#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg1 s GLN 9 N 0.00 0.78 -0.31 4.33 -2.07 -1.26 -4.97 119.66 116.16 2pg1 s GLN 9 Ca 0.00 -0.23 -0.29 0.00 -1.82 0.00 0.00 55.36 53.02 2pg1 s GLN 9 Cb 0.00 0.36 -0.00 0.00 -1.09 0.00 0.00 33.01 32.28 2pg1 s GLN 9 CO 0.00 -0.33 1.38 0.12 -1.32 0.00 0.00 175.29 175.14 2pg1 s PHE 10 N -2.80 2.52 -0.56 9.60 5.36 -1.26 -4.97 117.98 125.86 2pg1 s PHE 10 Ca 0.04 0.77 -0.11 0.00 -0.96 0.00 0.00 56.93 56.67 2pg1 s PHE 10 Cb -0.01 -4.00 0.14 0.00 -0.34 0.00 0.00 43.02 38.81 2pg1 s PHE 10 CO -0.07 -1.99 0.46 0.42 -1.46 0.00 0.00 175.22 172.57 2pg1 s ILE 11 N 4.76 4.63 0.30 3.12 1.01 -1.26 -4.95 121.20 128.80 2pg1 s ILE 11 Ca 0.60 -1.92 0.02 0.00 0.00 0.00 0.00 60.65 59.35 2pg1 s ILE 11 Cb -0.18 -3.99 0.34 0.00 0.01 0.00 0.00 42.46 38.65 2pg1 s ILE 11 CO 0.26 -0.85 1.62 0.58 0.00 0.00 0.00 174.94 176.55 2pg1 h VAL 12 N 5.80 0.20 -0.81 2.92 2.07 -1.93 -1.43 116.25 123.07 2pg1 h VAL 12 Ca -0.17 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2pg1 h VAL 12 Cb 1.06 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2pg1 h VAL 12 CO 0.88 0.02 0.42 0.44 0.02 0.00 0.00 177.57 179.35 2pg1 h ASP 13 N 0.12 1.03 0.35 0.57 3.32 -1.99 -0.16 116.42 119.66 2pg1 h ASP 13 Ca 0.57 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 2pg1 h ASP 13 Cb 1.19 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2pg1 h ASP 13 CO -0.75 0.85 -0.17 0.44 -1.72 0.00 0.00 179.24 177.90 2pg1 h ASP 14 N 1.13 -0.40 -0.97 6.45 3.32 -1.72 -2.39 116.42 121.85 2pg1 h ASP 14 Ca 0.28 -0.15 0.18 0.00 0.02 0.00 0.00 57.03 57.36 2pg1 h ASP 14 Cb 0.07 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 2pg1 h ASP 14 CO -0.04 -0.04 0.61 0.58 -1.72 0.00 0.00 179.24 178.63 2pg1 h VAL 15 N -0.79 0.74 -0.21 -1.35 2.07 -1.29 0.37 116.25 115.80 2pg1 h VAL 15 Ca -0.05 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 2pg1 h VAL 15 Cb 0.52 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2pg1 h VAL 15 CO 0.08 0.13 -0.21 -1.28 0.02 0.00 0.00 177.57 176.31 2pg1 h SER 16 N 0.71 0.36 -0.18 0.57 0.87 -0.95 -1.98 113.55 112.95 2pg1 h SER 16 Ca 0.53 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.93 2pg1 h SER 16 Cb 0.89 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2pg1 h SER 16 CO -0.30 0.59 -0.11 0.50 -0.53 0.00 0.00 176.83 176.98 2pg1 h LYS 17 N 0.34 0.40 -0.95 2.24 1.63 0.21 -1.61 116.57 118.82 2pg1 h LYS 17 Ca 0.06 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2pg1 h LYS 17 Cb 0.56 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.13 2pg1 h LYS 17 CO 0.04 0.71 0.62 1.15 -3.45 0.00 0.00 179.45 178.52 2pg1 h THR 18 N 0.07 1.14 0.44 1.00 2.02 -0.95 0.26 112.91 116.90 2pg1 h THR 18 Ca 0.04 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 2pg1 h THR 18 Cb 0.61 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2pg1 h THR 18 CO 0.03 0.22 -0.21 0.40 0.37 0.00 0.00 175.52 176.32 2pg1 h ILE 19 N 1.18 0.43 -0.79 3.11 2.04 -1.23 -0.60 117.51 121.66 2pg1 h ILE 19 Ca 0.39 -0.50 0.14 0.00 1.00 0.00 0.00 64.86 65.89 2pg1 h ILE 19 Cb 0.04 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 2pg1 h ILE 19 CO -0.13 0.07 0.36 0.11 0.00 0.00 0.00 178.15 178.56 2pg1 h LYS 20 N -0.94 0.50 0.37 2.37 1.57 -1.11 0.16 116.57 119.49 