#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 4.84 -0.05 0.03 1.02 -1.26 -4.89 119.74 119.42 1uqr s LYS 2 Ca 0.00 1.51 0.03 0.00 0.02 0.00 0.00 55.97 57.54 1uqr s LYS 2 Cb 0.00 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1uqr s LYS 2 CO 0.00 0.49 -0.13 0.21 -0.92 0.00 0.00 175.35 174.99 1uqr s LYS 3 N -1.17 2.52 -0.04 1.68 2.20 -1.26 -2.10 119.74 121.57 1uqr s LYS 3 Ca 0.41 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 55.40 1uqr s LYS 3 Cb -0.26 -2.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1uqr s LYS 3 CO 0.33 0.63 -0.23 0.42 -0.36 0.00 0.00 175.35 176.13 1uqr s ILE 4 N -0.76 2.31 -0.17 5.43 1.01 0.24 -0.75 121.20 128.51 1uqr s ILE 4 Ca 0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1uqr s ILE 4 Cb -0.11 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 1uqr s ILE 4 CO 0.01 0.58 -0.12 -0.22 0.00 0.00 0.00 174.94 175.18 1uqr s LEU 5 N -0.53 2.60 -0.27 2.97 2.96 -0.30 -1.07 118.68 125.04 1uqr s LEU 5 Ca 0.07 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1uqr s LEU 5 Cb -0.11 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1uqr s LEU 5 CO 0.00 0.07 0.23 -0.22 -1.32 0.00 0.00 176.35 175.11 1uqr s LEU 6 N 0.94 4.04 -0.08 -0.68 2.96 0.35 -1.12 118.68 125.10 1uqr s LEU 6 Ca -0.02 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1uqr s LEU 6 Cb -0.15 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1uqr s LEU 6 CO -0.01 -0.06 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.99 1uqr s LEU 7 N 1.68 2.25 -0.06 -0.68 1.43 0.54 -1.04 118.68 122.80 1uqr s LEU 7 Ca 0.09 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1uqr s LEU 7 Cb -0.15 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1uqr s LEU 7 CO 0.10 0.22 -0.17 0.20 0.23 0.00 0.00 176.35 176.93 1uqr s ASN 8 N 0.01 2.19 0.26 2.29 0.01 -0.35 -1.30 114.94 118.05 1uqr s ASN 8 Ca -0.08 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1uqr s ASN 8 Cb -0.15 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.66 1uqr s ASN 8 CO 0.05 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1uqr n GLY 9 N 3.49 0.07 3.61 0.66 0.00 0.11 -2.33 105.19 110.80 1uqr n GLY 9 Ca -0.20 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.39 1.47 -0.32 1.61 -0.04 -1.02 -2.77 135.00 133.53 1uqr n PRO 10 Ca 0.00 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1uqr n PRO 10 Cb 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 1.03 0.00 0.29 3.54 3.02 -1.26 -4.52 115.26 117.36 1uqr n ASN 11 Ca 0.09 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.81 1uqr n ASN 11 Cb 0.34 -0.96 0.80 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.38 3.41 -0.00 -1.89 -1.60 115.31 114.85 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 0.04 0.00 -0.46 -0.00 0.00 0.00 178.44 178.02 1uqr n ASN 13 N -3.19 0.33 -0.10 -0.43 6.94 -1.26 -2.23 115.26 115.31 1uqr n ASN 13 Ca -0.01 0.59 0.14 0.00 -0.02 0.00 0.00 54.58 55.28 1uqr n ASN 13 Cb 0.25 -0.66 0.65 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.87 0.71 -1.67 -3.83 2.81 -0.60 -4.78 117.12 107.89 1uqr n MET 14 Ca 0.03 -0.21 -0.47 0.00 -1.81 0.00 0.00 57.70 55.24 1uqr n MET 14 Cb 0.19 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.16 