#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 2.61 -0.09 1.64 1.11 -1.26 -4.91 119.66 118.75 1lsu s GLN 8 Ca 0.00 -0.97 -0.00 0.00 0.01 0.00 0.00 55.36 54.40 1lsu s GLN 8 Cb 0.00 -2.49 0.02 0.00 -1.01 0.00 0.00 33.01 29.53 1lsu s GLN 8 CO 0.00 0.48 -0.07 -0.06 0.01 0.00 0.00 175.29 175.65 1lsu s PHE 9 N -1.67 1.30 -0.11 0.91 0.08 -1.25 -2.88 117.98 114.36 1lsu s PHE 9 Ca 0.28 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.78 1lsu s PHE 9 Cb -0.10 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1lsu s PHE 9 CO 0.20 -0.42 -0.18 0.00 -0.10 0.00 0.00 175.22 174.71 1lsu s ALA 10 N 1.53 1.88 -0.17 5.36 0.00 -0.44 -0.19 121.76 129.72 1lsu s ALA 10 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1lsu s ALA 10 Cb -0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1lsu s ALA 10 CO -0.05 0.04 -0.11 0.08 0.00 0.00 0.00 175.76 175.71 1lsu s VAL 11 N 0.77 2.96 -0.30 0.00 1.01 0.81 -0.46 120.40 125.18 1lsu s VAL 11 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1lsu s VAL 11 Cb -0.16 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1lsu s VAL 11 CO 0.01 0.49 0.06 -0.63 0.00 0.00 0.00 175.10 175.03 1lsu s ILE 12 N 0.91 3.63 0.00 2.22 1.01 0.49 -1.47 121.20 128.00 1lsu s ILE 12 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1lsu s ILE 12 Cb -0.15 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1lsu s ILE 12 CO -0.01 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1lsu n GLY 13 N 4.79 2.07 2.48 6.18 0.00 -0.64 0.22 105.19 120.30 1lsu n GLY 13 Ca -0.14 -1.03 -0.27 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 3.91 0.00 0.99 4.77 -1.26 -4.09 117.00 121.32 1lsu n LEU 14 Ca 0.00 -5.47 0.00 0.00 -0.03 0.00 0.00 56.01 50.51 1lsu n LEU 14 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1lsu n LEU 14 CO 0.00 2.08 0.00 0.61 -1.33 0.00 0.00 177.39 178.75 1lsu n GLY 15 N 0.74 2.44 0.25 -0.72 0.00 -1.26 -4.45 105.19 102.18 1lsu n GLY 15 Ca 0.30 -2.04 0.03 0.00 0.00 0.00 0.00 46.02 44.31 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 0.16 0.33 1.61 3.08 -1.96 0.52 114.38 118.12 1lsu h ARG 16 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1lsu h ARG 16 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1lsu h ARG 16 CO 0.00 0.10 -0.16 0.35 -1.07 0.00 0.00 179.97 179.19 1lsu h PHE 17 N 0.16 -0.41 -0.51 3.04 3.57 -1.93 -2.94 116.94 117.92 1lsu h PHE 17 Ca 0.36 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.91 1lsu h PHE 17 Cb 0.60 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 1lsu h PHE 17 CO -0.34 -0.26 0.22 0.78 -2.23 0.00 0.00 178.31 176.48 1lsu h GLY 18 N -0.88 0.70 1.32 2.40 0.00 -1.68 -1.21 103.07 103.71 1lsu h GLY 18 Ca -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1lsu h GLY 18 CO 0.07 0.05 0.04 -1.33 0.00 0.00 0.00 176.54 175.37 1lsu h GLY 19 N 0.42 0.90 1.02 4.60 0.00 -1.04 -2.67 103.07 106.30 1lsu h GLY 19 Ca 0.24 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1lsu h GLY 19 CO -0.21 0.54 0.18 0.23 0.00 0.00 0.00 176.54 177.28 1lsu h SER 20 N 0.79 0.93 1.33 0.19 0.87 -1.20 0.08 113.55 116.54 1lsu h SER 20 Ca 0.16 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1lsu h SER 20 Cb 0.42 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1lsu h SER 20 CO 0.01 0.91 0.00 0.16 -0.53 0.00 0.00 176.83 177.38 1lsu h ILE 21 N 0.91 0.00 0.14 2.23 3.07 -1.13 -0.88 117.51 121.85 1lsu h ILE 21 Ca 0.20 -0.61 -0.26 0.00 1.55 0.00 0.00 64.86 65.74 1lsu h ILE 21 Cb 0.32 1.57 0.03 0.00 -0.27 0.00 0.00 36.82 38.47 1lsu h ILE 21 CO -0.00 0.00 -1.09 0.58 -1.05 0.00 0.00 178.15 176.59 1lsu h VAL 22 N 0.00 1.37 -0.18 0.16 2.07 -1.07 -2.49 116.25 116.11 1lsu h VAL 22 Ca 0.00 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 1lsu h VAL 22 Cb 0.66 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1lsu h VAL 22 CO 0.00 0.73 0.06 0.50 0.02 0.00 0.00 177.57 178.88 1lsu h LYS 23 N 0.00 0.29 -0.28 1.57 1.63 -0.75 -2.44 116.57 116.59 1lsu h LYS 23 Ca -0.18 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.60 1lsu h LYS 23 Cb 1.82 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 33.37 1lsu h LYS 23 CO 0.21 0.39 0.07 1.49 -3.45 0.00 0.00 179.45 178.16 1lsu h GLU 24 N 0.12 0.18 -0.61 1.90 4.22 -1.25 -0.06 114.58 119.08 1lsu h GLU 24 Ca 0.06 -0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.60 1lsu h GLU 24 Cb 0.23 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1lsu h GLU 24 CO -0.00 0.12 0.41 -0.07 -2.18 0.00 0.00 179.01 177.29 1lsu h LEU 25 N 0.19 0.31 0.26 1.64 3.38 -1.36 -1.77 115.31 117.96 1lsu h LEU 25 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1lsu h LEU 25 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1lsu h LEU 25 CO -0.15 0.18 -0.12 -0.74 0.09 0.00 0.00 178.44 177.69 1lsu h HIS 26 N 0.34 -0.32 0.00 1.13 2.76 -0.69 -0.65 115.15 117.72 1lsu h HIS 26 Ca 0.29 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1lsu h HIS 26 Cb 0.66 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1lsu h HIS 26 CO -0.00 -0.07 0.38 -0.09 -1.30 0.00 0.00 177.93 176.85 1lsu h ARG 27 N -1.03 0.00 -0.53 5.26 1.12 -0.67 1.91 114.38 120.43 1lsu h ARG 27 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1lsu h ARG 27 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1lsu h ARG 27 CO 0.06 0.00 0.00 -1.33 -3.11 0.00 0.00 179.97 175.59 1lsu n MET 28 N -2.38 2.41 -2.89 0.20 2.81 -0.70 -4.95 117.12 111.62 1lsu n MET 28 Ca -0.01 -2.18 -0.10 0.00 -1.81 0.00 0.00 57.70 53.60 1lsu n MET 28 Cb 0.40 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.47 0.09 3.37 3.03 0.00 0.65 -5.05 105.19 108.75 1lsu n GLY 29 Ca 0.20 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.18 2.26 0.00 1.61 3.76 -0.26 -5.03 115.29 114.46 1lsu s HIS 30 Ca 0.14 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.49 1lsu s HIS 30 Cb -0.06 -1.24 -0.06 0.00 1.11 0.00 0.00 32.58 32.33 1lsu s HIS 30 CO 0.38 0.30 0.49 -1.83 -0.85 0.00 0.00 174.74 173.23 1lsu s GLU 31 N -1.94 4.12 0.00 1.40 -1.05 -1.26 -4.26 118.70 115.71 1lsu s GLU 31 Ca 0.13 0.55 0.01 0.00 -0.15 0.00 0.00 54.97 55.50 1lsu s GLU 31 Cb -0.10 -3.28 -0.00 0.00 -0.44 0.00 0.00 34.13 30.31 1lsu s GLU 31 CO 0.05 0.55 -0.03 0.08 0.95 0.00 0.00 175.26 176.86 1lsu s VAL 32 N -0.70 0.22 -0.23 1.83 1.01 -1.26 -3.89 120.40 117.39 1lsu s VAL 32 Ca 0.26 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1lsu s VAL 32 Cb -0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1lsu s VAL 32 CO 0.15 0.03 0.42 -0.22 0.00 0.00 0.00 175.10 175.48 1lsu s LEU 33 N -0.16 4.11 -0.35 3.92 1.98 0.73 -2.63 118.68 126.27 1lsu s LEU 33 Ca 0.00 0.48 0.03 0.00 -2.89 0.00 0.00 54.13 51.75 1lsu s LEU 33 Cb -0.02 -2.53 0.10 0.00 0.66 0.00 0.00 46.19 44.41 1lsu s LEU 33 CO -0.00 -0.14 0.09 0.00 -1.89 0.00 0.00 176.35 174.41 1lsu s ALA 34 N 1.66 2.56 0.18 5.97 0.00 -0.61 -0.14 121.76 131.39 1lsu s ALA 34 Ca 0.19 -2.39 0.04 0.00 0.00 0.00 0.00 51.96 49.80 1lsu s ALA 34 Cb -0.15 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1lsu s ALA 34 CO 0.09 -1.73 0.27 0.54 0.00 0.00 0.00 175.76 174.92 1lsu s VAL 35 N 0.95 5.07 -0.10 0.00 0.11 -0.54 -1.44 120.40 124.46 1lsu s VAL 35 Ca 0.12 -0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 57.97 1lsu s VAL 35 Cb -0.19 -3.66 0.11 0.00 -1.53 0.00 0.00 36.38 31.11 1lsu s VAL 35 CO -0.11 -0.17 0.91 -0.62 -3.33 0.00 0.00 175.10 171.77 1lsu s ASP 36 N -3.44 -0.42 -0.07 3.54 3.68 -0.86 -1.62 116.67 117.49 1lsu s ASP 36 Ca 0.34 0.33 -0.24 0.00 2.13 0.00 0.00 52.55 55.11 1lsu s ASP 36 Cb -0.10 0.37 -0.20 0.00 -1.45 0.00 0.00 42.92 41.54 1lsu s ASP 36 CO 0.27 -0.47 0.96 0.16 0.13 0.00 0.00 175.17 176.23 1lsu h ILE 37 N 2.46 1.27 -3.31 4.11 3.07 -1.60 0.43 117.51 123.94 1lsu h ILE 37 Ca -0.21 -1.45 -0.60 0.00 1.55 0.00 0.00 64.86 64.15 1lsu h ILE 37 Cb 1.18 2.17 -0.09 0.00 -0.27 0.00 0.00 36.82 39.81 1lsu h ILE 37 CO 0.32 0.34 0.43 0.54 -1.05 0.00 0.00 178.15 178.74 1lsu s ASN 38 N -5.75 6.80 0.59 2.16 6.03 -1.26 -4.26 114.94 119.24 1lsu s ASN 38 Ca -0.15 0.99 0.29 0.00 -1.03 0.00 0.00 52.86 52.96 1lsu s ASN 38 Cb -0.00 -2.42 1.45 0.00 -3.03 0.00 0.00 41.25 37.25 1lsu s ASN 38 CO 0.59 -0.50 1.87 1.05 -2.03 0.00 0.00 177.10 178.08 1lsu h GLU 39 N 7.71 0.00 -0.67 3.55 4.11 -1.95 -1.57 114.58 125.77 1lsu h GLU 39 Ca -0.23 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.28 1lsu h GLU 39 Cb 1.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 1lsu h GLU 39 CO 0.86 0.00 0.32 0.93 0.07 0.00 0.00 179.01 181.19 1lsu h GLU 40 N 0.00 0.55 0.01 1.06 5.08 -1.98 2.09 114.58 121.39 1lsu h GLU 40 Ca 0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1lsu h GLU 40 Cb 1.