2pg1 h LYS 20 Ca -0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2pg1 h LYS 20 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2pg1 h LYS 20 CO 0.10 0.33 -0.34 0.93 -0.57 0.00 0.00 179.45 179.90 2pg1 h GLU 21 N 0.52 -0.68 -0.75 3.15 5.08 -0.85 -0.51 114.58 120.54 2pg1 h GLU 21 Ca 0.43 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 59.01 2pg1 h GLU 21 Cb 0.63 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.90 2pg1 h GLU 21 CO -0.38 -0.45 0.03 0.00 -1.00 0.00 0.00 179.01 177.20 2pg1 h ALA 22 N -1.22 0.80 0.01 3.43 0.00 -0.24 -0.17 119.26 121.87 2pg1 h ALA 22 Ca -0.05 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2pg1 h ALA 22 Cb 0.60 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2pg1 h ALA 22 CO -0.03 -0.42 -0.08 0.82 0.00 0.00 0.00 179.25 179.55 2pg1 h ILE 23 N 0.12 0.79 -0.82 0.00 1.08 -0.38 -2.35 117.51 115.96 2pg1 h ILE 23 Ca 0.41 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.96 2pg1 h ILE 23 Cb 0.72 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.20 2pg1 h ILE 23 CO -0.64 0.00 0.48 -0.08 -0.69 0.00 0.00 178.15 177.22 2pg1 h GLU 24 N -0.14 0.82 0.54 2.37 4.57 0.60 -1.28 114.58 122.06 2pg1 h GLU 24 Ca 0.03 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2pg1 h GLU 24 Cb 0.18 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2pg1 h GLU 24 CO -0.08 0.54 -0.26 1.15 -1.18 0.00 0.00 179.01 179.18 2pg1 h THR 25 N 0.84 0.00 0.27 0.32 2.02 -1.05 0.26 112.91 115.58 2pg1 h THR 25 Ca 0.38 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.54 2pg1 h THR 25 Cb 0.27 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 2pg1 h THR 25 CO -0.21 0.00 -0.42 0.74 0.37 0.00 0.00 175.52 176.00 2pg1 h THR 26 N -0.75 0.15 -0.00 3.16 2.02 -1.32 -3.34 112.91 112.82 2pg1 h THR 26 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2pg1 h THR 26 Cb 0.56 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2pg1 h THR 26 CO 0.12 0.00 -0.39 2.30 0.37 0.00 0.00 175.52 177.92 2pg1 n ILE 27 N -5.49 0.00 -1.54 3.11 -5.35 -0.51 -4.98 119.36 104.60 2pg1 n ILE 27 Ca -0.09 -0.31 -0.52 0.00 -0.27 0.00 0.00 62.75 61.56 2pg1 n ILE 27 Cb 0.40 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.25 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 1.15 0.72 1.50 3.28 0.00 0.92 -2.20 105.19 110.56 2pg1 n GLY 28 Ca 0.02 0.93 -0.02 0.00 0.00 0.00 0.00 46.02 46.95 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 5.65 0.55 3.57 -0.02 0.00 -1.26 -4.87 105.19 108.80 2pg1 n GLY 29 Ca 0.35 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.09 0.49 0.08 1.61 -0.87 -0.93 -5.17 114.94 107.05 2pg1 s ASN 30 Ca 0.03 -1.28 0.08 0.00 -1.57 0.00 0.00 52.86 50.11 2pg1 s ASN 30 Cb -0.00 0.68 -0.03 0.00 -0.02 0.00 0.00 41.25 41.87 2pg1 s ASN 30 CO 0.08 -1.33 -0.20 0.00 -2.57 0.00 0.00 177.10 173.07 2pg1 s ALA 31 N -3.16 1.73 0.14 0.60 0.00 -1.26 -4.79 121.76 115.02 2pg1 s ALA 31 Ca 0.26 -1.16 -0.34 0.00 0.00 0.00 0.00 51.96 50.72 2pg1 s ALA 31 Cb -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 23.12 22.68 2pg1 s ALA 31 CO 0.16 0.35 1.29 0.98 0.00 0.00 0.00 175.76 178.54 2pg1 n TYR 32 N 1.36 1.52 -3.27 0.00 9.36 -1.26 -4.94 117.16 119.93 2pg1 n TYR 32 Ca -0.19 0.61 -0.05 0.00 3.32 0.00 0.00 57.90 61.59 2pg1 n TYR 32 Cb 0.54 -2.33 -0.05 0.00 -0.63 0.00 0.00 39.34 36.87 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 0.45 0.58 2.98 -0.21 -1.26 -5.01 119.66 117.29 2pg1 s GLN 33 Ca 0.78 0.33 0.39 0.00 0.02 0.00 0.00 55.36 56.88 2pg1 s GLN 33 Cb -0.87 -0.15 1.36 0.00 1.00 0.00 0.00 33.01 34.35 2pg1 s GLN 33 CO 0.49 -0.96 1.47 1.25 -2.12 0.00 0.00 175.29 175.42 2pg1 h HIS 34 N 8.12 0.00 0.04 0.91 -0.00 -2.00 -0.27 115.15 121.95 2pg1 h HIS 34 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2pg1 h HIS 34 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2pg1 h HIS 34 CO 0.24 0.00 -0.04 -0.44 -0.00 0.00 0.00 177.93 177.69 2pg1 h ASP 35 N 0.00 -0.12 1.12 3.26 5.19 -1.99 -3.26 116.42 120.63 2pg1 h ASP 35 Ca 0.71 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 2pg1 h ASP 35 Cb 3.27 0.04 0.00 0.00 0.18 0.00 0.00 39.33 42.82 2pg1 h ASP 35 CO -0.01 -0.05 -0.13 0.29 -3.12 0.00 0.00 179.24 176.22 2pg1 n LYS 36 N -2.55 0.14 -0.04 3.56 4.01 -0.18 -4.29 118.16 118.81 2pg1 n LYS 36 Ca -0.01 0.10 -0.08 0.00 -0.51 0.00 0.00 58.31 57.80 2pg1 n LYS 36 Cb 0.04 -1.64 -0.02 0.00 -0.51 0.00 0.00 35.03 32.89 2pg1 n LYS 36 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2pg1 h VAL 37 N 0.00 0.44 -0.68 -0.18 2.07 -1.39 0.15 116.25 116.66 2pg1 h VAL 37 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2pg1 h VAL 37 Cb 0.62 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 2pg1 h VAL 37 CO 0.00 0.00 0.28 0.78 0.02 0.00 0.00 177.57 178.65 2pg1 h ASN 38 N -0.23 0.29 0.59 0.57 2.35 -1.75 -1.10 115.58 116.30 2pg1 h ASN 38 Ca 0.13 0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.83 2pg1 h ASN 38 Cb 0.43 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2pg1 h ASN 38 CO -0.35 0.15 -0.63 -1.13 -1.65 0.00 0.00 177.43 173.82 2pg1 h ASN 39 N 0.46 0.05 0.58 5.81 -1.24 -1.64 -2.65 115.58 116.95 2pg1 h ASN 39 Ca 0.35 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.30 2pg1 h ASN 39 Cb 0.45 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.49 2pg1 h ASN 39 CO -0.33 0.66 -0.28 -0.50 -1.29 0.00 0.00 177.43 175.69 2pg1 h TRP 40 N 0.03 -0.73 -0.99 0.67 6.55 0.46 -0.17 115.95 121.77 2pg1 h TRP 40 Ca -0.01 -0.02 0.21 0.00 0.95 0.00 0.00 58.89 60.03 2pg1 h TRP 40 Cb 1.12 0.24 -0.10 0.00 -0.86 0.00 0.00 29.16 29.56 2pg1 h TRP 40 CO 0.00 -0.45 0.62 1.79 -1.05 0.00 0.00 178.44 179.35 2pg1 h THR 41 N -1.02 0.65 -0.23 1.49 1.35 -1.37 0.13 112.91 113.91 2pg1 h THR 41 Ca -0.08 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.54 2pg1 h THR 41 Cb 0.60 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 2pg1 h THR 41 CO 0.13 0.11 0.01 1.23 -0.25 0.00 0.00 175.52 176.75 2pg1 h GLY 42 N 0.60 0.42 1.42 5.82 0.00 -1.39 -2.87 103.07 107.07 2pg1 h GLY 42 Ca 0.56 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 2pg1 h GLY 42 CO -0.32 0.28 0.15 1.46 0.00 0.00 0.00 176.54 178.10 2pg1 h GLN 43 N 0.17 0.74 -0.11 4.80 4.20 0.10 -2.01 115.11 123.01 2pg1 h GLN 43 Ca 0.07 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2pg1 h GLN 43 Cb 0.37 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2pg1 h GLN 43 CO 0.01 0.65 0.03 0.28 -0.67 0.00 0.00 178.83 179.13 2pg1 h VAL 44 N 0.72 0.97 -0.34 -0.54 2.07 -0.72 0.27 116.25 118.68 2pg1 h VAL 44 Ca 0.17 