#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pg1 s ALA 6 N 0.00 3.73 -0.26 3.14 0.00 -1.26 -2.73 121.76 124.38 2pg1 s ALA 6 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 2pg1 s ALA 6 Cb 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 23.12 21.00 2pg1 s ALA 6 CO 0.00 0.35 0.02 0.08 0.00 0.00 0.00 175.76 176.21 2pg1 s VAL 7 N -0.31 1.15 -0.80 0.00 1.01 0.09 -4.99 120.40 116.55 2pg1 s VAL 7 Ca 0.15 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.66 2pg1 s VAL 7 Cb -0.13 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2pg1 s VAL 7 CO 0.04 -0.34 1.41 -0.63 0.00 0.00 0.00 175.10 175.58 2pg1 s ILE 8 N 1.53 3.72 -0.03 2.22 -1.09 -1.26 -0.45 121.20 125.84 2pg1 s ILE 8 Ca 0.01 0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.30 2pg1 s ILE 8 Cb -0.18 -4.82 -0.13 0.00 -1.58 0.00 0.00 42.46 35.75 2pg1 s ILE 8 CO -0.12 -1.75 0.84 0.50 -1.23 0.00 0.00 174.94 173.18 2pg1 h LYS 9 N 10.51 -0.42 -3.36 2.79 1.63 -1.82 -3.45 116.57 122.47 2pg1 h LYS 9 Ca -0.14 0.03 -0.44 0.00 -0.85 0.00 0.00 60.65 59.25 2pg1 h LYS 9 Cb 1.05 0.10 -0.40 0.00 -0.60 0.00 0.00 32.23 32.38 2pg1 h LYS 9 CO 1.31 -0.12 -0.75 1.21 -3.45 0.00 0.00 179.45 177.65 2pg1 s ASN 10 N -5.12 1.89 0.10 4.20 3.84 -0.90 -5.03 114.94 113.92 2pg1 s ASN 10 Ca -0.11 -0.31 0.03 0.00 0.21 0.00 0.00 52.86 52.68 2pg1 s ASN 10 Cb 0.01 -0.31 -0.04 0.00 -0.55 0.00 0.00 41.25 40.36 2pg1 s ASN 10 CO 0.38 -0.28 -0.09 0.00 -2.79 0.00 0.00 177.10 174.32 2pg1 s ALA 11 N 2.07 1.08 -0.46 1.71 0.00 -1.26 0.11 121.76 125.01 2pg1 s ALA 11 Ca 0.03 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.86 2pg1 s ALA 11 Cb -0.14 0.05 0.23 0.00 0.00 0.00 0.00 23.12 23.26 2pg1 s ALA 11 CO -0.06 -0.06 0.74 -3.47 0.00 0.00 0.00 175.76 172.91 2pg1 n ASP 12 N 0.50 -1.98 -3.50 0.00 2.03 -0.38 -4.96 116.55 108.26 2pg1 n ASP 12 Ca -0.16 -3.05 -0.09 0.00 0.52 0.00 0.00 54.79 52.02 2pg1 n ASP 12 Cb 0.58 1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 41.98 2pg1 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pg1 s MET 13 N 0.16 0.88 0.13 -0.67 0.23 -1.25 -2.39 119.30 116.39 2pg1 s MET 13 Ca 0.33 -0.33 -0.27 0.00 -1.03 0.00 0.00 55.69 54.38 2pg1 s MET 13 Cb 0.18 0.41 -0.16 0.00 -1.53 0.00 0.00 34.83 33.73 2pg1 s MET 13 CO -0.19 -0.39 0.59 0.45 -2.03 0.00 0.00 175.02 173.45 2pg1 n SER 14 N -0.26 -0.80 -0.25 -1.18 2.88 -1.26 -4.58 113.62 108.15 2pg1 n SER 14 Ca -0.10 1.00 0.03 0.00 -1.33 0.00 0.00 58.87 58.47 2pg1 n SER 14 Cb 0.62 -0.83 0.25 0.00 -0.75 0.00 0.00 64.21 63.51 2pg1 n SER 14 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2pg1 h GLU 15 N 1.35 0.97 -0.38 -1.46 4.39 -2.00 0.29 114.58 117.75 2pg1 h GLU 15 Ca -0.30 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 2pg1 h GLU 15 Cb 1.26 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2pg1 h GLU 15 CO 0.52 0.64 -0.03 1.49 -1.16 0.00 0.00 179.01 180.48 2pg1 h GLU 16 N 1.00 0.69 -0.08 2.33 4.81 -2.00 -2.56 114.58 118.77 2pg1 h GLU 16 Ca 0.33 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2pg1 h GLU 16 Cb 0.