#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppa h VAL 2 N 0.00 0.12 0.00 -3.33 -1.51 -1.52 -1.73 116.25 108.28 1ppa h VAL 2 Ca 0.00 -0.24 -0.22 0.00 -1.23 0.00 0.00 66.70 65.02 1ppa h VAL 2 Cb 0.00 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1ppa h VAL 2 CO 0.00 0.02 -0.92 -0.07 -1.23 0.00 0.00 177.57 175.37 1ppa h LEU 3 N 0.00 0.44 -0.06 4.19 3.38 -1.94 0.09 115.31 121.40 1ppa h LEU 3 Ca -0.00 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 1ppa h LEU 3 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ppa h LEU 3 CO 0.00 1.15 -0.34 -0.33 0.09 0.00 0.00 178.44 179.01 1ppa h GLU 4 N 0.19 0.34 -0.83 1.13 3.07 -1.76 -3.04 114.58 113.68 1ppa h GLU 4 Ca -0.07 -0.29 0.08 0.00 -0.50 0.00 0.00 59.36 58.58 1ppa h GLU 4 Cb 1.55 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 29.45 1ppa h GLU 4 CO 0.15 0.93 0.50 1.25 -1.40 0.00 0.00 179.01 180.44 1ppa h LEU 5 N -0.15 0.75 -0.80 1.33 5.85 -1.30 -2.67 115.31 118.32 1ppa h LEU 5 Ca -0.02 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1ppa h LEU 5 Cb 1.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1ppa h LEU 5 CO 0.07 0.46 -0.15 1.23 -0.34 0.00 0.00 178.44 179.71 1ppa h GLY 6 N 0.88 0.81 0.97 3.75 0.00 -1.01 -1.61 103.07 106.86 1ppa h GLY 6 Ca 0.38 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1ppa h GLY 6 CO -0.20 0.58 0.04 1.70 0.00 0.00 0.00 176.54 178.66 1ppa h LYS 7 N 0.67 0.76 -0.31 4.80 3.64 -1.43 -1.21 116.57 123.50 1ppa h LYS 7 Ca 0.11 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1ppa h LYS 7 Cb 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1ppa h LYS 7 CO 0.04 0.80 0.02 0.52 -2.27 0.00 0.00 179.45 178.56 1ppa h MET 8 N 0.62 0.53 -0.68 1.90 2.86 -1.44 0.16 114.93 118.88 1ppa h MET 8 Ca 0.13 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1ppa h MET 8 Cb 0.43 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1ppa h MET 8 CO 0.01 0.66 0.40 0.82 1.06 0.00 0.00 176.91 179.86 1ppa h ILE 9 N 0.34 1.20 -0.75 -1.22 2.04 -1.27 -0.38 117.51 117.47 1ppa h ILE 9 Ca 0.09 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1ppa h ILE 9 Cb 0.41 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1ppa h ILE 9 CO 0.01 0.21 0.46 0.25 0.00 0.00 0.00 178.15 179.08 1ppa h LEU 10 N 0.92 0.73 -0.55 1.44 5.85 -0.49 -0.06 115.31 123.16 1ppa h LEU 10 Ca 0.24 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1ppa h LEU 10 Cb -0.00 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1ppa h LEU 10 CO -0.04 0.49 0.07 1.56 -0.34 0.00 0.00 178.44 180.18 1ppa h GLN 11 N 0.87 0.92 0.18 1.25 4.20 -0.32 -1.50 115.11 120.71 1ppa h GLN 11 Ca 0.31 -0.26 -0.35 0.00 0.06 0.00 0.00 58.65 58.42 1ppa h GLN 11 Cb 0.09 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ppa h GLN 11 CO -0.14 0.90 -1.74 0.93 -0.67 0.00 0.00 178.83 178.11 1ppa h GLU 12 N 0.81 0.39 0.00 1.46 4.39 -1.00 -3.41 114.58 117.22 1ppa h GLU 12 Ca 0.16 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1ppa h GLU 12 Cb 0.44 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1ppa h GLU 12 CO 0.01 1.30 -1.35 0.25 -1.16 0.00 0.00 179.01 178.06 1ppa n THR 13 N -3.58 0.00 -0.97 1.13 -2.24 -0.04 -4.78 114.28 103.79 1ppa n THR 13 Ca -0.24 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1ppa n THR 13 Cb 1.07 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1ppa n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppa n GLY 14 N 1.57 0.71 3.92 3.38 0.00 -0.56 -5.00 105.19 109.22 1ppa n GLY 14 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1ppa n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppa s LYS 16 N -0.13 3.27 -0.29 1.61 3.01 -1.26 -4.97 119.74 120.98 1ppa s LYS 16 Ca 0.00 -0.86 -0.29 0.00 -1.01 0.00 0.00 55.97 53.81 1ppa s LYS 16 Cb 0.00 -2.78 0.01 0.00 -1.01 0.00 0.00 37.83 34.05 1ppa s LYS 16 CO 0.00 0.41 1.09 1.21 0.51 0.00 0.00 175.35 178.57 1ppa s ASN 17 N -3.94 6.96 0.17 2.83 3.84 -1.26 -3.64 114.94 119.89 1ppa s ASN 17 Ca 0.34 1.19 -0.11 0.00 0.21 0.00 0.00 52.86 54.49 1ppa s ASN 17 Cb -0.09 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.11 1ppa s ASN 17 CO 0.28 -0.83 1.61 0.00 -2.79 0.00 0.00 177.10 175.37 1ppa h ALA 18 N 7.99 0.74 0.09 1.71 0.00 -1.94 -1.01 119.26 126.84 1ppa h ALA 18 Ca -0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ppa h ALA 18 Cb 1.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ppa h ALA 18 CO 1.02 0.59 -0.05 0.82 0.00 0.00 0.00 179.25 181.63 1ppa h ILE 19 N 0.87 0.96 0.22 0.00 2.04 -1.93 -1.49 117.51 118.17 1ppa h ILE 19 Ca 0.15 -0.19 -0.31 0.00 1.00 0.00 0.00 64.86 65.51 1ppa h ILE 19 Cb 0.58 1.09 0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1ppa h ILE 19 CO 0.03 0.05 -1.43 0.71 0.00 0.00 0.00 178.15 177.51 1ppa h THR 20 N -0.21 1.24 0.00 -0.27 1.35 -1.95 -2.09 112.91 110.98 1ppa h THR 20 Ca -0.01 -2.62 -0.19 0.00 -0.55 0.00 0.00 66.41 63.04 1ppa h THR 20 Cb 0.17 3.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 1ppa h THR 20 CO 0.02 0.80 -0.89 0.28 -0.25 0.00 0.00 175.52 175.48 1ppa h SER 21 N 0.03 0.04 0.00 5.36 0.02 -1.29 -3.40 113.55 114.30 1ppa h SER 21 Ca -0.26 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1ppa h SER 21 Cb 2.06 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1ppa h SER 21 CO 0.23 0.91 0.00 -1.22 -1.14 0.00 0.00 176.83 175.61 1ppa n TYR 22 N -3.51 0.00 1.82 3.45 4.01 -0.64 -4.60 117.16 117.69 1ppa n TYR 22 Ca -0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.88 1ppa n TYR 22 Cb 0.84 0.00 0.81 0.00 -0.31 0.00 0.00 39.34 40.68 1ppa n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ppa n GLY 23 N 0.54 -0.68 0.33 2.72 0.00 -0.73 -3.07 105.19 104.29 1ppa n GLY 23 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ppa n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ppa n SER 24 N -0.63 0.12 -4.75 1.61 7.64 -1.26 -1.87 113.62 114.48 1ppa n SER 24 Ca 0.22 -1.75 -0.40 0.00 1.01 0.00 0.00 58.87 57.95 1ppa n SER 24 Cb 0.19 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1ppa n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ppa s TYR 25 N -0.12 3.61 0.00 1.43 6.14 -1.20 -2.51 117.35 124.71 1ppa s TYR 25 Ca 0.01 1.68 0.00 0.00 0.64 0.00 0.00 57.07 59.40 1ppa s TYR 25 Cb 0.01 -3.26 0.00 0.00 0.42 0.00 0.00 41.96 39.13 1ppa s TYR 25 CO 0.00 -0.50 0.00 0.41 0.64 0.00 0.00 175.55 176.10 1ppa n GLY 26 N 1.48 0.93 0.22 8.97 0.00 0.90 -1.88 105.19 115.81 1ppa n GLY 26 Ca -0.00 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.45 1ppa n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppa n ASN 28 N -0.81 1.79 0.03 0.00 3.02 -1.25 -2.34 115.26 115.70 1ppa n ASN 28 Ca 0.08 -0.05 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 1ppa n ASN 28 Cb 0.38 0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 39.87 1ppa n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ppa n GLY 30 N 1.76 0.28 3.69 0.00 0.00 -0.79 -4.58 105.19 105.55 1ppa n GLY 30 Ca -0.23 0.68 -0.53 0.00 0.00 0.00 0.00 46.02 45.93 1ppa n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ppa n TRP 31 N 2.19 2.13 0.00 1.61 8.01 -0.78 -1.56 117.44 129.05 1ppa n TRP 31 Ca 0.18 0.32 0.00 0.00 -1.31 0.00 0.00 57.50 56.69 1ppa n TRP 31 Cb 0.19 -2.54 0.00 0.00 -2.01 0.00 0.00 31.31 26.95 1ppa n TRP 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ppa n GLY 32 N 4.11 2.93 3.70 6.99 0.00 -1.26 -4.96 105.19 116.71 1ppa n GLY 32 