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 2pg1 h VAL 44 Cb 0.22 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2pg1 h VAL 44 CO -0.01 0.02 -0.08 -0.37 0.02 0.00 0.00 177.57 177.15 2pg1 h VAL 45 N 0.09 1.28 -0.88 2.57 -1.51 -1.33 -2.38 116.25 114.09 2pg1 h VAL 45 Ca 0.05 -1.14 -0.00 0.00 -1.23 0.00 0.00 66.70 64.38 2pg1 h VAL 45 Cb 0.03 1.32 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 2pg1 h VAL 45 CO -0.05 0.37 0.55 -0.33 -1.23 0.00 0.00 177.57 176.88 2pg1 h GLU 46 N 0.45 1.18 0.49 5.19 4.39 -1.13 -0.61 114.58 124.54 2pg1 h GLU 46 Ca 0.09 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2pg1 h GLU 46 Cb 0.58 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2pg1 h GLU 46 CO 0.03 0.81 -0.24 -0.91 -1.16 0.00 0.00 179.01 177.55 2pg1 h ASN 47 N 1.20 -0.56 -0.45 1.42 2.35 -0.35 0.11 115.58 119.30 2pg1 h ASN 47 Ca 0.32 -0.07 0.09 0.00 -0.55 0.00 0.00 56.30 56.09 2pg1 h ASN 47 Cb -0.08 0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.34 2pg1 h ASN 47 CO -0.06 -0.23 -0.20 0.00 -1.65 0.00 0.00 177.43 175.28 2pg1 h LEU 49 N -0.11 0.62 -0.11 0.00 3.38 -1.03 0.25 115.31 118.32 2pg1 h LEU 49 Ca 0.22 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2pg1 h LEU 49 Cb 0.44 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2pg1 h LEU 49 CO -0.53 0.36 -0.03 0.74 0.09 0.00 0.00 178.44 179.08 2pg1 h THR 50 N 0.74 0.89 -0.01 0.22 2.02 0.14 -1.80 112.91 115.12 2pg1 h THR 50 Ca 0.38 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.56 2pg1 h THR 50 Cb 0.35 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2pg1 h THR 50 CO -0.24 0.00 0.00 0.58 0.37 0.00 0.00 175.52 176.23 2pg1 h VAL 51 N -0.00 1.22 -0.25 3.16 2.07 -0.38 -2.61 116.25 119.46 2pg1 h VAL 51 Ca 0.05 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2pg1 h VAL 51 Cb 0.08 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2pg1 h VAL 51 CO -0.11 0.17 -0.04 -0.07 0.02 0.00 0.00 177.57 177.53 2pg1 h LEU 52 N -0.25 -0.19 -0.77 2.57 3.38 -0.44 -2.72 115.31 116.89 2pg1 h LEU 52 Ca 0.00 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2pg1 h LEU 52 Cb 0.28 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2pg1 h LEU 52 CO 0.00 -0.07 -0.04 0.71 0.09 0.00 0.00 178.44 179.14 2pg1 h THR 53 N 0.02 1.26 -0.76 0.22 1.35 -1.39 -3.00 112.91 110.61 2pg1 h THR 53 Ca 0.12 -1.12 0.20 0.00 -0.55 0.00 0.00 66.41 65.06 2pg1 h THR 53 Cb 0.18 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 2pg1 h THR 53 CO -0.24 0.40 0.53 0.50 -0.25 0.00 0.00 175.52 176.45 2pg1 h LYS 54 N 0.82 0.13 0.00 4.72 3.64 -1.13 -0.66 116.57 124.09 2pg1 h LYS 54 Ca 0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2pg1 h LYS 54 Cb 0.54 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2pg1 h LYS 54 CO 0.03 0.08 0.00 0.39 -2.27 0.00 0.00 179.45 177.68 2pg1 n GLU 55 N -4.38 0.43 -1.67 1.90 1.02 -1.13 -4.85 120.64 111.96 2pg1 n GLU 55 Ca 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.19 2pg1 n GLU 55 Cb 0.74 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.87 -1.58 -1.67 3.49 1.13 -0.25 -4.94 117.38 112.69 2pg1 n GLN 56 Ca 0.08 0.59 -0.32 0.00 -1.94 0.00 0.00 57.00 55.40 2pg1 n GLN 56 Cb 0.03 -4.90 0.05 0.00 0.11 0.00 0.00 30.24 25.53 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 -3.56 2.89 -0.85 -1.09 1.02 -1.26 -4.91 119.74 111.98 2pg1 s LYS 57 Ca 0.00 1.12 -0.08 0.00 0.02 0.00 0.00 55.97 57.03 2pg1 s LYS 57 Cb 0.00 -1.98 -0.17 0.00 -0.52 0.00 0.00 37.83 35.17 2pg1 s LYS 57 CO 0.00 -1.14 3.26 -0.35 -0.92 0.00 0.00 175.35 176.19 2pg1 n PRO 58 N -2.80 2.92 -4.18 -1.68 -0.04 -1.26 -4.90 135.00 123.04 2pg1 n PRO 58 Ca 0.09 -1.68 -0.15 0.00 -0.04 0.00 0.00 63.50 61.71 2pg1 n PRO 58 Cb 0.53 -2.