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2pg1 h GLU 16 CO -0.10 0.80 -0.23 1.98 -0.73 0.00 0.00 179.01 180.73 2pg1 h MET 17 N 0.50 0.13 -0.05 1.92 4.05 -1.53 -1.01 114.93 118.93 2pg1 h MET 17 Ca 0.10 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2pg1 h MET 17 Cb 0.51 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2pg1 h MET 17 CO 0.02 0.35 0.00 1.96 0.23 0.00 0.00 176.91 179.48 2pg1 h GLN 18 N 0.12 0.09 -0.21 0.39 4.20 -0.23 -0.86 115.11 118.60 2pg1 h GLN 18 Ca 0.02 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2pg1 h GLN 18 Cb 0.47 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 2pg1 h GLN 18 CO 0.03 0.36 -0.03 0.37 -0.67 0.00 0.00 178.83 178.90 2pg1 h GLN 19 N -0.19 0.03 -0.99 1.46 5.75 -1.17 -0.11 115.11 119.89 2pg1 h GLN 19 Ca 0.02 -0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.72 2pg1 h GLN 19 Cb 0.32 -0.01 -0.11 0.00 1.07 0.00 0.00 27.48 28.75 2pg1 h GLN 19 CO 0.00 0.02 0.59 0.22 -2.65 0.00 0.00 178.83 177.02 2pg1 h ASP 20 N 0.03 0.74 0.67 -0.69 3.58 -1.03 0.15 116.42 119.87 2pg1 h ASP 20 Ca 0.10 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 2pg1 h ASP 20 Cb 0.14 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.18 2pg1 h ASP 20 CO -0.19 0.23 -0.32 0.00 -2.88 0.00 0.00 179.24 176.07 2pg1 h ALA 21 N 1.66 -0.90 -0.74 -0.78 0.00 0.41 -2.43 119.26 116.48 2pg1 h ALA 21 Ca 0.59 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.40 2pg1 h ALA 21 Cb 0.97 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2pg1 h ALA 21 CO -0.41 -0.91 0.34 0.28 0.00 0.00 0.00 179.25 178.54 2pg1 h VAL 22 N -1.09 0.75 0.38 0.00 2.07 -0.21 -0.95 116.25 117.20 2pg1 h VAL 22 Ca -0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2pg1 h VAL 22 Cb 0.73 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2pg1 h VAL 22 CO 0.15 0.10 -0.32 0.44 0.02 0.00 0.00 177.57 177.95 2pg1 h ASP 23 N 0.53 -0.87 -1.01 0.57 5.19 -1.00 -1.17 116.42 118.66 2pg1 h ASP 23 Ca 0.39 0.06 0.25 0.00 -0.62 0.00 0.00 57.03 57.11 2pg1 h ASP 23 Cb 0.51 0.28 -0.12 0.00 0.18 0.00 0.00 39.33 40.18 2pg1 h ASP 23 CO -0.34 -0.45 0.60 0.00 -3.12 0.00 0.00 179.24 175.94 2pg1 h ALA 25 N 1.72 0.12 0.11 0.00 0.00 -0.86 -1.05 119.26 119.30 2pg1 h ALA 25 Ca 0.64 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.47 2pg1 h ALA 25 Cb 1.