#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s8i h LEU 2 N 0.00 0.00 -0.30 1.04 3.38 -1.33 -2.18 115.31 115.93 1s8i h LEU 2 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s8i h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1s8i h LEU 2 CO 0.00 0.03 0.13 -0.07 0.09 0.00 0.00 178.44 178.63 1s8i h LEU 3 N 0.00 0.39 -0.32 1.67 3.38 -1.94 0.54 115.31 119.04 1s8i h LEU 3 Ca -0.00 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1s8i h LEU 3 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1s8i h LEU 3 CO 0.00 0.42 -0.12 -0.33 0.09 0.00 0.00 178.44 178.50 1s8i h GLU 4 N 0.34 0.65 -0.33 1.13 3.07 -1.79 -2.25 114.58 115.40 1s8i h GLU 4 Ca 0.10 -0.27 0.02 0.00 -0.50 0.00 0.00 59.36 58.71 1s8i h GLU 4 Cb 0.14 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 1s8i h GLU 4 CO -0.01 0.85 0.17 1.25 -1.40 0.00 0.00 179.01 179.87 1s8i h LEU 5 N 0.42 0.26 -0.94 1.33 5.85 -1.36 -0.25 115.31 120.62 1s8i h LEU 5 Ca 0.07 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1s8i h LEU 5 Cb 0.64 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1s8i h LEU 5 CO 0.04 0.19 0.36 1.23 -0.34 0.00 0.00 178.44 179.93 1s8i h GLY 6 N 0.35 1.21 0.82 3.75 0.00 -0.83 -1.02 103.07 107.35 1s8i h GLY 6 Ca 0.13 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1s8i h GLY 6 CO -0.09 0.57 -0.01 1.70 0.00 0.00 0.00 176.54 178.71 1s8i h LYS 7 N 1.12 0.37 -0.68 4.80 3.64 -1.08 -1.86 116.57 122.88 1s8i h LYS 7 Ca 0.27 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1s8i h LYS 7 Cb 0.13 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1s8i h LYS 7 CO -0.03 0.58 0.32 0.52 -2.27 0.00 0.00 179.45 178.58 1s8i h MET 8 N 0.12 0.54 -0.61 1.90 2.86 -0.77 0.51 114.93 119.48 1s8i h MET 8 Ca 0.06 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1s8i h MET 8 Cb 0.42 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1s8i h MET 8 CO 0.01 0.36 0.17 0.82 1.06 0.00 0.00 176.91 179.33 1s8i h ILE 9 N 0.56 1.25 -0.36 -1.22 2.04 -1.07 -0.76 117.51 117.94 1s8i h ILE 9 Ca 0.34 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1s8i h ILE 9 Cb 0.36 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1s8i h ILE 9 CO -0.27 0.33 0.21 0.25 0.00 0.00 0.00 178.15 178.66 1s8i h LEU 10 N 0.88 0.44 -0.58 1.44 5.85 -0.71 0.43 115.31 123.07 1s8i h LEU 10 Ca 0.19 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1s8i h LEU 10 Cb 0.33 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1s8i h LEU 10 CO -0.00 0.39 0.38 1.56 -0.34 0.00 0.00 178.44 180.42 1s8i h GLN 11 N 0.46 0.74 0.08 1.25 4.20 -0.53 -0.80 115.11 120.51 1s8i h GLN 11 Ca 0.13 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.55 1s8i h GLN 11 Cb 0.03 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1s8i h GLN 11 CO -0.02 0.49 -1.23 0.93 -0.67 0.00 0.00 178.83 178.33 1s8i h GLU 12 N 0.77 0.17 0.00 1.46 4.39 -1.09 -3.40 114.58 116.88 1s8i h GLU 12 Ca 0.22 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1s8i h GLU 12 Cb -0.06 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1s8i h GLU 12 CO -0.06 1.14 -1.44 0.25 -1.16 0.00 0.00 179.01 177.74 1s8i n THR 13 N -4.09 0.19 -0.95 1.13 -2.24 0.14 -4.79 114.28 103.66 1s8i n THR 13 Ca -0.25 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1s8i n THR 13 Cb 0.81 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1s8i n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s8i n GLY 14 N 1.29 0.48 3.77 3.38 0.00 -0.30 -5.01 105.19 108.79 1s8i n GLY 14 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1s8i n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s8i s LYS 16 N -0.47 2.78 -0.25 1.61 1.02 -1.26 -4.98 119.74 118.20 1s8i s LYS 16 Ca 0.00 -0.98 