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ppa n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ppa n HIS 33 N -1.34 2.22 -3.93 1.61 8.25 -0.60 -5.08 115.22 116.36 1ppa n HIS 33 Ca 0.00 0.52 -0.10 0.00 -0.26 0.00 0.00 57.72 57.88 1ppa n HIS 33 Cb 0.00 -2.40 -0.10 0.00 1.12 0.00 0.00 29.99 28.61 1ppa n HIS 33 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ppa s ARG 34 N -2.06 0.46 0.00 -0.41 6.06 -0.99 -4.57 118.95 117.44 1ppa s ARG 34 Ca 0.58 -0.59 0.00 0.00 -2.50 0.00 0.00 55.73 53.22 1ppa s ARG 34 Cb -0.53 0.18 0.00 0.00 0.06 0.00 0.00 34.95 34.66 1ppa s ARG 34 CO 0.60 -0.10 0.00 0.41 -2.50 0.00 0.00 175.30 173.71 1ppa n GLY 35 N 1.27 0.07 3.78 8.12 0.00 -1.08 -4.83 105.19 112.52 1ppa n GLY 35 Ca -0.22 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1ppa n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ppa s GLN 36 N -1.56 4.55 0.46 1.61 0.74 -0.84 -4.27 119.66 120.36 1ppa s GLN 36 Ca 0.00 1.26 -0.22 0.00 0.05 0.00 0.00 55.36 56.44 1ppa s GLN 36 Cb 0.00 -2.87 -0.08 0.00 1.10 0.00 0.00 33.01 31.17 1ppa s GLN 36 CO 0.00 0.33 1.12 -2.14 -0.55 0.00 0.00 175.29 174.05 1ppa s PRO 37 N -1.94 3.78 -0.02 1.67 0.02 -1.26 -4.64 135.00 132.62 1ppa s PRO 37 Ca 0.48 1.65 0.21 0.00 0.02 0.00 0.00 61.00 63.36 1ppa s PRO 37 Cb -0.19 -2.34 -0.28 0.00 0.02 0.00 0.00 34.50 31.72 1ppa s PRO 37 CO 0.24 -0.50 0.52 1.63 -0.33 0.00 0.00 177.00 178.56 1ppa n LYS 38 N -0.58 0.65 -2.54 5.54 4.76 -1.26 -4.93 118.16 119.80 1ppa n LYS 38 Ca 0.08 -0.12 -0.03 0.00 -2.87 0.00 0.00 58.31 55.37 1ppa n LYS 38 Cb 0.49 -1.57 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 1ppa n LYS 38 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ppa n ASP 39 N -2.40 -0.98 0.05 4.39 5.75 -1.26 -4.98 116.55 117.12 1ppa n ASP 39 Ca -0.07 -1.59 -0.07 0.00 -0.01 0.00 0.00 54.79 53.05 1ppa n ASP 39 Cb 0.65 1.62 0.10 0.00 -1.03 0.00 0.00 41.12 42.46 1ppa n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ppa h ALA 40 N 2.00 0.81 -0.34 2.12 0.00 -1.94 0.32 119.26 122.23 1ppa h ALA 40 Ca -0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1ppa h ALA 40 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ppa h ALA 40 CO 0.19 0.69 0.19 1.15 0.00 0.00 0.00 179.25 181.48 1ppa h THR 41 N 0.30 1.14 0.00 0.00 2.02 -1.91 -1.29 112.91 113.16 1ppa h THR 41 Ca 0.00 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1ppa h THR 41 Cb 1.06 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1ppa h THR 41 CO 0.09 0.14 -0.64 -0.78 0.37 0.00 0.00 175.52 174.71 1ppa h ASP 42 N 0.43 0.00 -0.67 4.18 3.58 -1.81 -1.99 116.42 120.14 1ppa h ASP 42 Ca 0.12 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1ppa h ASP 42 Cb 0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1ppa h ASP 42 CO -0.02 0.64 0.15 -0.09 -2.88 0.00 0.00 179.24 177.03 1ppa h ARG 43 N 0.00 1.10 -0.57 0.28 2.43 -0.69 -1.94 114.38 114.99 1ppa h ARG 43 Ca -0.01 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1ppa h ARG 43 Cb 1.17 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1ppa h ARG 43 CO 0.08 0.98 0.37 0.00 -1.51 0.00 0.00 179.97 179.89 1ppa h PHE 46 N 0.66 0.50 -0.34 0.00 3.57 -0.57 -2.31 116.94 118.45 1ppa h PHE 46 Ca 0.31 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1ppa h PHE 46 Cb 0.36 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1ppa h PHE 46 CO -0.00 1.04 -0.14 0.28 -2.23 0.00 0.00 178.31 177.26 1ppa h VAL 47 N 0.22 1.25 0.00 1.41 2.07 -1.17 -2.60 116.25 117.42 1ppa h VAL 47 Ca -0.05 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1ppa h VAL 47 Cb 1.44 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1ppa h VAL 47 CO 0.14 0.37 -0.00 -0.74 0.02 0.00 0.00 177.57 177.35 1ppa h HIS 48 N 0.54 -0.01 -0.65 1.57 -0.00 -1.12 -1.93 115.15 113.55 1ppa h HIS 48 Ca 0.09 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.59 1ppa h HIS 48 Cb 0.55 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.84 1ppa h HIS 48 CO 0.02 0.52 -0.18 0.87 -0.00 0.00 0.00 177.93 179.16 1ppa h LYS 49 N -0.53 -0.02 0.00 5.26 1.57 -1.35 -1.05 116.57 120.45 1ppa h LYS 49 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ppa h LYS 49 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1ppa h LYS 49 CO 0.00 -0.01 -0.13 0.00 -0.57 0.00 0.00 179.45 178.73 1ppa h TYR 52 N -0.39 1.17 0.00 0.00 0.05 -0.98 -2.72 116.97 114.10 1ppa h TYR 52 Ca -0.15 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.66 1ppa h TYR 52 Cb 1.63 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1ppa h TYR 52 CO 0.20 0.65 0.15 0.87 -1.05 0.00 0.00 178.16 178.97 1ppa h LYS 53 N 1.18 0.00 0.00 4.88 1.57 -1.14 -0.93 116.57 122.13 1ppa h LYS 53 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1ppa h LYS 53 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ppa h LYS 53 CO -0.13 0.00 -0.56 0.87 -0.57 0.00 0.00 179.45 179.05 1ppa h LYS 54 N 0.00 0.00 -6.25 3.15 1.57 -1.58 -3.44 116.57 110.02 1ppa h LYS 54 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1ppa h LYS 54 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1ppa h LYS 54 CO 0.00 0.00 1.15 -0.51 -0.57 0.00 0.00 179.45 179.52 1ppa s LEU 55 N -5.48 3.21 0.06 2.94 1.02 -0.36 -4.82 118.68 115.26 1ppa s LEU 55 Ca 0.03 -0.37 0.22 0.00 0.02 0.00 0.00 54.13 54.03 1ppa s LEU 55 Cb 0.09 -2.55 -0.18 0.00 0.02 0.00 0.00 46.19 43.56 1ppa s LEU 55 CO 0.73 -1.95 0.71 0.35 0.02 0.00 0.00 176.35 176.22 1ppa n THR 56 N 6.62 0.39 -0.93 5.49 -2.24 -1.26 -4.49 114.28 117.85 1ppa n THR 56 Ca 0.10 -0.55 0.08 0.00 -2.27 0.00 0.00 64.05 61.40 1ppa n THR 56 Cb 0.50 -0.20 0.36 0.00 -2.10 0.00 0.00 70.33 68.88 1ppa n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ppa n ASP 59 N -2.49 5.15 -3.61 3.42 8.00 -1.26 -4.98 116.55 120.78 1ppa n ASP 59 Ca -0.04 -2.96 -0.08 0.00 0.71 0.00 0.00 54.79 52.42 1ppa n ASP 59 Cb 0.60 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1ppa n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ppa s ASN 67 N -2.74 4.17 0.44 0.00 3.84 -1.26 -4.95 114.94 114.43 1ppa s ASN 67 Ca 0.07 -0.41 0.30 0.00 0.21 0.00 0.00 52.86 53.03 1ppa s ASN 67 Cb -0.02 -1.71 1.27 0.00 -0.55 0.00 0.00 41.25 40.24 1ppa s ASN 67 CO -0.04 -0.01 1.89 1.12 -2.79 0.00 0.00 177.10 177.27 1ppa h HIS 68 N 8.03 0.00 0.14 0.43 2.07 -1.93 -1.11 115.15 122.78 1ppa h HIS 68 Ca -0.41 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 56.82 1ppa h HIS 68 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1ppa h HIS 68 CO 0.57 0.00 -1.44 0.87 -3.07 0.00 0.00 177.93 174.86 1ppa h LYS 69 N 0.00 0.30 0.00 5.12 1.79 -1.93 -3.29 116.57 118.56 1ppa h LYS 69 Ca 0.00 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1ppa h LYS 69 Cb 0.41 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1ppa h LYS 69 CO 0.00 1.25 0.00 0.25 -1.08 0.00 0.00 179.45 179.87 1ppa n THR 70 N -3.85 0.00 -3.07 -0.16 -2.24 -1.06 -2.12 114.28 101.78 1ppa n THR 70 Ca -0.23 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.68 1ppa n THR 70 Cb 0.95 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 70.13 1ppa n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ppa s ASP 71 N -0.93 7.02 0.25 3.42 1.01 -0.44 -4.76 116.67 122.23 1ppa s ASP 71 Ca 0.00 1.23 -0.11 0.00 0.71 0.00 0.00 52.55 54.38 1ppa s ASP 71 Cb 0.00 -2.41 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 1ppa s ASP 71 CO 0.00 -0.04 0.58 -0.13 0.21 0.00 0.00 175.17 175.79 1ppa s ARG 72 N 0.42 3.84 0.17 8.23 0.52 -1.26 0.01 118.95 130.87 1ppa s ARG 72 Ca 0.36 0.34 -0.00 0.00 -0.52 0.00 0.00 55.73 55.91 1ppa s ARG 72 Cb -0.18 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1ppa s ARG 72 CO 0.19 0.29 0.06 1.52 0.02 0.00 0.00 175.30 177.37 1ppa s TYR 73 N -1.85 1.07 -0.15 -0.53 -0.85 -1.26 -4.82 117.35 108.96 1ppa s TYR 73 Ca 0.49 -1.20 -0.08 0.00 -0.52 0.00 0.00 57.07 55.76 1ppa s TYR 73 Cb -0.11 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 1ppa s TYR 73 CO 0.21 -0.44 0.13 -1.12 -1.52 0.00 0.00 175.55 172.81 1ppa s SER 74 N -3.13 6.29 0.04 -0.18 0.01 -1.26 -4.95 113.70 110.52 1ppa s SER 74 Ca 0.28 0.37 -0.19 0.00 1.31 0.00 0.00 55.95 57.72 1ppa s SER 74 Cb 0.07 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.27 1ppa s SER 74 CO 0.05 0.32 0.43 -0.72 0.41 0.00 0.00 173.24 173.73 1ppa s TYR 75 N -0.49 -0.29 0.17 2.43 1.13 -1.26 -2.03 117.35 117.00 1ppa s TYR 75 Ca 0.12 0.29 0.10 0.00 -1.41 0.00 0.00 57.07 56.17 1ppa s TYR 75 Cb -0.12 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 1ppa s TYR 75 CO 0.02 -0.57 -0.21 -1.12 -2.51 0.00 0.00 175.55 171.16 1ppa s SER 76 N -1.91 2.95 -0.52 -0.18 0.01 0.14 -4.86 113.70 109.33 1ppa s SER 76 Ca -0.06 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 1ppa s SER 76 Cb -0.01 -0.19 0.14 0.00 0.21 0.00 0.00 66.02 66.16 1ppa s SER 76 CO -0.01 0.03 0.34 0.86 0.41 0.00 0.00 173.24 174.87 1ppa s TRP 77 N -1.82 3.50 -0.10 2.43 -0.00 -1.26 0.17 118.94 121.86 1ppa s TRP 77 Ca 0.17 -2.42 0.01 0.00 -0.00 0.00 0.00 56.10 53.86 1ppa s TRP 77 Cb -0.07 -3.29 0.02 0.00 -0.00 0.00 0.00 33.47 30.13 1ppa s TRP 77 CO 0.08 -0.93 -0.13 0.21 -0.00 0.00 0.00 176.95 176.18 1ppa s LYS 78 N 0.68 1.97 -1.26 5.86 2.47 0.87 -4.82 119.74 125.51 1ppa s LYS 78 Ca 0.12 -0.47 -0.03 0.00 -1.56 0.00 0.00 55.97 54.03 1ppa s LYS 78 Cb -0.22 -1.74 0.01 0.00 -1.46 0.00 0.00 37.83 34.42 1ppa s LYS 78 CO -0.03 -0.10 1.04 0.09 0.16 0.00 0.00 175.35 176.51 1ppa n ASN 79 N 4.31 -3.39 -2.63 1.43 3.02 -1.26 -1.71 115.26 115.04 1ppa n ASN 79 Ca -0.18 -0.61 -0.18 0.00 -0.03 0.00 0.00 54.58 53.57 1ppa n ASN 79 Cb 0.51 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 1ppa n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ppa n LYS 80 N -4.42 -2.64 -4.10 3.52 5.02 -1.26 -5.00 118.16 109.27 1ppa n LYS 80 Ca -0.19 0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 56.78 1ppa n LYS 80 Cb 0.63 -5.47 -0.11 0.00 -0.02 0.00 0.00 35.03 30.07 1ppa n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ppa s ALA 81 N -2.90 0.67 -0.26 7.82 0.00 -0.69 -5.11 121.76 121.29 1ppa s ALA 81 Ca 0.10 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1ppa s ALA 81 Cb -0.05 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1ppa s ALA 81 CO 0.12 -0.18 0.45 0.42 0.00 0.00 0.00 175.76 176.57 1ppa s ILE 82 N -2.70 5.12 -0.16 0.00 1.01 -1.26 -0.09 121.20 123.13 1ppa s ILE 82 Ca 0.01 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 61.39 1ppa s ILE 82 Cb -0.01 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1ppa s ILE 82 CO -0.04 0.13 -0.13 -0.63 0.00 0.00 0.00 174.94 174.28 1ppa s ILE 83 N 2.14 2.90 -0.63 2.92 1.01 0.46 -4.94 121.20 125.06 1ppa s ILE 83 Ca 0.18 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 1ppa s ILE 83 Cb -0.16 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.12 1ppa s ILE 83 CO 0.09 0.50 1.02 0.00 0.00 0.00 0.00 174.94 176.56 1ppa n GLU 86 N 7.94 1.65 -2.54 0.00 1.02 -1.05 -4.92 120.64 122.74 1ppa n GLU 86 Ca -0.00 -0.99 -0.36 0.00 -0.02 0.00 0.00 57.16 55.78 1ppa n GLU 86 Cb 0.47 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 1ppa n GLU 86 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ppa s GLU 87 N -1.74 4.08 -0.16 3.49 2.56 -0.86 -4.95 118.70 121.11 1ppa s GLU 87 Ca 0.28 1.49 0.11 0.00 0.00 0.00 0.00 54.97 56.84 1ppa s GLU 87 Cb 0.15 -2.44 -0.17 0.00 2.00 0.00 0.00 34.13 33.66 1ppa s GLU 87 CO 0.21 -0.21 0.00 0.36 -0.56 0.00 0.00 175.26 175.06 1ppa n LYS 88 N -0.28 1.30 -1.66 4.30 2.85 -1.26 -4.54 118.16 118.86 1ppa n LYS 88 Ca 0.06 0.02 -0.48 0.00 -1.05 0.00 0.00 58.31 56.85 1ppa n LYS 88 Cb 0.50 -1.39 -0.05 0.00 -0.65 0.00 0.00 35.03 33.44 1ppa n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1ppa n ASN 89 N -2.67 2.93 0.05 -5.58 2.85 -1.26 -4.82 115.26 106.75 1ppa n ASN 89 Ca -0.27 1.05 -0.01 0.00 -0.11 0.00 0.00 54.58 55.25 1ppa n ASN 89 Cb 0.97 -1.35 0.27 0.00 1.24 0.00 0.00 39.78 40.91 1ppa n ASN 89 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ppa h PRO 90 N 6.80 0.39 -0.14 1.20 0.13 -2.00 -1.75 132.00 136.65 1ppa h PRO 90 Ca -0.46 -0.12 -0.15 0.00 -0.87 0.00 0.00 66.00 64.39 1ppa h PRO 90 Cb 1.28 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ppa h PRO 90 CO 0.90 0.57 -0.57 0.00 -0.23 0.00 0.00 178.00 178.66 1ppa h LEU 92 N 0.32 1.00 -0.63 0.00 3.38 -1.84 -1.80 115.31 115.74 1ppa h LEU 92 Ca 0.00 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1ppa h LEU 92 Cb 1.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1ppa h LEU 92 CO 0.10 1.19 0.41 0.50 0.09 0.00 0.00 178.44 180.72 1ppa h LYS 93 N 0.82 0.79 -0.42 1.13 1.63 -1.15 0.60 116.57 119.96 1ppa h LYS 93 Ca 0.10 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 1ppa h LYS 93 Cb 0.82 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1ppa h LYS 93 CO 0.07 0.52 0.02 0.93 -3.45 0.00 0.00 179.45 177.54 1ppa h GLU 94 N 0.81 0.66 -0.50 1.90 4.39 -1.34 0.77 114.58 121.27 1ppa h GLU 94 Ca 0.24 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ppa h GLU 94 Cb -0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1ppa h GLU 94 CO -0.07 0.67 0.33 1.98 -1.16 0.00 0.00 179.01 180.76 1ppa h MET 95 N 0.63 0.67 -0.60 2.33 4.05 -1.05 -1.65 114.93 119.30 1ppa h MET 95 Ca 0.13 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1ppa h MET 95 Cb 0.37 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.99 1ppa h MET 95 CO 0.01 0.44 0.28 0.00 0.23 0.00 0.00 176.91 177.87 1ppa h GLU 97 N 0.86 0.49 -0.59 0.00 4.39 -0.40 -0.93 114.58 118.40 1ppa h GLU 97 Ca 0.21 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1ppa h GLU 97 Cb 0.11 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1ppa h GLU 97 CO -0.03 0.74 -0.05 0.00 -1.16 0.00 0.00 179.01 178.52 1ppa h ASP 99 N 0.96 0.25 -0.95 0.00 3.32 -1.06 -2.75 116.42 116.18 1ppa h ASP 99 Ca 0.16 -0.76 0.15 0.00 0.02 0.00 0.00 57.03 56.60 1ppa h ASP 99 Cb 0.61 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.99 1ppa h ASP 99 CO 0.04 0.98 0.56 0.50 -1.72 0.00 0.00 179.24 179.60 1ppa h LYS 100 N -0.46 0.77 -0.18 3.56 3.64 -1.19 -1.61 116.57 121.11 1ppa h LYS 100 Ca -0.03 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 1ppa h LYS 100 Cb 1.01 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1ppa h LYS 100 CO 0.05 0.51 -0.60 0.00 -2.27 0.00 0.00 179.45 177.14 1ppa h ALA 101 N 1.58 0.62 -0.06 5.00 0.00 -1.06 -1.56 119.26 123.78 1ppa h ALA 101 Ca 0.52 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1ppa h ALA 101 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ppa h ALA 101 CO -0.34 0.70 -0.59 -0.24 0.00 0.00 0.00 179.25 178.78 1ppa h VAL 102 N 0.44 1.39 -0.07 0.00 3.04 -1.19 -0.26 116.25 119.60 1ppa h VAL 102 Ca -0.00 -1.96 -0.15 0.00 -1.01 0.00 0.00 66.70 63.58 1ppa h VAL 102 Cb 1.17 1.99 0.01 0.00 -2.01 0.00 0.00 31.29 32.45 1ppa h VAL 102 CO 0.11 0.58 -0.55 0.00 -1.01 0.00 0.00 177.57 176.70 1ppa h ALA 103 N 1.23 0.16 -0.51 3.17 0.00 -0.93 0.25 119.26 122.62 1ppa h ALA 103 Ca -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1ppa h ALA 103 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1ppa h ALA 103 CO 0.09 0.38 0.30 0.82 0.00 0.00 0.00 179.25 180.85 1ppa h ILE 104 N 0.07 1.05 -0.46 0.00 2.04 -1.20 -2.50 117.51 116.50 1ppa h ILE 104 Ca -0.05 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1ppa h ILE 104 Cb 1.21 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1ppa h ILE 104 CO 0.11 0.11 0.07 0.00 0.00 0.00 0.00 178.15 178.44 1ppa h LEU 106 N 0.63 0.71 -0.44 0.00 3.38 -0.94 -2.31 115.31 116.33 1ppa h LEU 106 Ca 0.14 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ppa h LEU 106 Cb 0.39 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ppa h LEU 106 CO 0.01 0.43 0.12 -0.09 0.09 0.00 0.00 178.44 178.99 1ppa h ARG 107 N 0.83 0.70 0.00 1.13 2.43 -0.95 -2.34 114.38 116.18 1ppa h ARG 107 Ca 0.38 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1ppa h ARG 107 Cb 0.29 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ppa h ARG 107 CO -0.22 0.70 -0.14 0.93 -1.51 0.00 0.00 179.97 179.73 1ppa h GLU 108 N 0.58 0.00 -0.23 0.20 4.39 -0.61 -2.98 114.58 115.93 1ppa h GLU 108 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ppa h GLU 108 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ppa h GLU 108 CO 0.00 0.14 0.00 0.09 -1.16 0.00 0.00 179.01 178.08 1ppa n ASN 109 N -3.28 3.16 0.15 1.42 3.02 -1.07 -4.51 115.26 114.15 1ppa n ASN 109 Ca 0.00 -2.54 0.11 0.00 -0.03 0.00 0.00 54.58 52.13 1ppa n ASN 109 Cb 0.39 -0.36 0.56 0.00 -0.61 0.00 0.00 39.78 39.76 1ppa n ASN 109 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ppa n LEU 110 N -0.24 0.61 -0.02 3.41 4.77 -0.89 -2.28 117.00 122.37 1ppa n LEU 110 Ca 0.15 0.73 0.14 0.00 -0.03 0.00 0.00 56.01 57.00 1ppa n LEU 110 Cb 0.62 -0.74 0.58 0.00 -2.33 0.00 0.00 43.42 41.56 1ppa n LEU 110 CO 0.09 -0.81 0.87 -0.90 -1.33 0.00 0.00 177.39 175.31 1ppa n ASP 111 N -2.26 0.16 -0.01 -1.43 5.75 -1.26 -2.26 116.55 115.24 1ppa n ASP 111 Ca -0.00 0.08 0.01 0.00 -0.01 0.00 0.00 54.79 54.87 1ppa n ASP 111 Cb 0.11 -0.26 0.01 0.00 -1.03 0.00 0.00 41.12 39.95 1ppa n ASP 111 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ppa n THR 112 N -1.37 1.05 -0.72 2.12 -2.24 -0.96 -5.05 114.28 107.10 1ppa n THR 112 Ca 0.09 -1.08 -0.30 0.00 -2.27 0.00 0.00 64.05 60.49 1ppa n THR 112 Cb 0.31 0.44 0.19 0.00 -2.10 0.00 0.00 70.33 69.17 1ppa n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ppa s TYR 113 N -1.15 1.65 -0.19 4.78 6.14 -0.96 -4.91 117.35 122.71 1ppa s TYR 113 Ca 0.03 1.53 -0.05 0.00 0.64 0.00 0.00 57.07 59.22 1ppa s TYR 113 Cb 0.03 -3.23 0.09 0.00 0.42 0.00 0.00 41.96 39.27 1ppa s TYR 113 CO 0.00 -3.07 0.33 1.21 0.64 0.00 0.00 175.55 174.66 1ppa s ASN 114 N -2.73 0.26 0.00 4.32 3.84 -1.26 -5.01 114.94 114.36 1ppa s ASN 114 Ca 0.67 0.53 0.15 0.00 0.21 0.00 0.00 52.86 54.42 1ppa s ASN 114 Cb -0.23 0.97 0.80 0.00 -0.55 0.00 0.00 41.25 42.24 1ppa s ASN 114 CO 0.60 -0.26 1.40 2.29 -2.79 0.00 0.00 177.10 178.34 1ppa n LYS 115 N 5.36 0.28 0.00 0.43 0.00 -1.26 -1.27 118.16 121.70 1ppa n LYS 115 Ca -0.06 0.11 0.13 0.00 -0.00 0.00 0.00 58.31 58.49 1ppa n LYS 115 Cb 0.50 -1.50 0.46 0.00 -0.00 0.00 0.00 35.03 34.49 1ppa n LYS 115 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1ppa n LYS 116 N -1.22 0.90 0.00 -1.58 2.85 -1.26 -1.64 118.16 116.22 1ppa n LYS 116 Ca 0.08 -0.48 0.10 0.00 -1.05 0.00 0.00 58.31 56.96 1ppa n LYS 116 Cb 0.10 -1.49 0.08 0.00 -0.65 0.00 0.00 35.03 33.07 1ppa n LYS 116 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ppa n TYR 117 N -0.63 0.00 0.29 5.58 4.01 -0.40 -4.42 117.16 121.60 1ppa n TYR 