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 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 1.48 1.12 -0.06 0.54 1.51 -1.26 -1.90 117.35 118.78 2pg1 s TYR 59 Ca 0.68 -0.62 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2pg1 s TYR 59 Cb 0.25 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.45 2pg1 s TYR 59 CO -0.04 0.03 0.14 0.15 -1.11 0.00 0.00 175.55 174.72 2pg1 s LYS 60 N -2.65 3.37 0.09 -0.62 1.02 0.13 -4.93 119.74 116.16 2pg1 s LYS 60 Ca 0.05 -0.26 0.07 0.00 0.02 0.00 0.00 55.97 55.85 2pg1 s LYS 60 Cb -0.04 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2pg1 s LYS 60 CO 0.01 0.72 -0.19 0.71 -0.92 0.00 0.00 175.35 175.68 2pg1 s TYR 61 N -1.15 1.65 -0.06 3.18 2.02 -1.26 -0.49 117.35 121.24 2pg1 s TYR 61 Ca 0.21 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2pg1 s TYR 61 Cb -0.12 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2pg1 s TYR 61 CO 0.11 0.16 -0.07 0.42 -1.57 0.00 0.00 175.55 174.59 2pg1 s ILE 62 N -1.15 0.78 -0.06 2.71 1.01 -0.14 -4.95 121.20 119.41 2pg1 s ILE 62 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.47 2pg1 s ILE 62 Cb -0.10 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2pg1 s ILE 62 CO 0.04 0.28 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 2pg1 s VAL 63 N 0.93 1.32 0.02 2.92 1.01 -1.26 -0.27 120.40 125.06 2pg1 s VAL 63 Ca -0.11 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2pg1 s VAL 63 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2pg1 s VAL 63 CO 0.01 0.39 -0.05 0.42 0.00 0.00 0.00 175.10 175.87 2pg1 s THR 64 N 0.37 0.34 0.23 3.92 -4.23 -0.59 -4.96 115.64 110.72 2pg1 s THR 64 Ca -0.11 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 2pg1 s THR 64 Cb -0.14 -0.37 -0.02 0.00 1.34 0.00 0.00 72.50 73.31 2pg1 s THR 64 CO 0.04 -0.17 0.22 0.00 -0.54 0.00 0.00 174.62 174.16 2pg1 n ALA 65 N 2.24 0.36 -3.90 3.99 0.00 -1.26 -1.04 120.51 120.90 2pg1 n ALA 65 Ca -0.18 -1.27 -0.03 0.00 0.00 0.00 0.00 53.44 51.96 2pg1 n ALA 65 Cb 0.57 1.03 0.02 0.00 0.00 0.00 0.00 19.45 21.07 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 -2.87 0.00 -0.21 0.00 1.01 -1.26 -5.01 121.20 112.86 2pg1 s ILE 67 Ca 0.26 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2pg1 s ILE 67 Cb 0.01 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.55 2pg1 s ILE 67 CO 0.18 0.00 -0.09 -1.58 0.00 0.00 0.00 174.94 173.46 2pg1 s GLN 69 N -2.08 1.89 0.13 2.79 0.74 -1.26 -4.96 119.66 116.90 2pg1 s GLN 69 Ca 0.23 -0.89 -0.35 0.00 0.05 0.00 0.00 55.36 54.40 2pg1 s GLN 69 Cb -0.03 -2.46 -0.15 0.00 1.10 0.00 0.00 33.01 31.47 2pg1 s GLN 69 CO 0.06 -0.48 1.50 1.17 -0.55 0.00 0.00 175.29 176.98 2pg1 n LYS 70 N 4.68 1.79 -0.20 1.67 4.81 0.92 -4.75 118.16 127.08 2pg1 n LYS 70 Ca -0.14 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2pg1 n LYS 70 Cb 0.46 