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 1s8i s LYS 16 Cb 0.00 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1s8i s LYS 16 CO 0.00 0.46 1.48 1.21 -0.92 0.00 0.00 175.35 177.58 1s8i s ASN 17 N -3.25 6.51 0.21 2.83 3.84 -1.26 -3.62 114.94 120.20 1s8i s ASN 17 Ca 0.31 1.47 -0.10 0.00 0.21 0.00 0.00 52.86 54.74 1s8i s ASN 17 Cb -0.09 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 38.25 1s8i s ASN 17 CO 0.23 -1.17 1.86 0.00 -2.79 0.00 0.00 177.10 175.23 1s8i h ALA 18 N 10.08 0.94 -0.01 1.71 0.00 -1.93 -0.89 119.26 129.16 1s8i h ALA 18 Ca -0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1s8i h ALA 18 Cb 1.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1s8i h ALA 18 CO 1.01 0.29 -0.00 0.82 0.00 0.00 0.00 179.25 181.37 1s8i h ILE 19 N 0.94 1.31 0.01 0.00 2.04 -1.92 -0.38 117.51 119.52 1s8i h ILE 19 Ca 0.28 -0.93 -0.20 0.00 1.00 0.00 0.00 64.86 65.01 1s8i h ILE 19 Cb -0.04 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1s8i h ILE 19 CO -0.09 0.24 -0.92 0.71 0.00 0.00 0.00 178.15 178.10 1s8i h THR 20 N -0.36 1.57 0.04 -0.27 1.35 -1.96 -1.09 112.91 112.19 1s8i h THR 20 Ca 0.00 -2.89 -0.31 0.00 -0.55 0.00 0.00 66.41 62.66 1s8i h THR 20 Cb 0.40 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.39 1s8i h THR 20 CO 0.00 0.83 -1.76 0.28 -0.25 0.00 0.00 175.52 174.63 1s8i h SER 21 N 0.05 0.12 0.00 5.36 0.02 -1.24 -3.42 113.55 114.43 1s8i h SER 21 Ca -0.03 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1s8i h SER 21 Cb 1.59 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1s8i h SER 21 CO 0.13 1.23 0.00 -1.22 -1.14 0.00 0.00 176.83 175.83 1s8i n TYR 22 N -3.18 0.00 0.21 3.45 4.01 -0.21 -4.74 117.16 116.70 1s8i n TYR 22 Ca -0.20 -0.22 0.10 0.00 -0.16 0.00 0.00 57.90 57.42 1s8i n TYR 22 Cb 1.05 -0.02 0.26 0.00 -0.31 0.00 0.00 39.34 40.32 1s8i n TYR 22 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1s8i h GLY 23 N 0.00 0.00 -6.01 2.72 0.00 -0.53 -3.35 103.07 95.90 1s8i h GLY 23 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1s8i h GLY 23 CO 0.00 0.00 -0.63 -0.45 0.00 0.00 0.00 176.54 175.46 1s8i s SER 24 N -6.19 0.07 -0.07 0.19 0.15 -1.24 -4.04 113.70 102.56 1s8i s SER 24 Ca 0.04 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.05 1s8i s SER 24 Cb 0.07 1.01 0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1s8i s SER 24 CO 0.66 -0.18 -0.04 -0.47 1.20 0.00 0.00 173.24 174.41 1s8i s TYR 25 N 1.22 0.92 0.00 3.44 6.14 -0.62 -4.15 117.35 124.30 1s8i s TYR 25 Ca 0.22 -0.32 0.00 0.00 0.64 0.00 0.00 57.07 57.60 1s8i s TYR 25 Cb -0.07 -0.85 0.00 0.00 0.42 0.00 0.00 41.96 41.46 1s8i s TYR 25 CO -0.06 -0.30 0.00 0.41 0.64 0.00 0.00 175.55 176.24 1s8i n GLY 26 N 4.53 0.81 0.47 8.97 0.00 0.68 -1.82 105.19 118.82 1s8i n GLY 26 Ca -0.17 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1s8i n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s8i n ASN 28 N -0.01 1.79 -4.59 0.00 3.02 -1.24 -1.59 115.26 112.64 1s8i n ASN 28 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 1s8i n ASN 28 Cb 0.42 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1s8i n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s8i n GLY 30 N 4.80 3.30 3.68 0.00 0.00 -1.26 -1.59 105.19 114.12 1s8i n GLY 30 Ca 0.09 -1.95 -0.46 0.00 0.00 0.00 0.00 46.02 43.71 1s8i n GLY 30 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1s8i n TRP 31 N -1.09 2.36 -0.29 1.61 -0.00 -1.26 -1.69 117.44 117.08 1s8i n TRP 31 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1s8i n TRP 31 Cb 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 28.73 1s8i n TRP 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1s8i n GLY 32 N 3.64 2.41 3.63 5.87 0.00 -1.26 -4.99 105.19 114.49 1s8i n