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 -0.96 3.07 0.00 4.03 4.77 -0.95 -1.42 117.00 125.54 1uqr n LEU 15 Ca 0.15 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1uqr n LEU 15 Cb 0.26 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1uqr n LEU 15 CO 0.23 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1uqr n GLY 16 N 3.51 0.49 0.04 -0.72 0.00 -1.18 -3.97 105.19 103.36 1uqr n GLY 16 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.75 0.00 1.61 4.76 -0.51 -4.82 118.16 117.96 1uqr n LYS 17 Ca 0.00 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1uqr n LYS 17 Cb 0.09 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.36 0.00 0.00 1.97 1.74 -1.25 -5.17 116.66 111.59 1uqr n ARG 18 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1uqr n ARG 18 Cb 0.72 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 1uqr n ARG 18 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1uqr n ILE 22 N -0.17 0.00 -0.05 0.55 5.41 -1.26 -5.09 119.36 118.76 1uqr n ILE 22 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 1uqr n ILE 22 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 1uqr n ILE 22 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1uqr n TYR 23 N 0.00 0.00 0.00 1.39 4.02 -1.26 -5.14 117.16 116.17 1uqr n TYR 23 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1uqr n TYR 23 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 1uqr n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uqr n GLY 24 N 2.49 0.95 0.31 2.72 0.00 -1.26 -4.85 105.19 105.55 1uqr n GLY 24 Ca -0.17 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.04 1uqr n GLY 24 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uqr h SER 25 N 0.00 0.00 -2.71 1.61 0.87 -1.98 -3.35 113.55 107.99 1uqr h SER 25 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 1uqr h SER 25 Cb 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.03 1uqr h SER 25 CO 0.00 0.03 0.80 1.67 -0.53 0.00 0.00 176.83 178.79 1uqr n GLN 26 N -3.40 2.36 -3.39 2.24 7.27 -1.26 -4.70 117.38 116.50 1uqr n GLN 26 Ca -0.02 0.84 -0.21 0.00 0.07 0.00 0.00 57.00 57.69 1uqr n GLN 26 Cb 0.14 -2.60 -0.00 0.00 2.41 0.00 0.00 30.24 30.19 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 0.42 2.47 0.19 1.69 -4.23 -1.26 -3.10 115.64 111.82 1uqr s THR 27 Ca 0.71 -1.23 -0.10 0.00 -1.18 0.00 0.00 61.69 59.89 1uqr s THR 27 Cb -0.59 -2.70 0.12 0.00 1.34 0.00 0.00 72.50 70.66 1uqr s THR 27 CO 0.43 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.55 1uqr h LEU 28 N 0.74 0.90 -0.89 4.79 5.85 -1.80 -2.30 115.31 122.59 1uqr h LEU 28 Ca -0.38 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.24 1uqr h LEU 28 Cb 1.28 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1uqr h LEU 28 CO 0.51 0.77 0.58 -1.28 -0.34 0.00 0.00 178.44 178.68 1uqr h SER 29 N 0.96 0.96 -0.34 1.25 0.87 -1.94 -0.26 113.55 115.05 1uqr h SER 29 Ca 0.24 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1uqr h SER 29 Cb 0.11 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 1uqr h SER 29 CO -0.03 0.67 0.04 0.44 -0.53 0.00 0.00 176.83 177.42 1uqr h ASP 30 N 1.13 -0.04 -0.48 6.23 3.45 -1.81 -0.10 116.42 124.80 