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.13 2pg1 n LYS 70 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2pg1 n ASN 71 N 3.14 0.00 -0.36 3.14 5.15 -1.26 -4.95 115.26 120.12 2pg1 n ASN 71 Ca 0.18 -0.63 -0.03 0.00 -0.60 0.00 0.00 54.58 53.49 2pg1 n ASN 71 Cb 0.25 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.50 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 0.00 0.32 3.84 8.20 0.00 -1.26 -5.04 105.19 111.25 2pg1 n GLY 72 Ca 0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.16 3.78 0.20 4.61 0.00 -1.26 -5.08 121.76 121.85 2pg1 s ALA 73 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 2pg1 s ALA 73 Cb 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 2pg1 s ALA 73 CO 0.00 0.72 1.06 0.20 0.00 0.00 0.00 175.76 177.74 2pg1 s GLY 74 N -1.81 2.96 -0.02 0.00 0.00 -1.26 -5.05 107.32 102.14 2pg1 s GLY 74 Ca 0.25 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.77 2pg1 s GLY 74 CO 0.16 1.52 -0.08 -2.27 0.00 0.00 0.00 173.10 172.43 2pg1 s LEU 75 N -0.71 1.77 -0.04 0.66 2.96 -1.26 -5.14 118.68 116.92 2pg1 s LEU 75 Ca 0.47 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 2pg1 s LEU 75 Cb -0.29 -0.50 0.03 0.00 0.50 0.00 0.00 46.19 45.93 2pg1 s LEU 75 CO 0.35 0.05 0.08 -1.00 -1.32 0.00 0.00 176.35 174.52 2pg1 s HIS 76 N 0.22 -0.07 0.11 5.38 3.76 -1.26 -5.15 115.29 118.28 2pg1 s HIS 76 Ca -0.03 0.28 0.03 0.00 -0.15 0.00 0.00 55.06 55.19 2pg1 s HIS 76 Cb -0.08 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 2pg1 s HIS 76 CO 0.00 -0.11 -0.08 0.95 -0.85 0.00 0.00 174.74 174.65 2pg1 s THR 77 N 0.92 0.86 -0.12 1.30 -4.23 -1.26 -5.16 115.64 107.95 2pg1 s THR 77 Ca -0.07 -1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 2pg1 s THR 77 Cb -0.10 -1.65 0.04 0.00 1.34 0.00 0.00 72.50 72.13 2pg1 s THR 77 CO -0.04 -0.78 0.47 0.00 -0.54 0.00 0.00 174.62 173.73 2pg1 s ALA 78 N -3.31 -1.18 -0.13 3.99 0.00 -1.26 -5.17 121.76 114.70 2pg1 s ALA 78 Ca 0.12 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 2pg1 s ALA 78 Cb 0.03 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2pg1 s ALA 78 CO -0.02 -0.26 0.44 -1.54 0.00 0.00 0.00 175.76 174.38 2pg1 s SER 79 N -0.35 -0.43 0.25 0.00 1.04 -1.26 -5.16 113.70 107.79 2pg1 s SER 79 Ca -0.05 0.75 -0.06 0.00 0.48 0.00 0.00 55.95 57.07 2pg1 s SER 79 Cb -0.03 0.79 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 2pg1 s SER 79 CO 0.03 -0.24 0.36 -0.55 0.98 0.00 0.00 173.24 173.82 2pg1 s SER 80 N -0.13 0.24 0.14 7.02 0.15 -1.26 -5.19 113.70 114.67 2pg1 s SER 80 Ca -0.03 -1.21 -0.05 0.00 0.70 0.00 0.00 55.95 55.35 2pg1 s SER 80 Cb -0.03 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 2pg1 s SER 80 CO 0.02 -1.07 0.17 0.00 1.20 0.00 0.00 173.24 173.55 2pg1 s TYR 82 N -3.98 2.11 0.00 0.00 5.04 -1.26 -5.08 117.35 114.18 2pg1 s TYR 82 Ca 0.18 -2.09 0.00 0.00 -2.44 0.00 0.00 57.07 52.71 2pg1 s TYR 82 Cb 0.05 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.41 2pg1 s TYR 82 CO -0.01 -0.87 0.00 -2.67 -1.34 0.00 0.00 175.55 170.66 2pg1 n TRP 83 N 4.48 -0.03 -2.99 4.97 2.14 -1.26 -5.09 117.44 119.66 2pg1 n TRP 83 Ca 0.01 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.14 2pg1 n TRP 83 Cb 0.40 0.00 -0.04 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 1.35 6.29 0.00 -0.67 