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2pg1 h ALA 25 CO -0.46 -0.28 -0.31 1.15 0.00 0.00 0.00 179.25 179.36 2pg1 h THR 26 N -0.02 0.34 -0.88 0.00 2.02 0.19 0.02 112.91 114.58 2pg1 h THR 26 Ca 0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2pg1 h THR 26 Cb 0.19 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 66.86 2pg1 h THR 26 CO -0.00 0.00 0.51 1.56 0.37 0.00 0.00 175.52 177.96 2pg1 h GLN 27 N -0.52 0.79 -0.12 6.66 4.20 -1.24 -1.45 115.11 123.43 2pg1 h GLN 27 Ca 0.03 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2pg1 h GLN 27 Cb 0.56 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2pg1 h GLN 27 CO -0.19 0.52 0.01 0.00 -0.67 0.00 0.00 178.83 178.51 2pg1 h ALA 28 N 1.50 0.11 -0.06 3.87 0.00 -0.28 -2.18 119.26 122.23 2pg1 h ALA 28 Ca 0.44 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.40 2pg1 h ALA 28 Cb 0.47 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pg1 h ALA 28 CO -0.28 -0.45 0.13 -0.07 0.00 0.00 0.00 179.25 178.59 2pg1 h LEU 29 N 0.06 0.00 -3.44 0.00 3.38 0.06 -1.19 115.31 114.17 2pg1 h LEU 29 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2pg1 h LEU 29 Cb 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 2pg1 h LEU 29 CO -0.08 0.00 0.06 -1.84 0.09 0.00 0.00 178.44 176.66 2pg1 n GLU 30 N -3.35 2.22 0.00 1.13 0.28 -0.83 -4.30 120.64 115.79 2pg1 n GLU 30 Ca -0.01 -3.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.90 2pg1 n GLU 30 Cb 0.21 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.19 2pg1 n GLU 30 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2pg1 n LYS 31 N -0.95 1.64 -4.13 3.44 5.02 -0.54 -5.04 118.16 117.60 2pg1 n LYS 31 Ca 0.35 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.51 2pg1 n LYS 31 Cb 1.12 -0.67 -0.11 0.00 -0.02 0.00 0.00 35.03 35.34 2pg1 n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2pg1 s TYR 32 N -1.29 0.87 -0.05 2.13 2.02 -0.69 -5.04 117.35 115.30 2pg1 s TYR 32 Ca 0.00 -0.65 0.10 0.00 -0.37 0.00 0.00 57.07 56.15 2pg1 s TYR 32 Cb 0.00 -0.50 -0.15 0.00 -0.40 0.00 0.00 41.96 40.92 2pg1 s TYR 32 CO 0.00 -0.07 0.15 0.09 -1.57 0.00 0.00 175.55 174.14 2pg1 n ASN 33 N 0.81 2.55 -4.67 2.29 3.02 -1.26 -4.59 115.26 113.40 2pg1 n ASN 33 Ca -0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 2pg1 n ASN 33 Cb 0.57 1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 40.86 2pg1 n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pg1 s ILE 34 N -2.52 4.82 0.19 2.41 1.01 -1.26 -4.94 121.20 120.91 2pg1 s ILE 34 Ca -0.04 1.83 -0.14 0.00 0.00 0.00 0.00 60.65 62.30 2pg1 s ILE 34 Cb 0.05 -4.22 0.15 0.00 0.01 0.00 0.00 42.46 38.44 2pg1 s ILE 34 CO 0.43 -0.01 1.67 -0.33 0.00 0.00 0.00 174.94 176.70 2pg1 h GLU 35 N 7.27 0.07 -0.86 2.79 5.08 -1.93 -0.46 114.58 126.55 2pg1 h GLU 35 Ca -0.28 -0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.29 2pg1 h GLU 35 Cb 1.13 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 2pg1 h GLU 35 CO 0.87 0.05 0.24 -0.22 -1.00 0.00 0.00 179.01 178.94 2pg1 h LYS 36 N 0.08 0.23 0.00 2.33 3.64 -1.92 0.34 116.57 121.26 2pg1 h LYS 36 Ca 0.26 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.46 2pg1 h LYS 36 Cb 0.40 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2pg1 h LYS 36 CO -0.47 0.15 -0.77 -0.44 -2.27 0.00 0.00 179.45 175.66 2pg1 h ASP 37 N 0.24 0.00 0.13 4.20 3.32 -1.55 -2.74 116.42 120.02 2pg1 h ASP 37 Ca 0.53 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.57 2pg1 h ASP 37 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2pg1 h ASP 37 CO -0.62 0.77 -0.06 0.40 -1.72 0.00 0.00 179.24 178.00 2pg1 h ILE 38 N 0.00 0.88 0.22 0.35 1.08 0.92 -1.97 117.51 118.99 2pg1 h ILE 38 Ca -0.01 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2pg1 h ILE 38 Cb 1.39 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 2pg1 h ILE 38 CO 0.10 0.01 -0.46 0.00 -0.69 0.00 0.00 178.15 177.11 2pg1 h ALA 39 N 0.68 -0.89 -0.83 1.87 0.00 -1.02 -2.59 119.26 116.47 2pg1 h ALA 39 Ca -0.02 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.96 2pg1 h ALA 39 Cb 0.15 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 2pg1 h ALA 39 CO 0.03 -1.06 -0.10 0.00 0.00 0.00 0.00 179.25 178.12 2pg1 h ALA 40 N -0.42 0.73 -0.17 0.00 0.00 -1.30 0.49 119.26 118.60 2pg1 h ALA 40 Ca -0.01 0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2pg1 h ALA 40 Cb 0.74 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2pg1 h ALA 40 CO -0.20 -0.44 -0.10 -0.92 0.00 0.00 0.00 179.25 177.59 2pg1 h TYR 41 N 0.04 -0.25 0.47 0.00 3.20 -0.98 -1.62 116.97 117.83 2pg1 h TYR 41 Ca 0.44 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.30 2pg1 h TYR 41 Cb 0.75 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2pg1 h TYR 41 CO -0.55 -0.16 -0.23 0.82 -1.64 0.00 0.00 178.16 176.41 2pg1 h ILE 42 N -0.10 0.52 -0.94 1.81 2.04 -0.76 -2.86 117.51 117.21 2pg1 h ILE 42 Ca 0.10 -0.21 0.16 0.00 1.00 0.00 0.00 64.86 65.91 2pg1 h ILE 42 Cb 0.24 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2pg1 h ILE 42 CO -0.23 0.04 0.60 0.50 0.00 0.00 0.00 178.15 179.06 2pg1 h LYS 43 N -0.76 0.70 -0.01 2.37 3.11 -0.94 -1.16 116.57 119.88 2pg1 h LYS 43 Ca -0.06 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 57.62 2pg1 h LYS 43 Cb 0.55 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2pg1 h LYS 43 CO 0.11 0.46 -0.54 0.87 -2.81 0.00 0.00 179.45 177.54 2pg1 h LYS 44 N 0.72 0.02 -0.17 1.90 1.57 -1.22 -2.15 116.57 117.24 2pg1 h LYS 44 Ca 0.50 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 59.08 2pg1 h LYS 44 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2pg1 h LYS 44 CO -0.26 0.56 -0.63 0.93 -0.57 0.00 0.00 179.45 179.48 2pg1 h GLU 45 N 0.02 0.60 0.00 3.15 5.08 -0.99 -2.62 114.58 119.82 2pg1 h GLU 45 Ca -0.00 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2pg1 h GLU 45 Cb 0.96 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2pg1 h GLU 45 CO 0.07 1.04 -0.26 0.74 -1.00 0.00 0.00 179.01 179.60 2pg1 h PHE 46 N 0.44 0.00 0.00 4.33 -1.00 -1.38 0.33 116.94 119.66 2pg1 h PHE 46 Ca -0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 2pg1 h PHE 46 Cb 1.20 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.75 2pg1 h PHE 46 CO 0.06 0.26 -0.60 -0.44 -1.61 0.00 0.00 178.31 175.97 2pg1 h ASP 47 N 0.00 0.00 0.00 2.17 3.32 -1.32 -1.62 116.42 118.97 2pg1 h ASP 47 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2pg1 h ASP 47 Cb 1.