#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg1 n GLN 9 N 0.00 0.43 -3.15 -1.46 6.02 -1.26 -4.85 117.38 113.11 2pg1 n GLN 9 Ca 0.00 -2.20 -0.45 0.00 -0.01 0.00 0.00 57.00 54.34 2pg1 n GLN 9 Cb 0.00 1.57 -0.03 0.00 1.02 0.00 0.00 30.24 32.80 2pg1 n GLN 9 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2pg1 s PHE 10 N -2.76 3.29 -0.31 1.08 5.36 -1.26 -5.02 117.98 118.36 2pg1 s PHE 10 Ca 0.21 -1.42 -0.27 0.00 -0.96 0.00 0.00 56.93 54.50 2pg1 s PHE 10 Cb 0.01 -4.00 0.01 0.00 -0.34 0.00 0.00 43.02 38.70 2pg1 s PHE 10 CO 0.15 -1.22 0.96 0.42 -1.46 0.00 0.00 175.22 174.07 2pg1 s ILE 11 N 1.80 4.63 0.06 3.12 1.09 -1.26 -4.93 121.20 125.70 2pg1 s ILE 11 Ca 0.18 1.51 -0.23 0.00 -1.10 0.00 0.00 60.65 61.01 2pg1 s ILE 11 Cb -0.16 -4.31 -0.15 0.00 -1.06 0.00 0.00 42.46 36.79 2pg1 s ILE 11 CO -0.02 -0.39 1.60 0.58 -0.10 0.00 0.00 174.94 176.60 2pg1 h VAL 12 N 5.68 1.14 0.00 2.92 2.07 -1.95 -2.54 116.25 123.56 2pg1 h VAL 12 Ca -0.22 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2pg1 h VAL 12 Cb 1.07 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2pg1 h VAL 12 CO 0.97 0.11 -0.07 0.44 0.02 0.00 0.00 177.57 179.04 2pg1 h ASP 13 N -0.07 0.00 -0.05 0.57 3.32 -1.98 0.11 116.42 118.31 2pg1 h ASP 13 Ca 0.02 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2pg1 h ASP 13 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2pg1 h ASP 13 CO -0.00 0.07 -0.37 0.44 -1.72 0.00 0.00 179.24 177.66 2pg1 h ASP 14 N 0.00 0.42 -0.58 6.45 3.32 -1.96 -2.38 116.42 121.69 2pg1 h ASP 14 Ca -0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 57.03 56.30 2pg1 h ASP 14 Cb 0.13 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2pg1 h ASP 14 CO 0.01 1.03 0.10 0.58 -1.72 0.00 0.00 179.24 179.24 2pg1 h VAL 15 N -0.17 1.25 -0.75 -1.35 2.07 -1.09 -1.84 116.25 114.37 2pg1 h VAL 15 Ca -0.03 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.57 2pg1 h VAL 15 Cb 1.04 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2pg1 h VAL 15 CO 0.07 0.36 0.45 -1.28 0.02 0.00 0.00 177.57 177.20 2pg1 h SER 16 N 0.93 0.70 -0.49 0.57 0.87 -0.77 -1.09 113.55 114.27 2pg1 h SER 16 Ca 0.19 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2pg1 h SER 16 Cb 0.40 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2pg1 h SER 16 CO 0.01 0.46 0.11 0.11 -0.53 0.00 0.00 176.83 176.99 2pg1 h LYS 17 N 0.83 0.78 -0.20 2.24 1.57 -0.98 -2.59 116.57 118.23 2pg1 h LYS 17 Ca 0.32 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2pg1 h LYS 17 Cb 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2pg1 h LYS 17 CO -0.16 0.77 -0.03 1.15 -0.57 0.00 0.00 179.45 180.61 2pg1 h THR 18 N 0.67 0.83 0.34 -0.16 2.02 -0.55 -1.11 112.91 114.94 2pg1 h THR 18 Ca 0.15 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2pg1 h THR 18 Cb 0.34 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2pg1 h THR 18 CO 0.00 0.01 -0.25 0.40 0.37 0.00 0.00 175.52 176.05 2pg1 h ILE 19 N 0.03 0.48 -0.90 3.11 2.04 -1.13 -0.70 117.51 120.43 2pg1 h ILE 19 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.05 2pg1 h ILE 19 Cb 0.13 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 2pg1 h ILE 19 CO -0.19 0.00 0.54 0.11 0.00 0.00 0.00 178.15 178.62 2pg1 h LYS 20 N -0.58 0.88 -0.60 2.37 1.57 -1.34 0.78 116.57 119.64 2pg1 h LYS 20 Ca -0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2pg1 h LYS 20 Cb 0.50 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2pg1 h LYS 20 CO 0.00 0.58 0.37 0.93 -0.57 0.00 0.00 179.45 180.76 2pg1 h GLU 21 N 0.90 0.81 -0.71 3.15 5.08 -0.82 0.11 114.58 123.10 2pg1 h GLU 21 Ca 0.43 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 2pg1 h GLU 21 Cb 0.37 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2pg1 h GLU 21 CO -0.24 0.57 0.28 0.00 -1.00 0.00 0.00 179.01 178.63 2pg1 h ALA 22 N 1.19 1.16 0.67 3.43 0.00 0.49 -0.57 119.26 125.63 2pg1 h ALA 22 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pg1 h ALA 22 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.48 2pg1 h ALA 22 CO -0.04 0.60 -0.32 0.82 0.00 0.00 0.00 179.25 180.31 2pg1 h ILE 23 N 1.02 0.00 -0.73 0.00 1.08 -0.33 -2.24 117.51 116.32 2pg1 h ILE 23 Ca 0.24 -0.28 0.16 0.00 -0.39 0.00 0.00 64.86 64.59 2pg1 h ILE 23 Cb 0.20 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.83 2pg1 h ILE 23 CO -0.02 0.00 0.07 -0.08 -0.69 0.00 0.00 178.15 177.43 2pg1 h GLU 24 N -1.18 0.16 -0.05 2.37 4.57 -0.73 0.11 114.58 119.82 2pg1 h GLU 24 Ca -0.09 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 2pg1 h GLU 24 Cb 0.69 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2pg1 h GLU 24 CO 0.15 0.11 -0.28 1.15 -1.18 0.00 0.00 179.01 178.95 2pg1 h THR 25 N 0.16 1.22 0.00 0.32 2.02 -1.14 -2.08 112.91 113.42 2pg1 h THR 25 Ca 0.40 -1.06 -0.30 0.00 0.77 0.00 0.00 66.41 66.22 2pg1 h THR 25 Cb 0.71 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 2pg1 h THR 25 CO -0.59 0.31 -1.70 0.41 0.37 0.00 0.00 175.52 174.33 2pg1 n THR 26 N -4.17 1.53 0.34 3.16 -1.04 0.17 -4.66 114.28 109.60 2pg1 n THR 26 Ca -0.02 -0.14 0.03 0.00 -2.04 0.00 0.00 64.05 61.88 2pg1 n THR 26 Cb 0.35 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.82 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 -4.37 0.00 -1.68 12.58 -5.35 0.08 -4.90 119.36 115.72 2pg1 n ILE 27 Ca -0.39 -0.35 -0.48 0.00 -0.27 0.00 0.00 62.75 61.27 2pg1 n ILE 27 Cb 0.74 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.61 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 1.38 1.72 3.28 0.00 -0.78 -1.05 105.19 110.84 2pg1 n GLY 28 Ca 0.02 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 4.15 1.92 0.62 -0.02 0.00 -1.26 -4.88 105.19 105.73 2pg1 n GLY 29 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 2pg1 n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pg1 n ASN 30 N 0.00 0.27 -4.14 1.61 4.13 -0.22 -5.13 115.26 111.78 2pg1 n ASN 30 Ca 0.00 -1.21 -0.16 0.00 1.68 0.00 0.00 54.58 54.89 2pg1 n ASN 30 Cb 0.00 -0.09 -0.12 0.00 -1.54 0.00 0.00 39.78 38.04 2pg1 n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pg1 s ALA 31 N -2.52 1.00 0.18 5.41 0.00 -1.26 -4.88 121.76 119.68 2pg1 s ALA 31 Ca 0.10 -0.95 -0.33 0.00 0.00 0.00 0.00 51.96 50.77 2pg1 s ALA 31 Cb -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 23.12 22.93 2pg1 s ALA 31 CO 0.07 0.09 1.57 0.98 0.00 0.00 0.00 175.76 178.47 2pg1 n TYR 32 N 1.25 2.32 -3.25 0.00 9.36 -1.26 -4.92 117.16 120.66 2pg1 n TYR 32 Ca -0.21 0.26 -0.04 0.00 3.32 0.00 0.00 57.90 61.23 2pg1 n TYR 32 Cb 0.55 -2.55 -0.03 0.00 -0.63 0.00 0.00 39.34 36.68 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 0.77 0.71 0.01 2.98 -0.21 -1.26 -5.08 119.66 