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1lsu h GLU 40 CO -0.00 0.36 -0.01 0.87 -1.00 0.00 0.00 179.01 179.23 1lsu h LYS 41 N 0.56 -0.01 -0.74 2.33 6.56 -1.66 -0.53 116.57 123.08 1lsu h LYS 41 Ca 0.32 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.93 1lsu h LYS 41 Cb 0.33 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.95 1lsu h LYS 41 CO -0.26 0.24 0.49 0.28 -2.06 0.00 0.00 179.45 178.15 1lsu h VAL 42 N -0.27 1.18 -0.19 0.50 2.07 -1.11 -2.41 116.25 116.02 1lsu h VAL 42 Ca -0.00 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1lsu h VAL 42 Cb 0.26 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1lsu h VAL 42 CO 0.00 0.18 -0.05 0.78 0.02 0.00 0.00 177.57 178.50 1lsu h ASN 43 N 0.99 0.37 0.00 0.57 2.35 0.35 -2.40 115.58 117.81 1lsu h ASN 43 Ca 0.28 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1lsu h ASN 43 Cb -0.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1lsu h ASN 43 CO -0.06 0.66 0.01 0.00 -1.65 0.00 0.00 177.43 176.39 1lsu n ALA 44 N -2.37 1.13 -0.71 -0.83 0.00 -0.22 -2.01 120.51 115.51 1lsu n ALA 44 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1lsu n ALA 44 Cb 0.28 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.29 0.00 -0.20 0.00 4.02 -1.13 -4.82 117.16 113.74 1lsu n TYR 45 Ca 0.00 -0.11 0.20 0.00 -0.01 0.00 0.00 57.90 57.98 1lsu n TYR 45 Cb 0.01 -0.01 0.56 0.00 -0.02 0.00 0.00 39.34 39.88 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 2.33 -0.06 -0.72 0.00 -0.88 0.28 119.26 120.20 1lsu h ALA 46 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1lsu h ALA 46 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1lsu h ALA 46 CO 0.00 -0.58 -0.68 0.66 0.00 0.00 0.00 179.25 178.64 1lsu h SER 47 N 0.31 0.33 0.95 0.00 4.64 -1.88 -3.26 113.55 114.64 1lsu h SER 47 Ca 0.43 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1lsu h SER 47 Cb 1.20 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1lsu h SER 47 CO -0.13 0.91 -1.12 1.88 -0.87 0.00 0.00 176.83 177.51 1lsu h TYR 48 N 0.20 0.00 -3.32 4.77 -1.99 -1.36 -3.46 116.97 111.80 1lsu h TYR 48 Ca -0.02 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.13 1lsu h TYR 48 Cb 1.23 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.87 1lsu h TYR 48 CO 0.03 0.40 -0.20 0.00 -0.00 0.00 0.00 178.16 178.39 1lsu s ALA 49 N -3.05 3.51 -0.14 3.88 0.00 -0.25 -4.62 121.76 121.09 1lsu s ALA 49 Ca -0.01 -0.28 0.22 0.00 0.00 0.00 0.00 51.96 51.89 1lsu s ALA 49 Cb 0.09 -2.57 1.18 0.00 0.00 0.00 0.00 23.12 21.82 1lsu s ALA 49 CO 0.79 0.02 1.65 0.00 0.00 0.00 0.00 175.76 178.22 1lsu h THR 50 N 4.73 0.00 -0.32 0.00 1.03 -1.79 -3.37 112.91 113.18 1lsu h THR 50 Ca -0.41 0.00 0.21 0.00 -0.01 0.00 0.00 66.41 66.20 1lsu h THR 50 Cb 1.17 0.48 -0.19 0.00 -1.07 0.00 0.00 68.15 68.54 1lsu h THR 50 CO 0.76 0.00 -0.01 -2.28 -0.01 0.00 0.00 175.52 173.98 1lsu s HIS 51 N -3.55 -0.58 -0.18 0.00 5.65 -1.14 -4.95 115.29 110.54 1lsu s HIS 51 Ca -0.02 0.39 -0.09 0.00 0.25 0.00 0.00 55.06 55.58 1lsu s HIS 51 Cb 0.06 0.12 -0.05 0.00 -1.18 0.00 0.00 32.58 31.53 1lsu s HIS 51 CO 0.20 -0.34 0.13 0.00 -0.65 0.00 0.00 174.74 174.08 1lsu s ALA 52 N 2.95 3.71 0.11 1.58 0.00 -1.26 -1.57 121.76 127.29 1lsu s ALA 52 Ca 0.21 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1lsu s ALA 52 Cb -0.04 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1lsu s ALA 52 CO -0.21 0.25 -0.19 0.08 0.00 0.00 0.00 175.76 175.69 1lsu s VAL 53 N 0.08 1.65 -0.36 0.00 1.01 -0.52 -4.96 120.40 117.30 1lsu s VAL 53 Ca 0.09 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 1lsu s VAL 53 Cb -0.11 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1lsu s VAL 53 CO -0.01 -0.16 0.23 -0.63 0.00 0.00 0.00 175.10 174.53 1lsu s ILE 54 N -1.43 4.95 0.33 2.22 1.01 -1.26 -2.02 121.20 125.01 1lsu s ILE 54 Ca 0.08 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 1lsu s ILE 54 Cb -0.09 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.78 1lsu s ILE 54 CO 0.04 -0.12 0.62 0.00 0.00 0.00 0.00 174.94 175.48 1lsu n ALA 55 N 5.07 -1.23 -3.78 9.38 0.00 0.15 -4.92 120.51 125.17 1lsu n ALA 55 Ca -0.12 -1.17 -0.30 0.00 0.00 0.00 0.00 53.44 51.85 1lsu n ALA 55 Cb 0.48 0.93 -0.15 0.00 0.00 0.00 0.00 19.45 20.72 1lsu n ALA 55 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1lsu s ASN 56 N -2.80 4.11 0.09 0.00 2.47 -1.26 -1.58 114.94 115.97 1lsu s ASN 56 Ca 0.16 -1.90 0.11 0.00 0.42 0.00 0.00 52.86 51.66 1lsu s ASN 56 Cb -0.03 -1.04 0.53 0.00 -1.45 0.00 0.00 41.25 39.26 1lsu s ASN 56 CO 0.12 -0.38 1.35 0.00 -3.72 0.00 0.00 177.10 174.47 1lsu n ALA 57 N 4.52 1.29 0.46 1.71 0.00 -1.26 -1.63 120.51 125.61 1lsu n ALA 57 Ca 0.01 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1lsu n ALA 57 Cb 0.41 -1.18 0.46 0.00 0.00 0.00 0.00 19.45 19.14 1lsu n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1lsu h THR 58 N 0.00 0.00 -3.63 0.00 2.02 -1.93 -3.43 112.91 105.94 1lsu h THR 58 Ca 0.00 -0.38 -0.68 0.00 0.77 0.00 0.00 66.41 