1uqr h ASP 30 Ca 0.35 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.83 1uqr h ASP 30 Cb -0.02 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1uqr h ASP 30 CO -0.11 0.01 0.11 0.40 -1.57 0.00 0.00 179.24 178.09 1uqr h ILE 31 N 0.15 1.24 -0.14 0.35 2.04 -1.02 -0.86 117.51 119.28 1uqr h ILE 31 Ca 0.16 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1uqr h ILE 31 Cb 0.20 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1uqr h ILE 31 CO -0.24 0.30 0.08 -0.33 0.00 0.00 0.00 178.15 177.96 1uqr h GLU 32 N 0.64 0.19 -0.40 2.37 5.08 -0.64 -0.52 114.58 121.30 1uqr h GLU 32 Ca 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1uqr h GLU 32 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1uqr h GLU 32 CO 0.00 0.18 0.18 1.96 -1.00 0.00 0.00 179.01 180.34 1uqr h GLN 33 N 0.14 0.58 -0.83 2.33 1.08 -0.97 -1.01 115.11 116.43 1uqr h GLN 33 Ca 0.05 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1uqr h GLN 33 Cb 0.05 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 1uqr h GLN 33 CO -0.01 0.52 0.45 1.25 -0.95 0.00 0.00 178.83 180.09 1uqr h HIS 34 N 0.50 1.15 -0.24 2.96 2.76 -1.01 0.01 115.15 121.28 1uqr h HIS 34 Ca 0.14 -0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.10 1uqr h HIS 34 Cb 0.13 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 1uqr h HIS 34 CO -0.01 0.80 -0.54 1.25 -1.30 0.00 0.00 177.93 178.14 1uqr h LEU 35 N 1.16 0.79 -0.27 0.26 5.85 -0.91 -2.02 115.31 120.17 1uqr h LEU 35 Ca 0.29 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1uqr h LEU 35 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1uqr h LEU 35 CO -0.05 1.17 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.59 1uqr h GLN 36 N 0.55 0.49 -0.25 1.25 4.15 -0.91 -1.45 115.11 118.95 1uqr h GLN 36 Ca 0.01 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.29 1uqr h GLN 36 Cb 1.11 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 1uqr h GLN 36 CO 0.11 0.67 0.08 1.96 -1.93 0.00 0.00 178.83 179.72 1uqr h GLN 37 N 0.26 0.18 -0.88 1.69 4.20 -0.98 -1.38 115.11 118.20 1uqr h GLN 37 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1uqr h GLN 37 Cb 0.47 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1uqr h GLN 37 CO 0.02 0.12 0.56 1.03 -0.67 0.00 0.00 178.83 179.88 1uqr h SER 38 N 0.18 1.03 -0.21 1.46 0.87 -1.27 -1.12 113.55 114.49 1uqr h SER 38 Ca 0.11 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1uqr h SER 38 Cb 0.09 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1uqr h SER 38 CO -0.12 0.77 0.05 0.00 -0.53 0.00 0.00 176.83 176.99 1uqr h ALA 39 N 1.30 0.28 -0.52 6.23 0.00 -0.88 -3.03 119.26 122.64 1uqr h ALA 39 Ca 0.32 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1uqr h ALA 39 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1uqr h ALA 39 CO -0.06 -0.06 0.08 1.96 0.00 0.00 0.00 179.25 181.17 1uqr h GLN 40 N 0.16 0.82 0.00 0.00 4.20 -1.04 -1.21 115.11 118.04 1uqr h GLN 40 Ca 0.07 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1uqr h GLN 40 Cb 0.29 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1uqr h GLN 40 CO 0.00 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.93 1uqr n ALA 41 N -2.47 1.34 -0.04 3.87 0.00 -0.44 -1.43 