117.59 2pg1 s GLN 33 Ca 0.77 -0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.84 2pg1 s GLN 33 Cb -0.66 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.23 2pg1 s GLN 33 CO 0.39 -1.16 0.09 1.58 -2.12 0.00 0.00 175.29 174.07 2pg1 n HIS 34 N 4.55 -0.01 0.28 0.91 -0.00 -1.26 0.00 115.22 119.69 2pg1 n HIS 34 Ca 0.10 0.08 0.17 0.00 -0.00 0.00 0.00 57.72 58.07 2pg1 n HIS 34 Cb 0.53 -0.51 0.88 0.00 -0.00 0.00 0.00 29.99 30.89 2pg1 n HIS 34 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 2pg1 h ASP 35 N 0.00 0.00 0.00 0.26 3.32 -2.01 -2.69 116.42 115.30 2pg1 h ASP 35 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pg1 h ASP 35 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2pg1 h ASP 35 CO -0.06 0.00 -1.51 2.29 -1.72 0.00 0.00 179.24 178.24 2pg1 n LYS 36 N -2.74 0.67 0.18 3.56 2.85 0.10 -4.49 118.16 118.28 2pg1 n LYS 36 Ca -0.02 -0.11 0.04 0.00 -1.05 0.00 0.00 58.31 57.18 2pg1 n LYS 36 Cb 0.11 -1.30 0.46 0.00 -0.65 0.00 0.00 35.03 33.64 2pg1 n LYS 36 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2pg1 h VAL 37 N 0.00 1.15 -0.38 0.58 2.07 -1.25 -2.08 116.25 116.35 2pg1 h VAL 37 Ca 0.00 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 2pg1 h VAL 37 Cb 0.59 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2pg1 h VAL 37 CO 0.00 0.20 -0.12 0.78 0.02 0.00 0.00 177.57 178.45 2pg1 h ASN 38 N 0.10 0.65 0.90 0.57 2.35 -1.78 -1.88 115.58 116.49 2pg1 h ASN 38 Ca 0.02 -0.18 -0.19 0.00 -0.55 0.00 0.00 56.30 55.40 2pg1 h ASN 38 Cb 0.33 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2pg1 h ASN 38 CO 0.02 0.80 -0.90 -1.13 -1.65 0.00 0.00 177.43 174.57 2pg1 h ASN 39 N 0.60 0.00 0.04 5.81 -1.24 -1.73 -3.04 115.58 116.03 2pg1 h ASN 39 Ca 0.11 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 2pg1 h ASN 39 Cb 0.55 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2pg1 h ASN 39 CO 0.03 0.90 -0.02 -0.50 -1.29 0.00 0.00 177.43 176.56 2pg1 h TRP 40 N 0.00 -0.05 -0.72 0.67 6.55 -1.09 -1.24 115.95 120.07 2pg1 h TRP 40 Ca -0.01 -0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.89 2pg1 h TRP 40 Cb 1.59 0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 29.86 2pg1 h TRP 40 CO 0.00 0.26 0.48 1.79 -1.05 0.00 0.00 178.44 179.92 2pg1 h THR 41 N -0.36 1.03 -0.50 1.49 1.35 -1.41 -1.19 112.91 113.33 2pg1 h THR 41 Ca -0.01 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.55 2pg1 h THR 41 Cb 0.33 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.92 2pg1 h THR 41 CO 0.01 0.14 0.14 1.23 -0.25 0.00 0.00 175.52 176.79 2pg1 h GLY 42 N 0.77 0.84 1.14 5.82 0.00 -1.39 -2.63 103.07 107.63 2pg1 h GLY 42 Ca 0.31 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2pg1 h GLY 42 CO -0.10 0.48 0.25 1.46 0.00 0.00 0.00 176.54 178.62 2pg1 h GLN 43 N 0.68 1.09 -0.26 4.80 4.20 -0.10 -1.34 115.11 124.18 2pg1 h GLN 43 Ca 0.16 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2pg1 h GLN 43 Cb 0.29 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2pg1 h GLN 43 CO -0.00 0.91 0.14 0.28 -0.67 0.00 0.00 178.83 179.49 2pg1 h VAL 44 N 1.05 1.02 0.43 -0.54 2.07 -1.13 0.89 116.25 120.04 2pg1 h VAL 44 Ca 0.24 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2pg1 h VAL 44 Cb 0.26 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2pg1 h VAL 44 CO -0.01 0.05 -0.26 0.58 0.02 0.00 