#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lsu s GLN 8 N 0.00 3.64 -0.07 1.64 1.11 -1.26 -4.96 119.66 119.76 1lsu s GLN 8 Ca 0.00 -0.05 0.03 0.00 0.01 0.00 0.00 55.36 55.35 1lsu s GLN 8 Cb 0.00 -2.78 0.01 0.00 -1.01 0.00 0.00 33.01 29.23 1lsu s GLN 8 CO 0.00 0.39 -0.15 -0.06 0.01 0.00 0.00 175.29 175.48 1lsu s PHE 9 N -1.78 1.71 -0.09 0.91 0.08 -1.26 -2.13 117.98 115.41 1lsu s PHE 9 Ca 0.42 -0.62 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 1lsu s PHE 9 Cb -0.12 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 1lsu s PHE 9 CO 0.25 -0.28 -0.06 0.00 -0.10 0.00 0.00 175.22 175.03 1lsu s ALA 10 N 0.49 1.11 -0.21 5.36 0.00 -0.47 -1.25 121.76 126.80 1lsu s ALA 10 Ca -0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1lsu s ALA 10 Cb -0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1lsu s ALA 10 CO 0.04 -0.32 -0.05 0.08 0.00 0.00 0.00 175.76 175.52 1lsu s VAL 11 N 1.55 3.40 -0.26 0.00 1.01 -0.07 0.89 120.40 126.93 1lsu s VAL 11 Ca 0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1lsu s VAL 11 Cb -0.13 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1lsu s VAL 11 CO -0.05 0.44 0.05 -0.63 0.00 0.00 0.00 175.10 174.90 1lsu s ILE 12 N 1.27 4.01 0.00 2.22 1.01 0.21 -1.83 121.20 128.10 1lsu s ILE 12 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1lsu s ILE 12 Cb -0.14 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1lsu s ILE 12 CO -0.02 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1lsu n GLY 13 N 4.88 1.11 2.78 6.18 0.00 -0.56 0.13 105.19 119.71 1lsu n GLY 13 Ca -0.16 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 1lsu n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lsu n LEU 14 N 0.00 6.77 0.00 0.99 4.77 -1.26 -3.98 117.00 124.29 1lsu n LEU 14 Ca 0.00 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 50.90 1lsu n LEU 14 Cb 0.00 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1lsu n LEU 14 CO 0.00 1.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.62 1lsu n GLY 15 N -0.42 0.30 0.33 -0.72 0.00 -1.26 -4.23 105.19 99.20 1lsu n GLY 15 Ca 0.48 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 1lsu n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lsu h ARG 16 N 0.00 1.03 0.00 1.61 3.08 -1.94 -0.66 114.38 117.50 1lsu h ARG 16 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1lsu h ARG 16 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1lsu h ARG 16 CO 0.00 0.81 0.00 0.34 -1.07 0.00 0.00 179.97 180.05 1lsu n PHE 17 N -4.32 0.00 -0.20 3.04 7.35 -1.26 -2.84 117.46 119.23 1lsu n PHE 17 Ca 0.07 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.76 1lsu n PHE 17 Cb 0.14 -0.41 0.10 0.00 0.35 0.00 0.00 39.48 39.66 1lsu n PHE 17 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1lsu h GLY 18 N 0.00 0.72 1.36 7.13 0.00 -1.69 -0.18 103.07 110.40 1lsu h GLY 18 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1lsu h GLY 18 CO 0.00 -0.14 0.43 -1.33 0.00 0.00 0.00 176.54 175.50 1lsu h GLY 19 N 0.21 0.92 0.91 4.60 0.00 -1.24 -1.85 103.07 106.62 1lsu h GLY 19 Ca 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1lsu h GLY 19 CO -0.43 0.34 0.03 0.23 0.00 0.00 0.00 176.54 176.71 1lsu h SER 20 N 0.89 0.56 0.94 0.19 0.87 -0.93 0.02 113.55 116.08 1lsu h SER 20 Ca 0.24 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1lsu h SER 20 Cb -0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1lsu h SER 20 CO -0.05 0.70 0.00 -0.29 -0.53 0.00 0.00 176.83 176.66 1lsu h ILE 21 N 0.39 0.00 0.17 2.23 2.10 -0.85 -1.18 117.51 120.38 1lsu h ILE 21 Ca 0.10 -0.46 -0.30 0.00 1.08 0.00 0.00 64.86 65.27 1lsu h ILE 21 Cb 0.40 1.45 0.01 0.00 -1.09 0.00 0.00 36.82 37.58 1lsu h ILE 21 CO 0.01 0.00 -1.40 0.58 -1.08 0.00 0.00 178.15 176.26 1lsu h VAL 22 N 0.00 1.33 0.01 2.19 2.07 -0.65 -2.91 116.25 118.29 1lsu h VAL 22 Ca 0.00 -2.87 -0.00 0.00 0.82 0.00 0.00 66.70 64.65 1lsu h VAL 22 Cb 0.47 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1lsu h VAL 22 CO 0.00 0.85 -0.00 0.50 0.02 0.00 0.00 177.57 178.94 1lsu h LYS 23 N 0.10 -0.01 -0.11 1.57 3.11 -0.52 -2.92 116.57 117.78 1lsu h LYS 23 Ca -0.21 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.65 1lsu h LYS 23 Cb 2.05 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.26 1lsu h LYS 23 CO 0.22 0.28 -0.01 0.93 -2.81 0.00 0.00 179.45 178.06 1lsu h GLU 24 N -0.30 0.03 -0.19 1.90 4.39 -1.34 0.82 114.58 119.89 1lsu h GLU 24 Ca -0.00 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1lsu h GLU 24 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1lsu h GLU 24 CO 0.00 0.02 0.17 -0.07 -1.16 0.00 0.00 179.01 177.97 1lsu h LEU 25 N 0.03 0.00 0.05 1.33 3.38 -1.57 0.12 115.31 