#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr s LYS 2 N 0.00 3.91 0.03 2.12 -0.14 -1.26 -4.86 119.74 119.54 1uqr s LYS 2 Ca 0.00 1.57 0.08 0.00 -1.36 0.00 0.00 55.97 56.26 1uqr s LYS 2 Cb 0.00 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.75 1uqr s LYS 2 CO 0.00 -0.37 -0.23 0.21 -0.76 0.00 0.00 175.35 174.19 1uqr s LYS 3 N -2.76 1.65 -0.02 1.68 2.20 -1.26 -1.94 119.74 119.29 1uqr s LYS 3 Ca 0.62 -0.98 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 1uqr s LYS 3 Cb -0.23 -1.75 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1uqr s LYS 3 CO 0.28 0.46 -0.24 0.42 -0.36 0.00 0.00 175.35 175.91 1uqr s ILE 4 N -0.74 1.90 -0.17 5.43 1.01 0.09 -1.13 121.20 127.59 1uqr s ILE 4 Ca 0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1uqr s ILE 4 Cb -0.09 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 1uqr s ILE 4 CO 0.01 0.54 -0.12 -0.22 0.00 0.00 0.00 174.94 175.15 1uqr s LEU 5 N -0.50 2.62 -0.26 2.97 2.96 -0.24 -1.09 118.68 125.14 1uqr s LEU 5 Ca 0.07 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1uqr s LEU 5 Cb -0.10 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1uqr s LEU 5 CO -0.00 0.06 0.22 -0.22 -1.32 0.00 0.00 176.35 175.09 1uqr s LEU 6 N 0.98 4.06 -0.06 -0.68 2.96 0.44 -1.02 118.68 125.37 1uqr s LEU 6 Ca -0.02 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1uqr s LEU 6 Cb -0.15 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1uqr s LEU 6 CO -0.02 -0.04 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.99 1uqr s LEU 7 N 1.59 2.21 -0.04 -0.68 1.43 0.80 -1.29 118.68 122.70 1uqr s LEU 7 Ca 0.09 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1uqr s LEU 7 Cb -0.15 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1uqr s LEU 7 CO 0.09 0.27 -0.13 0.20 0.23 0.00 0.00 176.35 177.00 1uqr s ASN 8 N -0.28 1.71 0.17 2.29 0.01 -0.42 -1.18 114.94 117.24 1uqr s ASN 8 Ca 0.00 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1uqr s ASN 8 Cb -0.13 -0.53 0.00 0.00 0.41 0.00 0.00 41.25 41.00 1uqr s ASN 8 CO 0.03 0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.32 1uqr n GLY 9 N 3.33 0.31 3.63 0.66 0.00 0.18 -2.64 105.19 110.67 1uqr n GLY 9 Ca -0.19 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 1uqr n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uqr n PRO 10 N -0.30 1.65 -0.36 1.61 -0.04 -1.08 -2.80 135.00 133.67 1uqr n PRO 10 Ca 0.00 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1uqr n PRO 10 Cb 0.00 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1uqr n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uqr n ASN 11 N 1.35 0.00 0.28 3.54 3.02 -1.26 -4.49 115.26 117.69 1uqr n ASN 11 Ca 0.09 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.80 1uqr n ASN 11 Cb 0.32 -0.88 0.78 0.00 -0.61 0.00 0.00 39.78 39.39 1uqr n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uqr h LEU 12 N 0.00 0.00 -0.73 3.41 -0.00 -1.89 -1.70 115.31 114.39 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1uqr h LEU 12 CO 0.00 0.08 0.00 -0.46 -0.00 0.00 0.00 178.44 178.06 1uqr n ASN 13 N -3.38 0.57 -0.25 -0.43 6.94 -1.26 -2.19 115.26 115.27 1uqr n ASN 13 Ca -0.01 0.66 0.14 0.00 -0.02 0.00 0.00 54.58 55.35 1uqr n ASN 13 Cb 0.25 -0.78 0.64 0.00 -2.36 0.00 0.00 39.78 37.53 1uqr n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1uqr n MET 14 N -2.16 1.17 -1.68 -3.83 2.81 -0.64 -4.79 117.12 108.01 1uqr n MET 14 Ca 0.02 -0.50 -0.45 0.00 -1.81 0.00 0.00 57.70 54.96 1uqr n MET 14 Cb 0.19 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 1uqr n MET 14 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1uqr n LEU 15 N -0.48 3.38 0.00 4.03 4.77 -0.93 -1.66 117.00 126.11 1uqr n LEU 15 Ca 0.18 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 1uqr n LEU 15 Cb 0.27 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1uqr n LEU 15 CO 0.20 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1uqr n GLY 16 N 3.60 0.46 0.53 -0.72 0.00 -1.21 -4.06 105.19 103.79 1uqr n GLY 16 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1uqr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uqr n LYS 17 N -1.96 1.55 -0.06 1.61 4.76 -0.67 -4.70 118.16 118.69 1uqr n LYS 17 Ca 0.00 -1.17 -0.02 0.00 -2.87 0.00 0.00 58.31 54.25 1uqr n LYS 17 Cb 0.10 -1.31 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 1uqr n LYS 17 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1uqr n ARG 18 N 0.41 0.85 -0.11 1.97 1.74 -1.26 -5.15 116.66 115.11 1uqr n ARG 18 Ca 0.08 -0.07 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1uqr n ARG 18 Cb 0.39 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 1uqr n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uqr n SER 25 N -2.50 1.84 -4.73 0.55 2.88 -1.26 -5.18 113.62 105.23 1uqr n SER 25 Ca -0.20 0.15 -0.42 0.00 -1.33 0.00 0.00 58.87 57.07 1uqr n SER 25 Cb 0.88 -0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 1uqr n SER 25 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1uqr n GLN 26 N -3.74 2.57 -3.72 -1.46 7.27 -1.26 -4.73 117.38 112.31 1uqr n GLN 26 Ca -0.43 0.91 -0.25 0.00 0.07 0.00 0.00 57.00 57.30 1uqr n GLN 26 Cb 0.85 -2.67 0.01 0.00 2.41 0.00 0.00 30.24 30.84 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1uqr s THR 27 N -0.05 1.66 0.16 1.69 -4.23 -1.26 -3.31 115.64 110.31 1uqr s THR 27 Ca 0.64 -1.39 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1uqr s THR 27 Cb -0.53 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1uqr s THR 27 CO 0.49 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.45 1uqr h LEU 28 N 0.59 0.92 -0.75 4.79 5.85 -1.80 -2.86 115.31 122.05 1uqr h LEU 28 Ca -0.35 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.17 1uqr h LEU 28 Cb 1.30 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1uqr h LEU 28 CO 0.53 0.98 0.41 -1.28 -0.34 0.00 0.00 178.44 178.74 1uqr h SER 29 N 0.83 0.57 -0.95 1.25 0.87 -1.93 0.18 113.55 114.37 1uqr h SER 29 Ca 0.16 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1uqr h SER 29 Cb 0.49 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 1uqr h SER 29 CO 0.02 0.34 0.62 0.44 -0.53 0.00 0.00 176.83 177.72 1uqr h ASP 30 N 0.70 1.09 -0.24 6.23 3.32 -1.90 -0.13 116.42 125.49 1uqr h ASP 30 Ca 0.36 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.26 1uqr h ASP 30 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1uqr h ASP 30 CO -0.24 0.79 -0.31 0.40 -1.72 0.00 0.00 179.24 178.16 1uqr h ILE 31 N 1.28 1.32 -0.15 0.35 2.04 -1.10 -1.32 117.51 119.94 1uqr h ILE 31 Ca 0.35 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 1uqr h ILE 31 Cb -0.14 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1uqr h ILE 31 CO -0.07 0.47 0.08 -0.33 0.00 0.00 0.00 178.15 178.30 1uqr h GLU 32 N 0.33 0.21 -0.59 2.37 5.08 -0.63 -1.31 114.58 120.04 1uqr h GLU 32 Ca 0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1uqr h GLU 32 Cb 0.88 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1uqr h GLU 32 CO 0.07 0.22 0.16 1.96 -1.00 0.00 0.00 179.01 180.43 1uqr h GLN 33 N 0.14 0.93 -0.42 2.33 1.08 -1.06 -1.53 115.11 116.58 1uqr h GLN 33 Ca 0.05 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1uqr h GLN 33 Cb 0.07 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1uqr h GLN 33 CO -0.01 0.85 0.23 1.25 -0.95 0.00 0.00 178.83 180.19 1uqr h HIS 34 N 0.84 0.57 -0.48 2.96 2.76 -1.09 -0.93 115.15 119.79 1uqr h HIS 34 Ca 0.19 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 1uqr h HIS 34 Cb 0.32 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1uqr h HIS 34 CO 0.02 0.44 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.93 1uqr h LEU 35 N 0.54 0.91 -0.31 0.26 4.07 -1.14 -1.57 115.31 118.08 1uqr h LEU 35 Ca 0.15 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 1uqr h LEU 35 Cb 0.06 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1uqr h LEU 35 CO -0.02 1.05 0.12 -0.61 -1.08 0.00 0.00 178.44 177.90 1uqr h GLN 36 N 0.76 0.47 -0.42 1.13 4.15 -1.12 -0.97 115.11 119.10 1uqr h GLN 36 Ca 0.12 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1uqr h GLN 36 Cb 0.64 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1uqr h GLN 36 CO 0.04 0.48 0.25 1.96 -1.93 0.00 0.00 178.83 179.63 1uqr h GLN 37 N 0.36 0.58 -0.90 1.69 4.20 -1.12 -1.09 115.11 118.83 1uqr h GLN 37 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1uqr h GLN 37 Cb 0.18 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1uqr h GLN 37 CO -0.01 0.44 0.50 1.03 -0.67 0.00 0.00 178.83 180.12 1uqr h SER 38 N 0.56 1.11 -0.16 1.46 0.87 -1.11 -1.11 113.55 115.17 1uqr h SER 38 Ca 0.15 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1uqr h SER 38 Cb 0.01 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1uqr h SER 38 CO -0.03 0.88 -0.06 0.00 -0.53 0.00 0.00 176.83 177.09 1uqr h ALA 39 N 1.27 0.22 -0.49 6.23 0.00 -0.89 -2.95 119.26 122.66 1uqr h ALA 39 Ca 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1uqr h ALA 39 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1uqr h ALA 39 CO -0.05 0.01 0.17 1.96 0.00 0.00 0.00 179.25 181.33 1uqr h GLN 40 N 0.01 0.71 0.00 0.00 4.20 -0.85 -0.22 115.11 118.97 1uqr h GLN 40 Ca 0.04 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1uqr h GLN 40 Cb 0.51 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1uqr h GLN 40 CO 0.02 0.61 -0.16 0.00 -0.67 0.00 0.00 178.83 178.63 1uqr h ALA 41 N 1.49 1.46 -0.43 3.87 0.00 -1.14 -1.77 119.26 122.73 1uqr h ALA 41 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uqr h ALA 41 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1uqr h ALA 41 CO -0.01 