120.51 121.34 1uqr n ALA 41 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1uqr n ALA 41 Cb 0.25 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.64 1uqr n ALA 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uqr n GLN 42 N -1.74 2.39 -0.87 0.00 6.02 -0.63 -4.97 117.38 117.58 1uqr n GLN 42 Ca 0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 1uqr n GLN 42 Cb 0.10 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 0.50 0.68 3.36 1.08 0.00 -0.51 -5.08 105.19 105.22 1uqr n GLY 43 Ca 0.10 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 1.97 -0.06 1.61 2.02 -0.56 -4.67 117.35 115.66 1uqr s TYR 44 Ca 0.00 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.23 1uqr s TYR 44 Cb 0.00 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1uqr s TYR 44 CO 0.00 0.39 0.12 -1.21 -1.57 0.00 0.00 175.55 173.28 1uqr s GLU 45 N -2.78 3.29 -0.04 -0.62 2.02 -0.89 -2.68 118.70 117.00 1uqr s GLU 45 Ca 0.18 -0.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 1uqr s GLU 45 Cb -0.06 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.16 1uqr s GLU 45 CO 0.08 0.71 0.09 -1.17 0.02 0.00 0.00 175.26 174.99 1uqr s LEU 46 N -1.41 0.72 0.22 1.80 0.20 -1.26 -0.59 118.68 118.36 1uqr s LEU 46 Ca 0.20 0.17 0.07 0.00 0.69 0.00 0.00 54.13 55.26 1uqr s LEU 46 Cb -0.12 0.11 -0.04 0.00 -0.43 0.00 0.00 46.19 45.71 1uqr s LEU 46 CO 0.10 -0.16 0.08 -1.81 -0.29 0.00 0.00 176.35 174.26 1uqr s ASP 47 N 1.37 5.06 0.05 3.68 1.01 -0.23 -4.90 116.67 122.70 1uqr s ASP 47 Ca -0.06 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.84 1uqr s ASP 47 Cb -0.12 -1.16 -0.03 0.00 1.01 0.00 0.00 42.92 42.62 1uqr s ASP 47 CO -0.04 0.03 -0.05 -0.72 0.21 0.00 0.00 175.17 174.59 1uqr s TYR 48 N -2.00 0.55 -0.12 4.23 1.13 -1.26 -0.50 117.35 119.39 1uqr s TYR 48 Ca 0.31 -0.70 -0.25 0.00 -1.41 0.00 0.00 57.07 55.01 1uqr s TYR 48 Cb -0.08 -0.35 0.06 0.00 -1.10 0.00 0.00 41.96 40.48 1uqr s TYR 48 CO 0.22 -0.19 0.61 0.12 -2.51 0.00 0.00 175.55 173.80 1uqr s PHE 49 N -2.34 -0.61 -0.05 -3.49 5.36 -0.20 -4.94 117.98 111.71 1uqr s PHE 49 Ca -0.04 1.24 -0.04 0.00 -0.96 0.00 0.00 56.93 57.12 1uqr s PHE 49 Cb -0.04 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1uqr s PHE 49 CO -0.03 -0.48 0.12 -1.14 -1.46 0.00 0.00 175.22 172.24 1uqr s GLN 50 N -0.62 0.13 0.12 10.12 -0.44 -1.26 -1.21 119.66 126.50 1uqr s GLN 50 Ca -0.07 0.19 -0.20 0.00 -2.50 0.00 0.00 55.36 52.78 1uqr s GLN 50 Cb -0.02 0.04 0.05 0.00 -1.64 0.00 0.00 33.01 31.43 1uqr s GLN 50 CO 0.06 -0.03 0.49 0.00 0.50 0.00 0.00 175.29 176.30 1uqr s ALA 51 N 0.19 -1.22 -1.26 1.58 0.00 -0.99 -4.99 121.76 115.07 1uqr s ALA 51 Ca -0.01 0.26 0.19 0.00 0.00 0.00 0.00 51.96 52.40 1uqr s ALA 51 Cb -0.02 0.67 0.65 0.00 0.00 0.00 0.00 23.12 24.42 1uqr s ALA 51 CO -0.01 -0.64 1.56 0.09 0.00 0.00 0.00 175.76 176.76 1uqr n ASN 52 N -0.11 4.33 -4.08 0.00 3.02 -1.26 -2.45 115.26 114.72 1uqr n ASN 52 Ca -0.17 -2.32 -0.10 0.00 -0.03 0.00 0.00 54.58 51.97 1uqr n ASN 52 Cb 0.63 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.00 0.50 0.17 7.41 0.00 -1.26 -4.71 107.32 108.43 1uqr s GLY 53 Ca 0.47 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 1uqr s GLY 53 CO 