118.65 1lsu h LEU 25 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1lsu h LEU 25 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1lsu h LEU 25 CO -0.09 0.00 -0.02 -0.74 0.09 0.00 0.00 178.44 177.67 1lsu h HIS 26 N 0.00 -0.06 -0.03 1.13 2.76 -1.09 0.11 115.15 117.96 1lsu h HIS 26 Ca 0.09 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1lsu h HIS 26 Cb 0.42 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1lsu h HIS 26 CO 0.00 0.56 0.09 -0.09 -1.30 0.00 0.00 177.93 177.19 1lsu h ARG 27 N -0.82 0.00 -0.01 5.26 1.12 0.15 0.18 114.38 120.26 1lsu h ARG 27 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1lsu h ARG 27 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1lsu h ARG 27 CO 0.01 0.00 -0.09 -1.33 -3.11 0.00 0.00 179.97 175.45 1lsu n MET 28 N -3.33 1.40 -1.09 0.20 2.81 0.32 -4.95 117.12 112.48 1lsu n MET 28 Ca -0.02 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 1lsu n MET 28 Cb 0.17 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1lsu n MET 28 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lsu n GLY 29 N 1.24 0.64 3.75 3.03 0.00 0.63 -5.06 105.19 109.42 1lsu n GLY 29 Ca 0.16 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1lsu n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lsu s HIS 30 N -2.00 2.98 -0.15 1.61 3.76 0.35 -5.03 115.29 116.81 1lsu s HIS 30 Ca 0.00 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 54.71 1lsu s HIS 30 Cb 0.00 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 1lsu s HIS 30 CO 0.00 0.54 0.12 -1.83 -0.85 0.00 0.00 174.74 172.72 1lsu s GLU 31 N -3.48 3.74 0.05 1.40 -1.05 -1.26 -4.21 118.70 113.89 1lsu s GLU 31 Ca 0.31 -0.20 0.06 0.00 -0.15 0.00 0.00 54.97 55.00 1lsu s GLU 31 Cb -0.08 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.33 1lsu s GLU 31 CO 0.22 0.55 -0.18 0.08 0.95 0.00 0.00 175.26 176.88 1lsu s VAL 32 N -0.38 1.46 -0.27 1.83 1.01 -1.26 -4.14 120.40 118.65 1lsu s VAL 32 Ca 0.11 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1lsu s VAL 32 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1lsu s VAL 32 CO 0.01 0.09 0.26 -0.22 0.00 0.00 0.00 175.10 175.24 1lsu s LEU 33 N -1.27 4.05 -0.26 3.92 1.98 -0.38 -2.33 118.68 124.38 1lsu s LEU 33 Ca 0.05 0.14 0.03 0.00 -2.89 0.00 0.00 54.13 51.46 1lsu s LEU 33 Cb -0.09 -2.25 0.06 0.00 0.66 0.00 0.00 46.19 44.58 1lsu s LEU 33 CO 0.02 -0.08 -0.10 0.00 -1.89 0.00 0.00 176.35 174.30 1lsu s ALA 34 N 1.73 2.59 0.06 5.97 0.00 -0.05 -0.89 121.76 131.18 1lsu s ALA 34 Ca 0.11 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.37 1lsu s ALA 34 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1lsu s ALA 34 CO 0.09 -1.21 -0.21 0.54 0.00 0.00 0.00 175.76 174.98 1lsu s VAL 35 N 1.11 2.60 0.24 0.00 0.11 -0.76 0.06 120.40 123.76 1lsu s VAL 35 Ca -0.08 -1.32 -0.15 0.00 -2.93 0.00 0.00 61.98 57.49 1lsu s VAL 35 Cb -0.20 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.56 1lsu s VAL 35 CO -0.05 0.29 0.52 -0.62 -3.33 0.00 0.00 175.10 171.92 1lsu s ASP 36 N -1.53 -0.16 -0.08 3.54 2.15 -0.89 -1.50 116.67 118.20 1lsu s ASP 36 Ca 0.14 -0.76 0.04 0.00 0.43 0.00 0.00 52.55 52.41 1lsu s ASP 36 Cb -0.10 0.60 -0.24 0.00 -0.30 0.00 0.00 42.92 42.87 1lsu s ASP 36 CO 0.05 -1.14 0.53 2.30 -0.17 0.00 0.00 175.17 176.74 1lsu n ILE 37 N -0.38 1.69 -3.59 4.11 -5.35 -1.00 0.44 119.36 115.28 1lsu n ILE 37 Ca -0.04 -0.74 -0.39 0.00 -0.27 0.00 0.00 62.75 61.31 1lsu n ILE 37 Cb 0.62 -1.34 -0.11 0.00 -1.74 0.00 0.00 39.64 37.07 1lsu n ILE 37 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lsu s ASN 38 N -6.50 5.95 0.57 7.28 6.03 -1.26 -4.58 114.94 122.43 1lsu s ASN 38 Ca -0.12 -0.17 0.32 0.00 -1.03 0.00 0.00 52.86 51.86 1lsu s ASN 38 Cb 0.07 -2.11 1.41 0.00 -3.03 0.00 0.00 41.25 37.60 1lsu s ASN 38 CO 0.80 -0.11 1.74 1.05 -2.03 0.00 0.00 177.10 178.55 1lsu h GLU 39 N 8.40 0.00 -0.27 3.55 4.11 -1.96 -0.23 114.58 128.17 1lsu h GLU 39 Ca -0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.15 1lsu h GLU 39 Cb 1.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1lsu h GLU 39 CO 0.58 0.00 -0.22 0.93 0.07 0.00 0.00 179.01 180.37 1lsu h GLU 40 N 0.00 -0.20 0.23 1.06 4.39 -1.98 0.82 114.58 118.90 1lsu h GLU 40 Ca 0.43 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1lsu h GLU 40 Cb 2.