0.00 177.57 177.95 2pg1 h VAL 45 N 0.30 0.45 -0.89 2.57 2.07 -1.16 -1.66 116.25 117.92 2pg1 h VAL 45 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 2pg1 h VAL 45 Cb 0.01 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2pg1 h VAL 45 CO -0.06 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 177.79 2pg1 h GLU 46 N -0.67 1.14 0.10 1.57 4.39 -1.00 -1.42 114.58 118.69 2pg1 h GLU 46 Ca -0.05 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2pg1 h GLU 46 Cb 0.55 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2pg1 h GLU 46 CO 0.05 0.75 -0.05 -0.91 -1.16 0.00 0.00 179.01 177.70 2pg1 h ASN 47 N 1.18 -0.12 -0.20 1.42 4.21 0.10 -1.55 115.58 120.63 2pg1 h ASN 47 Ca 0.34 -0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.83 2pg1 h ASN 47 Cb -0.08 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 2pg1 h ASN 47 CO -0.09 -0.02 -0.01 0.00 -1.29 0.00 0.00 177.43 176.02 2pg1 h LEU 49 N 0.05 0.77 -0.31 0.00 3.38 -1.10 -0.94 115.31 117.15 2pg1 h LEU 49 Ca 0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2pg1 h LEU 49 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2pg1 h LEU 49 CO -0.17 0.45 0.11 0.74 0.09 0.00 0.00 178.44 179.66 2pg1 h THR 50 N 0.88 1.19 -0.35 0.22 2.02 -0.83 -0.30 112.91 115.74 2pg1 h THR 50 Ca 0.41 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2pg1 h THR 50 Cb 0.32 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2pg1 h THR 50 CO -0.23 0.21 0.15 0.58 0.37 0.00 0.00 175.52 176.60 2pg1 h VAL 51 N 0.34 1.18 -0.41 3.16 2.07 -1.03 -1.54 116.25 120.01 2pg1 h VAL 51 Ca 0.10 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2pg1 h VAL 51 Cb 0.22 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2pg1 h VAL 51 CO -0.01 0.19 0.12 -0.07 0.02 0.00 0.00 177.57 177.82 2pg1 h LEU 52 N 0.42 0.61 -0.84 2.57 3.38 -1.04 -2.97 115.31 117.44 2pg1 h LEU 52 Ca 0.12 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2pg1 h LEU 52 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pg1 h LEU 52 CO -0.01 0.67 -0.53 0.71 0.09 0.00 0.00 178.44 179.36 2pg1 h THR 53 N 0.53 1.37 -0.29 0.22 1.35 -1.02 -2.92 112.91 112.15 2pg1 h THR 53 Ca 0.13 -1.82 -0.03 0.00 -0.55 0.00 0.00 66.41 64.14 2pg1 h THR 53 Cb 0.28 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 2pg1 h THR 53 CO -0.00 0.53 0.06 0.11 -0.25 0.00 0.00 175.52 175.97 2pg1 h LYS 54 N 0.10 0.42 0.00 4.72 6.56 -1.13 -1.82 116.57 125.42 2pg1 h LYS 54 Ca -0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2pg1 h LYS 54 Cb 0.97 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2pg1 h LYS 54 CO 0.08 0.40 0.01 0.39 -2.06 0.00 0.00 179.45 178.27 2pg1 n GLU 55 N -4.36 0.00 -2.41 3.15 1.02 -1.10 -4.84 120.64 112.09 2pg1 n GLU 55 Ca 0.01 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.33 2pg1 n GLU 55 Cb 0.18 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 2pg1 n GLU 55 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pg1 n GLN 56 N -1.32 -2.09 -2.75 3.49 1.13 -0.69 -4.97 117.38 110.18 2pg1 n GLN 56 Ca 0.00 0.69 -0.31 0.00 -1.94 0.00 0.00 57.00 55.45 2pg1 n GLN 56 Cb 0.01 -5.30 -0.03 0.00 0.11 0.00 0.00 30.24 25.02 2pg1 n GLN 56 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2pg1 s LYS 57 N -5.00 3.81 -0.62 -1.09 1.02 -1.26 -4.95 119.74 111.65 2pg1 s LYS 57 Ca 0.00 0.57 -0.06 0.00 