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.48 1uqr n GLN 42 N -3.95 2.14 -0.95 0.00 6.02 -0.54 -4.91 117.38 115.18 1uqr n GLN 42 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 1uqr n GLN 42 Cb 0.25 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uqr n GLY 43 N 1.30 0.63 3.38 1.08 0.00 -0.66 -5.07 105.19 105.84 1uqr n GLY 43 Ca 0.17 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1uqr n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uqr s TYR 44 N -2.00 2.15 -0.11 1.61 2.02 -0.20 -3.88 117.35 116.93 1uqr s TYR 44 Ca 0.00 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 1uqr s TYR 44 Cb 0.00 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 1uqr s TYR 44 CO 0.00 0.40 0.14 -2.00 -1.57 0.00 0.00 175.55 172.52 1uqr s GLU 45 N -2.47 3.42 -0.05 -0.62 2.12 -0.82 -2.42 118.70 117.86 1uqr s GLU 45 Ca 0.17 -0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.31 1uqr s GLU 45 Cb -0.08 -3.16 0.04 0.00 0.26 0.00 0.00 34.13 31.18 1uqr s GLU 45 CO 0.08 0.77 0.10 -1.17 -0.54 0.00 0.00 175.26 174.49 1uqr s LEU 46 N -1.12 0.48 0.18 2.70 0.20 -1.26 -0.73 118.68 119.13 1uqr s LEU 46 Ca 0.16 0.18 0.06 0.00 0.69 0.00 0.00 54.13 55.22 1uqr s LEU 46 Cb -0.12 0.10 -0.04 0.00 -0.43 0.00 0.00 46.19 45.70 1uqr s LEU 46 CO 0.05 -0.19 0.12 -1.81 -0.29 0.00 0.00 176.35 174.23 1uqr s ASP 47 N 1.66 5.38 0.05 3.68 1.01 -0.25 -4.87 116.67 123.33 1uqr s ASP 47 Ca -0.03 -0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.04 1uqr s ASP 47 Cb -0.12 -1.35 -0.03 0.00 1.01 0.00 0.00 42.92 42.42 1uqr s ASP 47 CO -0.04 0.06 -0.05 -0.72 0.21 0.00 0.00 175.17 174.62 1uqr s TYR 48 N -1.81 0.58 -0.10 4.23 1.13 -1.26 -0.42 117.35 119.71 1uqr s TYR 48 Ca 0.31 -0.76 -0.30 0.00 -1.41 0.00 0.00 57.07 54.91 1uqr s TYR 48 Cb -0.10 -0.37 0.07 0.00 -1.10 0.00 0.00 41.96 40.46 1uqr s TYR 48 CO 0.23 -0.21 0.68 0.12 -2.51 0.00 0.00 175.55 173.87 1uqr s PHE 49 N -2.61 -0.68 -0.05 -3.49 5.36 -0.41 -4.94 117.98 111.15 1uqr s PHE 49 Ca -0.02 1.29 -0.07 0.00 -0.96 0.00 0.00 56.93 57.17 1uqr s PHE 49 Cb -0.02 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.06 1uqr s PHE 49 CO -0.04 -0.56 0.17 -1.14 -1.46 0.00 0.00 175.22 172.19 1uqr s GLN 50 N -0.87 0.29 0.16 10.12 -0.44 -1.26 -1.31 119.66 126.35 1uqr s GLN 50 Ca -0.09 0.07 -0.23 0.00 -2.50 0.00 0.00 55.36 52.61 1uqr s GLN 50 Cb -0.01 0.13 0.07 0.00 -1.64 0.00 0.00 33.01 31.56 1uqr s GLN 50 CO 0.08 -0.05 0.60 0.00 0.50 0.00 0.00 175.29 176.42 1uqr s ALA 51 N -0.32 -1.60 -0.61 1.58 0.00 -1.08 -5.00 121.76 114.73 1uqr s ALA 51 Ca -0.04 0.51 0.16 0.00 0.00 0.00 0.00 51.96 52.59 1uqr s ALA 51 Cb -0.03 0.87 0.68 0.00 0.00 0.00 0.00 23.12 24.65 1uqr s ALA 51 CO 0.01 -0.76 1.60 0.09 0.00 0.00 0.00 175.76 176.69 1uqr n ASN 52 N -0.36 4.77 -3.96 0.00 3.02 -1.26 -2.64 115.26 114.83 1uqr n ASN 52 Ca -0.17 -2.70 -0.09 0.00 -0.03 0.00 0.00 54.58 51.59 1uqr n ASN 52 Cb 0.65 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 1uqr n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uqr s GLY 53 N -1.11 0.24 0.17 7.41 0.00 -1.26 -4.75 107.32 108.01 1uqr s GLY 53 Ca 0.48 -0.70 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1uqr s GLY 53 CO 0.18 -0.83 1.68 0.83 0.00 0.00 0.00 173.10 174.96 1uqr h GLU 54 N 3.59 0.90 -0.20 2.90 5.08 -1.99 -2.62 114.58 122.23 1uqr h GLU 54 Ca -0.33 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1uqr h GLU 54 Cb 1.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1uqr h GLU 54 CO 0.53 0.83 0.08 1.49 -1.00 0.00 0.00 179.01 180.94 1uqr h GLU 55 N 0.80 0.17 -0.36 2.33 4.81 -1.98 0.17 114.58 120.52 1uqr h GLU 55 Ca 0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1uqr h GLU 55 Cb 0.32 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1uqr h GLU 55 CO -0.00 0.12 0.23 0.77 -0.73 0.00 0.00 179.01 179.40 1uqr h SER 56 N 0.18 0.42 -0.35 1.04 0.02 -1.98 -0.32 113.55 112.56 1uqr h SER 56 Ca 0.08 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1uqr h SER 56 Cb 0.04 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1uqr h SER 56 CO -0.08 0.32 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.86 1uqr h LEU 57 N 0.48 0.62 -0.74 5.07 3.38 -1.24 -2.26 115.31 120.62 1uqr h LEU 57 Ca 0.13 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1uqr h LEU 57 Cb -0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1uqr h LEU 57 CO -0.03 0.78 0.27 0.40 0.09 0.00 0.00 178.44 179.95 1uqr h ILE 58 N 0.44 1.26 -0.78 1.22 2.04 -0.52 -1.21 117.51 119.95 1uqr h ILE 58 Ca 0.10 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1uqr h ILE 58 Cb 0.46 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1uqr h ILE 58 CO 0.02 0.34 0.28 0.78 0.00 0.00 0.00 178.15 179.57 1uqr h ASN 59 N 1.08 1.10 -0.37 1.72 2.35 -0.98 -0.38 115.58 120.10 1uqr h ASN 59 Ca 0.24 