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2pg1 h ASP 47 CO 0.03 0.60 -0.15 0.50 -1.72 0.00 0.00 179.24 178.51 2pg1 h LYS 48 N 0.00 0.00 0.00 3.56 3.64 -1.24 -2.73 116.57 119.80 2pg1 h LYS 48 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2pg1 h LYS 48 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2pg1 h LYS 48 CO 0.08 0.45 -0.21 1.17 -2.27 0.00 0.00 179.45 178.66 2pg1 n LYS 49 N -4.67 0.25 -0.23 1.90 4.81 0.09 -4.15 118.16 116.15 2pg1 n LYS 49 Ca -0.07 0.16 0.02 0.00 -0.87 0.00 0.00 58.31 57.54 2pg1 n LYS 49 Cb 0.26 -1.74 0.02 0.00 0.02 0.00 0.00 35.03 33.59 2pg1 n LYS 49 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2pg1 n TYR 50 N -2.15 0.00 -0.65 5.64 4.02 -0.63 -5.04 117.16 118.35 2pg1 n TYR 50 Ca 0.05 -0.21 0.03 0.00 -0.01 0.00 0.00 57.90 57.75 2pg1 n TYR 50 Cb 0.43 -0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 2pg1 n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2pg1 n ASN 51 N -0.28 -3.53 -4.71 7.72 3.02 -1.03 -4.90 115.26 111.54 2pg1 n ASN 51 Ca 0.03 0.74 -0.29 0.00 -0.03 0.00 0.00 54.58 55.03 2pg1 n ASN 51 Cb 0.58 -1.79 0.15 0.00 -0.61 0.00 0.00 39.78 38.12 2pg1 n ASN 51 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2pg1 s PRO 52 N -4.25 0.95 -0.23 3.52 0.02 -1.21 -4.32 135.00 129.49 2pg1 s PRO 52 Ca 0.00 0.67 -0.01 0.00 0.02 0.00 0.00 61.00 61.69 2pg1 s PRO 52 Cb 0.00 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.76 2pg1 s PRO 52 CO 0.00 -2.41 -0.10 0.99 -0.33 0.00 0.00 177.00 175.15 2pg1 s THR 53 N -2.97 2.63 0.19 0.99 2.01 -1.26 -4.87 115.64 112.36 2pg1 s THR 53 Ca 0.64 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2pg1 s THR 53 Cb -0.18 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2pg1 s THR 53 CO 0.57 0.26 0.34 0.26 -0.69 0.00 0.00 174.62 175.36 2pg1 s TRP 54 N 1.30 3.48 -0.02 4.92 0.52 -1.26 -1.97 118.94 125.90 2pg1 s TRP 54 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.29 2pg1 s TRP 54 Cb -0.16 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.47 2pg1 s TRP 54 CO -0.06 0.44 -0.02 -1.01 0.02 0.00 0.00 176.95 176.32 2pg1 s HIS 55 N -1.86 0.37 -0.02 -1.98 3.76 0.05 -4.97 115.29 110.65 2pg1 s HIS 55 Ca 0.36 -0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 2pg1 s HIS 55 Cb -0.10 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 2pg1 s HIS 55 CO 0.29 -0.09 -0.15 0.00 -0.85 0.00 0.00 174.74 173.94 2pg1 s ILE 57 N -0.21 1.26 -0.29 0.00 -1.09 0.91 -4.86 121.20 116.92 2pg1 s ILE 57 Ca 0.03 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.74 2pg1 s ILE 57 Cb -0.07 -1.39 0.05 0.00 -1.58 0.00 0.00 42.46 39.47 2pg1 s ILE 57 CO 0.00 0.17 