0.02 0.00 0.00 55.97 56.51 2pg1 s LYS 57 Cb 0.00 -2.33 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 2pg1 s LYS 57 CO 0.00 -0.09 2.54 -0.35 -0.92 0.00 0.00 175.35 176.53 2pg1 n PRO 58 N -1.38 2.06 -4.18 -1.68 -0.04 -1.26 -4.87 135.00 123.66 2pg1 n PRO 58 Ca 0.03 -1.24 -0.18 0.00 -0.04 0.00 0.00 63.50 62.07 2pg1 n PRO 58 Cb 0.54 -2.24 -0.12 0.00 -0.04 0.00 0.00 33.50 31.65 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 2.34 1.21 0.13 0.54 1.51 -1.26 -1.74 117.35 120.08 2pg1 s TYR 59 Ca 0.49 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2pg1 s TYR 59 Cb 0.17 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 2pg1 s TYR 59 CO -0.02 0.06 0.29 0.15 -1.11 0.00 0.00 175.55 174.92 2pg1 s LYS 60 N -1.94 3.47 0.06 -0.62 1.02 0.15 -4.86 119.74 117.02 2pg1 s LYS 60 Ca -0.00 -0.46 0.04 0.00 0.02 0.00 0.00 55.97 55.56 2pg1 s LYS 60 Cb -0.09 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2pg1 s LYS 60 CO 0.02 0.52 -0.11 0.71 -0.92 0.00 0.00 175.35 175.57 2pg1 s TYR 61 N -1.70 0.97 -0.08 3.18 2.02 -1.26 -0.78 117.35 119.69 2pg1 s TYR 61 Ca 0.36 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2pg1 s TYR 61 Cb -0.12 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.91 2pg1 s TYR 61 CO 0.28 -0.01 -0.09 0.42 -1.57 0.00 0.00 175.55 174.59 2pg1 s ILE 62 N -1.44 0.98 -0.11 2.71 -1.09 -0.39 -4.98 121.20 116.89 2pg1 s ILE 62 Ca -0.05 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 2pg1 s ILE 62 Cb -0.09 -0.96 0.02 0.00 -1.58 0.00 0.00 42.46 39.84 2pg1 s ILE 62 CO 0.01 0.34 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.23 2pg1 s VAL 63 N 1.23 1.41 -0.04 2.92 1.01 -1.26 -0.49 120.40 125.19 2pg1 s VAL 63 Ca -0.04 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2pg1 s VAL 63 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2pg1 s VAL 63 CO -0.03 0.42 -0.17 0.42 0.00 0.00 0.00 175.10 175.75 2pg1 s THR 64 N 1.04 1.42 0.30 3.92 -4.23 -0.37 -4.97 115.64 112.74 2pg1 s THR 64 Ca -0.06 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2pg1 s THR 64 Cb -0.15 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 2pg1 s THR 64 CO -0.02 0.41 0.10 0.00 -0.54 0.00 0.00 174.62 174.57 2pg1 n ALA 65 N 3.03 0.41 -3.74 3.99 0.00 -1.26 0.12 120.51 123.06 2pg1 n ALA 65 Ca -0.17 -1.50 0.02 0.00 0.00 0.00 0.00 53.44 51.79 2pg1 n ALA 65 Cb 0.53 1.01 0.00 0.00 0.00 0.00 0.00 19.45 20.99 2pg1 n ALA 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2pg1 s ILE 67 N -2.65 0.00 -0.07 0.00 1.01 -1.26 -4.99 121.20 113.25 2pg1 s ILE 67 Ca 0.15 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.65 2pg1 s ILE 67 Cb 0.01 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2pg1 s ILE 67 CO 0.10 0.00 -0.23 -1.58 0.00 0.00 0.00 174.94 173.23 2pg1 s GLN 69 N -2.25 2.59 0.05 2.79 0.74 -1.26 -4.96 119.66 117.36 2pg1 s GLN 69 Ca 0.20 -0.84 -0.31 0.00 0.05 0.00 0.00 55.36 54.46 2pg1 s GLN 69 Cb 0.03 -2.11 -0.06 0.00 1.10 0.00 0.00 33.01 31.97 2pg1 s GLN 69 CO -0.03 0.29 1.35 0.15 -0.55 0.00 0.00 175.29 176.49 2pg1 s LYS 70 N 0.06 4.33 0.00 1.67 1.02 0.35 -4.77 119.74 122.39 2pg1 s LYS 70 Ca -0.09 1.94 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2pg1 s LYS 70 Cb -0.15 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2pg1 s LYS 70 CO 0.05 -0.46 0.06 -1.71 -0.92 0.00 0.00 175.35 