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1uqr h ASN 59 Cb 0.25 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1uqr h ASN 59 CO -0.02 0.99 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.62 1uqr h ARG 60 N 1.14 0.77 -0.39 0.81 9.65 -1.06 -1.18 114.38 124.13 1uqr h ARG 60 Ca 0.26 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1uqr h ARG 60 Cb 0.26 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1uqr h ARG 60 CO -0.02 0.81 0.06 0.82 2.80 0.00 0.00 179.97 184.45 1uqr h ILE 61 N 0.71 1.24 -0.57 1.20 2.04 -0.69 -2.72 117.51 118.72 1uqr h ILE 61 Ca 0.13 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1uqr h ILE 61 Cb 0.50 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1uqr h ILE 61 CO 0.03 0.29 0.24 0.45 0.00 0.00 0.00 178.15 179.16 1uqr h HIS 62 N 0.48 0.82 0.00 1.37 3.86 -0.82 -1.78 115.15 119.09 1uqr h HIS 62 Ca 0.12 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1uqr h HIS 62 Cb 0.37 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1uqr h HIS 62 CO 0.02 0.62 0.00 1.96 0.86 0.00 0.00 177.93 181.40 1uqr h GLN 63 N 0.81 0.00 0.00 2.45 4.20 -0.92 -2.19 115.11 119.46 1uqr h GLN 63 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1uqr h GLN 63 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1uqr h GLN 63 CO -0.02 0.00 -0.33 0.00 -0.67 0.00 0.00 178.83 177.81 1uqr n ALA 64 N -2.05 3.07 -1.67 3.87 0.00 -0.67 -4.87 120.51 118.19 1uqr n ALA 64 Ca -0.01 -0.25 -0.50 0.00 0.00 0.00 0.00 53.44 52.68 1uqr n ALA 64 Cb 0.19 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 1uqr n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uqr n PHE 65 N -1.56 2.15 -0.98 0.00 -0.00 -0.83 -1.86 117.46 114.39 1uqr n PHE 65 Ca 0.06 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1uqr n PHE 65 Cb 0.35 -2.55 0.00 0.00 -0.00 0.00 0.00 39.48 37.28 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1uqr n GLN 66 N 5.06 -0.97 0.00 -4.13 1.13 -1.26 -4.75 117.38 112.46 1uqr n GLN 66 Ca 0.22 0.24 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 1uqr n GLN 66 Cb 0.24 -4.02 0.00 0.00 0.11 0.00 0.00 30.24 26.57 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1uqr n ASN 67 N -0.48 0.08 -4.29 1.08 0.23 -0.78 -5.06 115.26 106.05 1uqr n ASN 67 Ca 0.00 -0.41 -0.32 0.00 -0.53 0.00 0.00 54.58 53.32 1uqr n ASN 67 Cb 0.24 0.16 -0.16 0.00 -2.08 0.00 0.00 39.78 37.95 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uqr s THR 68 N -0.16 2.20 -0.27 5.53 2.01 -0.80 -4.68 115.64 119.47 1uqr s THR 68 Ca 0.00 -1.01 0.22 0.00 0.31 0.00 0.00 61.69 61.21 1uqr s THR 68 Cb 0.00 -1.81 -0.21 0.00 0.01 0.00 0.00 72.50 70.48 1uqr s THR 68 CO 0.00 0.57 0.74 0.47 -0.69 0.00 0.00 174.62 175.71 1uqr n ASP 69 N 2.98 0.39 -3.58 3.53 9.92 -0.28 -4.93 116.55 124.57 1uqr n ASP 69 Ca -0.18 -0.05 -0.16 0.00 -0.53 0.00 0.00 54.79 53.88 1uqr n ASP 69 Cb 0.52 1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 42.28 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1uqr s PHE 70 N -3.38 -0.73 -0.03 1.24 2.19 -1.17 -4.46 117.98 111.64 1uqr s PHE 70 Ca -0.03 1.54 0.07 0.00 0.33 0.00 0.00 56.93 58.84 1uqr s PHE 70 Cb 0.13 0.34 -0.02 0.00 -1.31 0.00 0.00 43.02 42.16 1uqr s PHE 70 CO 0.86 -0.49 -0.23 0.42 1.83 0.00 0.00 175.22 177.61 1uqr s ILE 71 N -0.38 1.85 -0.21 3.12 1.01 -0.53 -1.08 121.20 124.99 1uqr s ILE 71 Ca -0.05 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1uqr s ILE 71 Cb -0.03 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1uqr s ILE 71 CO 0.05 0.52 -0.14 -0.63 0.00 0.00 0.00 174.94 174.75 1uqr s ILE 72 N -0.42 2.40 -0.04 2.92 1.01 -0.19 -1.53 121.20 125.36 1uqr s ILE 72 Ca 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1uqr s ILE 72 Cb -0.10 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1uqr s ILE 72 CO 0.00 0.37 -0.08 -0.51 0.00 0.00 0.00 174.94 174.73 1uqr s ILE 73 N 1.29 0.73 -0.46 2.92 2.07 -0.50 -0.14 121.20 127.11 1uqr s ILE 73 Ca 0.02 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1uqr s ILE 73 Cb -0.15 -0.69 0.12 0.00 0.13 0.00 0.00 42.46 41.88 1uqr s ILE 73 CO -0.09 0.25 0.23 0.21 -1.91 0.00 0.00 174.94 173.63 1uqr s ASN 74 N 0.54 4.95 0.00 4.50 3.84 -0.33 -0.99 114.94 127.45 1uqr s ASN 74 Ca -0.08 -2.44 0.23 0.00 0.21 0.00 0.00 52.86 50.78 1uqr s ASN 74 Cb -0.12 -1.75 1.37 0.00 -0.55 0.00 0.00 41.25 40.20 1uqr s ASN 74 CO 0.01 -0.40 1.76 -0.81 -2.79 0.00 0.00 177.10 174.86 1uqr n PRO 75 N 3.97 0.69 0.00 0.43 -0.04 -1.26 0.50 135.00 139.29 1uqr n PRO 75 Ca 0.03 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1uqr n PRO 75 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uqr n GLY 76 N 0.47 2.32 0.33 0.55 0.00 -1.26 -1.95 105.19 105.64 1uqr n GLY 76 Ca 0.17 -0.42 0.19 0.00 0.00 0.00 0.00 46.02 45.96 1uqr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 