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.72 1lsu h GLU 40 CO -0.00 -0.13 -0.21 0.87 -1.16 0.00 0.00 179.01 178.37 1lsu h LYS 41 N -0.21 -0.44 -0.93 2.33 6.56 -1.44 -0.38 116.57 122.06 1lsu h LYS 41 Ca 0.15 0.03 0.11 0.00 -1.06 0.00 0.00 60.65 59.88 1lsu h LYS 41 Cb 0.43 0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 32.12 1lsu h LYS 41 CO -0.39 -0.30 0.59 0.28 -2.06 0.00 0.00 179.45 177.58 1lsu h VAL 42 N -0.46 0.93 -0.06 0.50 2.07 -1.31 0.50 116.25 118.42 1lsu h VAL 42 Ca -0.01 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1lsu h VAL 42 Cb 0.42 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1lsu h VAL 42 CO -0.04 0.16 -0.54 0.78 0.02 0.00 0.00 177.57 177.96 1lsu h ASN 43 N 0.89 0.20 0.62 0.57 2.35 0.11 -2.39 115.58 117.92 1lsu h ASN 43 Ca 0.45 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1lsu h ASN 43 Cb 0.49 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1lsu h ASN 43 CO -0.21 0.70 0.00 0.00 -1.65 0.00 0.00 177.43 176.27 1lsu n ALA 44 N -2.46 1.63 -0.30 -0.83 0.00 0.14 -2.89 120.51 115.79 1lsu n ALA 44 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1lsu n ALA 44 Cb 0.57 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1lsu n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lsu n TYR 45 N -2.01 0.00 0.14 0.00 4.02 -1.06 -4.73 117.16 113.52 1lsu n TYR 45 Ca 0.02 -0.27 0.13 0.00 -0.01 0.00 0.00 57.90 57.77 1lsu n TYR 45 Cb 0.20 -0.03 0.65 0.00 -0.02 0.00 0.00 39.34 40.14 1lsu n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1lsu h ALA 46 N 0.00 2.18 0.00 -0.72 0.00 -1.29 -0.29 119.26 119.14 1lsu h ALA 46 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lsu h ALA 46 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1lsu h ALA 46 CO 0.00 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 179.66 1lsu h SER 47 N 0.03 0.00 0.00 0.00 4.64 -1.85 -3.32 113.55 113.05 1lsu h SER 47 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1lsu h SER 47 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1lsu h SER 47 CO -0.00 0.00 -1.69 -1.22 -0.87 0.00 0.00 176.83 173.05 1lsu n TYR 48 N -2.57 0.00 -3.76 4.77 4.02 -0.23 -4.98 117.16 114.41 1lsu n TYR 48 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.57 1lsu n TYR 48 Cb 0.42 -0.35 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 1lsu n TYR 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1lsu s ALA 49 N -3.02 3.79 0.17 -0.72 0.00 -0.56 -4.65 121.76 116.77 1lsu s ALA 49 Ca -0.05 -0.57 0.31 0.00 0.00 0.00 0.00 51.96 51.65 1lsu s ALA 49 Cb 0.09 -2.11 1.71 0.00 0.00 0.00 0.00 23.12 22.82 1lsu s ALA 49 CO 0.62 0.46 1.96 0.00 0.00 0.00 0.00 175.76 178.80 1lsu h THR 50 N 4.15 0.00 -0.47 0.00 1.03 -1.79 -3.38 112.91 112.45 1lsu h THR 50 Ca -0.50 -0.00 0.20 0.00 -0.01 0.00 0.00 66.41 66.09 1lsu h THR 50 Cb 1.21 0.70 -0.21 0.00 -1.07 0.00 0.00 68.15 68.78 1lsu h THR 50 CO 0.64 0.00 0.01 -2.28 -0.01 0.00 0.00 175.52 173.87 1lsu s HIS 51 N -3.80 -0.78 -0.25 0.00 5.65 -0.99 -4.96 115.29 110.16 1lsu s HIS 51 Ca -0.03 0.73 -0.08 0.00 0.25 0.00 0.00 55.06 55.93 1lsu s HIS 51 Cb 0.09 0.24 -0.03 0.00 -1.18 0.00 0.00 32.58 31.70 1lsu s HIS 51 CO 0.29 -0.44 0.09 0.00 -0.65 0.00 0.00 174.74 174.03 1lsu s ALA 52 N 2.93 3.22 0.19 1.58 0.00 -1.26 -0.87 121.76 127.55 1lsu s ALA 52 Ca 0.08 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1lsu s ALA 52 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1lsu s ALA 52 CO -0.16 -0.47 -0.18 0.08 0.00 0.00 0.00 175.76 175.03 1lsu s VAL 53 N 1.59 2.70 -0.31 0.00 1.01 0.11 -4.96 120.40 120.54 1lsu s VAL 53 Ca 0.06 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.06 1lsu s VAL 53 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1lsu s VAL 53 CO 0.05 -0.11 0.19 -0.63 0.00 0.00 0.00 175.10 174.60 1lsu s ILE 54 N -1.68 5.06 0.24 2.22 1.01 -1.26 -2.11 121.20 124.70 1lsu s ILE 54 Ca 0.22 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 1lsu s ILE 54 Cb -0.08 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.87 1lsu s ILE 54 CO 0.12 0.10 0.59 0.00 0.00 0.00 0.00 174.94 175.75 1lsu s ALA 55 N 1.70 -0.84 -0.41 9.38 0.00 0.17 -4.94 121.76 126.83 1lsu s ALA 55 Ca 0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1lsu s ALA 55 Cb -0.17 0.92 0.11 0.00 0.00 0.00 0.00 23.12 23.99 1lsu s ALA 55 CO 0.09 -0.91 0.21 1.21 0.00 0.00 0.00 175.76 176.36 1lsu s ASN 56 N -2.94 5.24 0.00 0.00 2.47 -1.26 -2.38 114.94 116.08 1lsu s ASN 56 Ca 0.14 -2.05 0.05 0.00 0.42 0.00 0.00 52.86 51.42 1lsu s ASN 56 Cb -0.03 -1.82 0.27 0.00 -1.45 0.00 0.00 41.25 38.21 1lsu s ASN 56 CO 0.05 -0.54 0.88 0.00 -3.72 0.00 0.00 177.10 173.77 1lsu n ALA 57 N 4.56 1.54 1.23 1.71 0.00 -1.26 -1.64 120.51 126.65 1lsu n ALA 57 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1lsu n ALA 57 Cb 0.41 -1.08 0.36 0.00 0.00 0.00 0.00 19.45 19.14 1lsu n ALA 57 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1lsu n THR 58 N -1.15 0.00 -3.67 0.00 -2.24 -1.26 -4.53 114.28 101.42 1lsu n THR 58 Ca 0.03 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 