172.37 2pg1 n ASN 71 N 4.62 0.00 0.00 2.83 4.05 -1.26 -4.98 115.26 120.52 2pg1 n ASN 71 Ca 0.12 -1.00 0.00 0.00 0.45 0.00 0.00 54.58 54.15 2pg1 n ASN 71 Cb 0.44 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.45 2pg1 n ASN 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2pg1 n GLY 72 N 0.00 1.41 3.70 8.20 0.00 -1.26 -5.04 105.19 112.21 2pg1 n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pg1 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pg1 n ALA 73 N -1.60 1.57 -1.76 4.61 0.00 -1.26 -4.96 120.51 117.12 2pg1 n ALA 73 Ca 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 2pg1 n ALA 73 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 2pg1 n ALA 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2pg1 s GLY 74 N 0.13 3.07 -0.04 0.00 0.00 -1.26 -5.05 107.32 104.18 2pg1 s GLY 74 Ca 0.63 0.75 0.01 0.00 0.00 0.00 0.00 44.72 46.10 2pg1 s GLY 74 CO 0.54 1.32 -0.05 -2.27 0.00 0.00 0.00 173.10 172.64 2pg1 s LEU 75 N -1.37 1.41 -0.01 0.66 2.96 -1.26 -5.14 118.68 115.92 2pg1 s LEU 75 Ca 0.43 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2pg1 s LEU 75 Cb -0.28 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 45.95 2pg1 s LEU 75 CO 0.36 -0.04 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.34 2pg1 s HIS 76 N 0.81 0.28 0.03 5.38 3.76 -1.26 -5.15 115.29 119.14 2pg1 s HIS 76 Ca -0.11 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 2pg1 s HIS 76 Cb -0.14 -0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 2pg1 s HIS 76 CO 0.01 -0.06 -0.06 0.95 -0.85 0.00 0.00 174.74 174.72 2pg1 s THR 77 N 0.42 0.45 0.01 1.30 -4.23 -1.26 -5.15 115.64 107.18 2pg1 s THR 77 Ca -0.04 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 2pg1 s THR 77 Cb -0.07 -0.50 -0.01 0.00 1.34 0.00 0.00 72.50 73.27 2pg1 s THR 77 CO -0.01 -0.27 0.04 0.00 -0.54 0.00 0.00 174.62 173.84 2pg1 s ALA 78 N -1.07 -0.07 -0.16 3.99 0.00 -1.26 -5.16 121.76 118.03 2pg1 s ALA 78 Ca -0.08 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2pg1 s ALA 78 Cb -0.08 0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.26 2pg1 s ALA 78 CO 0.00 -0.17 0.85 -1.54 0.00 0.00 0.00 175.76 174.90 2pg1 s SER 79 N -1.38 -0.54 0.34 0.00 1.04 -1.26 -5.18 113.70 106.72 2pg1 s SER 79 Ca -0.15 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 56.97 2pg1 s SER 79 Cb -0.09 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2pg1 s SER 79 CO 0.00 -0.38 0.58 -0.24 0.98 0.00 0.00 173.24 174.18 2pg1 n SER 80 N 1.38 -1.67 -3.79 7.02 2.88 -1.26 -5.19 113.62 112.98 2pg1 n SER 80 Ca -0.14 -2.58 -0.10 0.00 -1.33 0.00 0.00 58.87 54.73 2pg1 n SER 80 Cb 0.57 2.91 -0.06 0.00 -0.75 0.00 0.00 64.21 66.88 2pg1 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pg1 s TYR 82 N -3.87 3.64 0.00 0.00 5.04 -1.26 -5.06 117.35 115.85 2pg1 s TYR 82 Ca 0.08 -2.72 0.00 0.00 -2.44 0.00 0.00 57.07 51.98 2pg1 s TYR 82 Cb 0.03 -2.84 0.00 0.00 0.35 0.00 0.00 41.96 39.49 2pg1 s TYR 82 CO -0.08 -0.94 0.00 -2.67 -1.34 0.00 0.00 175.55 170.53 2pg1 n TRP 83 N 4.38 0.00 -3.28 4.97 2.14 -1.26 -5.10 117.44 119.28 2pg1 n TRP 83 Ca -0.01 0.00 -0.46 0.00 2.07 0.00 0.00 57.50 59.11 2pg1 n TRP 83 Cb 0.42 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.87 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 1.50 6.18 0.00 -0.67 2.47 -1.26 -4.92 