77 N -0.88 1.32 0.00 4.61 0.00 -1.95 -2.26 119.26 120.10 1uqr h ALA 77 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 77 CO 0.00 -0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.37 1uqr n PHE 78 N -3.42 0.26 0.03 0.00 3.72 -0.82 -2.10 117.46 115.13 1uqr n PHE 78 Ca -0.02 0.11 0.01 0.00 -0.05 0.00 0.00 57.45 57.50 1uqr n PHE 78 Cb 0.14 -0.68 0.35 0.00 -0.94 0.00 0.00 39.48 38.35 1uqr n PHE 78 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1uqr h THR 79 N 0.00 1.17 0.00 4.37 1.35 -1.54 0.57 112.91 118.83 1uqr h THR 79 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1uqr h THR 79 Cb 0.22 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1uqr h THR 79 CO 0.00 0.23 -0.75 0.45 -0.25 0.00 0.00 175.52 175.20 1uqr h HIS 80 N 0.44 0.00 0.00 4.73 3.86 -1.59 0.38 115.15 122.96 1uqr h HIS 80 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1uqr h HIS 80 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1uqr h HIS 80 CO 0.01 0.00 -0.77 0.25 0.86 0.00 0.00 177.93 178.28 1uqr n THR 81 N -2.33 0.00 -3.09 2.45 -2.24 -1.06 -4.80 114.28 103.21 1uqr n THR 81 Ca 0.02 -0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 1uqr n THR 81 Cb 0.48 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 1uqr n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uqr s SER 82 N -1.57 6.57 0.36 3.42 0.15 0.17 -4.78 113.70 118.01 1uqr s SER 82 Ca 0.00 -2.10 0.17 0.00 0.70 0.00 0.00 55.95 54.71 1uqr s SER 82 Cb 0.00 -2.32 0.63 0.00 -1.71 0.00 0.00 66.02 62.62 1uqr s SER 82 CO 0.00 -0.92 1.72 0.58 1.20 0.00 0.00 173.24 175.82 1uqr h VAL 83 N 5.51 1.02 -0.47 4.45 2.07 -1.93 -2.88 116.25 124.03 1uqr h VAL 83 Ca 0.04 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1uqr h VAL 83 Cb 1.04 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1uqr h VAL 83 CO 0.99 0.41 0.24 0.00 0.02 0.00 0.00 177.57 179.24 1uqr h ALA 84 N 1.58 0.61 -0.28 1.67 0.00 -1.97 -0.53 119.26 120.34 1uqr h ALA 84 Ca -0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1uqr h ALA 84 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1uqr h ALA 84 CO 0.05 0.15 -0.38 0.82 0.00 0.00 0.00 179.25 179.90 1uqr h ILE 85 N 0.62 1.29 -0.20 0.00 2.04 -1.92 -1.18 117.51 118.16 1uqr h ILE 85 Ca 0.16 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.52 1uqr h ILE 85 Cb 0.08 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1uqr h ILE 85 CO -0.02 0.49 0.01 -0.09 0.00 0.00 0.00 178.15 178.54 1uqr h ARG 86 N 0.53 0.07 0.00 2.37 2.43 -1.25 -1.23 114.38 117.30 1uqr h ARG 86 Ca 0.05 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1uqr h ARG 86 Cb 0.89 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1uqr h ARG 86 CO 0.08 0.05 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.92 1uqr h ASP 87 N 0.08 0.00 -0.18 -3.80 3.32 -0.85 -1.20 116.42 113.78 1uqr h ASP 87 Ca 0.09 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1uqr h ASP 87 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1uqr h ASP 87 CO -0.15 0.23 -0.21 0.00 -1.72 0.00 0.00 179.24 177.39 1uqr h ALA 88 N 1.77 0.27 -0.57 3.45 0.00 -0.50 -0.48 119.26 123.20 1uqr h ALA 88 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1uqr h ALA 88 Cb 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uqr h ALA 88 CO 0.03 0.21 0.10 -0.07 0.00 0.00 0.00 179.25 179.52 1uqr h LEU 89 N 0.11 0.87 -0.76 0.00 3.38 -0.90 -2.38 115.31 115.63 1uqr h LEU 89 Ca 0.02 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1uqr h LEU 89 Cb 0.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1uqr h LEU 89 CO 0.05 0.87 -0.33 -0.07 0.09 0.00 0.00 178.44 179.05 1uqr h LEU 90 N 0.87 0.58 -1.01 1.67 3.38 -1.15 -2.77 115.31 116.87 1uqr h LEU 90 Ca 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1uqr h LEU 90 Cb 0.37 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1uqr h LEU 90 CO 0.01 0.87 0.42 0.00 0.09 0.00 0.00 178.44 179.82 1uqr h ALA 91 N 1.16 1.24 -0.00 1.53 0.00 -0.59 -2.91 119.26 119.69 1uqr h ALA 91 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uqr h ALA 91 Cb 0.81 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1uqr h ALA 91 CO 0.07 0.60 -0.31 1.33 0.00 0.00 0.00 179.25 180.94 1uqr n VAL 92 N -4.34 0.00 -3.96 0.00 0.24 -0.98 -4.98 118.33 104.32 1uqr n VAL 92 Ca 0.08 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.34 62.01 1uqr n VAL 92 Cb 0.11 0.30 -0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1uqr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uqr n SER 93 N -0.95 -2.30 -4.38 -1.34 7.64 -1.05 -4.68 113.62 106.56 1uqr n SER 93 Ca 0.10 -0.92 -0.34 0.00 1.01 0.00 0.00 58.87 58.72 1uqr n SER 93 Cb 0.34 -3.37 -0.13 0.00 -1.01 0.00 0.00 64.21 60.03 1uqr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uqr s ILE 94 N -3.59 3.52 0.41 0.44 1.01 -1.26 -5.08 