3.84 -1.26 -4.87 114.94 119.62 2pg1 s ASN 84 Ca 0.00 -1.45 0.01 0.00 0.21 0.00 0.00 52.86 51.64 2pg1 s ASN 84 Cb 0.00 -2.36 0.08 0.00 -0.55 0.00 0.00 41.25 38.42 2pg1 s ASN 84 CO 0.00 -1.21 0.64 0.59 -2.79 0.00 0.00 177.10 174.33 2pg1 n ASN 85 N 6.79 0.00 -0.09 -4.21 3.02 -1.26 -0.88 115.26 118.63 2pg1 n ASN 85 Ca 0.00 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 2pg1 n ASN 85 Cb 0.45 -0.07 -0.13 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.07 0.85 -0.00 6.41 -0.08 -1.26 -4.67 116.55 116.73 2pg1 n ASP 86 Ca 0.01 -0.01 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 2pg1 n ASP 86 Cb 0.01 0.83 -0.03 0.00 2.34 0.00 0.00 41.12 44.27 2pg1 n ASP 86 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2pg1 n THR 87 N -2.68 0.00 -3.58 5.18 -2.24 -0.79 -5.04 114.28 105.13 2pg1 n THR 87 Ca -0.29 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 60.97 2pg1 n THR 87 Cb 1.05 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 70.12 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 6.05 0.36 3.42 1.01 -0.06 -4.45 116.67 121.31 2pg1 s ASP 88 Ca 0.01 -0.12 -0.17 0.00 0.71 0.00 0.00 52.55 52.97 2pg1 s ASP 88 Cb 0.03 -1.38 0.05 0.00 1.01 0.00 0.00 42.92 42.63 2pg1 s ASP 88 CO 0.18 -0.35 0.79 -0.83 0.21 0.00 0.00 175.17 175.17 2pg1 s GLY 89 N -4.13 0.27 0.07 0.21 0.00 -0.51 -4.84 107.32 98.38 2pg1 s GLY 89 Ca 0.42 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 44.24 2pg1 s GLY 89 CO 0.31 -0.17 0.74 -1.35 0.00 0.00 0.00 173.10 172.62 2pg1 s SER 90 N -3.05 -0.48 -0.14 1.64 1.04 -1.26 -0.54 113.70 110.91 2pg1 s SER 90 Ca 0.15 0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 2pg1 s SER 90 Cb -0.05 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.62 2pg1 s SER 90 CO 0.10 -0.78 0.33 0.00 0.98 0.00 0.00 173.24 173.87 2pg1 s THR 92 N 1.43 2.27 -0.12 0.00 2.01 -1.26 -1.86 115.64 118.12 2pg1 s THR 92 Ca -0.09 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 2pg1 s THR 92 Cb -0.10 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2pg1 s THR 92 CO -0.11 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.61 2pg1 s VAL 93 N 1.10 3.78 -0.10 3.82 1.01 0.49 -4.95 120.40 125.54 2pg1 s VAL 93 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2pg1 s VAL 93 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2pg1 s VAL 93 CO -0.07 0.54 0.13 -0.13 0.00 0.00 0.00 175.10 175.58 2pg1 s ARG 94 N -0.15 3.39 -0.15 2.72 3.00 -1.26 -1.40 118.95 125.10 2pg1 s ARG 94 Ca 0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 55.73 55.46 2pg1 s ARG 94 Cb -0.13 -3.13 0.05 0.00 0.00 0.00 0.00 34.95 31.74 2pg1 s ARG 94 CO 0.03 0.75 0.37 -0.46 0.00 0.00 0.00 175.30 175.99 2pg1 s TRP 95 N -1.07 -0.48 0.11 -0.53 -0.00 0.64 -5.01 118.94 112.60 2pg1 s TRP 95 Ca 0.17 1.09 -0.09 0.00 -0.00 0.00 0.00 56.10 57.27 2pg1 s TRP 95 Cb -0.12 0.18 -0.00 0.00 -0.00 0.00 0.00 33.47 33.53 2pg1 s TRP 95 CO 0.06 -0.27 0.22 -1.83 -0.00 0.00 0.00 176.95 175.14 2pg1 s GLU 96 N 0.89 0.95 0.00 5.86 -1.05 -1.26 0.98 118.70 125.07 2pg1 s GLU 96 Ca -0.06 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 2pg1 s GLU 96 Cb -0.06 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2pg1 s GLU 96 CO -0.07 -0.32 0.00 0.27 0.95 0.00 0.00 175.26 176.09 2pg1 n ASN 