GLY 32 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1s8i n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s8i s HIS 33 N -3.28 2.77 0.09 1.61 3.76 -0.68 -5.01 115.29 114.54 1s8i s HIS 33 Ca 0.00 0.91 0.05 0.00 -0.15 0.00 0.00 55.06 55.87 1s8i s HIS 33 Cb 0.00 -3.94 -0.03 0.00 1.11 0.00 0.00 32.58 29.72 1s8i s HIS 33 CO 0.00 -1.49 -0.13 1.03 -0.85 0.00 0.00 174.74 173.30 1s8i s ARG 34 N 4.14 0.84 0.00 1.40 3.00 -0.62 -4.36 118.95 123.35 1s8i s ARG 34 Ca 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 55.73 55.22 1s8i s ARG 34 Cb -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 34.95 34.08 1s8i s ARG 34 CO 0.23 0.15 0.00 0.41 0.00 0.00 0.00 175.30 176.08 1s8i n GLY 35 N 0.97 3.19 3.74 -3.53 0.00 -1.10 -4.80 105.19 103.65 1s8i n GLY 35 Ca -0.19 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1s8i n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s8i s GLN 36 N -2.20 4.21 0.35 1.61 0.74 -0.93 -4.65 119.66 118.79 1s8i s GLN 36 Ca 0.00 2.41 -0.28 0.00 0.05 0.00 0.00 55.36 57.54 1s8i s GLN 36 Cb 0.00 -3.09 -0.12 0.00 1.10 0.00 0.00 33.01 30.90 1s8i s GLN 36 CO 0.00 -0.53 1.37 -2.30 -0.55 0.00 0.00 175.29 173.28 1s8i n PRO 37 N 2.61 2.33 0.06 1.67 -0.02 -1.26 -4.63 135.00 135.77 1s8i n PRO 37 Ca 0.09 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.41 1s8i n PRO 37 Cb 0.39 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 1s8i n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s8i h LYS 38 N 2.72 0.00 0.00 -0.52 1.79 -1.91 -3.48 116.57 115.17 1s8i h LYS 38 Ca -0.48 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.00 1s8i h LYS 38 Cb 1.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1s8i h LYS 38 CO 0.63 0.28 0.14 -0.40 -1.08 0.00 0.00 179.45 179.02 1s8i n ASP 39 N -2.92 -0.81 -0.12 0.86 5.75 -1.26 -5.03 116.55 113.02 1s8i n ASP 39 Ca -0.06 -1.52 -0.10 0.00 -0.01 0.00 0.00 54.79 53.10 1s8i n ASP 39 Cb 0.77 1.33 0.04 0.00 -1.03 0.00 0.00 41.12 42.24 1s8i n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s8i h ALA 40 N 2.00 0.77 -0.20 2.12 0.00 -1.94 -0.72 119.26 121.30 1s8i h ALA 40 Ca -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1s8i h ALA 40 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1s8i h ALA 40 CO 0.15 0.66 0.07 1.15 0.00 0.00 0.00 179.25 181.28 1s8i h THR 41 N 0.76 0.96 -0.87 0.00 2.02 -1.91 -0.57 112.91 113.29 1s8i h THR 41 Ca 0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1s8i h THR 41 Cb 0.78 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1s8i h THR 41 CO 0.06 0.03 0.51 -0.78 0.37 0.00 0.00 175.52 175.72 1s8i h ASP 42 N 0.17 1.06 -0.76 4.18 3.58 -1.84 -2.05 116.42 120.76 1s8i h ASP 42 Ca 0.08 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1s8i h ASP 42 Cb 0.05 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 1s8i h ASP 42 CO -0.08 0.82 0.37 -0.09 -2.88 0.00 0.00 179.24 177.38 1s8i h ARG 43 N 1.21 1.10 -0.68 0.28 2.43 -0.57 -0.95 114.38 117.20 1s8i h ARG 43 Ca 0.31 -0.16 0.14 0.00 -0.81 0.00 0.00 59.98 59.47 1s8i h ARG 43 Cb -0.03 -0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.21 1s8i h ARG 43 CO -0.06 0.85 0.09 0.00 -1.51 0.00 0.00 179.97 179.34 1s8i h PHE 46 N 0.34 -0.11 -0.71 0.00 3.57 -0.48 -1.59 116.94 117.97 1s8i h PHE 46 Ca 0.02 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1s8i h PHE 46 Cb 0.91 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1s8i h PHE 46 CO 0.03 -0.01 0.40 0.28 -2.23 0.00 0.00 178.31 176.77 1s8i h VAL 47 N -0.18 0.96 -0.23 1.41 2.07 -1.02 -1.17 116.25 118.10 1s8i h VAL 47 Ca -0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1s8i h VAL 47 Cb 0.14 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1s8i h VAL 47 CO 0.02 0.13 