66.12 1lsu h THR 58 Cb 0.12 1.24 -0.28 0.00 -1.74 0.00 0.00 68.15 67.49 1lsu h THR 58 CO 0.00 0.00 -0.63 -1.61 0.37 0.00 0.00 175.52 173.65 1lsu s GLU 59 N -3.26 2.83 0.04 6.66 0.41 -0.65 -4.84 118.70 119.89 1lsu s GLU 59 Ca 0.06 -1.03 -0.09 0.00 -0.41 0.00 0.00 54.97 53.51 1lsu s GLU 59 Cb 0.10 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.07 1lsu s GLU 59 CO 0.49 -0.54 0.55 -0.85 -0.49 0.00 0.00 175.26 174.42 1lsu n GLU 60 N 4.81 -0.12 -0.19 1.61 0.00 -1.26 -1.66 120.64 123.83 1lsu n GLU 60 Ca -0.14 0.54 -0.00 0.00 0.00 0.00 0.00 57.16 57.56 1lsu n GLU 60 Cb 0.46 -0.80 0.10 0.00 0.00 0.00 0.00 31.44 31.19 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 0.08 -0.06 -1.84 -1.07 -1.96 -1.72 115.58 109.00 1lsu h ASN 61 Ca 0.04 0.09 0.02 0.00 0.07 0.00 0.00 56.30 56.53 1lsu h ASN 61 Cb 0.11 0.11 -0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1lsu h ASN 61 CO -0.26 0.06 0.05 -0.33 0.07 0.00 0.00 177.43 177.02 1lsu h GLU 62 N 0.30 0.00 0.00 4.14 5.08 -1.61 -1.41 114.58 121.08 1lsu h GLU 62 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1lsu h GLU 62 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1lsu h GLU 62 CO -0.35 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.94 1lsu n LEU 63 N -4.32 0.00 -0.04 1.33 4.32 -0.65 -2.08 117.00 115.57 1lsu n LEU 63 Ca -0.01 0.36 -0.03 0.00 -0.02 0.00 0.00 56.01 56.30 1lsu n LEU 63 Cb 0.15 -0.36 -0.07 0.00 -1.62 0.00 0.00 43.42 41.53 1lsu n LEU 63 CO 0.32 -0.16 -0.76 0.18 -1.22 0.00 0.00 177.39 175.75 1lsu n LEU 64 N -1.36 0.00 -0.52 2.23 4.32 -0.57 -3.37 117.00 117.73 1lsu n LEU 64 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.07 1lsu n LEU 64 Cb 0.15 0.19 0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1lsu n LEU 64 CO 0.14 0.19 0.46 -1.54 -1.22 0.00 0.00 177.39 175.41 1lsu n SER 65 N -2.26 1.35 0.00 -1.43 3.41 -0.98 -1.66 113.62 112.05 1lsu n SER 65 Ca -0.12 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1lsu n SER 65 Cb 0.72 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1lsu n SER 65 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1lsu n LEU 66 N 0.02 0.00 0.00 1.04 7.94 -0.88 -5.01 117.00 120.11 1lsu n LEU 66 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1lsu n LEU 66 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1lsu n LEU 66 CO 0.05 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 1lsu n GLY 67 N 2.45 0.34 0.43 -3.96 0.00 -0.66 -4.83 105.19 98.96 1lsu n GLY 67 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.04 0.00 -0.61 2.04 -1.84 -0.26 117.51 116.88 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 0.34 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1lsu h ILE 68 CO 0.00 0.00 0.08 -1.14 0.00 0.00 0.00 178.15 177.09 1lsu n ARG 69 N -3.01 0.00 -0.01 2.37 0.63 -1.26 -2.06 116.66 113.32 1lsu n ARG 69 Ca 0.12 0.36 0.01 0.00 -0.92 0.00 0.00 57.85 57.41 1lsu n ARG 69 Cb 1.18 -1.58 0.01 0.00 0.45 0.00 0.00 32.46 32.52 1lsu n ARG 69 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1lsu n ASN 70 N -1.34 1.50 -4.58 6.15 5.03 -0.11 -4.95 115.26 116.96 1lsu n ASN 70 Ca 0.00 -1.42 -0.41 0.00 0.87 0.00 0.00 54.58 53.62 1lsu n ASN 70 Cb 0.08 -0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 38.76 1lsu n ASN 70 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1lsu s PHE 71 N -0.45 3.18 0.52 3.10 0.40 -0.87 -4.74 117.98 119.11 1lsu s PHE 71 Ca 0.02 0.45 0.25 0.00 -0.60 0.00 0.00 56.93 57.06 1lsu s PHE 71 Cb 0.01 -3.08 1.38 0.00 0.51 0.00 0.00 43.02 41.85 1lsu s PHE 71 CO 0.02 -0.56 1.98 0.93 0.70 0.00 0.00 175.22 178.28 1lsu h GLU 72 N 8.35 0.03 -3.99 0.44 4.39 -1.90 -3.40 114.58 118.49 1lsu h GLU 72 Ca -0.26 -0.00 -0.44 0.00 0.34 0.00 0.00 59.36 58.99 1lsu h GLU 72 Cb 1.11 -0.01 -0.35 0.00 -0.10 0.00 0.00 28.75 29.40 1lsu h GLU 72 CO 0.82 0.02 -0.78 0.71 -1.16 0.00 0.00 179.01 178.62 1lsu s TYR 73 N -5.04 0.87 -0.00 4.33 1.51 -1.14 -1.80 117.35 116.08 1lsu s TYR 73 Ca -0.05 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 1lsu s TYR 73 Cb 0.20 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 1lsu s TYR 73 CO 0.74 -0.28 -0.15 0.08 -1.11 0.00 0.00 175.55 174.83 1lsu s VAL 74 N 1.30 1.19 -0.18 0.71 1.01 0.00 -1.33 120.40 123.10 1lsu s VAL 74 Ca -0.05 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1lsu s VAL 74 Cb -0.14 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1lsu s VAL 74 CO -0.02 0.27 -0.13 -0.63 0.00 0.00 0.00 175.10 174.59 1lsu s ILE 75 N -0.45 1.70 -0.42 2.22 1.01 0.39 -1.27 121.20 124.39 1lsu