121.20 116.66 1uqr s ILE 94 Ca 0.34 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 60.26 1uqr s ILE 94 Cb -0.18 -2.57 -0.10 0.00 0.01 0.00 0.00 42.46 39.62 1uqr s ILE 94 CO 0.87 0.45 1.47 -2.84 0.00 0.00 0.00 174.94 174.90 1uqr s PRO 95 N 1.00 3.93 0.06 2.79 0.02 -1.26 -4.76 135.00 136.77 1uqr s PRO 95 Ca 0.00 2.53 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 1uqr s PRO 95 Cb -0.15 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1uqr s PRO 95 CO 0.00 -0.67 0.04 -0.59 -0.33 0.00 0.00 177.00 175.46 1uqr s PHE 96 N -1.15 0.38 -0.08 6.54 -0.71 -1.26 -1.45 117.98 120.25 1uqr s PHE 96 Ca 0.56 -0.86 0.04 0.00 -1.04 0.00 0.00 56.93 55.64 1uqr s PHE 96 Cb -0.46 -0.27 -0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1uqr s PHE 96 CO 0.61 -0.42 -0.23 0.42 -1.34 0.00 0.00 175.22 174.27 1uqr s ILE 97 N -3.67 2.22 -0.13 -4.49 1.01 -0.58 -0.50 121.20 115.05 1uqr s ILE 97 Ca 0.04 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.54 1uqr s ILE 97 Cb 0.06 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1uqr s ILE 97 CO -0.09 0.56 0.41 -0.70 0.00 0.00 0.00 174.94 175.12 1uqr s GLU 98 N 0.08 4.30 -0.02 2.79 2.12 -0.64 -1.41 118.70 125.93 1uqr s GLU 98 Ca -0.10 0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.61 1uqr s GLU 98 Cb -0.16 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1uqr s GLU 98 CO 0.06 0.20 -0.20 0.08 -0.54 0.00 0.00 175.26 174.86 1uqr s VAL 99 N 0.53 1.55 -0.02 3.70 1.01 -0.16 -1.03 120.40 125.97 1uqr s VAL 99 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1uqr s VAL 99 Cb -0.14 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1uqr s VAL 99 CO 0.08 0.44 -0.02 -1.00 0.00 0.00 0.00 175.10 174.60 1uqr s HIS 100 N -0.42 0.39 0.04 5.22 3.76 -0.61 -4.10 115.29 119.57 1uqr s HIS 100 Ca 0.07 -0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 1uqr s HIS 100 Cb -0.08 -0.40 -0.17 0.00 1.11 0.00 0.00 32.58 33.05 1uqr s HIS 100 CO -0.00 -0.10 1.52 -0.07 -0.85 0.00 0.00 174.74 175.23 1uqr h LEU 101 N 6.89 0.02-10.43 0.89 3.38 -1.87 -1.90 115.31 112.29 1uqr h LEU 101 Ca -0.38 -0.23 -0.45 0.00 0.09 0.00 0.00 57.88 56.91 1uqr h LEU 101 Cb 1.15 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.94 1uqr h LEU 101 CO 0.49 0.25 -0.03 -0.94 0.09 0.00 0.00 178.44 178.29 1uqr s SER 102 N -5.45 5.54 -0.64 -0.43 1.04 -1.26 -1.28 113.70 111.22 1uqr s SER 102 Ca -0.14 0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.24 1uqr s SER 102 Cb 0.04 -1.26 0.05 0.00 0.10 0.00 0.00 66.02 64.95 1uqr s SER 102 CO 0.67 -0.95 1.07 0.21 0.98 0.00 0.00 173.24 175.23 1uqr s ASN 103 N -4.32 6.26 0.49 7.02 3.84 -1.26 -2.15 114.94 124.82 1uqr s ASN 103 Ca 0.53 -0.50 0.16 0.00 0.21 0.00 0.00 52.86 53.26 1uqr s ASN 103 Cb -0.10 -2.48 1.18 0.00 -0.55 0.00 0.00 41.25 39.30 1uqr s ASN 103 CO 0.39 -1.49 2.09 -0.37 -2.79 0.00 0.00 177.10 174.93 1uqr h VAL 104 N 6.03 1.03 0.00 -5.21 -1.51 -1.90 -2.15 116.25 112.54 1uqr h VAL 104 Ca -0.27 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1uqr h VAL 104 Cb 1.06 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1uqr h VAL 104 CO 1.18 0.08 0.00 0.45 -1.23 0.00 0.00 177.57 178.05 1uqr h HIS 105 N 0.00 0.00 -0.21 5.19 3.86 -1.91 -2.72 115.15 119.37 1uqr h HIS 105 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uqr h HIS 105 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1uqr h HIS 105 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1uqr n ALA 106 N -1.82 2.48 -2.28 2.45 0.00 -0.81 -4.93 120.51 115.61 1uqr n ALA 106 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1uqr n ALA 106 Cb 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1uqr n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uqr n ARG 107 N 0.93 3.50 -1.71 0.00 1.74 -1.02 -5.08 116.66 115.02 1uqr n ARG 107 Ca 0.17 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.88 1uqr n ARG 107 Cb 0.48 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.99 1uqr n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uqr n GLU 108 N 0.00 1.08 -0.14 5.56 4.71 -1.26 -4.89 120.64 125.70 1uqr n GLU 108 Ca 0.00 0.43 0.16 0.00 -0.01 0.00 0.00 57.16 57.73 1uqr n GLU 108 Cb 0.00 -2.51 0.53 0.00 -1.01 0.00 0.00 31.44 28.44 1uqr n GLU 108 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1uqr h PRO 109 N 0.49 0.36 0.00 3.49 0.11 -1.95 -0.71 132.00 133.79 1uqr h PRO 109 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uqr h PRO 109 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uqr h PRO 109 CO 0.53 0.24 0.00 1.97 -0.21 0.00 0.00 178.00 180.52 1uqr n PHE 110 N -4.46 0.83 1.50 0.65 1.16 -1.26 -1.38 117.46 114.49 1uqr n PHE 110 Ca 0.13 0.35 0.14 0.00 -1.87 0.00 0.00 57.45 56.21 1uqr n PHE 110 Cb 0.52 -1.07 0.53 0.00 -1.61 0.00 0.00 39.48 37.85 1uqr n PHE 110 