.00 0.00 66.41 64.92 2pg1 h THR 53 Cb 0.69 1.79 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 2pg1 h THR 53 CO 0.05 0.00 -0.40 0.11 -0.25 0.00 0.00 175.52 175.03 2pg1 h LYS 54 N 0.00 -0.50 -3.02 4.72 1.57 -1.54 -2.95 116.57 114.85 2pg1 h LYS 54 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2pg1 h LYS 54 Cb 0.99 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2pg1 h LYS 54 CO 0.00 -0.33 0.47 -1.91 -0.57 0.00 0.00 179.45 177.11 2pg1 n GLU 55 N -4.69 0.00 -0.09 3.15 0.00 -1.26 -4.79 120.64 112.95 2pg1 n GLU 55 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.10 2pg1 n GLU 55 Cb 0.30 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.30 2pg1 n GLU 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2pg1 n GLN 56 N 2.93 0.00 -2.88 5.31 -0.06 -1.12 -4.87 117.38 116.69 2pg1 n GLN 56 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 2pg1 n GLN 56 Cb 0.00 -0.09 -0.00 0.00 -4.06 0.00 0.00 30.24 26.08 2pg1 n GLN 56 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2pg1 s LYS 57 N 0.32 3.46 0.00 3.69 1.02 -1.26 -4.94 119.74 122.02 2pg1 s LYS 57 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.96 2pg1 s LYS 57 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2pg1 s LYS 57 CO 0.00 -0.13 1.04 -0.35 -0.92 0.00 0.00 175.35 175.00 2pg1 n PRO 58 N -2.12 0.84 -4.04 -1.68 -0.04 -1.26 -4.81 135.00 121.89 2pg1 n PRO 58 Ca -0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 2pg1 n PRO 58 Cb 0.56 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.88 2pg1 n PRO 58 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2pg1 s TYR 59 N 0.20 3.23 -0.02 0.54 1.51 -1.26 -0.84 117.35 120.73 2pg1 s TYR 59 Ca 0.00 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 2pg1 s TYR 59 Cb 0.00 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2pg1 s TYR 59 CO 0.00 0.53 -0.04 0.15 -1.11 0.00 0.00 175.55 175.08 2pg1 s LYS 60 N -2.62 2.70 0.03 -0.62 1.02 0.34 -4.92 119.74 115.67 2pg1 s LYS 60 Ca 0.31 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.73 2pg1 s LYS 60 Cb -0.12 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2pg1 s LYS 60 CO 0.23 0.63 -0.19 0.71 -0.92 0.00 0.00 175.35 175.81 2pg1 s TYR 61 N -0.99 1.66 -0.10 3.18 2.02 -1.26 -0.84 117.35 121.01 2pg1 s TYR 61 Ca 0.17 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2pg1 s TYR 61 Cb -0.11 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 2pg1 s TYR 61 CO 0.07 0.05 -0.11 0.42 -1.57 0.00 0.00 175.55 174.40 2pg1 s ILE 62 N -0.69 1.24 -0.13 2.71 1.01 -0.82 -4.97 121.20 119.55 2pg1 s ILE 62 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2pg1 s ILE 62 Cb -0.08 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.23 2pg1 s ILE 62 CO 0.01 0.39 -0.16 -0.69 0.00 0.00 0.00 174.94 174.49 2pg1 s VAL 63 N 1.25 1.63 -0.03 2.92 1.01 -1.26 -1.46 120.40 124.46 2pg1 s VAL 63 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2pg1 s VAL 63 Cb -0.14 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2pg1 s VAL 63 CO -0.04 0.47 -0.19 0.42 0.00 0.00 0.00 175.10 175.76 2pg1 s THR 64 N 1.09 1.53 0.34 3.92 -4.23 -0.60 -4.97 115.64 112.72 2pg1 s THR 64 Ca -0.04 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 2pg1 s THR 64 Cb -0.14 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 2pg1 s THR 64 CO -0.04 0.44 0.20 0.00 -0.54 0.00 0.00 174.62 174.67 2pg1 s ALA 65 N -0.26 2.17 0.07 3.99 0.00 -1.26 -0.84 121.76 125.63 2pg1 s ALA 65 Ca 0.03 -1.73 -0.26 0.00 0.00 0.00 0.00 51.96 50.00 2pg1 s ALA 65 Cb -0.09 1.18 0.09 0.00 0.00 0.00 0.00 23.12 24.30 2pg1 s ALA 65 CO 0.01 -0.53 1.17 0.42 0.00 0.00 0.00 175.76 176.83 2pg1 s ILE 67 