s ILE 75 Ca 0.05 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 1lsu s ILE 75 Cb -0.06 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.75 1lsu s ILE 75 CO -0.00 0.33 0.76 -0.69 0.00 0.00 0.00 174.94 175.33 1lsu s VAL 76 N 1.40 4.71 -0.18 2.92 1.01 -0.07 -0.38 120.40 129.81 1lsu s VAL 76 Ca 0.02 0.51 0.13 0.00 0.00 0.00 0.00 61.98 62.64 1lsu s VAL 76 Cb -0.15 -4.26 0.39 0.00 0.00 0.00 0.00 36.38 32.36 1lsu s VAL 76 CO -0.10 -0.61 1.20 0.00 0.00 0.00 0.00 175.10 175.59 1lsu n ALA 77 N 6.55 3.26 -1.51 5.51 0.00 0.13 -1.24 120.51 133.21 1lsu n ALA 77 Ca 0.02 -3.06 -0.36 0.00 0.00 0.00 0.00 53.44 50.04 1lsu n ALA 77 Cb 0.48 -0.39 0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.88 2.05 0.00 0.00 1.01 -1.22 -4.56 121.20 115.61 1lsu s ILE 78 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1lsu s ILE 78 Cb 0.35 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1lsu s ILE 78 CO -0.06 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1lsu n GLY 79 N 0.74 1.17 0.00 6.18 0.00 -1.26 -4.78 105.19 107.25 1lsu n GLY 79 Ca 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.09 -3.13 4.61 0.00 -1.26 -4.15 120.51 113.67 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 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.63 6.79 0.47 0.00 3.84 -1.26 -4.85 114.94 118.29 1lsu s ASN 81 Ca 0.00 -2.54 0.15 0.00 0.21 0.00 0.00 52.86 50.68 1lsu s ASN 81 Cb 0.00 -2.31 1.08 0.00 -0.55 0.00 0.00 41.25 39.47 1lsu s ASN 81 CO 0.00 -0.77 2.04 0.40 -2.79 0.00 0.00 177.10 175.99 1lsu h ILE 82 N 5.10 1.09 0.25 -5.21 2.04 -1.95 -2.46 117.51 116.36 1lsu h ILE 82 Ca 0.16 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1lsu h ILE 82 Cb 1.00 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1lsu h ILE 82 CO 0.97 0.12 -0.12 -0.61 0.00 0.00 0.00 178.15 178.51 1lsu h GLN 83 N 0.02 -0.32 -0.76 2.37 5.75 -1.94 -2.60 115.11 117.63 1lsu h GLN 83 Ca 0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1lsu h GLN 83 Cb 0.21 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 1lsu h GLN 83 CO 0.02 0.02 0.41 0.00 -2.65 0.00 0.00 178.83 176.62 1lsu h ALA 84 N -0.09 0.97 0.40 3.38 0.00 -1.94 -0.55 119.26 121.43 1lsu h ALA 84 Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1lsu h ALA 84 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1lsu h ALA 84 CO 0.06 0.49 -0.38 1.03 0.00 0.00 0.00 179.25 180.45 1lsu h SER 85 N 1.05 -1.02 -0.43 0.00 0.87 -1.49 0.13 113.55 112.67 1lsu h SER 85 Ca 0.27 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1lsu h SER 85 Cb 0.05 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1lsu h SER 85 CO -0.04 -0.53 0.28 0.71 -0.53 0.00 0.00 176.83 176.72 1lsu h THR 86 N -0.79 1.11 -0.54 2.23 1.35 -1.32 0.07 112.91 115.02 1lsu h THR 86 Ca -0.03 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.59 1lsu h THR 86 Cb 0.70 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 1lsu h THR 86 CO -0.05 0.11 0.23 0.25 -0.25 0.00 0.00 175.52 175.80 1lsu h LEU 87 N 0.58 0.74 0.79 3.87 5.85 -1.03 -0.85 115.31 125.27 1lsu h LEU 87 Ca 0.16 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1lsu h LEU 87 Cb -0.06 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.78 1lsu h LEU 87 CO -0.03 0.70 -0.39 0.74 -0.34 0.00 0.00 178.44 179.12 1lsu h THR 88 N 0.74 0.21 -0.01 1.05 2.02 -0.69 0.64 112.91 116.86 1lsu h THR 88 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1lsu h THR 88 Cb 0.18 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1lsu h THR 88 CO -0.02 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.91 1lsu h THR 89 N -1.07 0.19 0.20 3.16 1.03 -0.94 0.24 112.91 115.71 1lsu h THR 89 Ca -0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 65.95 1lsu h THR 89 Cb 0.82 0.96 0.02 0.00 -1.07 0.00 0.00 68.15 68.89 1lsu h THR 89 CO 0.17 0.00 -1.63 0.25 -0.01 0.00 0.00 175.52 174.30 1lsu h LEU 90 N 0.00 0.67 0.46 0.00 5.85 -0.50 -2.03 115.31 119.76 1lsu h LEU 90 Ca 0.01 -0.93 -0.02 0.00 0.84 0.00 0.00 57.88 57.77 1lsu h LEU 90 Cb 0.08 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1lsu h LEU 90 CO -0.00 1.75 -0.22 -0.07 -0.34 0.00 0.00 178.44 179.56 1lsu h LEU 91 N 0.08 -0.52 -2.30 2.25 3.38 0.18 -2.97 115.31 115.41 1lsu h LEU 91 Ca -0.31 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1lsu h LEU 91 Cb 2.09 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.97 1lsu h LEU 91 CO 0.20 -0.32 -0.03 0.17 0.09 0.00 0.00 178.44 178.55 1lsu h LEU 92 N -0.71 0.00 -0.95 1.67 8.10 -0.77 -0.74 115.31 121.90 1lsu h LEU 92 