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.17 2pg1 s VAL 58 N 1.57 2.86 0.21 2.92 1.01 -1.26 -1.16 120.40 126.55 2pg1 s VAL 58 Ca 0.01 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 2pg1 s VAL 58 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2pg1 s VAL 58 CO -0.08 -0.05 0.34 0.61 0.00 0.00 0.00 175.10 175.92 2pg1 n GLY 59 N 4.60 2.14 0.03 4.51 0.00 -0.65 -4.68 105.19 111.13 2pg1 n GLY 59 Ca -0.14 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.50 2pg1 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pg1 n ARG 60 N -0.32 2.86 -3.15 1.61 1.74 -1.26 0.09 116.66 118.22 2pg1 n ARG 60 Ca -0.02 -0.29 0.04 0.00 -0.77 0.00 0.00 57.85 56.81 2pg1 n ARG 60 Cb 0.34 -0.79 -0.00 0.00 -1.02 0.00 0.00 32.46 30.99 2pg1 n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pg1 s ASN 61 N -0.60 -1.56 -0.13 0.55 3.84 -1.26 -4.93 114.94 110.84 2pg1 s ASN 61 Ca 0.01 0.14 -0.30 0.00 0.21 0.00 0.00 52.86 52.91 2pg1 s ASN 61 Cb 0.01 1.99 0.13 0.00 -0.55 0.00 0.00 41.25 42.82 2pg1 s ASN 61 CO 0.03 -0.28 1.02 0.72 -2.79 0.00 0.00 177.10 175.80 2pg1 s PHE 62 N 2.79 -0.31 0.16 0.43 -0.12 -1.26 -5.17 117.98 114.50 2pg1 s PHE 62 Ca 0.11 0.40 0.09 0.00 -0.05 0.00 0.00 56.93 57.49 2pg1 s PHE 62 Cb -0.09 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2pg1 s PHE 62 CO -0.25 -0.36 -0.21 0.20 -0.05 0.00 0.00 175.22 174.56 2pg1 s GLY 63 N -1.64 1.45 0.22 1.99 0.00 -1.26 -5.14 107.32 102.95 2pg1 s GLY 63 Ca 0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 44.72 43.12 2pg1 s GLY 63 CO -0.03 -1.52 0.47 -1.35 0.00 0.00 0.00 173.10 170.68 2pg1 s SER 64 N -2.50 -0.12 -0.31 1.64 1.04 -1.26 -5.12 113.70 107.06 2pg1 s SER 64 Ca 0.15 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.83 2pg1 s SER 64 Cb -0.07 0.57 0.17 0.00 0.10 0.00 0.00 66.02 66.78 2pg1 s SER 64 CO 0.07 -1.09 0.45 -0.47 0.98 0.00 0.00 173.24 173.19 2pg1 s TYR 65 N -3.97 -1.12 0.33 5.02 5.04 -1.26 -5.16 117.35 116.24 2pg1 s TYR 65 Ca 0.17 0.28 0.08 0.00 -2.44 0.00 0.00 57.07 55.16 2pg1 s TYR 65 Cb -0.00 -0.07 -0.06 0.00 0.35 0.00 0.00 41.96 42.17 2pg1 s TYR 65 CO 0.04 -1.02 -0.06 0.14 -1.34 0.00 0.00 175.55 173.31 2pg1 s VAL 66 N 2.38 1.94 0.07 3.14 -7.23 -1.26 -5.15 120.40 114.29 2pg1 s VAL 66 Ca 0.11 -2.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2pg1 s VAL 66 Cb -0.12 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2pg1 s VAL 66 CO -0.24 -0.19 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.37 2pg1 s THR 67 N -2.80 3.39 0.21 5.32 2.01 -1.26 -5.14 115.64 117.37 2pg1 s THR 67 Ca 0.32 -1.