0.11 -0.74 0.02 0.00 0.00 177.57 177.12 1s8i h HIS 48 N 0.72 0.21 -0.65 1.57 -0.00 -1.06 0.08 115.15 116.03 1s8i h HIS 48 Ca 0.32 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.61 1s8i h HIS 48 Cb 0.21 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1s8i h HIS 48 CO -0.07 0.12 0.07 0.87 -0.00 0.00 0.00 177.93 178.92 1s8i h LYS 49 N 0.25 1.09 -0.94 5.26 1.57 -0.92 -1.59 116.57 121.29 1s8i h LYS 49 Ca 0.09 -0.31 0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1s8i h LYS 49 Cb 0.02 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 1s8i h LYS 49 CO -0.06 1.03 0.59 0.00 -0.57 0.00 0.00 179.45 180.44 1s8i h TYR 52 N -0.06 0.00 0.00 0.00 -0.00 -1.19 -3.33 116.97 112.39 1s8i h TYR 52 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.76 1s8i h TYR 52 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.03 1s8i h TYR 52 CO 0.02 0.12 0.00 0.87 -0.00 0.00 0.00 178.16 179.17 1s8i h LYS 53 N 0.00 0.00 0.00 0.10 1.57 -1.26 -2.10 116.57 114.88 1s8i h LYS 53 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1s8i h LYS 53 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1s8i h LYS 53 CO 0.01 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.25 1s8i n LYS 54 N -3.04 0.22 -2.70 3.15 2.85 -1.24 -4.79 118.16 112.61 1s8i n LYS 54 Ca 0.01 0.25 -0.41 0.00 -1.05 0.00 0.00 58.31 57.11 1s8i n LYS 54 Cb 0.34 -1.79 -0.04 0.00 -0.65 0.00 0.00 35.03 32.89 1s8i n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1s8i s LEU 55 N -4.37 4.44 -0.01 -5.58 1.43 -0.79 -4.95 118.68 108.85 1s8i s LEU 55 Ca 0.09 1.77 0.10 0.00 -1.03 0.00 0.00 54.13 55.06 1s8i s LEU 55 Cb 0.12 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.63 1s8i s LEU 55 CO 0.54 -0.16 0.33 0.35 0.23 0.00 0.00 176.35 177.63 1s8i n THR 56 N 3.24 0.00 0.07 5.49 -2.24 -1.26 -4.72 114.28 114.85 1s8i n THR 56 Ca 0.04 -0.25 0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1s8i n THR 56 Cb 0.50 0.71 0.13 0.00 -2.10 0.00 0.00 70.33 69.57 1s8i n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s8i n ASP 59 N -1.47 2.69 -3.81 3.42 9.92 -1.26 -4.99 116.55 121.04 1s8i n ASP 59 Ca 0.00 -1.83 -0.05 0.00 -0.53 0.00 0.00 54.79 52.38 1s8i n ASP 59 Cb 0.19 -0.17 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 1s8i n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s8i s ASN 67 N -2.93 4.22 0.41 0.00 3.84 -1.26 -5.00 114.94 114.22 1s8i s ASN 67 Ca 0.12 -0.47 0.09 0.00 0.21 0.00 0.00 52.86 52.81 1s8i s ASN 67 Cb -0.04 -1.71 0.87 0.00 -0.55 0.00 0.00 41.25 39.82 1s8i s ASN 67 CO 0.05 -0.03 2.00 -0.74 -2.79 0.00 0.00 177.10 175.59 1s8i h HIS 68 N 8.09 0.34 0.12 0.43 -0.00 -1.93 -2.28 115.15 119.91 1s8i h HIS 68 Ca -0.41 -0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 59.73 1s8i h HIS 68 Cb 1.15 -0.11 0.02 0.00 -0.00 0.00 0.00 27.41 28.48 1s8i h HIS 68 CO 0.58 0.31 -0.91 0.87 -0.00 0.00 0.00 177.93 178.78 1s8i h LYS 69 N 0.34 0.41 0.00 5.26 1.57 -1.95 -3.29 116.57 118.91 1s8i h LYS 69 Ca 0.08 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1s8i h LYS 69 Cb 0.15 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1s8i h LYS 69 CO -0.00 1.26 -1.39 0.25 -0.57 0.00 0.00 179.45 179.00 1s8i n THR 70 N -4.05 0.06 -2.70 -0.16 -2.24 -1.21 -1.41 114.28 102.58 1s8i n THR 70 Ca -0.13 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 1s8i n THR 70 Cb 0.85 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1s8i n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s8i s ASP 71 N -3.05 6.82 0.59 3.42 1.01 -0.86 -4.79 116.67 119.79 1s8i s ASP 71 Ca -0.03 0.84 -0.17 0.00 0.71 0.00 0.00 52.55 53.90 1s8i s ASP 71 Cb 0.05 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1s8i s ASP 71 CO 0.34 -0.90 1.07 -0.13 0.21 0.00 0.00 175.17 175.76 1s8i s ARG 72 N 3.65 3.29 0.17 8.23 0.52 -1.26 -0.67 118.95 132.88 1s8i s ARG 72 Ca 0.43 1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 56.91 1s8i s ARG 72 Cb -0.12 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 1s8i s ARG 72 CO 0.18 -0.85 0.17 1.52 0.02 0.00 0.00 175.30 176.34 1s8i s TYR 73 N -2.30 0.82 -0.20 -0.53 -0.85 -1.26 -4.80 117.35 108.24 1s8i s TYR 73 Ca 0.66 -1.14 -0.13 0.00 -0.52 0.00 0.00 57.07 55.93 1s8i s TYR 73 Cb -0.18 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 1s8i s TYR 73 CO 0.34 -0.65 0.29 -1.12 -1.52 0.00 0.00 175.55 172.89 1s8i s SER 74 N -3.07 6.34 0.11 -0.18 0.01 -1.26 -4.94 113.70 110.71 1s8i s SER 74 Ca 0.28 0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.86 1s8i s SER 74 Cb 0.06 -2.17 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 1s8i s SER 74 CO 0.06 0.04 0.18 -0.72 0.41 0.00 0.00 173.24 173.20 1s8i s TYR 75 N 0.89 0.36 0.01 2.43 1.13 -1.26 -1.76 117.35 119.16 1s8i s TYR 75 Ca 0.15 -0.77 0.08 0.00 -1.41 0.00 0.00 57.07 55.11 1s8i s TYR 75 Cb -0.14 -0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.56 1s8i s TYR 75 CO 0.05 -0.58 -0.23 -1.12 -2.51 0.00 0.00 175.55 171.15 1s8i s SER 76 N -2.93 2.78 -0.75 -0.18 0.01 -0.26 -4.90 113.70 107.48 1s8i s SER 76 Ca 0.11 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 56.72 1s8i s SER 76 Cb 0.05 -0.28 0.16 0.00 0.21 0.00 0.00 66.02 66.16 1s8i s SER 76 CO -0.06 0.25 0.80 0.86 0.41 0.00 0.00 173.24 175.50 1s8i s TRP 77 N -0.67 3.35 -0.10 2.43 -0.11 -1.26 -0.80 118.94 121.77 1s8i s TRP 77 Ca 0.09 -1.49 0.03 0.00 1.22 0.00 0.00 56.10 55.95 1s8i s TRP 77 Cb -0.09 -3.98 0.01 0.00 -1.50 0.00 0.00 33.47 27.91 1s8i s TRP 77 CO 0.01 -1.19 -0.19 0.21 -4.62 0.00 0.00 176.95 171.16 1s8i s LYS 78 N 1.60 2.57 -1.54 5.86 2.47 -0.05 -4.65 119.74 125.99 1s8i s LYS 78 Ca 0.18 -0.70 -0.13 0.00 -1.56 0.00 0.00 55.97 53.75 1s8i s LYS 78 Cb -0.15 -2.05 0.09 0.00 -1.46 0.00 0.00 37.83 34.26 1s8i s LYS 78 CO -0.03 0.05 0.94 0.09 0.16 0.00 0.00 175.35 176.56 1s8i n ASN 79 N 3.87 -4.40 -2.66 1.43 3.02 -1.26 -2.20 115.26 113.06 1s8i n ASN 79 Ca -0.20 -0.81 -0.20 0.00 -0.03 0.00 0.00 54.58 53.34 1s8i n ASN 79 Cb 0.52 -3.77 0.02 0.00 -0.61 0.00 0.00 39.78 35.94 1s8i n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s8i n LYS 80 N -4.63 -3.83 -4.02 3.52 4.76 -1.26 -4.99 118.16 107.70 1s8i n LYS 80 Ca 0.02 0.87 -0.10 0.00 -2.87 0.00 0.00 58.31 56.23 1s8i n LYS 80 Cb 0.53 -5.56 -0.08 0.00 -1.84 0.00 0.00 35.03 28.09 1s8i n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s8i s ALA 81 N -3.10 0.21 -0.16 7.82 0.00 -0.93 -5.07 121.76 120.53 1s8i s ALA 81 Ca 0.21 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 1s8i s ALA 81 Cb -0.09 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1s8i s ALA 81 CO 0.26 -0.64 0.39 0.42 0.00 0.00 0.00 175.76 176.19 1s8i s ILE 82 N -4.00 5.23 -0.18 0.00 1.01 -1.26 -0.87 121.20 121.12 1s8i s ILE 82 Ca 0.21 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.60 1s8i s ILE 82 Cb 0.04 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1s8i s ILE 82 CO 0.03 0.32 -0.15 -0.63 0.00 0.00 0.00 174.94 174.50 1s8i s ILE 83 N 0.83 1.83 -0.25 2.92 1.01 0.02 -4.99 121.20 122.57 1s8i s ILE 83 Ca 0.20 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 1s8i s ILE 83 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 1s8i s ILE 83 CO 0.07 0.39 1.31 0.00 0.00 0.00 0.00 174.94 176.71 1s8i n GLU 86 N 7.12 3.06 -4.83 0.00 1.02 -0.72 -4.98 120.64 121.31 1s8i n GLU 86 Ca 0.15 -4.43 -0.33 0.00 -0.02 0.00 0.00 57.16 52.53 1s8i n GLU 86 Cb 0.46 -2.13 -0.15 0.00 -0.02 0.00 0.00 31.44 29.61 1s8i n GLU 86 