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1uqr n ARG 111 N -2.28 1.63 0.00 3.97 1.74 -0.27 -3.78 116.66 117.67 1uqr n ARG 111 Ca 0.01 -0.94 0.14 0.00 -0.77 0.00 0.00 57.85 56.29 1uqr n ARG 111 Cb 0.18 -1.48 0.53 0.00 -1.02 0.00 0.00 32.46 30.67 1uqr n ARG 111 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1uqr n HIS 112 N 0.14 0.00 -4.47 -1.55 8.25 -0.48 -4.68 115.22 112.43 1uqr n HIS 112 Ca 0.19 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 1uqr n HIS 112 Cb 0.35 -0.39 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 1uqr n HIS 112 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uqr s HIS 113 N -2.93 3.07 -0.01 4.41 5.65 -1.25 -5.04 115.29 119.19 1uqr s HIS 113 Ca 0.15 0.13 0.01 0.00 0.25 0.00 0.00 55.06 55.60 1uqr s HIS 113 Cb 0.19 -1.75 0.00 0.00 -1.18 0.00 0.00 32.58 29.84 1uqr s HIS 113 CO 0.57 0.42 -0.05 0.45 -0.65 0.00 0.00 174.74 175.48 1uqr s SER 114 N -0.88 0.66 0.00 9.88 0.15 -1.26 -4.20 113.70 118.05 1uqr s SER 114 Ca 0.13 -0.10 0.24 0.00 0.70 0.00 0.00 55.95 56.93 1uqr s SER 114 Cb -0.11 -0.16 0.90 0.00 -1.71 0.00 0.00 66.02 64.94 1uqr s SER 114 CO 0.02 0.03 1.64 -1.22 1.20 0.00 0.00 173.24 174.91 1uqr n TYR 115 N 3.27 0.11 -0.02 3.44 4.01 0.12 -4.20 117.16 123.90 1uqr n TYR 115 Ca -0.17 -0.06 -0.03 0.00 -0.16 0.00 0.00 57.90 57.49 1uqr n TYR 115 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 1uqr n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uqr n LEU 116 N 0.24 1.94 -0.31 7.72 4.77 -1.26 -4.70 117.00 125.40 1uqr n LEU 116 Ca 0.18 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.28 1uqr n LEU 116 Cb 0.34 -0.07 0.33 0.00 -2.33 0.00 0.00 43.42 41.69 1uqr n LEU 116 CO 0.15 0.40 1.06 0.28 -1.33 0.00 0.00 177.39 177.95 1uqr h SER 117 N 0.00 0.37 0.85 -1.43 0.02 -1.92 -1.20 113.55 110.23 1uqr h SER 117 Ca -0.10 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1uqr h SER 117 Cb 1.17 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1uqr h SER 117 CO -0.01 -0.01 0.00 -2.24 -1.14 0.00 0.00 176.83 173.44 1uqr h ASP 118 N 0.41 0.00 -0.01 3.07 -0.00 -1.87 -2.91 116.42 115.11 1uqr h ASP 118 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.61 1uqr h ASP 118 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.46 1uqr h ASP 118 CO -0.53 0.00 -0.05 1.33 -0.00 0.00 0.00 179.24 179.99 1uqr n VAL 119 N -2.63 0.00 -2.24 4.15 0.24 -0.52 -5.00 118.33 112.33 1uqr n VAL 119 Ca 0.01 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.34 61.52 1uqr n VAL 119 Cb 0.26 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1uqr n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uqr s ALA 120 N -1.09 3.00 0.18 2.33 0.00 -0.82 -4.84 121.76 120.52 1uqr s ALA 120 Ca 0.13 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 1uqr s ALA 120 Cb 0.10 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1uqr s ALA 120 CO 0.18 -0.42 1.55 -0.22 0.00 0.00 0.00 175.76 176.85 1uqr h LYS 121 N 0.62 0.85 -2.69 0.00 1.63 -1.11 -3.47 116.57 112.40 1uqr h LYS 121 Ca -0.46 -0.40 0.12 0.00 -0.85 0.00 0.00 60.65 59.06 1uqr h LYS 121 Cb 1.19 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.75 1uqr h LYS 121 CO 0.61 1.04 0.36 0.20 -3.45 0.00 0.00 179.45 178.20 1uqr s GLY 122 N -3.86 -0.13 -0.01 5.01 0.00 -1.25 -5.06 107.32 102.03 1uqr s GLY 122 Ca -0.10 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1uqr s GLY 122 CO 0.86 0.01 -0.03 0.14 0.00 0.00 0.00 173.10 174.08 1uqr s VAL 123 N -3.52 0.29 -0.12 1.40 1.01 -1.26 -1.62 120.40 116.57 1uqr s VAL 123 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1uqr s VAL 123 Cb -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1uqr s VAL 123 CO 0.05 0.10 -0.12 -0.63 0.00 0.00 0.00 175.10 174.50 1uqr s ILE 124 N 0.09 1.32 -0.03 2.22 1.01 -0.20 -4.98 121.20 120.64 1uqr s ILE 124 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1uqr s ILE 124 Cb -0.03 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1uqr s ILE 124 CO -0.00 0.41 0.05 0.00 0.00 0.00 0.00 174.94 175.40 1uqr n GLY 126 N 3.99 0.66 1.45 0.00 0.00 -0.71 -4.70 105.19 105.88 1uqr n GLY 126 Ca -0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1uqr n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uqr n LEU 127 N 0.00 4.28 0.00 0.99 4.77 -1.17 -4.64 117.00 121.23 1uqr n LEU 127 Ca 0.00 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1uqr n LEU 127 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1uqr n LEU 127 CO 0.00 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1uqr n GLY 128 N 0.96 0.69 0.35 -0.72 0.00 -0.41 -3.20 105.19 102.86 1uqr n GLY 128 Ca 0.22 -0.81 0.17 0.00 0.00 0.00 0.00 46.02 45.60 1uqr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 129 N -0.86 2.30 0.00 4.61 0.00 -1.94 -0.82 119.26 122.55 1uqr h ALA 129 