0.25 -1.11 1.68 0.83 0.00 0.00 0.00 173.10 174.75 1uqr h GLU 54 N 3.71 0.97 -0.09 2.90 5.08 -1.99 -2.70 114.58 122.45 1uqr h GLU 54 Ca -0.34 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1uqr h GLU 54 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1uqr h GLU 54 CO 0.55 0.90 0.02 1.49 -1.00 0.00 0.00 179.01 180.97 1uqr h GLU 55 N 0.88 0.06 -0.45 2.33 4.81 -1.98 0.19 114.58 120.42 1uqr h GLU 55 Ca 0.19 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1uqr h GLU 55 Cb 0.38 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1uqr h GLU 55 CO 0.01 0.04 0.29 0.77 -0.73 0.00 0.00 179.01 179.39 1uqr h SER 56 N 0.06 0.51 -0.42 1.04 0.02 -1.98 -0.42 113.55 112.36 1uqr h SER 56 Ca 0.04 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1uqr h SER 56 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1uqr h SER 56 CO -0.05 0.37 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.86 1uqr h LEU 57 N 0.60 0.79 -0.59 5.07 3.38 -1.24 -2.16 115.31 121.17 1uqr h LEU 57 Ca 0.17 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1uqr h LEU 57 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1uqr h LEU 57 CO -0.04 0.96 0.10 0.40 0.09 0.00 0.00 178.44 179.95 1uqr h ILE 58 N 0.62 1.26 -0.64 1.22 2.04 -0.48 -1.20 117.51 120.32 1uqr h ILE 58 Ca 0.11 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 1uqr h ILE 58 Cb 0.60 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1uqr h ILE 58 CO 0.04 0.36 0.23 0.78 0.00 0.00 0.00 178.15 179.56 1uqr h ASN 59 N 0.87 0.87 -0.07 1.72 2.35 -1.01 -0.17 115.58 120.15 1uqr h ASN 59 Ca 0.18 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1uqr h ASN 59 Cb 0.42 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1uqr h ASN 59 CO 0.01 0.79 -0.35 -0.09 -1.65 0.00 0.00 177.43 176.15 1uqr h ARG 60 N 0.93 0.57 -0.48 0.81 9.65 -1.03 -1.42 114.38 123.40 1uqr h ARG 60 Ca 0.21 -0.26 -0.10 0.00 -1.10 0.00 0.00 59.98 58.73 1uqr h ARG 60 Cb 0.21 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1uqr h ARG 60 CO -0.02 0.84 -0.09 0.82 2.80 0.00 0.00 179.97 184.32 1uqr h ILE 61 N 0.48 1.27 -0.47 1.20 2.04 -0.63 -2.64 117.51 118.76 1uqr h ILE 61 Ca 0.05 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 1uqr h ILE 61 Cb 0.83 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1uqr h ILE 61 CO 0.07 0.42 0.03 0.45 0.00 0.00 0.00 178.15 179.12 1uqr h HIS 62 N 0.76 0.79 0.00 1.37 3.86 -0.85 -2.25 115.15 118.83 1uqr h HIS 62 Ca 0.12 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1uqr h HIS 62 Cb 0.64 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1uqr h HIS 62 CO 0.05 0.72 -0.10 1.96 0.86 0.00 0.00 177.93 181.42 1uqr h GLN 63 N 0.71 0.00 -0.00 2.45 4.20 -1.01 -2.09 115.11 119.37 1uqr h GLN 63 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1uqr h GLN 63 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1uqr h GLN 63 CO 0.01 0.10 -0.09 0.00 -0.67 0.00 0.00 178.83 178.18 1uqr n ALA 64 N -2.20 2.64 -1.68 3.87 0.00 -0.85 -4.83 120.51 117.45 1uqr n ALA 64 Ca -0.01 -0.19 -0.46 0.00 0.00 0.00 0.00 53.44 52.78 1uqr n ALA 64 Cb 0.27 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.30 2.34 -0.90 0.00 -0.00 -0.79 -1.95 117.46 114.87 