N -3.45 0.00 -0.13 0.00 1.01 -1.26 -4.96 121.20 112.41 2pg1 s ILE 67 Ca 0.34 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2pg1 s ILE 67 Cb 0.03 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.86 2pg1 s ILE 67 CO 0.21 0.00 -0.15 -1.58 0.00 0.00 0.00 174.94 173.42 2pg1 s GLN 69 N -2.26 2.26 0.05 2.79 0.74 -1.26 -4.94 119.66 117.04 2pg1 s GLN 69 Ca 0.22 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.77 2pg1 s GLN 69 Cb -0.00 -2.00 -0.09 0.00 1.10 0.00 0.00 33.01 32.02 2pg1 s GLN 69 CO 0.01 -0.15 1.88 0.15 -0.55 0.00 0.00 175.29 176.63 2pg1 s LYS 70 N 1.24 4.15 -0.09 1.67 1.02 0.23 -4.76 119.74 123.20 2pg1 s LYS 70 Ca -0.01 2.55 0.07 0.00 0.02 0.00 0.00 55.97 58.60 2pg1 s LYS 70 Cb -0.14 -3.96 0.17 0.00 -0.52 0.00 0.00 37.83 33.38 2pg1 s LYS 70 CO -0.06 -0.90 1.15 -1.71 -0.92 0.00 0.00 175.35 172.91 2pg1 n ASN 71 N 6.89 -0.78 0.00 2.83 5.15 -1.26 -4.97 115.26 123.12 2pg1 n ASN 71 Ca 0.19 -2.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.12 2pg1 n ASN 71 Cb 0.40 0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 2pg1 n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pg1 n GLY 72 N -0.34 0.11 3.83 8.20 0.00 -1.26 -4.95 105.19 110.77 2pg1 n GLY 72 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2pg1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pg1 s ALA 73 N -1.28 3.00 0.32 4.61 0.00 -1.26 -5.05 121.76 122.10 2pg1 s ALA 73 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 2pg1 s ALA 73 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 2pg1 s ALA 73 CO 0.00 -0.20 0.70 0.20 0.00 0.00 0.00 175.76 176.46 2pg1 s GLY 74 N -2.65 2.21 -0.14 0.00 0.00 -1.26 -5.08 107.32 100.39 2pg1 s GLY 74 Ca 0.61 -0.11 -0.07 0.00 0.00 0.00 0.00 44.72 45.15 2pg1 s GLY 74 CO 0.25 0.07 0.32 -2.27 0.00 0.00 0.00 173.10 171.47 2pg1 s LEU 75 N -3.19 0.09 -0.02 0.66 2.96 -1.26 -5.15 118.68 112.77 2pg1 s LEU 75 Ca 0.52 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 2pg1 s LEU 75 Cb -0.10 0.99 0.01 0.00 0.50 0.00 0.00 46.19 47.59 2pg1 s LEU 75 CO 0.22 -0.19 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.76 2pg1 s HIS 76 N 1.51 0.35 0.16 5.38 5.65 -1.26 -5.15 115.29 121.92 2pg1 s HIS 76 Ca -0.08 -0.05 0.07 0.00 0.25 0.00 0.00 55.06 55.25 2pg1 s HIS 76 Cb -0.10 -0.31 -0.04 0.00 -1.18 0.00 0.00 32.58 30.95 2pg1 s HIS 76 CO -0.10 -0.06 -0.15 0.95 -0.65 0.00 0.00 174.74 174.72 2pg1 s THR 77 N 0.40 1.57 -0.07 0.89 -4.23 -1.26 -5.15 115.64 107.79 2pg1 s THR 77 Ca -0.04 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 2pg1 s THR 77 Cb -0.07 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.03 2pg1 s THR 77 CO -0.01 -0.45 0.37 0.00 -0.54 0.00 0.00 174.62 173.99 2pg1 s ALA 78 N -2.39 -0.94 0.08 3.99 0.00 -1.26 -5.18 121.76 116.07 2pg1 s ALA 78 Ca 0.15 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 2pg1 s ALA 78 Cb -0.04 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.95 2pg1 s ALA 78 CO 0.05 -0.24 0.55 -1.54 0.00 0.00 0.00 175.76 174.58 2pg1 s SER 79 N -0.75 -0.48 0.19 0.00 1.04 -1.26 -5.17 113.70 107.26 2pg1 s SER 79 Ca -0.08 0.11 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 2pg1 s SER 79 Cb -0.04 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.68 2pg1 s SER 79 CO 0.03 -0.81 0.95 -0.55 0.98 0.00 0.00 173.24 173.84 2pg1 s SER 80 N -2.26 -0.13 0.23 7.02 0.15 -1.26 -5.19 113.70 112.26 2pg1 s SER 80 Ca -0.03 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.05 2pg1 s SER 80 Cb -0.00 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 2pg1 s SER 80 CO -0.06 -1.02 0.25 0.00 1.20 0.00 0.00 173.24 173.61 2pg1 s TYR 82 N -4.01 1.88 0.00 0.00 5.04 -1.26 -5.08 117.35 113.92 2pg1 s TYR 82 Ca 0.35 -2.30 0.00 0.00 -2.44 0.00 0.00 57.07 52.68 2pg1 s TYR 82 Cb 0.04 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.54 2pg1 s TYR 82 CO 0.13 -0.80 0.00 -2.67 -1.34 0.00 0.00 175.55 170.87 2pg1 n TRP 83 N 3.73 0.00 -3.44 4.97 2.14 -1.26 -5.10 117.44 118.48 2pg1 n TRP 83 Ca 0.08 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.21 2pg1 n TRP 83 Cb 0.35 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.78 2pg1 n TRP 83 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 2pg1 s ASN 84 N 1.00 6.01 0.65 -0.67 3.84 -1.26 -4.95 114.94 119.56 2pg1 s ASN 84 Ca 0.00 -1.45 0.43 0.00 0.21 0.00 0.00 52.86 52.05 2pg1 s ASN 84 Cb 0.00 -2.13 2.31 0.00 -0.55 0.00 0.00 41.25 40.88 2pg1 s ASN 84 CO 0.00 -0.65 2.33 0.78 -2.79 0.00 0.00 177.10 176.77 2pg1 h ASN 85 N 8.67 0.00 1.13 -4.21 2.35 -1.99 0.67 115.58 122.19 2pg1 h ASN 85 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2pg1 h ASN 85 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2pg1 h ASN 85 CO 0.87 0.00 -0.56 0.44 -1.65 0.00 0.00 177.43 176.53 2pg1 h ASP 86 N 0.00 0.00 0.00 5.81 3.32 -2.04 -3.42 116.42 120.09 2pg1 h ASP 86 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2pg1 h ASP 86 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2pg1 h ASP 86 CO 0.00 0.05 -0.93 0.35 -1.72 0.00 0.00 179.24 176.99 2pg1 n THR 87 N -2.41 0.00 -2.67 0.35 -2.24 -0.73 -4.75 114.28 101.83 2pg1 n THR 87 Ca 0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 2pg1 n THR 87 Cb 0.48 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.39 2pg1 n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2pg1 s ASP 88 N -4.81 7.49 0.17 3.42 1.01 0.15 -4.22 116.67 119.88 2pg1 s ASP 88 Ca 0.00 2.03 0.03 0.00 0.71 0.00 0.00 52.55 55.32 2pg1 s ASP 88 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 2pg1 s ASP 88 CO 0.00 0.03 0.18 0.61 0.21 0.00 0.00 175.17 176.20 2pg1 n GLY 89 N 1.29 3.23 3.50 0.21 0.00 -0.86 -4.68 105.19 107.88 2pg1 n GLY 89 Ca -0.01 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 2pg1 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pg1 s SER 90 N -2.19 -0.43 -0.07 1.61 1.04 -1.26 -0.47 113.70 111.93 2pg1 s SER 90 Ca 0.19 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 2pg1 s SER 90 Cb 0.01 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2pg1 s SER 90 CO 0.14 -0.79 0.15 0.00 0.98 0.00 0.00 173.24 173.72 2pg1 s THR 92 N 1.54 2.68 -0.11 0.00 2.01 -1.26 -1.59 115.64 118.91 2pg1 s THR 92 Ca -0.05 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2pg1 s THR 92 Cb -0.12 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2pg1 s THR 92 CO -0.06 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 2pg1 s VAL 93 N -0.02 1.77 0.12 3.82 1.01 0.19 -4.98 120.40 122.31 2pg1 s VAL 93 Ca -0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2pg1 s VAL 93 Cb -0.14 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 2pg1 s VAL 93 CO 0.04 0.50 0.51 -0.13 0.00 0.00 0.00 175.10 176.02 2pg1 s ARG 94 N 0.69 3.94 0.05 2.72 0.52 -1.26 -2.11 118.95 123.49 2pg1 s ARG 94 Ca -0.12 0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 55.32 2pg1 s ARG 94 Cb -0.16 -2.97 0.04 0.00 0.52 0.00 0.00 34.95 32.38 2pg1 s ARG 94 CO 0.03 0.51 0.46 -0.46 0.02 0.00 0.00 175.30 175.85 2pg1 s TRP 95 N -1.42 -0.33 -0.12 -0.53 -0.00 -0.20 -4.99 118.94 111.36 2pg1 s TRP 95 Ca 0.36 0.30 -0.30 0.00 -0.00 0.00 0.00 56.10 56.45 2pg1 s TRP 95 Cb -0.15 0.27 0.12 0.00 -0.00 0.00 0.00 33.47 33.72 2pg1 s TRP 95 CO 0.19 -0.61 1.00 -1.83 -0.00 0.00 0.00 176.95 175.69 2pg1 s GLU 96 N -2.57 0.61 0.00 5.86 -1.05 -1.26 -0.35 