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1s8i s GLU 87 N -3.44 3.32 0.09 3.49 2.56 -1.20 -4.59 118.70 118.93 1s8i s GLU 87 Ca 0.46 -0.72 0.02 0.00 0.00 0.00 0.00 54.97 54.73 1s8i s GLU 87 Cb 0.37 -2.58 -0.24 0.00 2.00 0.00 0.00 34.13 33.69 1s8i s GLU 87 CO -0.15 0.19 1.18 0.87 -0.56 0.00 0.00 175.26 176.79 1s8i h LYS 88 N 6.76 0.12 -6.25 4.30 1.79 -1.96 -3.41 116.57 117.90 1s8i h LYS 88 Ca -0.25 -0.20 -0.56 0.00 -2.18 0.00 0.00 60.65 57.46 1s8i h LYS 88 Cb 1.22 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 1s8i h LYS 88 CO 0.54 1.07 1.10 1.21 -1.08 0.00 0.00 179.45 182.29 1s8i s ASN 89 N -6.86 6.52 0.25 0.86 3.84 -1.26 -4.90 114.94 113.39 1s8i s ASN 89 Ca -0.02 1.90 -0.03 0.00 0.21 0.00 0.00 52.86 54.93 1s8i s ASN 89 Cb 0.09 -2.53 0.45 0.00 -0.55 0.00 0.00 41.25 38.71 1s8i s ASN 89 CO 0.85 -1.09 1.79 -0.65 -2.79 0.00 0.00 177.10 175.20 1s8i h PRO 90 N 10.14 0.68 -0.46 0.43 0.11 -1.99 0.13 132.00 141.04 1s8i h PRO 90 Ca -0.36 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 1s8i h PRO 90 Cb 1.16 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1s8i h PRO 90 CO 0.98 0.45 -0.09 0.00 -0.21 0.00 0.00 178.00 179.13 1s8i h LEU 92 N 0.70 0.00 -0.49 0.00 3.38 -1.80 -1.28 115.31 115.82 1s8i h LEU 92 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1s8i h LEU 92 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1s8i h LEU 92 CO 0.04 0.39 0.02 0.50 0.09 0.00 0.00 178.44 179.48 1s8i h LYS 93 N 0.00 0.86 -0.63 1.13 3.64 -0.59 -0.23 116.57 120.75 1s8i h LYS 93 Ca -0.00 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1s8i h LYS 93 Cb 0.93 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1s8i h LYS 93 CO 0.05 0.88 0.14 0.93 -2.27 0.00 0.00 179.45 179.18 1s8i h GLU 94 N 0.72 1.01 -0.40 1.90 4.39 -0.99 -0.16 114.58 121.05 1s8i h GLU 94 Ca 0.14 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1s8i h GLU 94 Cb 0.48 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1s8i h GLU 94 CO 0.02 0.90 0.25 0.52 -1.16 0.00 0.00 179.01 179.54 1s8i h MET 95 N 0.96 0.49 -0.61 2.33 2.86 -0.97 -1.11 114.93 118.88 1s8i h MET 95 Ca 0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1s8i h MET 95 Cb 0.36 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1s8i h MET 95 CO 0.00 0.32 0.39 0.00 1.06 0.00 0.00 176.91 178.69 1s8i h GLU 97 N 0.82 0.77 -0.37 0.00 4.39 -0.62 0.12 114.58 119.68 1s8i h GLU 97 Ca 0.22 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1s8i h GLU 97 Cb -0.07 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1s8i h GLU 97 CO -0.05 0.74 0.19 0.00 -1.16 0.00 0.00 179.01 178.74 1s8i h ASP 99 N 0.46 0.63 -0.61 0.00 3.32 -0.72 -1.94 116.42 117.56 1s8i h ASP 99 Ca 0.13 -0.36 0.07 0.00 0.02 0.00 0.00 57.03 56.89 1s8i h ASP 99 Cb 0.08 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1s8i h ASP 99 CO -0.02 0.84 0.29 0.50 -1.72 0.00 0.00 179.24 179.13 1s8i h LYS 100 N 0.41 0.52 -0.57 3.56 3.64 -0.77 -1.50 116.57 121.85 1s8i h LYS 100 Ca 0.08 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1s8i h LYS 100 Cb 0.56 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1s8i h LYS 100 CO 0.03 0.34 0.15 0.00 -2.27 0.00 0.00 179.45 177.70 1s8i h ALA 101 N 1.36 0.75 -0.24 5.00 0.00 -1.07 -1.56 119.26 123.51 1s8i h ALA 101 Ca 0.29 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1s8i h ALA 101 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1s8i h ALA 101 CO -0.23 0.44 -0.43 -0.24 0.00 0.00 0.00 179.25 178.79 1s8i h VAL 102 N 0.81 1.30 -0.37 0.00 3.04 -1.05 -0.38 116.25 119.60 1s8i h VAL 102 Ca 0.18 -1.61 -0.02 0.00 -1.01 0.00 0.00 66.70 64.24 1s8i h VAL 102 Cb 0.32 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.17 1s8i h VAL 102 CO -0.00 0.51 0.15 0.00 -1.01 