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uqr h ALA 129 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1uqr h ALA 129 CO 0.00 -0.45 -0.00 0.87 0.00 0.00 0.00 179.25 179.66 1uqr h LYS 130 N 0.00 0.00 -0.79 0.00 1.57 -1.98 -1.50 116.57 113.87 1uqr h LYS 130 Ca 0.17 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1uqr h LYS 130 Cb 0.70 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1uqr h LYS 130 CO -0.00 0.00 0.52 0.78 -0.57 0.00 0.00 179.45 180.19 1uqr h GLY 131 N 0.07 1.12 1.52 3.86 0.00 -1.22 -1.27 103.07 107.15 1uqr h GLY 131 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1uqr h GLY 131 CO 0.00 0.36 -0.22 -0.97 0.00 0.00 0.00 176.54 175.71 1uqr h TYR 132 N 1.01 0.62 -0.45 5.60 0.05 -1.46 -1.73 116.97 120.61 1uqr h TYR 132 Ca 0.31 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 1uqr h TYR 132 Cb -0.01 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1uqr h TYR 132 CO -0.00 0.74 0.09 -0.44 -1.05 0.00 0.00 178.16 177.50 1uqr h ASP 133 N 0.49 0.69 -0.55 3.88 3.32 -1.31 -1.14 116.42 121.81 1uqr h ASP 133 Ca 0.07 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 1uqr h ASP 133 Cb 0.66 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1uqr h ASP 133 CO 0.05 0.76 0.01 1.88 -1.72 0.00 0.00 179.24 180.21 1uqr h TYR 134 N 0.60 1.07 -0.69 4.55 0.05 -1.19 -1.21 116.97 120.15 1uqr h TYR 134 Ca 0.14 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 1uqr h TYR 134 Cb 0.35 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1uqr h TYR 134 CO 0.02 0.95 0.35 0.00 -1.05 0.00 0.00 178.16 178.43 1uqr h ALA 135 N 1.08 0.89 -0.54 3.88 0.00 -1.12 -0.76 119.26 122.68 1uqr h ALA 135 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1uqr h ALA 135 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1uqr h ALA 135 CO 0.03 0.44 0.18 1.25 0.00 0.00 0.00 179.25 181.14 1uqr h LEU 136 N 0.95 0.78 -0.45 0.00 5.85 -0.88 -0.52 115.31 121.04 1uqr h LEU 136 Ca 0.24 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1uqr h LEU 136 Cb 0.09 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1uqr h LEU 136 CO -0.03 0.77 0.28 -0.78 -0.34 0.00 0.00 178.44 178.34 1uqr h ASP 137 N 0.75 0.47 -0.37 1.25 1.82 -0.82 -1.44 116.42 118.08 1uqr h ASP 137 Ca 0.18 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 1uqr h ASP 137 Cb 0.27 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 1uqr h ASP 137 CO -0.01 0.34 0.08 0.15 -1.61 0.00 0.00 179.24 178.20 1uqr h PHE 138 N 0.57 0.63 -0.57 0.28 3.57 -0.90 -1.93 116.94 118.59 1uqr h PHE 138 Ca 0.17 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1uqr h PHE 138 Cb -0.03 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1uqr h PHE 138 CO -0.06 0.63 0.27 0.00 -2.23 0.00 0.00 178.31 176.93 1uqr h ALA 139 N 0.93 0.74 -0.60 2.41 0.00 -0.82 -0.54 119.26 121.38 1uqr h ALA 139 Ca 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1uqr h ALA 139 Cb 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1uqr h ALA 139 CO 0.00 -0.09 0.22 0.82 0.00 0.00 0.00 179.25 180.21 1uqr h ILE 140 N 0.52 1.23 -0.47 0.00 2.04 -1.11 -0.47 117.51 119.25 1uqr h ILE 140 Ca 0.26 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1uqr h ILE 140 Cb 0.21 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1uqr h ILE 140 CO -0.20 0.29 0.19 0.77 0.00 0.00 0.00 178.15 179.19 1uqr h SER 141 N 0.83 0.60 -0.33 1.72 4.64 -0.65 -0.27 113.55 120.08 1uqr h SER 141 Ca 0.20 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 1uqr h SER 141 Cb 0.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1uqr h SER 141 CO -0.01 0.54 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.88 1uqr h GLU 142 N 0.66 0.77 0.00 4.77 4.39 -0.59 -2.92 114.58 121.67 1uqr h GLU 142 Ca 0.16 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1uqr h GLU 142 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1uqr h GLU 142 CO -0.02 1.01 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.67 1uqr h LEU 143 N 0.55 0.00 -0.25 1.33 3.38 -0.52 -3.02 115.31 116.78 1uqr h LEU 143 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1uqr h LEU 143 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1uqr h LEU 143 CO 0.07 0.11 -0.75 1.56 0.09 0.00 0.00 178.44 179.52 1uqr h GLN 144 N 0.00 0.67 0.00 1.13 4.20 -0.88 -3.01 115.11 117.22 1uqr h GLN 144 Ca -0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1uqr h GLN 144 Cb 0.60 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1uqr h GLN 144 CO 0.01 1.16 0.00 0.36 -0.67 0.00 0.00 178.83 179.69 1uqr n LYS 145 N -3.91 0.94 0.00 1.46 2.85 -1.13 -5.11 118.16 113.26 1uqr n LYS 145 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1uqr n LYS 145 Cb 0.73 -1.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.06 1uqr n LYS 145 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86