1lsu n THR 58 Cb 0.03 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1lsu n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1lsu s GLU 59 N -2.49 3.08 0.10 -0.78 0.41 -0.65 -4.87 118.70 113.49 1lsu s GLU 59 Ca 0.24 -0.89 -0.19 0.00 -0.41 0.00 0.00 54.97 53.72 1lsu s GLU 59 Cb 0.19 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 1lsu s GLU 59 CO 0.52 -0.52 0.99 -0.85 -0.49 0.00 0.00 175.26 174.91 1lsu n GLU 60 N 4.94 -0.27 -0.27 1.61 0.00 -1.26 -1.78 120.64 123.60 1lsu n GLU 60 Ca -0.13 0.97 -0.05 0.00 0.00 0.00 0.00 57.16 57.95 1lsu n GLU 60 Cb 0.48 -1.42 0.06 0.00 0.00 0.00 0.00 31.44 30.56 1lsu n GLU 60 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.13 174.18 1lsu h ASN 61 N 0.00 0.87 0.06 -1.84 -1.07 -1.96 -2.55 115.58 109.10 1lsu h ASN 61 Ca 0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.43 1lsu h ASN 61 Cb 0.26 -0.22 -0.00 0.00 -2.07 0.00 0.00 38.32 36.29 1lsu h ASN 61 CO -0.59 0.63 -0.06 -0.33 0.07 0.00 0.00 177.43 177.16 1lsu h GLU 62 N 1.03 0.00 -0.02 4.14 5.08 -1.66 -1.04 114.58 122.10 1lsu h GLU 62 Ca 0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1lsu h GLU 62 Cb -0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1lsu h GLU 62 CO -0.06 0.06 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.52 1lsu h LEU 63 N 0.00 0.04 0.11 1.33 4.07 -1.30 -2.15 115.31 117.42 1lsu h LEU 63 Ca -0.00 -0.02 -0.27 0.00 0.08 0.00 0.00 57.88 57.67 1lsu h LEU 63 Cb 0.10 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 1lsu h LEU 63 CO 0.01 0.46 -1.23 -0.07 -1.08 0.00 0.00 178.44 176.52 1lsu h LEU 64 N 0.04 0.36 0.00 1.67 4.07 -1.18 -2.22 115.31 118.05 1lsu h LEU 64 Ca 0.00 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1lsu h LEU 64 Cb 0.75 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1lsu h LEU 64 CO 0.06 1.31 0.00 -1.20 -1.08 0.00 0.00 178.44 177.53 1lsu n SER 65 N -3.50 0.00 -0.07 -0.43 7.64 -0.80 -1.39 113.62 115.06 1lsu n SER 65 Ca -0.08 -0.38 -0.12 0.00 1.01 0.00 0.00 58.87 59.30 1lsu n SER 65 Cb 1.01 -0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.93 1lsu n SER 65 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1lsu n LEU 66 N -1.14 0.95 0.00 -3.43 7.94 -0.82 -4.98 117.00 115.52 1lsu n LEU 66 Ca 0.14 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1lsu n LEU 66 Cb 0.13 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1lsu n LEU 66 CO 0.15 0.57 0.00 0.61 -1.11 0.00 0.00 177.39 177.61 1lsu n GLY 67 N 1.79 0.61 0.41 -3.96 0.00 -0.49 -4.91 105.19 98.65 1lsu n GLY 67 Ca -0.30 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.89 1lsu n GLY 67 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1lsu h ILE 68 N 0.00 0.08 0.00 -0.61 2.04 -1.81 -0.71 117.51 116.49 1lsu h ILE 68 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1lsu h ILE 68 Cb 0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1lsu h ILE 68 CO 0.00 0.00 0.36 0.03 0.00 0.00 0.00 178.15 178.54 1lsu h ARG 69 N 0.00 0.00 -0.20 2.37 3.08 -1.91 -2.09 114.38 115.63 1lsu h ARG 69 Ca 0.21 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1lsu h ARG 69 Cb 1.88 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.90 1lsu h ARG 69 CO -0.00 0.00 -0.11 0.09 -1.07 0.00 0.00 179.97 178.88 1lsu n ASN 70 N -2.52 2.69 -4.39 7.04 3.02 -0.28 -4.91 115.26 115.91 1lsu n ASN 70 Ca -0.01 -3.46 -0.36 0.00 -0.03 0.00 0.00 54.58 50.72 1lsu n ASN 70 Cb 0.39 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 38.88 1lsu n ASN 70 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1lsu s PHE 71 N -3.06 3.03 0.50 3.10 0.40 -0.79 -4.75 117.98 116.41 1lsu s PHE 71 Ca 0.40 -0.64 0.15 0.00 -0.60 0.00 0.00 56.93 56.23 1lsu s PHE 71 Cb 0.36 -2.17 1.18 0.00 0.51 0.00 0.00 43.02 42.89 1lsu s PHE 71 CO 0.02 -0.43 2.11 1.49 0.70 0.00 0.00 175.22 179.11 1lsu h GLU 72 N 8.15 0.06 -4.53 0.44 4.81 -1.90 -3.41 114.58 118.21 1lsu h GLU 72 Ca -0.40 -0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.32 1lsu h GLU 72 Cb 1.17 -0.01 -0.34 0.00 0.63 0.00 0.00 28.75 30.20 1lsu h GLU 72 CO 0.59 0.07 -0.81 0.71 -0.73 0.00 0.00 179.01 178.84 1lsu s TYR 73 N -5.05 1.45 -0.01 0.92 1.51 -0.91 -1.84 117.35 113.42 1lsu s TYR 73 Ca -0.05 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.51 1lsu s TYR 73 Cb 0.17 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1lsu s TYR 73 CO 0.68 -0.28 -0.13 0.08 -1.11 0.00 0.00 175.55 174.79 1lsu s VAL 74 N 0.70 1.01 -0.12 0.71 1.01 -0.07 -1.36 120.40 122.27 1lsu s VAL 74 Ca -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1lsu s VAL 74 Cb -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1lsu s VAL 74 CO 0.03 0.26 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 