114.94 118.24 2pg1 s ASN 84 Ca 0.00 -1.65 0.01 0.00 0.42 0.00 0.00 52.86 51.65 2pg1 s ASN 84 Cb 0.00 -2.23 0.07 0.00 -1.45 0.00 0.00 41.25 37.65 2pg1 s ASN 84 CO 0.00 -0.88 0.81 0.59 -3.72 0.00 0.00 177.10 173.90 2pg1 n ASN 85 N 5.47 0.00 -0.06 -4.21 3.02 -1.26 -0.88 115.26 117.33 2pg1 n ASN 85 Ca -0.13 0.23 -0.03 0.00 -0.03 0.00 0.00 54.58 54.62 2pg1 n ASN 85 Cb 0.41 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.17 2pg1 n ASN 85 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pg1 n ASP 86 N -1.25 0.06 -0.00 6.41 2.03 -1.26 -4.61 116.55 117.93 2pg1 n ASP 86 Ca 0.01 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2pg1 n ASP 86 Cb 0.01 1.23 -0.01 0.00 -0.72 0.00 0.00 41.12 41.63 2pg1 n ASP 86 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pg1 n THR 87 N -2.62 0.00 -3.94 5.18 -2.24 -0.96 -5.05 114.28 104.65 2pg1 n THR 87 Ca -0.23 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 2pg1 n THR 87 Cb 0.97 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 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 -1.69 6.27 0.33 3.42 1.01 -0.06 -4.40 116.67 121.55 2pg1 s ASP 88 Ca -0.00 0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.42 2pg1 s ASP 88 Cb 0.01 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 42.06 2pg1 s ASP 88 CO 0.04 0.16 0.57 0.61 0.21 0.00 0.00 175.17 176.76 2pg1 n GLY 89 N 0.23 1.63 3.67 0.21 0.00 -0.91 -4.76 105.19 105.26 2pg1 n GLY 89 Ca -0.06 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.89 -0.36 -0.09 1.61 1.04 -1.26 -0.65 113.70 111.09 2pg1 s SER 90 Ca 0.20 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 2pg1 s SER 90 Cb -0.03 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.76 2pg1 s SER 90 CO 0.15 -1.10 0.21 0.00 0.98 0.00 0.00 173.24 173.48 2pg1 s THR 92 N 1.10 1.89 -0.11 0.00 2.01 -1.26 -1.22 115.64 118.05 2pg1 s THR 92 Ca -0.08 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 2pg1 s THR 92 Cb -0.10 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 2pg1 s THR 92 CO -0.07 0.51 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 2pg1 s VAL 93 N 1.36 3.51 -0.16 3.82 1.01 -0.37 -4.98 120.40 124.59 2pg1 s VAL 93 Ca 0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2pg1 s VAL 93 Cb -0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2pg1 s VAL 93 CO -0.12 0.55 -0.07 -0.13 0.00 0.00 0.00 175.10 175.33 2pg1 s ARG 94 N -0.19 3.51 0.04 2.72 0.52 -1.26 -1.61 118.95 122.68 2pg1 s ARG 94 Ca 0.02 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2pg1 s ARG 94 Cb -0.13 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 2pg1 s ARG 94 CO 0.03 0.15 -0.09 -0.46 0.02 0.00 0.00 175.30 174.95 2pg1 s TRP 95 N 0.56 0.80 -0.21 -0.53 -0.00 -0.49 -5.03 118.94 114.05 2pg1 s TRP 95 Ca -0.05 -0.44 -0.27 0.00 -0.00 0.00 0.00 56.10 55.34 2pg1 s TRP 95 Cb -0.15 -0.47 0.10 0.00 -0.00 0.00 0.00 33.47 32.95 2pg1 s TRP 95 CO 0.03 -0.04 0.85 -1.83 -0.00 0.00 0.00 176.95 175.96 2pg1 s GLU 96 N -1.41 0.74 0.00 5.86 -1.05 -1.26 0.11 118.70 121.68 2pg1 s GLU 96 Ca -0.06 0.58 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 2pg1 s GLU 96 Cb -0.09 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2pg1 s GLU 96 CO 0.01 -0.15 0.00 0.27 0.95 0.00 0.00 175.26 176.34 2pg1 n ASN 97 N 1.84 0.62 0.11 0.83 0.23 -1.26 -5.03 115.26 