97 N -0.11 0.00 -0.20 0.83 0.23 -1.26 -5.02 115.26 109.73 2pg1 n ASN 97 Ca -0.13 -0.28 -0.01 0.00 -0.53 0.00 0.00 54.58 53.63 2pg1 n ASN 97 Cb 0.63 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.38 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 -0.02 -1.06 -3.83 1.57 -2.02 -3.45 116.57 107.76 2pg1 h LYS 98 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 2pg1 h LYS 98 Cb 0.00 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.90 2pg1 h LYS 98 CO 0.00 -0.01 -0.66 0.25 -0.57 0.00 0.00 179.45 178.46 2pg1 n THR 99 N -5.42 2.56 -3.67 -0.16 -2.24 -1.26 -4.90 114.28 99.18 2pg1 n THR 99 Ca 0.07 -4.41 -0.08 0.00 -2.27 0.00 0.00 64.05 57.36 2pg1 n THR 99 Cb 0.32 -1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.60 -0.82 -0.06 4.78 2.02 -1.26 -0.06 117.35 118.35 2pg1 s TYR 101 Ca 0.51 1.65 0.01 0.00 -0.37 0.00 0.00 57.07 58.87 2pg1 s TYR 101 Cb 0.41 0.42 0.02 0.00 -0.40 0.00 0.00 41.96 42.41 2pg1 s TYR 101 CO -0.05 -0.44 -0.08 0.00 -1.57 0.00 0.00 175.55 173.40 2pg1 s ILE 103 N 0.85 1.66 0.02 0.00 1.01 -1.26 -0.26 121.20 123.21 2pg1 s ILE 103 Ca -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2pg1 s ILE 103 Cb -0.15 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2pg1 s ILE 103 CO 0.01 0.47 -0.05 -0.69 0.00 0.00 0.00 174.94 174.68 2pg1 s VAL 104 N -0.20 0.35 0.01 2.92 1.01 -0.49 -4.36 120.40 119.63 2pg1 s VAL 104 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2pg1 s VAL 104 Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2pg1 s VAL 104 CO 0.01 -0.18 -0.01 -0.44 0.00 0.00 0.00 175.10 174.48 2pg1 s SER 105 N -0.85 0.16 -0.03 3.32 0.01 -0.20 -0.38 113.70 115.73 2pg1 s SER 105 Ca -0.06 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2pg1 s SER 105 Cb -0.06 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2pg1 s SER 105 CO -0.00 -0.22 -0.01 0.54 0.41 0.00 0.00 173.24 173.95 2pg1 s VAL 106 N -1.05 0.25 -0.15 3.43 0.11 -0.77 -1.54 120.40 120.68 2pg1 s VAL 106 Ca -0.12 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2pg1 s VAL 106 Cb -0.07 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2pg1 s VAL 106 CO -0.01 0.14 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.37 2pg1 s PHE 107 N 0.78 2.73 -0.26 1.54 0.08 0.62 -1.92 117.98 121.56 2pg1 s PHE 107 Ca -0.08 -1.11 -0.06 0.00 0.12 0.00 0.00 56.93 55.80 2pg1 s PHE 107 Cb -0.12 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 2pg1 s PHE 107 CO -0.01 -0.50 0.04 0.20 -0.10 0.00 0.00 175.22 174.85 2pg1 s GLY 108 N 0.76 1.72 -0.13 4.36 0.00 0.30 -0.96 107.32 113.37 2pg1 s GLY 108 Ca -0.07 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.39 2pg1 s GLY 108 CO 0.00 0.55 -0.17 1.08 0.00 0.00 0.00 173.10 174.56 2pg1 s LEU 109 N 1.52 2.45 0.78 0.66 1.02 0.36 -1.42 118.68 124.05 2pg1 s LEU 109 Ca 0.05 -0.44 -0.14 0.00 0.02 0.00 0.00 54.13 53.61 2pg1 s LEU 109 Cb -0.16 -1.54 0.06 0.00 0.02 0.00 0.00 46.19 44.58 2pg1 s LEU 109 CO 0.01 0.14 1.15 0.00 0.02 0.00 0.00 176.35 177.67 2pg1 n ALA 110 N 3.67 0.03 0.00 4.21 0.00 -1.26 0.22 120.51 127.38 2pg1 n ALA 110 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2pg1 n ALA 110 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2pg1 n ALA 110 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83