1lsu s ILE 75 N -0.34 1.81 -0.66 2.22 1.01 0.26 -1.47 121.20 124.04 1lsu s ILE 75 Ca 0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1lsu s ILE 75 Cb -0.05 -1.62 0.15 0.00 0.01 0.00 0.00 42.46 40.95 1lsu s ILE 75 CO -0.00 0.50 0.66 -0.69 0.00 0.00 0.00 174.94 175.40 1lsu s VAL 76 N 0.85 5.22 -0.37 2.92 1.01 -0.18 0.68 120.40 130.53 1lsu s VAL 76 Ca -0.08 -1.68 0.06 0.00 0.00 0.00 0.00 61.98 60.28 1lsu s VAL 76 Cb -0.15 -4.43 0.56 0.00 0.00 0.00 0.00 36.38 32.35 1lsu s VAL 76 CO -0.01 -1.01 1.64 0.00 0.00 0.00 0.00 175.10 175.73 1lsu n ALA 77 N 5.17 4.93 -0.91 5.51 0.00 0.34 -1.61 120.51 133.95 1lsu n ALA 77 Ca -0.03 -3.12 -0.31 0.00 0.00 0.00 0.00 53.44 49.98 1lsu n ALA 77 Cb 0.43 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 18.99 1lsu n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lsu s ILE 78 N -3.43 2.44 0.00 0.00 1.01 -1.18 -4.49 121.20 115.56 1lsu s ILE 78 Ca 0.50 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1lsu s ILE 78 Cb 0.44 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1lsu s ILE 78 CO 0.03 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1lsu n GLY 79 N -0.19 1.63 0.00 6.18 0.00 -1.26 -4.86 105.19 106.69 1lsu n GLY 79 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1lsu n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lsu n ALA 80 N -3.00 0.08 -3.41 4.61 0.00 -1.26 -4.09 120.51 113.44 1lsu n ALA 80 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1lsu n ALA 80 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 1lsu n ALA 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1lsu s ASN 81 N -1.48 6.30 0.35 0.00 3.84 -1.26 -4.95 114.94 117.74 1lsu s ASN 81 Ca 0.00 -2.43 0.03 0.00 0.21 0.00 0.00 52.86 50.68 1lsu s ASN 81 Cb 0.00 -2.14 0.63 0.00 -0.55 0.00 0.00 41.25 39.20 1lsu s ASN 81 CO 0.00 -0.62 1.95 0.40 -2.79 0.00 0.00 177.10 176.04 1lsu h ILE 82 N 5.25 1.17 -0.05 -5.21 2.04 -1.97 -2.92 117.51 115.82 1lsu h ILE 82 Ca -0.04 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1lsu h ILE 82 Cb 1.04 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1lsu h ILE 82 CO 0.82 0.20 -0.04 1.56 0.00 0.00 0.00 178.15 180.70 1lsu h GLN 83 N 0.68 0.12 -0.40 2.37 4.20 -1.94 -2.05 115.11 118.09 1lsu h GLN 83 Ca 0.17 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1lsu h GLN 83 Cb 0.10 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 1lsu h GLN 83 CO -0.02 0.53 0.03 0.00 -0.67 0.00 0.00 178.83 178.70 1lsu h ALA 84 N 0.59 0.39 -0.12 3.87 0.00 -1.98 1.03 119.26 123.04 1lsu h ALA 84 Ca 0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1lsu h ALA 84 Cb 0.50 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1lsu h ALA 84 CO 0.01 -0.37 -0.34 1.03 0.00 0.00 0.00 179.25 179.58 1lsu h SER 85 N 0.14 -1.08 -0.42 0.00 0.87 -1.44 0.58 113.55 112.20 1lsu h SER 85 Ca 0.20 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1lsu h SER 85 Cb 0.27 0.43 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1lsu h SER 85 CO -0.30 -0.29 0.03 0.71 -0.53 0.00 0.00 176.83 176.44 1lsu h THR 86 N -0.34 1.25 -0.55 2.23 1.35 -0.82 0.13 112.91 116.17 1lsu h THR 86 Ca 0.02 -0.97 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1lsu h THR 86 Cb 0.41 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 1lsu h THR 86 CO -0.29 0.33 0.34 0.25 -0.25 0.00 0.00 175.52 175.91 1lsu h LEU 87 N 0.56 0.57 0.42 3.87 5.85 0.13 0.69 115.31 127.40 1lsu h LEU 87 Ca 0.12 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1lsu h LEU 87 Cb 0.44 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1lsu h LEU 87 CO 0.02 0.41 -0.22 0.74 -0.34 0.00 0.00 178.44 179.04 1lsu h THR 88 N 0.69 0.54 0.00 1.05 2.02 0.41 0.76 112.91 118.38 1lsu h THR 88 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1lsu h THR 88 Cb -0.02 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1lsu h THR 88 CO -0.07 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.77 1lsu h THR 89 N -0.60 0.47 0.00 3.16 1.03 -0.35 -1.69 112.91 114.94 1lsu h THR 89 Ca -0.05 -0.20 -0.06 0.00 -0.01 0.00 0.00 66.41 66.08 1lsu h THR 89 Cb 0.47 1.13 0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1lsu h THR 89 CO 0.08 0.04 -0.25 0.25 -0.01 0.00 0.00 175.52 175.63 1lsu h LEU 90 N 0.00 0.21 0.25 0.00 5.85 0.15 -2.15 115.31 119.62 1lsu h LEU 90 Ca -0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 1lsu h LEU 90 Cb 0.13 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1lsu h LEU 90 CO 0.01 0.98 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.71 1lsu h LEU 91 N -0.52 -0.85 -2.42 2.25 3.38 0.13 -2.56 115.31 114.72 1lsu h LEU 91 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1lsu