0.00 0.00 177.57 177.22 1s8i h ALA 103 N 1.05 0.49 -0.35 3.17 0.00 -0.99 0.41 119.26 123.04 1s8i h ALA 103 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1s8i h ALA 103 Cb 0.94 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1s8i h ALA 103 CO 0.08 0.08 0.18 0.82 0.00 0.00 0.00 179.25 180.41 1s8i h ILE 104 N 0.46 1.15 -0.50 0.00 2.04 -1.23 -1.96 117.51 117.48 1s8i h ILE 104 Ca 0.13 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1s8i h ILE 104 Cb 0.18 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1s8i h ILE 104 CO -0.01 0.16 0.33 0.00 0.00 0.00 0.00 178.15 178.63 1s8i h LEU 106 N 0.67 1.00 -0.47 0.00 3.38 -0.84 -2.11 115.31 116.93 1s8i h LEU 106 Ca 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1s8i h LEU 106 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1s8i h LEU 106 CO -0.04 0.92 0.17 -0.09 0.09 0.00 0.00 178.44 179.49 1s8i h ARG 107 N 1.02 0.71 0.00 1.13 1.12 -0.91 -2.46 114.38 114.99 1s8i h ARG 107 Ca 0.23 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1s8i h ARG 107 Cb 0.26 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1s8i h ARG 107 CO -0.01 0.66 0.00 1.49 -3.11 0.00 0.00 179.97 179.00 1s8i h GLU 108 N 0.62 0.00 -0.31 0.20 4.57 -0.76 -2.87 114.58 116.03 1s8i h GLU 108 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1s8i h GLU 108 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1s8i h GLU 108 CO -0.01 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.91 1s8i n ASN 109 N -3.09 4.05 0.25 1.04 3.02 -0.82 -4.57 115.26 115.15 1s8i n ASN 109 Ca -0.00 -2.94 0.10 0.00 -0.03 0.00 0.00 54.58 51.71 1s8i n ASN 109 Cb 0.26 -0.54 0.69 0.00 -0.61 0.00 0.00 39.78 39.57 1s8i n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s8i h LEU 110 N 2.10 0.00 -2.56 3.41 3.38 -1.21 -2.48 115.31 117.94 1s8i h LEU 110 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s8i h LEU 110 Cb 1.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1s8i h LEU 110 CO 0.24 0.00 -0.01 -2.24 0.09 0.00 0.00 178.44 176.52 1s8i h ASP 111 N 0.00 0.00 -0.08 -0.43 2.03 -1.84 -2.43 116.42 113.67 1s8i h ASP 111 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1s8i h ASP 111 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1s8i h ASP 111 CO -0.00 0.01 0.00 0.35 -1.03 0.00 0.00 179.24 178.57 1s8i n THR 112 N -3.27 0.68 -1.64 1.15 -2.24 -0.94 -5.03 114.28 102.99 1s8i n THR 112 Ca -0.02 -0.84 -0.48 0.00 -2.27 0.00 0.00 64.05 60.44 1s8i n THR 112 Cb 0.13 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 1s8i n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s8i n TYR 113 N -0.02 1.93 -3.79 4.78 4.19 -0.92 -4.92 117.16 118.41 1s8i n TYR 113 Ca 0.04 0.44 -0.26 0.00 3.31 0.00 0.00 57.90 61.42 1s8i n TYR 113 Cb 0.24 -2.44 -0.17 0.00 0.49 0.00 0.00 39.34 37.46 1s8i n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1s8i s ASN 114 N 0.65 2.45 0.57 2.98 3.84 -1.26 -5.03 114.94 119.14 1s8i s ASN 114 Ca 0.80 -0.53 0.36 0.00 0.21 0.00 0.00 52.86 53.69 1s8i s ASN 114 Cb -0.79 -0.63 1.94 0.00 -0.55 0.00 0.00 41.25 41.23 1s8i s ASN 114 CO 0.43 -0.24 2.09 0.11 -2.79 0.00 0.00 177.10 176.70 1s8i h LYS 115 N 8.24 0.00 -0.03 0.43 1.57 -2.00 -2.41 116.57 122.37 1s8i h LYS 115 Ca -0.20 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1s8i h LYS 115 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1s8i h LYS 115 CO 0.33 0.00 0.03 1.57 -0.57 0.00 0.00 179.45 180.81 1s8i h LYS 116 N 0.00 0.00 -0.02 3.15 2.10 -1.98 -2.46 116.57 117.36 1s8i h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s8i h LYS 116 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1s8i h LYS 116 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1s8i n TYR 117 N -3.95 0.02 