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 1lsu h LEU 92 Cb 0.47 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.66 1lsu h LEU 92 CO 0.10 0.03 0.23 0.50 -4.11 0.00 0.00 178.44 175.19 1lsu h LYS 93 N 0.00 0.99 0.00 0.17 1.63 -1.34 -1.92 116.57 116.10 1lsu h LYS 93 Ca -0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1lsu h LYS 93 Cb 0.22 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1lsu h LYS 93 CO 0.00 0.83 0.00 -0.85 -3.45 0.00 0.00 179.45 175.99 1lsu n GLU 94 N -4.28 0.18 0.00 1.90 0.28 -0.30 -2.49 120.64 115.93 1lsu n GLU 94 Ca 0.05 0.21 0.14 0.00 -0.16 0.00 0.00 57.16 57.40 1lsu n GLU 94 Cb 0.20 -1.73 0.81 0.00 1.43 0.00 0.00 31.44 32.15 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 -2.05 0.00 -0.50 -1.84 4.77 -0.72 -4.89 117.00 111.77 1lsu n LEU 95 Ca 0.05 0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 1lsu n LEU 95 Cb 0.36 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1lsu n LEU 95 CO 0.27 -0.01 -0.06 0.47 -1.33 0.00 0.00 177.39 176.73 1lsu n ASP 96 N -1.09 -2.83 -4.65 -1.43 9.92 -1.04 -4.93 116.55 110.49 1lsu n ASP 96 Ca 0.19 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 54.08 1lsu n ASP 96 Cb 0.14 -1.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.01 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 -2.23 3.41 0.23 0.53 1.01 -1.23 -4.89 121.20 118.04 1lsu s ILE 97 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 1lsu s ILE 97 Cb 0.00 -3.34 0.22 0.00 0.01 0.00 0.00 42.46 39.35 1lsu s ILE 97 CO 0.00 -0.07 1.69 -0.65 0.00 0.00 0.00 174.94 175.91 1lsu h PRO 98 N 10.20 0.26 -4.12 2.79 0.11 -1.83 -3.39 132.00 136.03 1lsu h PRO 98 Ca -0.42 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 1lsu h PRO 98 Cb 1.19 -0.06 -0.38 0.00 0.11 0.00 0.00 31.00 31.86 1lsu h PRO 98 CO 0.96 0.17 -0.79 -0.80 -0.21 0.00 0.00 178.00 177.33 1lsu s ASN 99 N -5.26 3.08 -0.26 -2.05 -0.87 -0.74 -4.96 114.94 103.87 1lsu s ASN 99 Ca -0.13 -0.80 0.01 0.00 -1.57 0.00 0.00 52.86 50.37 1lsu s ASN 99 Cb 0.20 -0.93 0.07 0.00 -0.02 0.00 0.00 41.25 40.57 1lsu s ASN 99 CO 0.75 -0.21 -0.04 -0.51 -2.57 0.00 0.00 177.10 174.52 1lsu s ILE 100 N 1.61 1.70 -0.15 0.60 2.07 -1.26 -0.82 121.20 124.96 1lsu s ILE 100 Ca -0.01 -1.48 -0.08 0.00 -1.41 0.00 0.00 60.65 57.67 1lsu s ILE 100 Cb -0.16 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.38 1lsu s ILE 100 CO -0.07 -0.21 0.14 0.26 -1.91 0.00 0.00 174.94 173.15 1lsu s TRP 101 N 1.29 3.53 -0.03 3.50 0.52 -0.39 -1.51 118.94 125.84 1lsu s TRP 101 Ca -0.03 0.47 0.02 0.00 0.02 0.00 0.00 56.10 56.58 1lsu s TRP 101 Cb -0.19 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.10 1lsu s TRP 101 CO -0.08 0.56 -0.08 0.08 0.02 0.00 0.00 176.95 177.45 1lsu s VAL 102 N -0.49 0.77 0.60 4.03 1.01 -0.16 -0.90 120.40 125.26 1lsu s VAL 102 Ca 0.13 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1lsu s VAL 102 Cb -0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1lsu s VAL 102 CO 0.02 0.25 1.05 -0.75 0.00 0.00 0.00 175.10 175.68 1lsu s LYS 103 N 0.38 3.30 0.04 2.72 2.20 -0.37 -0.92 119.74 127.08 1lsu s LYS 103 Ca -0.06 1.17 -0.04 0.00 -0.36 0.00 0.00 55.97 56.68 1lsu s LYS 103 Cb -0.10 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.17 1lsu s LYS 103 CO 0.01 -0.82 0.06 0.00 -0.36 0.00 0.00 175.35 174.23 1lsu s ALA 104 N -2.52 0.04 0.00 3.13 0.00 0.11 -4.73 121.76 117.79 1lsu s ALA 104 Ca 0.63 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1lsu s ALA 104 Cb -0.16 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1lsu s ALA 104 CO 0.39 -0.30 0.11 0.94 0.00 0.00 0.00 175.76 176.89 1lsu n GLN 105 N 0.78 0.77 -4.37 0.00 -0.06 -1.26 -4.53 117.38 108.70 1lsu n GLN 105 Ca -0.19 -0.11 -0.28 0.00 -2.00 0.00 0.00 57.00 54.43 1lsu n GLN 105 Cb 0.58 -0.48 -0.13 0.00 -4.06 0.00 0.00 30.24 26.15 1lsu n GLN 105 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1lsu s ASN 106 N -0.14 3.09 0.17 1.69 -0.87 -1.26 -4.96 114.94 112.66 1lsu s ASN 106 Ca 0.00 -0.73 -0.10 0.00 -1.57 0.00 0.00 52.86 50.46 1lsu s ASN 106 Cb 0.00 -0.20 0.04 0.00 -0.02 0.00 0.00 41.25 41.07 1lsu s ASN 106 CO 0.00 0.15 1.61 0.22 -2.57 0.00 0.00 177.10 176.50 1lsu h TYR 107 N 3.96 1.14 0.85 2.20 3.20 -1.98 0.26 116.97 126.60 1lsu h TYR 107 Ca -0.49 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.11 1lsu h TYR 107 Cb 1.17 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 39.16 1lsu h TYR 107 CO 0.60 1.04 -0.43 1.88 -1.64 0.00 0.00 178.16 179.62 1lsu h TYR 108 N 0.91 -1.11 -0.62 -3.82 -1.99 -1.99 -0.44 