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 2pg1 s THR 67 Cb 0.04 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 70.02 2pg1 s THR 67 CO 0.15 0.22 0.44 -1.38 -0.69 0.00 0.00 174.62 173.36 2pg1 s HIS 68 N -1.12 0.26 0.37 4.92 -3.43 -1.26 -4.73 115.29 110.31 2pg1 s HIS 68 Ca 0.19 -0.62 -0.23 0.00 -0.80 0.00 0.00 55.06 53.60 2pg1 s HIS 68 Cb -0.11 0.17 -0.10 0.00 -1.43 0.00 0.00 32.58 31.11 2pg1 s HIS 68 CO 0.11 -0.90 0.94 -1.21 -2.00 0.00 0.00 174.74 171.67 2pg1 s GLU 69 N -3.97 4.38 0.72 -0.38 2.02 -0.69 -5.00 118.70 115.78 2pg1 s GLU 69 Ca 0.18 1.20 -0.16 0.00 0.02 0.00 0.00 54.97 56.21 2pg1 s GLU 69 Cb 0.00 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 2pg1 s GLU 69 CO 0.04 0.12 0.76 2.41 0.02 0.00 0.00 175.26 178.62 2pg1 n THR 70 N -0.07 2.28 -0.75 3.63 -1.04 -1.26 -1.96 114.28 115.11 2pg1 n THR 70 Ca 0.04 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2pg1 n THR 70 Cb 0.52 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 2pg1 n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pg1 n ARG 71 N -1.36 -0.91 -3.12 -2.82 1.74 -1.23 -4.82 116.66 104.14 2pg1 n ARG 71 Ca 0.12 0.23 -0.25 0.00 -0.77 0.00 0.00 57.85 57.18 2pg1 n ARG 71 Cb 0.50 -4.65 -0.05 0.00 -1.02 0.00 0.00 32.46 27.23 2pg1 n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2pg1 n HIS 72 N -2.02 2.70 -3.61 -1.55 8.25 -0.83 -4.07 115.22 114.09 2pg1 n HIS 72 Ca 0.00 -3.95 -0.15 0.00 -0.26 0.00 0.00 57.72 53.35 2pg1 n HIS 72 Cb 0.23 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 2pg1 n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2pg1 s PHE 73 N -2.81 -0.45 -0.29 4.41 2.19 -1.06 -1.48 117.98 118.49 2pg1 s PHE 73 Ca 0.44 0.69 -0.22 0.00 0.33 0.00 0.00 56.93 58.17 2pg1 s PHE 73 Cb 0.26 0.30 0.15 0.00 -1.31 0.00 0.00 43.02 42.41 2pg1 s PHE 73 CO -0.10 -0.56 1.12 -1.50 1.83 0.00 0.00 175.22 176.02 2pg1 s ILE 74 N -1.60 0.00 -0.38 3.12 2.07 -1.18 -1.25 121.20 121.99 2pg1 s ILE 74 Ca -0.10 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2pg1 s ILE 74 Cb -0.02 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.70 2pg1 s ILE 74 CO 0.05 0.00 0.20 -0.47 -1.91 0.00 0.00 174.94 172.81 2pg1 s TYR 75 N 0.58 1.32 0.09 3.50 5.04 0.12 -2.16 117.35 125.84 2pg1 s TYR 75 Ca -0.00 -1.91 0.10 0.00 -2.44 0.00 0.00 57.07 52.81 2pg1 s TYR 75 Cb -0.04 -1.40 -0.04 0.00 0.35 0.00 0.00 41.96 40.83 2pg1 s TYR 75 CO -0.11 -0.82 -0.25 -0.59 -1.34 0.00 0.00 175.55 172.45 2pg1 s PHE 76 N 0.91 2.36 -0.00 4.97 -0.71 -0.93 -2.11 117.98 122.46 2pg1 s PHE 76 Ca 0.16 -0.36 -0.08 0.00 -1.04 0.00 0.00 56.93 55.61 2pg1 s PHE 76 Cb -0.23 -1.32 -0.05 0.00 -1.21 0.00 0.00 43.02 40.21 2pg1 s PHE 76 CO -0.05 0.27 0.29 0.71 -1.34 0.00 0.00 175.22 175.10 2pg1 s TYR 77 N -0.98 3.61 -0.41 3.49 1.51 0.40 -1.50 117.35 123.46 2pg1 s TYR 77 Ca 0.14 0.66 0.02 0.00 -1.01 0.00 0.00 57.07 56.87 2pg1 s TYR 77 Cb -0.10 -2.05 0.13 0.00 -0.11 0.00 0.00 41.96 39.83 2pg1 s TYR 77 CO 0.05 0.63 0.21 -1.17 -1.11 0.00 0.00 175.55 174.16 2pg1 s LEU 78 N -1.56 2.70 0.00 -1.29 0.20 0.61 -0.73 118.68 118.61 2pg1 s LEU 78 Ca 0.26 -2.44 0.00 0.00 0.69 0.00 0.00 54.13 52.63 2pg1 s LEU 78 Cb -0.14 -1.03 0.00 0.00 -0.43 0.00 