117 Ca 0.14 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 58.03 1ppa n TYR 117 Cb 0.33 0.00 0.91 0.00 -0.31 0.00 0.00 39.34 40.27 1ppa n TYR 117 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ppa h LYS 118 N 3.85 0.00 -2.38 -0.72 3.64 -1.35 0.26 116.57 119.86 1ppa h LYS 118 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1ppa h LYS 118 Cb 0.84 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.27 1ppa h LYS 118 CO 0.00 0.02 -0.96 0.00 -2.27 0.00 0.00 179.45 176.24 1ppa n ALA 119 N -2.29 2.88 0.03 5.00 0.00 -1.26 -4.11 120.51 120.75 1ppa n ALA 119 Ca -0.03 -3.21 0.02 0.00 0.00 0.00 0.00 53.44 50.22 1ppa n ALA 119 Cb 0.11 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 18.82 1ppa n ALA 119 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ppa n TYR 120 N 2.69 0.08 -0.23 0.00 9.36 -1.04 -4.72 117.16 123.30 1ppa n TYR 120 Ca 0.29 -0.29 0.18 0.00 3.32 0.00 0.00 57.90 61.40 1ppa n TYR 120 Cb 0.47 -0.03 0.50 0.00 -0.63 0.00 0.00 39.34 39.66 1ppa n TYR 120 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1ppa h PHE 121 N 0.61 0.55 0.00 2.98 3.57 -1.86 -2.67 116.94 120.12 1ppa h PHE 121 Ca 0.00 0.02 -0.34 0.00 3.53 0.00 0.00 57.97 61.18 1ppa h PHE 121 Cb 0.39 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1ppa h PHE 121 CO 0.04 0.16 -2.28 1.63 -2.23 0.00 0.00 178.31 175.63 1ppa n LYS 122 N -4.51 0.94 -0.44 1.11 5.02 -1.26 -4.97 118.16 114.04 1ppa n LYS 122 Ca 0.18 -0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.21 1ppa n LYS 122 Cb 0.64 -1.48 0.24 0.00 -0.02 0.00 0.00 35.03 34.41 1ppa n LYS 122 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ppa n LEU 124 N -2.72 0.00 -4.80 -0.35 4.77 -1.01 -5.05 117.00 107.85 1ppa n LEU 124 Ca -0.31 -0.83 -0.31 0.00 -0.03 0.00 0.00 56.01 54.52 1ppa n LEU 124 Cb 1.10 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1ppa n LEU 124 CO 0.39 -2.41 -0.24 -0.54 -1.33 0.00 0.00 177.39 173.25 1ppa s LYS 125 N -4.89 3.02 -0.18 3.23 1.02 -1.26 -5.05 119.74 115.61 1ppa s LYS 125 Ca 0.58 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.91 1ppa s LYS 125 Cb -0.09 -2.81 0.09 0.00 -0.52 0.00 0.00 37.83 34.50 1ppa s LYS 125 CO 0.47 0.59 0.36 0.00 -0.92 0.00 0.00 175.35 175.86 1ppa n LYS 128 N 5.38 -2.76 -2.53 0.00 5.02 -1.26 -4.77 118.16 117.23 1ppa n LYS 128 Ca -0.07 -0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 55.06 1ppa n LYS 128 Cb 0.50 -1.96 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 1ppa n LYS 128 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ppa s LYS 129 N -4.19 4.23 0.60 1.97 -2.85 -1.26 -1.98 119.74 116.26 1ppa s LYS 129 Ca 0.64 1.55 -0.15 0.00 -1.00 0.00 0.00 55.97 57.01 1ppa s LYS 129 Cb -0.19 -2.63 -0.03 0.00 -2.06 0.00 0.00 37.83 32.92 1ppa s LYS 129 CO 0.63 -0.10 1.05 -1.25 0.10 0.00 0.00 175.35 175.79 1ppa s PRO 130 N -2.36 3.29 0.10 1.78 0.04 -1.26 -3.94 135.00 132.65 1ppa s PRO 130 Ca 0.56 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1ppa s PRO 130 Cb -0.23 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1ppa s PRO 130 CO 0.29 -0.83 0.12 -0.25 0.04 0.00 0.00 177.00 176.37 1ppa n ASP 131 N -2.17 -0.42 -4.68 6.66 9.92 -1.26 -4.89 116.55 119.71 1ppa n ASP 131 Ca 0.08 -0.86 -0.31 0.00 -0.53 0.00 0.00 54.79 53.17 1ppa n ASP 131 Cb 0.53 -0.09 -0.08 0.00 -0.64 0.00 0.00 41.12 40.83 1ppa n ASP 131 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1ppa s THR 132 N -1.24 4.04 -2.00 -3.53 -1.32 -1.26 -5.05 115.64 105.28 1ppa s THR 132 Ca 0.07 -0.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.95 1ppa s THR 132 Cb -0.00 -2.87 0.65 0.00 -1.51 0.00 0.00 72.50 68.77 1ppa s THR 132 CO 0.05 0.24 1.73 0.00 -2.21 0.00 0.00 174.62 174.42