116.97 107.92 1lsu h TYR 108 Ca 0.15 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.97 1lsu h TYR 108 Cb 0.63 0.37 -0.12 0.00 2.00 0.00 0.00 36.73 39.62 1lsu h TYR 108 CO 0.04 -0.68 -0.25 1.25 -0.00 0.00 0.00 178.16 178.52 1lsu h HIS 109 N -1.17 -0.65 -0.23 4.88 2.76 -1.90 -0.18 115.15 118.66 1lsu h HIS 109 Ca -0.12 0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1lsu h HIS 109 Cb 0.90 0.38 -0.07 0.00 1.55 0.00 0.00 27.41 30.17 1lsu h HIS 109 CO 0.01 -0.34 -0.22 1.25 -1.30 0.00 0.00 177.93 177.34 1lsu h HIS 110 N -0.09 -0.57 -0.79 5.26 -0.00 -0.32 0.14 115.15 118.78 1lsu h HIS 110 Ca 0.27 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.74 1lsu h HIS 110 Cb 0.52 0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 28.17 1lsu h HIS 110 CO -0.59 -0.29 0.52 0.87 -0.00 0.00 0.00 177.93 178.44 1lsu h LYS 111 N -0.23 0.84 -0.02 5.26 1.57 0.62 0.92 116.57 125.53 1lsu h LYS 111 Ca 0.13 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1lsu h LYS 111 Cb 0.43 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1lsu h LYS 111 CO -0.36 0.55 -0.18 -0.39 -0.57 0.00 0.00 179.45 178.51 1lsu h VAL 112 N 0.86 1.52 -0.77 0.50 -1.51 -0.51 -2.56 116.25 113.79 1lsu h VAL 112 Ca 0.34 -1.79 0.09 0.00 -1.23 0.00 0.00 66.70 64.11 1lsu h VAL 112 Cb 0.22 2.64 -0.07 0.00 -2.13 0.00 0.00 31.29 31.94 1lsu h VAL 112 CO -0.11 0.49 0.41 -0.07 -1.23 0.00 0.00 177.57 177.05 1lsu h LEU 113 N -0.49 0.56 -0.01 4.19 3.38 -0.31 0.63 115.31 123.26 1lsu h LEU 113 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1lsu h LEU 113 Cb 0.89 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1lsu h LEU 113 CO 0.04 0.32 -0.07 -0.08 0.09 0.00 0.00 178.44 178.74 1lsu h GLU 114 N 0.69 -0.07 0.00 1.13 4.81 0.88 -2.40 114.58 119.62 1lsu h GLU 114 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1lsu h GLU 114 Cb 0.37 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1lsu h GLU 114 CO -0.26 -0.05 0.00 0.36 -0.73 0.00 0.00 179.01 178.33 1lsu n LYS 115 N -2.91 0.06 0.11 1.92 2.85 -0.68 -2.15 118.16 117.35 1lsu n LYS 115 Ca -0.01 0.32 -0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1lsu n LYS 115 Cb 0.05 -1.62 0.07 0.00 -0.65 0.00 0.00 35.03 32.87 1lsu n LYS 115 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1lsu h ILE 116 N 0.00 1.53 0.00 0.58 2.04 0.70 -3.47 117.51 118.88 1lsu h ILE 116 Ca 0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1lsu h ILE 116 Cb 0.26 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1lsu h ILE 116 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.50 1lsu n GLY 117 N 0.67 1.51 3.73 5.37 0.00 -0.92 -5.01 105.19 110.54 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 3.26 0.24 4.61 0.00 -0.95 -4.91 121.76 122.02 1lsu s ALA 118 Ca 0.00 0.61 0.13 0.00 0.00 0.00 0.00 51.96 52.70 1lsu s ALA 118 Cb 0.00 -3.29 0.49 0.00 0.00 0.00 0.00 23.12 20.32 1lsu s ALA 118 CO 0.00 -0.04 1.67 -0.44 0.00 0.00 0.00 175.76 176.95 1lsu h ASP 119 N 5.46 0.00 -3.36 0.00 3.32 -1.63 -3.45 116.42 116.77 1lsu h ASP 119 Ca -0.43 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 1lsu h ASP 119 Cb 1.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 1lsu h ASP 119 CO 0.72 0.52 -0.22 -0.60 -1.72 0.00 0.00 179.24 177.94 1lsu s ARG 120 N -3.65 0.48 -0.12 3.56 3.52 -1.24 -5.01 118.95 116.49 1lsu s ARG 120 Ca -0.01 0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 56.39 1lsu s ARG 120 Cb 0.12 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 1lsu s ARG 120 CO 0.73 -0.13 -0.02 0.42 -0.81 0.00 0.00 175.30 175.49 1lsu s ILE 121 N 1.15 4.04 -0.15 4.11 -1.09 -1.26 -0.98 121.20 127.02 1lsu s ILE 121 Ca -0.07 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1lsu s ILE 121 Cb -0.07 -2.74 -0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1lsu s ILE 121 CO -0.11 0.54 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.36 1lsu s ILE 122 N -0.16 2.68 -0.73 2.92 1.01 -0.10 -4.95 121.20 121.87 1lsu s ILE 122 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1lsu s ILE 122 Cb -0.13 -2.12 0.18 0.00 0.01 0.00 0.00 42.46 40.40 1lsu s ILE 122 CO 0.02 0.52 0.54 -1.00 0.00 0.00 0.00 174.94 175.02 1lsu s HIS 123 N 0.75 3.61 0.34 3.97 3.76 -1.26 -0.71 115.29 125.75 1lsu s HIS 123 Ca -0.06 -3.23 0.15 0.00 -0.15 0.00 0.00 55.06 51.77 1lsu s HIS 123 Cb -0.15 -2.87 1.13 0.00 1.11 0.00 0.00 32.58 31.79 1lsu s HIS 123 CO 0.01 -0.62 1.62 -1.00 -0.85 0.00 0.00 174.74 173.89 1lsu h PRO 124 N 5.72 0.14 0.27 8.40 0.13 -1.96 0.33 132.00 145.03 1lsu h PRO 124 Ca 0.12 