0.00 46.19 44.59 2pg1 s LEU 78 CO 0.14 -0.30 0.00 0.61 -0.29 0.00 0.00 176.35 176.51 2pg1 n GLY 79 N 3.79 0.31 0.09 7.98 0.00 -1.10 -2.79 105.19 113.47 2pg1 n GLY 79 Ca 0.07 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.42 2pg1 n GLY 79 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pg1 h GLN 80 N 0.00 0.00 -6.46 1.61 7.50 -1.95 -3.46 115.11 112.34 2pg1 h GLN 80 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 2pg1 h GLN 80 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 2pg1 h GLN 80 CO 0.00 0.00 0.22 0.08 -1.50 0.00 0.00 178.83 177.63 2pg1 s VAL 81 N -3.17 4.51 -0.14 -0.54 1.01 -1.12 -4.73 120.40 116.22 2pg1 s VAL 81 Ca 0.07 1.78 -0.04 0.00 0.00 0.00 0.00 61.98 63.79 2pg1 s VAL 81 Cb 0.12 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2pg1 s VAL 81 CO 0.69 0.42 0.01 0.00 0.00 0.00 0.00 175.10 176.22 2pg1 s ALA 82 N -0.51 3.27 -0.14 5.51 0.00 0.11 -0.29 121.76 129.71 2pg1 s ALA 82 Ca 0.39 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2pg1 s ALA 82 Cb -0.22 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2pg1 s ALA 82 CO 0.26 0.36 -0.21 0.42 0.00 0.00 0.00 175.76 176.60 2pg1 s ILE 83 N -0.17 1.98 -0.26 0.00 1.09 -0.56 -1.64 121.20 121.64 2pg1 s ILE 83 Ca 0.05 -0.93 -0.02 0.00 -1.10 0.00 0.00 60.65 58.66 2pg1 s ILE 83 Cb -0.12 -1.76 0.03 0.00 -1.06 0.00 0.00 42.46 39.54 2pg1 s ILE 83 CO 0.02 0.53 -0.05 -0.22 -0.10 0.00 0.00 174.94 175.12 2pg1 s LEU 84 N 0.89 3.29 -0.31 2.97 2.96 -0.31 -2.20 118.68 125.97 2pg1 s LEU 84 Ca -0.06 -0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 52.92 2pg1 s LEU 84 Cb -0.15 -1.67 0.10 0.00 0.50 0.00 0.00 46.19 44.97 2pg1 s LEU 84 CO -0.03 -0.15 0.12 -0.22 -1.32 0.00 0.00 176.35 174.75 2pg1 s LEU 85 N 1.32 1.75 0.25 -0.68 2.96 -0.92 -0.06 118.68 123.30 2pg1 s LEU 85 Ca -0.01 -1.63 0.06 0.00 -0.22 0.00 0.00 54.13 52.34 2pg1 s LEU 85 Cb -0.17 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 2pg1 s LEU 85 CO -0.04 -0.41 -0.07 0.72 -1.32 0.00 0.00 176.35 175.23 2pg1 s PHE 86 N 1.65 1.84 -0.09 5.38 -0.71 -0.68 -3.10 117.98 122.26 2pg1 s PHE 86 Ca 0.10 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.30 2pg1 s PHE 86 Cb -0.18 -1.01 -0.02 0.00 -1.21 0.00 0.00 43.02 40.60 2pg1 s PHE 86 CO -0.26 0.25 -0.10 0.21 -1.34 0.00 0.00 175.22 173.98 2pg1 s LYS 87 N -3.73 2.95 -0.40 1.99 2.20 -0.55 -0.77 119.74 121.44 2pg1 s LYS 87 Ca 0.28 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 2pg1 s LYS 87 Cb 0.03 -2.57 0.17 0.00 -1.51 0.00 0.00 37.83 33.95 2pg1 s LYS 87 CO 0.10 0.48 0.57 0.45 -0.36 0.00 0.00 175.35 176.59 2pg1 s SER 88 N -0.34 -0.88 0.00 1.43 0.15 -0.83 -1.70 113.70 111.54 2pg1 s SER 88 Ca 0.04 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2pg1 s SER 88 Cb -0.13 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 2pg1 s SER 88 CO 0.02 -0.19 0.37 0.61 1.20 0.00 0.00 173.24 175.25