1.09 0.07 4.01 -0.91 -3.34 117.16 114.16 1s8i n TYR 117 Ca -0.02 -0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.85 1s8i n TYR 117 Cb 0.12 0.00 0.61 0.00 -0.31 0.00 0.00 39.34 39.76 1s8i n TYR 117 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1s8i n LYS 118 N -0.46 0.11 -4.03 -0.72 5.02 -0.92 -0.23 118.16 116.93 1s8i n LYS 118 Ca 0.20 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.15 1s8i n LYS 118 Cb 0.20 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.57 1s8i n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s8i s ALA 119 N -2.90 2.60 0.49 7.82 0.00 -1.21 -4.81 121.76 123.76 1s8i s ALA 119 Ca 0.17 -1.61 0.14 0.00 0.00 0.00 0.00 51.96 50.66 1s8i s ALA 119 Cb 0.19 -1.60 1.17 0.00 0.00 0.00 0.00 23.12 22.88 1s8i s ALA 119 CO 0.53 -0.99 2.12 0.10 0.00 0.00 0.00 175.76 177.52 1s8i h TYR 120 N 7.89 0.10 0.00 0.00 -0.00 -1.89 -1.72 116.97 121.35 1s8i h TYR 120 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 1s8i h TYR 120 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.77 1s8i h TYR 120 CO 0.59 0.08 0.00 0.27 -0.00 0.00 0.00 178.16 179.10 1s8i h PHE 121 N 0.11 0.00 0.00 0.10 -5.15 -1.96 -3.27 116.94 106.77 1s8i h PHE 121 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1s8i h PHE 121 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.18 1s8i h PHE 121 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 178.31 177.94 1s8i n LYS 122 N -2.74 0.26 -3.97 6.09 5.02 -0.65 -4.90 118.16 117.27 1s8i n LYS 122 Ca 0.03 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.47 1s8i n LYS 122 Cb 0.38 -1.82 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 1s8i n LYS 122 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1s8i s PHE 124 N -3.13 0.42 0.09 2.13 -0.71 -1.24 -5.09 117.98 110.46 1s8i s PHE 124 Ca 0.10 -0.81 0.03 0.00 -1.04 0.00 0.00 56.93 55.21 1s8i s PHE 124 Cb 0.12 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1s8i s PHE 124 CO 0.57 -0.63 0.10 0.15 -1.34 0.00 0.00 175.22 174.06 1s8i s LYS 125 N -3.95 2.93 -0.20 1.99 1.02 -1.26 -4.96 119.74 115.30 1s8i s LYS 125 Ca 0.15 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.42 1s8i s LYS 125 Cb 0.04 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1s8i s LYS 125 CO -0.03 0.56 -0.09 0.00 -0.92 0.00 0.00 175.35 174.87 1s8i s LYS 128 N 1.37 0.78 0.42 0.00 3.01 -1.26 -4.87 119.74 119.18 1s8i s LYS 128 Ca 0.05 0.19 -0.26 0.00 -1.01 0.00 0.00 55.97 54.94 1s8i s LYS 128 Cb -0.14 -1.81 -0.10 0.00 -1.01 0.00 0.00 37.83 34.78 1s8i s LYS 128 CO -0.06 -2.42 1.29 1.63 0.51 0.00 0.00 175.35 176.30 1s8i n LYS 129 N -3.90 1.99 -1.81 1.68 5.02 -1.26 -2.20 118.16 117.68 1s8i n LYS 129 Ca 0.08 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.68 1s8i n LYS 129 Cb 0.59 -2.41 0.01 0.00 -0.02 0.00 0.00 35.03 33.20 1s8i n LYS 129 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1s8i s PRO 130 N -2.20 3.80 0.76 1.97 0.02 -1.26 -3.49 135.00 134.59 1s8i s PRO 130 Ca 0.60 2.44 -0.11 0.00 0.02 0.00 0.00 61.00 63.96 1s8i s PRO 130 Cb -0.51 -2.73 0.06 0.00 0.02 0.00 0.00 34.50 31.34 1s8i s PRO 130 CO 0.58 -0.74 1.12 -1.21 -0.33 0.00 0.00 177.00 176.43 1s8i s GLU 131 N -2.36 2.22 0.47 5.54 2.02 -1.26 -4.89 118.70 120.43 1s8i s GLU 131 Ca 0.59 0.10 -0.14 0.00 0.02 0.00 0.00 54.97 55.53 1s8i s GLU 131 Cb -0.44 -2.02 -0.07 0.00 0.10 0.00 0.00 34.13 31.69 1s8i s GLU 131 CO 0.57 -1.38 0.90 0.95 0.02 0.00 0.00 175.26 176.33 1s8i s THR 132 N -3.44 4.63 -2.00 3.63 -4.23 -1.26 -5.04 115.64 107.92 1s8i s THR 132 Ca 0.61 1.00 0.14 0.00 -1.18 0.00 0.00 61.69 62.25 1s8i s THR 132 Cb -0.11 -3.72 0.39 0.00 1.34 0.00 0.00 72.50 70.40 1s8i s THR 132 CO 0.48 -0.61 1.25 0.00 -0.54 0.00 0.00 174.62 175.20