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1lsu h PRO 124 Cb 0.79 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1lsu h PRO 124 CO 0.75 0.09 -0.13 1.49 -0.23 0.00 0.00 178.00 179.97 1lsu h GLU 125 N 0.15 -0.35 -0.28 0.86 4.57 -1.96 -1.25 114.58 116.32 1lsu h GLU 125 Ca 0.75 0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 58.78 1lsu h GLU 125 Cb 1.82 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 1lsu h GLU 125 CO -0.71 -0.06 -0.53 1.57 -1.18 0.00 0.00 179.01 178.10 1lsu h LYS 126 N -0.64 0.85 -0.07 1.92 -0.00 -1.76 -2.81 116.57 114.05 1lsu h LYS 126 Ca -0.04 -0.54 -0.00 0.00 -0.00 0.00 0.00 60.65 60.07 1lsu h LYS 126 Cb 0.46 0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 32.75 1lsu h LYS 126 CO 0.06 1.17 0.04 -0.44 -0.00 0.00 0.00 179.45 180.28 1lsu h ASP 127 N 0.62 0.09 -0.62 7.07 3.32 -0.45 -0.87 116.42 125.58 1lsu h ASP 127 Ca 0.01 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.02 1lsu h ASP 127 Cb 1.14 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1lsu h ASP 127 CO 0.12 0.16 0.41 -0.03 -1.72 0.00 0.00 179.24 178.18 1lsu h MET 128 N 0.01 0.58 0.63 3.56 4.05 -1.30 0.61 114.93 123.08 1lsu h MET 128 Ca 0.03 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1lsu h MET 128 Cb 0.10 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1lsu h MET 128 CO -0.00 0.39 -0.49 0.78 0.23 0.00 0.00 176.91 177.81 1lsu h GLY 129 N 0.60 -1.27 1.08 1.39 0.00 -0.96 0.06 103.07 103.99 1lsu h GLY 129 Ca 0.27 0.56 0.06 0.00 0.00 0.00 0.00 47.33 48.21 1lsu h GLY 129 CO -0.08 -0.41 0.46 -0.39 0.00 0.00 0.00 176.54 176.12 1lsu h VAL 130 N -1.08 1.02 -0.19 4.60 -1.51 -0.34 -0.47 116.25 118.28 1lsu h VAL 130 Ca -0.08 -0.25 -0.07 0.00 -1.23 0.00 0.00 66.70 65.07 1lsu h VAL 130 Cb 0.90 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 1lsu h VAL 130 CO 0.02 0.13 -0.20 0.50 -1.23 0.00 0.00 177.57 176.79 1lsu h LYS 131 N 0.72 0.32 0.15 5.19 3.64 -0.38 -0.76 116.57 125.45 1lsu h LYS 131 Ca 0.30 -0.10 -0.30 0.00 -1.27 0.00 0.00 60.65 59.28 1lsu h LYS 131 Cb 0.25 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1lsu h LYS 131 CO -0.10 0.51 -1.26 0.82 -2.27 0.00 0.00 179.45 177.16 1lsu h ILE 132 N 0.30 1.30 -0.90 2.00 5.03 0.38 -1.39 117.51 124.22 1lsu h ILE 132 Ca 0.05 -2.50 0.12 0.00 -0.12 0.00 0.00 64.86 62.41 1lsu h ILE 132 Cb 0.52 2.79 -0.08 0.00 -3.03 0.00 0.00 36.82 37.02 1lsu h ILE 132 CO 0.03 0.75 0.52 0.00 -0.68 0.00 0.00 178.15 178.78 1lsu h ALA 133 N 0.25 1.33 0.37 1.87 0.00 -1.00 0.64 119.26 122.72 1lsu h ALA 133 Ca -0.20 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1lsu h ALA 133 Cb 1.94 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1lsu h ALA 133 CO 0.24 0.08 -0.18 1.96 0.00 0.00 0.00 179.25 181.35 1lsu h GLN 134 N 0.81 -0.48 -0.78 0.00 4.20 -1.04 -1.91 115.11 115.91 1lsu h GLN 134 Ca 0.45 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.37 1lsu h GLN 134 Cb 0.50 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 1lsu h GLN 134 CO -0.29 -0.28 0.52 0.77 -0.67 0.00 0.00 178.83 178.88 1lsu h SER 135 N -0.56 0.34 0.46 1.46 0.02 0.09 -1.40 113.55 113.96 1lsu h SER 135 Ca -0.05 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1lsu h SER 135 Cb 0.42 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1lsu h SER 135 CO 0.08 0.17 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.65 1lsu h LEU 136 N 0.36 -0.52 -0.24 5.07 3.38 0.73 -2.30 115.31 121.78 1lsu h LEU 136 Ca 0.39 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1lsu h LEU 136 Cb 0.98 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1lsu h LEU 136 CO -0.12 -0.21 -0.17 0.28 0.09 0.00 0.00 178.44 178.31 1lsu h SER 137 N -0.85 -0.56 -0.67 -0.43 0.02 -0.72 -2.02 113.55 108.32 1lsu h SER 137 Ca -0.06 0.12 0.13 0.00 -0.84 0.00 0.00 61.79 61.14 1lsu h SER 137 Cb 0.57 0.29 -0.13 0.00 0.14 0.00 0.00 62.40 63.27 1lsu h SER 137 CO 0.10 -0.21 -0.20 0.44 -1.14 0.00 0.00 176.83 175.82 1lsu h ASP 138 N -0.16 -0.72 0.00 3.07 5.19 -1.28 -2.07 116.42 120.45 1lsu h ASP 138 Ca 0.14 0.21 -0.53 0.00 -0.62 0.00 0.00 57.03 56.23 1lsu h ASP 138 Cb 0.37 0.45 0.02 0.00 0.18 0.00 0.00 39.33 40.35 1lsu h ASP 138 CO -0.34 -0.24 3.07 -0.62 -3.12 0.00 0.00 179.24 177.98 1lsu n GLU 139 N -5.46 2.66 -0.92 3.56 1.02 -0.76 -5.11 120.64 115.63 1lsu n GLU 139 Ca 0.08 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 1lsu n GLU 139 Cb 0.35 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 1lsu n GLU 139 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40