118.70 119.95 2pg1 s GLU 96 Ca -0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 2pg1 s GLU 96 Cb -0.01 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2pg1 s GLU 96 CO -0.03 -0.23 0.00 0.27 0.95 0.00 0.00 175.26 176.22 2pg1 n ASN 97 N 0.30 0.00 -0.27 0.83 6.94 -1.26 -5.03 115.26 116.77 2pg1 n ASN 97 Ca -0.08 -0.66 0.06 0.00 -0.02 0.00 0.00 54.58 53.88 2pg1 n ASN 97 Cb 0.59 0.00 0.20 0.00 -2.36 0.00 0.00 39.78 38.21 2pg1 n ASN 97 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2pg1 h LYS 98 N 0.00 0.51 -0.48 -3.83 1.57 -2.02 -3.45 116.57 108.86 2pg1 h LYS 98 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2pg1 h LYS 98 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2pg1 h LYS 98 CO 0.00 0.34 0.00 0.25 -0.57 0.00 0.00 179.45 179.47 2pg1 n THR 99 N -4.94 0.95 -4.05 -0.16 -2.24 -1.26 -4.88 114.28 97.70 2pg1 n THR 99 Ca 0.15 -0.97 -0.13 0.00 -2.27 0.00 0.00 64.05 60.83 2pg1 n THR 99 Cb 0.41 0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 69.07 2pg1 n THR 99 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2pg1 s TYR 101 N -1.02 0.50 -0.00 4.78 2.02 -1.26 0.76 117.35 123.13 2pg1 s TYR 101 Ca 0.33 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2pg1 s TYR 101 Cb 0.17 -0.31 -0.00 0.00 -0.40 0.00 0.00 41.96 41.42 2pg1 s TYR 101 CO 0.23 -0.09 -0.03 0.00 -1.57 0.00 0.00 175.55 174.09 2pg1 s ILE 103 N -0.06 0.15 0.03 0.00 1.01 -1.26 -1.03 121.20 120.04 2pg1 s ILE 103 Ca 0.01 0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.96 2pg1 s ILE 103 Cb -0.01 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 2pg1 s ILE 103 CO -0.00 0.20 -0.23 -0.69 0.00 0.00 0.00 174.94 174.22 2pg1 s VAL 104 N 1.80 1.83 0.02 2.92 1.01 -0.90 -4.27 120.40 122.80 2pg1 s VAL 104 Ca 0.01 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2pg1 s VAL 104 Cb -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2pg1 s VAL 104 CO -0.04 0.33 -0.05 -0.44 0.00 0.00 0.00 175.10 174.90 2pg1 s SER 105 N -1.03 0.55 -0.01 3.32 0.01 -0.02 -0.64 113.70 115.88 2pg1 s SER 105 Ca 0.09 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.05 2pg1 s SER 105 Cb -0.09 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2pg1 s SER 105 CO 0.01 -0.11 -0.06 -0.69 0.41 0.00 0.00 173.24 172.80 2pg1 s VAL 106 N -0.80 0.50 -0.01 3.43 1.01 -0.62 -1.55 120.40 122.36 2pg1 s VAL 106 Ca -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2pg1 s VAL 106 Cb -0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2pg1 s VAL 106 CO -0.00 0.16 -0.15 -0.36 0.00 0.00 0.00 175.10 174.74 2pg1 s PHE 107 N 0.06 1.38 -0.09 5.22 0.08 -0.54 -1.45 117.98 122.65 2pg1 s PHE 107 Ca -0.00 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.81 2pg1 s PHE 107 Cb -0.05 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 2pg1 s PHE 107 CO -0.00 -0.02 -0.15 0.20 -0.10 0.00 0.00 175.22 175.14 2pg1 s GLY 108 N -0.36 0.98 -0.06 4.36 0.00 0.38 -1.94 107.32 110.68 2pg1 s GLY 108 Ca 0.06 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.18 2pg1 s GLY 108 CO -0.01 0.10 -0.12 1.08 0.00 0.00 0.00 173.10 174.15 2pg1 s LEU 109 N 0.75 1.65 0.00 0.66 1.02 -0.02 -2.03 118.68 120.71 2pg1 s LEU 109 Ca -0.12 -0.28 -0.12 0.00 0.02 0.00 0.00 54.13 53.63 2pg1 s LEU 109 Cb -0.16 -0.78 0.17 0.00 0.02 0.00 0.00 46.19 45.44 2pg1 s LEU 109 CO 0.03 0.04 0.85 0.00 0.02 0.00 0.00 176.35 177.28 2pg1 n ALA 110 N 3.74 -1.45 -0.79 4.21 0.00 -1.26 0.13 120.51 125.09 2pg1 n ALA 110 Ca -0.22 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2pg1 n ALA 110 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2pg1 n ALA 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78