h LEU 91 Cb 1.02 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1lsu h LEU 91 CO 0.05 -0.38 -0.03 0.17 0.09 0.00 0.00 178.44 178.34 1lsu h LEU 92 N -0.56 0.00 -1.91 1.67 8.10 -1.47 0.17 115.31 121.30 1lsu h LEU 92 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 1lsu h LEU 92 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1lsu h LEU 92 CO -0.07 0.03 -0.12 0.50 -4.11 0.00 0.00 178.44 174.67 1lsu h LYS 93 N 0.00 0.00 -0.01 0.17 1.63 -0.99 0.79 116.57 118.17 1lsu h LYS 93 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1lsu h LYS 93 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1lsu h LYS 93 CO 0.00 0.12 -0.33 -0.85 -3.45 0.00 0.00 179.45 174.95 1lsu n GLU 94 N -3.95 0.83 0.00 1.90 0.28 0.57 -3.30 120.64 116.97 1lsu n GLU 94 Ca -0.02 -0.54 0.14 0.00 -0.16 0.00 0.00 57.16 56.58 1lsu n GLU 94 Cb 0.21 -1.49 0.51 0.00 1.43 0.00 0.00 31.44 32.10 1lsu n GLU 94 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1lsu n LEU 95 N -0.62 0.73 -0.70 -1.84 7.99 0.26 -4.93 117.00 117.89 1lsu n LEU 95 Ca 0.11 -0.12 -0.07 0.00 -0.01 0.00 0.00 56.01 55.93 1lsu n LEU 95 Cb 0.37 -0.15 -0.01 0.00 -0.11 0.00 0.00 43.42 43.51 1lsu n LEU 95 CO 0.27 0.14 -0.08 0.47 -1.51 0.00 0.00 177.39 176.68 1lsu n ASP 96 N -0.80 -3.03 -4.65 -1.43 9.92 -1.11 -4.91 116.55 110.53 1lsu n ASP 96 Ca 0.13 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 54.02 1lsu n ASP 96 Cb 0.31 -1.95 -0.03 0.00 -0.64 0.00 0.00 41.12 38.81 1lsu n ASP 96 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1lsu s ILE 97 N -2.31 3.36 0.33 0.53 1.01 -1.20 -4.85 121.20 118.07 1lsu s ILE 97 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 60.65 61.18 1lsu s ILE 97 Cb 0.00 -3.30 0.32 0.00 0.01 0.00 0.00 42.46 39.49 1lsu s ILE 97 CO 0.00 -0.07 1.75 -0.65 0.00 0.00 0.00 174.94 175.97 1lsu h PRO 98 N 10.56 0.57 -3.41 2.79 0.11 -1.82 -3.39 132.00 137.40 1lsu h PRO 98 Ca -0.42 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.24 1lsu h PRO 98 Cb 1.20 -0.13 -0.39 0.00 0.11 0.00 0.00 31.00 31.79 1lsu h PRO 98 CO 0.96 0.37 -0.75 -0.80 -0.21 0.00 0.00 178.00 177.57 1lsu s ASN 99 N -5.26 1.55 -0.11 -2.05 -0.87 -0.77 -4.99 114.94 102.44 1lsu s ASN 99 Ca -0.10 -0.12 -0.00 0.00 -1.57 0.00 0.00 52.86 51.07 1lsu s ASN 99 Cb 0.26 -0.27 0.02 0.00 -0.02 0.00 0.00 41.25 41.24 1lsu s ASN 99 CO 0.80 -0.25 -0.08 -0.51 -2.57 0.00 0.00 177.10 174.49 1lsu s ILE 100 N 2.09 1.06 -0.08 0.60 2.07 -1.26 -0.89 121.20 124.78 1lsu s ILE 100 Ca 0.04 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 1lsu s ILE 100 Cb -0.13 -1.06 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 1lsu s ILE 100 CO -0.05 0.37 -0.06 0.26 -1.91 0.00 0.00 174.94 173.55 1lsu s TRP 101 N 1.60 2.96 -0.00 3.50 0.52 -0.54 -1.59 118.94 125.39 1lsu s TRP 101 Ca 0.03 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.19 1lsu s TRP 101 Cb -0.13 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1lsu s TRP 101 CO -0.07 0.32 -0.10 0.08 0.02 0.00 0.00 176.95 177.20 1lsu s VAL 102 N -0.73 0.75 0.41 4.03 1.01 0.28 -1.01 120.40 125.14 1lsu s VAL 102 Ca 0.11 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1lsu s VAL 102 Cb -0.11 -0.64 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 1lsu s VAL 102 CO 0.02 0.16 0.87 -0.75 0.00 0.00 0.00 175.10 175.39 1lsu s LYS 103 N -0.37 4.06 0.18 2.72 2.20 -0.63 -0.79 119.74 127.11 1lsu s LYS 103 Ca 0.03 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.52 1lsu s LYS 103 Cb -0.04 -2.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.96 1lsu s LYS 103 CO -0.00 -0.01 0.02 0.00 -0.36 0.00 0.00 175.35 174.99 1lsu s ALA 104 N -2.22 1.35 0.00 3.13 0.00 0.12 -4.77 121.76 119.37 1lsu s ALA 104 Ca 0.58 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1lsu s ALA 104 Cb -0.10 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1lsu s ALA 104 CO 0.20 -0.35 0.00 0.94 0.00 0.00 0.00 175.76 176.55 1lsu n GLN 105 N -0.25 0.00 -4.37 0.00 0.00 -1.26 -4.54 117.38 106.96 1lsu n GLN 105 Ca -0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.67 1lsu n GLN 105 Cb 0.64 -0.19 -0.13 0.00 0.00 0.00 0.00 30.24 30.56 1lsu n GLN 105 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1lsu s ASN 106 N 0.00 3.15 0.22 1.69 -0.87 -1.26 -4.96 114.94 112.91 1lsu s ASN 106 Ca 0.00 -0.74 -0.01 0.00 -1.57 0.00 0.00 52.86 50.54 1lsu s ASN 106 Cb 0.00 -0.20 0.20 0.00 -0.02 0.00 0.00 41.25 41.22 1lsu s ASN 106 CO 0.00 0.15 1.57 0.22 -2.57 0.00 0.00 177.10 176.47 1lsu h TYR 107 N 3.90 0.65 0.67 2.20 3.20 -1.99 0.31 116.97 125.91 1lsu h TYR 107 Ca -0.50 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.14 1lsu h TYR 107 Cb 1.17 