112.60 2pg1 n ASN 97 Ca -0.14 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 53.92 2pg1 n ASN 97 Cb 0.56 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.25 2pg1 n ASN 97 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2pg1 h LYS 98 N 0.00 0.00 -0.31 -3.83 1.57 -2.02 -3.45 116.57 108.53 2pg1 h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pg1 h LYS 98 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2pg1 h LYS 98 CO 0.00 0.54 0.00 0.25 -0.57 0.00 0.00 179.45 179.67 2pg1 n THR 99 N -3.19 0.41 -3.66 -0.16 -2.24 -1.26 -4.82 114.28 99.36 2pg1 n THR 99 Ca -0.00 -0.71 -0.08 0.00 -2.27 0.00 0.00 64.05 61.00 2pg1 n THR 99 Cb 0.78 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 70.00 2pg1 n THR 99 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2pg1 s TYR 101 N -1.52 -0.92 0.03 4.78 5.04 -1.26 -0.50 117.35 123.00 2pg1 s TYR 101 Ca 0.35 1.82 0.08 0.00 -2.44 0.00 0.00 57.07 56.87 2pg1 s TYR 101 Cb 0.21 0.50 -0.02 0.00 0.35 0.00 0.00 41.96 43.00 2pg1 s TYR 101 CO 0.30 -0.48 -0.22 0.00 -1.34 0.00 0.00 175.55 173.81 2pg1 s ILE 103 N -0.74 0.90 -0.05 0.00 1.01 -1.26 -1.39 121.20 119.68 2pg1 s ILE 103 Ca 0.09 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2pg1 s ILE 103 Cb -0.09 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2pg1 s ILE 103 CO 0.01 0.31 -0.09 -0.69 0.00 0.00 0.00 174.94 174.48 2pg1 s VAL 104 N 0.80 0.82 -0.04 2.92 1.01 -0.63 -4.31 120.40 120.97 2pg1 s VAL 104 Ca -0.12 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2pg1 s VAL 104 Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2pg1 s VAL 104 CO 0.02 0.28 -0.21 -0.44 0.00 0.00 0.00 175.10 174.75 2pg1 s SER 105 N 0.62 2.51 -0.10 3.32 0.01 0.12 -1.24 113.70 118.94 2pg1 s SER 105 Ca -0.11 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.78 2pg1 s SER 105 Cb -0.13 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.58 2pg1 s SER 105 CO 0.02 0.22 -0.18 -0.69 0.41 0.00 0.00 173.24 173.02 2pg1 s VAL 106 N -0.23 1.64 -0.20 3.43 1.01 -0.36 -1.24 120.40 124.46 2pg1 s VAL 106 Ca 0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2pg1 s VAL 106 Cb -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2pg1 s VAL 106 CO 0.01 0.47 -0.15 -0.36 0.00 0.00 0.00 175.10 175.07 2pg1 s PHE 107 N 0.71 2.86 -0.21 5.22 0.08 0.36 -1.01 117.98 125.99 2pg1 s PHE 107 Ca -0.12 -1.52 -0.07 0.00 0.12 0.00 0.00 56.93 55.34 2pg1 s PHE 107 Cb -0.16 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2pg1 s PHE 107 CO 0.03 -0.75 0.06 0.20 -0.10 0.00 0.00 175.22 174.65 2pg1 s GLY 108 N 1.33 1.81 -0.16 4.36 0.00 0.17 -1.26 107.32 113.58 2pg1 s GLY 108 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2pg1 s GLY 108 CO -0.10 0.28 -0.19 1.08 0.00 0.00 0.00 173.10 174.17 2pg1 s LEU 109 N 0.99 2.01 0.13 0.66 1.02 0.03 -2.14 118.68 121.38 2pg1 s LEU 109 Ca 0.04 -0.59 -0.34 0.00 0.02 0.00 0.00 54.13 53.26 2pg1 s LEU 109 Cb -0.14 -1.38 -0.13 0.00 0.02 0.00 0.00 46.19 44.55 2pg1 s LEU 109 CO 0.03 0.01 1.64 0.00 0.02 0.00 0.00 176.35 178.05 2pg1 n ALA 110 N 4.48 1.45 0.26 4.21 0.00 -1.26 0.30 120.51 129.94 2pg1 n ALA 110 Ca -0.20 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.68 2pg1 n ALA 110 Cb 0.50 -2.39 0.12 0.00 0.00 0.00 0.00 19.45 17.68 2pg1 n ALA 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78