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 39.32 1lsu h TYR 107 CO 0.61 0.89 -0.32 1.88 -1.64 0.00 0.00 178.16 179.58 1lsu h TYR 108 N 0.43 -0.84 -0.37 -3.82 0.05 -1.98 -0.00 116.97 110.43 1lsu h TYR 108 Ca 0.03 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.85 1lsu h TYR 108 Cb 0.96 0.28 -0.09 0.00 1.01 0.00 0.00 36.73 38.90 1lsu h TYR 108 CO 0.04 -0.52 -0.47 1.25 -1.05 0.00 0.00 178.16 177.40 1lsu h HIS 109 N -0.96 -1.40 -0.63 4.88 2.76 -1.90 0.37 115.15 118.27 1lsu h HIS 109 Ca -0.09 0.07 0.13 0.00 -2.20 0.00 0.00 60.37 58.28 1lsu h HIS 109 Cb 0.69 0.66 -0.11 0.00 1.55 0.00 0.00 27.41 30.20 1lsu h HIS 109 CO 0.06 -0.47 -0.04 1.25 -1.30 0.00 0.00 177.93 177.43 1lsu h HIS 110 N -0.37 -0.12 -0.24 5.26 -0.00 -0.38 -0.48 115.15 118.81 1lsu h HIS 110 Ca 0.11 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1lsu h HIS 110 Cb 0.60 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 1lsu h HIS 110 CO -0.64 -0.20 0.14 -0.22 -0.00 0.00 0.00 177.93 177.01 1lsu h LYS 111 N 0.08 0.32 0.08 5.26 3.64 0.11 0.28 116.57 126.33 1lsu h LYS 111 Ca 0.33 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1lsu h LYS 111 Cb 0.53 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1lsu h LYS 111 CO -0.58 0.22 -0.47 -0.39 -2.27 0.00 0.00 179.45 175.97 1lsu h VAL 112 N 0.33 1.62 -0.76 2.00 -1.51 0.02 -3.02 116.25 114.93 1lsu h VAL 112 Ca 0.09 -2.45 0.11 0.00 -1.23 0.00 0.00 66.70 63.22 1lsu h VAL 112 Cb -0.01 3.27 -0.08 0.00 -2.13 0.00 0.00 31.29 32.34 1lsu h VAL 112 CO -0.02 0.66 0.38 -0.07 -1.23 0.00 0.00 177.57 177.30 1lsu h LEU 113 N -0.66 0.49 -0.10 4.19 3.38 -0.96 0.84 115.31 122.48 1lsu h LEU 113 Ca -0.08 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1lsu h LEU 113 Cb 1.35 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 1lsu h LEU 113 CO 0.08 0.26 -0.46 -0.08 0.09 0.00 0.00 178.44 178.32 1lsu h GLU 114 N 0.62 -0.53 0.00 1.13 4.81 -0.49 -1.73 114.58 118.39 1lsu h GLU 114 Ca 0.39 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1lsu h GLU 114 Cb 0.45 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1lsu h GLU 114 CO -0.30 -0.35 0.00 1.57 -0.73 0.00 0.00 179.01 179.20 1lsu h LYS 115 N -0.55 0.00 0.00 1.92 2.10 -0.99 -3.08 116.57 115.98 1lsu h LYS 115 Ca 0.06 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.64 1lsu h LYS 115 Cb 0.66 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1lsu h LYS 115 CO -0.40 0.00 -0.29 0.82 -2.00 0.00 0.00 179.45 177.58 1lsu h ILE 116 N 0.00 0.84 0.00 0.07 2.04 0.11 -3.46 117.51 117.10 1lsu h ILE 116 Ca 0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1lsu h ILE 116 Cb 0.81 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1lsu h ILE 116 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1lsu n GLY 117 N -0.15 1.10 3.69 5.37 0.00 -0.95 -5.02 105.19 109.23 1lsu n GLY 117 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1lsu n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lsu s ALA 118 N -2.00 3.42 0.44 4.61 0.00 -0.69 -4.93 121.76 122.61 1lsu s ALA 118 Ca 0.00 0.15 0.28 0.00 0.00 0.00 0.00 51.96 52.39 1lsu s ALA 118 Cb 0.00 -3.20 1.51 0.00 0.00 0.00 0.00 23.12 21.42 1lsu s ALA 118 CO 0.00 -0.47 2.10 -0.44 0.00 0.00 0.00 175.76 176.95 1lsu h ASP 119 N 7.12 0.00 -2.95 0.00 3.32 -1.64 -3.43 116.42 118.84 1lsu h ASP 119 Ca -0.33 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1lsu h ASP 119 Cb 1.16 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 1lsu h ASP 119 CO 0.81 0.10 -0.01 -0.60 -1.72 0.00 0.00 179.24 177.82 1lsu s ARG 120 N -4.28 0.68 -0.12 3.56 3.52 -1.22 -5.00 118.95 116.11 1lsu s ARG 120 Ca -0.03 1.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.77 1lsu s ARG 120 Cb 0.13 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1lsu s ARG 120 CO 0.58 -0.15 -0.07 0.42 -0.81 0.00 0.00 175.30 175.26 1lsu s ILE 121 N 1.71 3.61 -0.08 4.11 -1.09 -1.26 -0.56 121.20 127.64 1lsu s ILE 121 Ca -0.10 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1lsu s ILE 121 Cb -0.06 -2.53 -0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1lsu s ILE 121 CO -0.20 0.54 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.19 1lsu s ILE 122 N -0.05 1.93 -0.63 2.92 1.01 0.03 -4.95 121.20 121.48 1lsu s ILE 122 Ca -0.00 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1lsu s ILE 122 Cb -0.13 -1.66 0.15 0.00 0.01 0.00 0.00 42.46 40.83 1lsu s ILE 122 CO 0.03 0.53 0.40 -1.00 0.00 0.00 0.00 174.94 174.91 1lsu s HIS 123 N 0.21 3.40 0.27 3.97 3.76 -1.26 0.12 115.29 125.75 1lsu s HIS 123 Ca -0.13 -3.20 0.04 0.00 -0.15 0.00 0.00 55.06 51.61 1lsu s HIS 123 Cb -0.16 -2.83 0.71 0.00 1.11 0.00 0.00 32.58 31.41 1lsu s HIS 123 CO 0.07 -0.67 1.30 -2.30 -0.85 0.00 0.00 174.74 172.29 1lsu n PRO 124 N 2.62 -0.06 -0.04 8.40 -0.02 -1.26 -0.31 135.00 144.33 1lsu n PRO 124 Ca 0.12 1.23 -0.15 0.00 -2.02 0.00 0.00 63.50 62.68 1lsu n PRO 124 Cb 0.34 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 1lsu n PRO 124 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1lsu h GLU 125 N 0.00 0.48 0.07 -0.52 4.57 -1.96 -1.29 114.58 115.93 1lsu h GLU 125 Ca 0.54 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1lsu h GLU 125 Cb 1.17 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1lsu h GLU 125 CO -0.76 0.98 -0.03 0.87 -1.18 0.00 0.00 179.01 178.89 1lsu h LYS 126 N 0.07 -0.09 -0.66 1.92 1.79 -1.48 -2.41 116.57 115.70 1lsu h LYS 126 Ca -0.02 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1lsu h LYS 126 Cb 1.03 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1lsu h LYS 126 CO 0.09 0.38 0.35 -0.44 -1.08 0.00 0.00 179.45 178.74 1lsu h ASP 127 N -0.61 0.85 0.33 0.86 3.32 -0.78 -0.47 116.42 119.91 1lsu h ASP 127 Ca -0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1lsu h ASP 127 Cb 0.51 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1lsu h ASP 127 CO 0.02 0.72 -0.12 -0.03 -1.72 0.00 0.00 179.24 178.10 1lsu h MET 128 N 0.91 0.00 0.89 3.56 4.05 -1.29 -1.06 114.93 121.99 1lsu h MET 128 Ca 0.23 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.61 1lsu h MET 128 Cb 0.07 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1lsu h MET 128 CO -0.03 0.12 -0.43 0.78 0.23 0.00 0.00 176.91 177.58 1lsu h GLY 129 N 0.79 -1.24 0.79 1.39 0.00 -0.56 -1.86 103.07 102.38 1lsu h GLY 129 Ca -0.00 0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.84 1lsu h GLY 129 CO 0.02 -0.45 0.56 -0.39 0.00 0.00 0.00 176.54 176.27 1lsu h VAL 130 N -1.29 1.09 -0.92 4.60 -1.51 -1.00 -1.59 116.25 115.63 1lsu h VAL 130 Ca -0.12 -0.36 0.12 0.00 -1.23 0.00 0.00 66.70 65.11 1lsu h VAL 130 Cb 0.91 -0.05 -0.07 0.00 -2.13 0.00 0.00 31.29 29.95 1lsu h VAL 130 CO 0.20 0.19 0.59 0.50 -1.23 0.00 0.00 177.57 177.82 1lsu h LYS 131 N 1.05 0.82 0.01 5.19 3.64 -1.13 0.90 116.57 127.06 1lsu h LYS 131 Ca 0.37 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1lsu h LYS 131 Cb 0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1lsu h LYS 131 CO -0.15 0.54 -0.01 0.82 -2.27 0.00 0.00 179.45 178.39 1lsu h ILE 132 N 0.85 1.52 -0.98 2.00 2.04 -0.45 -1.48 117.51 121.01 1lsu h ILE 132 Ca 0.45 -1.74 0.21 0.00 1.00 0.00 0.00 64.86 64.78 1lsu h ILE 132 Cb 0.53 2.67 -0.09 0.00 -0.74 0.00 0.00 36.82 39.19 1lsu h ILE 132 CO -0.21 0.44 0.62 0.00 0.00 0.00 0.00 178.15 179.00 1lsu h ALA 133 N 0.16 1.94 0.56 1.87 0.00 -1.13 0.36 119.26 123.02 1lsu h ALA 133 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1lsu h ALA 133 Cb 0.73 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1lsu h ALA 133 CO 0.00 -0.29 -0.44 0.37 0.00 0.00 0.00 179.25 178.89 1lsu h GLN 134 N 0.59 -0.94 -0.68 0.00 4.15 -0.70 -2.34 115.11 115.18 1lsu h GLN 134 Ca 0.55 0.06 0.15 0.00 0.77 0.00 0.00 58.65 60.18 1lsu h GLN 134 Cb 1.10 0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.96 1lsu h GLN 134 CO -0.30 -0.63 0.47 0.77 -1.93 0.00 0.00 178.83 177.20 1lsu h SER 135 N -0.98 0.26 0.18 -0.69 0.02 0.64 -2.01 113.55 110.97 1lsu h SER 135 Ca -0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1lsu h SER 135 Cb 0.83 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1lsu h SER 135 CO 0.00 0.14 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.67 1lsu h LEU 136 N 0.28 -0.21 -0.45 5.07 3.38 -0.11 -0.41 115.31 122.86 1lsu h LEU 136 Ca 0.33 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1lsu h LEU 136 Cb 0.91 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1lsu h LEU 136 CO -0.08 -0.01 0.23 0.77 0.09 0.00 0.00 178.44 179.44 1lsu h SER 137 N -0.40 0.33 -0.75 -0.43 4.64 -0.92 -1.73 113.55 114.29 1lsu h SER 137 Ca -0.03 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1lsu h SER 137 Cb 0.31 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 1lsu h SER 137 CO 0.04 0.23 0.49 0.44 -0.87 0.00 0.00 176.83 177.16 1lsu h ASP 138 N 0.45 0.64 0.00 4.97 3.32 -1.23 -2.13 116.42 122.44 1lsu h ASP 138 Ca 0.20 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1lsu h ASP 138 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1lsu h ASP 138 CO -0.14 0.40 0.00 -0.62 -1.72 0.00 0.00 179.24 177.16 1lsu n GLU 139 N -4.49 0.20 0.00 3.56 -0.58 -0.18 -5.10 120.64 114.06 1lsu n GLU 139 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1lsu n GLU 139 Cb 0.28 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 1lsu n GLU 139 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74