1uqr n PHE 65 Ca 0.11 0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 1uqr n PHE 65 Cb 0.30 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.17 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 4.79 -0.74 0.00 -4.13 6.02 -1.26 -4.73 117.38 117.33 1uqr n GLN 66 Ca 0.19 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1uqr n GLN 66 Cb 0.30 -3.97 0.00 0.00 1.02 0.00 0.00 30.24 27.59 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1uqr n ASN 67 N -0.37 0.07 -4.33 1.08 6.94 -0.98 -5.05 115.26 112.62 1uqr n ASN 67 Ca 0.00 -0.35 -0.32 0.00 -0.02 0.00 0.00 54.58 53.89 1uqr n ASN 67 Cb 0.19 0.25 -0.15 0.00 -2.36 0.00 0.00 39.78 37.70 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1uqr s THR 68 N -0.25 2.44 -0.33 5.53 2.01 -0.82 -4.58 115.64 119.63 1uqr s THR 68 Ca 0.00 -0.93 0.22 0.00 0.31 0.00 0.00 61.69 61.29 1uqr s THR 68 Cb 0.00 -1.92 -0.29 0.00 0.01 0.00 0.00 72.50 70.30 1uqr s THR 68 CO 0.00 0.57 0.64 0.47 -0.69 0.00 0.00 174.62 175.61 1uqr n ASP 69 N 2.86 0.33 -3.58 3.53 9.92 0.07 -4.93 116.55 124.74 1uqr n ASP 69 Ca -0.17 -0.28 -0.16 0.00 -0.53 0.00 0.00 54.79 53.65 1uqr n ASP 69 Cb 0.52 1.62 -0.07 0.00 -0.64 0.00 0.00 41.12 42.56 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 -3.36 -0.73 -0.04 1.24 2.19 -1.18 -4.50 117.98 111.61 1uqr s PHE 70 Ca -0.03 1.55 0.06 0.00 0.33 0.00 0.00 56.93 58.84 1uqr s PHE 70 Cb 0.14 0.33 -0.01 0.00 -1.31 0.00 0.00 43.02 42.18 1uqr s PHE 70 CO 0.89 -0.49 -0.24 0.42 1.83 0.00 0.00 175.22 177.64 1uqr s ILE 71 N -0.36 1.92 -0.22 3.12 1.01 -0.38 -1.15 121.20 125.13 1uqr s ILE 71 Ca -0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1uqr s ILE 71 Cb -0.03 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1uqr s ILE 71 CO 0.05 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 174.82 1uqr s ILE 72 N -0.27 2.91 -0.03 2.92 1.01 -0.27 -1.51 121.20 125.96 1uqr s ILE 72 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1uqr s ILE 72 Cb -0.12 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1uqr s ILE 72 CO 0.02 0.36 -0.05 -0.51 0.00 0.00 0.00 174.94 174.76 1uqr s ILE 73 N 1.38 0.53 -0.44 2.92 2.07 -0.47 -0.34 121.20 126.85 1uqr s ILE 73 Ca 0.04 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.08 1uqr s ILE 73 Cb -0.15 -0.52 0.12 0.00 0.13 0.00 0.00 42.46 42.04 1uqr s ILE 73 CO -0.06 0.20 0.24 0.21 -1.91 0.00 0.00 174.94 173.62 1uqr s ASN 74 N 0.58 5.21 0.00 4.50 3.84 -0.42 -0.94 114.94 127.71 1uqr s ASN 74 Ca -0.08 -2.19 0.22 0.00 0.21 0.00 0.00 52.86 51.02 1uqr s ASN 74 Cb -0.11 -1.82 1.16 0.00 -0.55 0.00 0.00 41.25 39.93 1uqr s ASN 74 CO 0.00 -0.50 1.71 -0.81 -2.79 0.00 0.00 177.10 174.71 1uqr n PRO 75 N 4.37 0.40 0.00 0.43 -0.04 -1.26 0.07 135.00 138.97 1uqr n PRO 75 Ca -0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1uqr n PRO 75 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.54 2.21 0.31 0.55 0.00 -1.26 -2.06 105.19 105.48 1uqr n GLY 76 Ca 0.12 -0.46 0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.99 1.31 0.00 4.61 0.00 -1.95 -2.55 119.26 119.70 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 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1uqr n PHE 78 N -3.54 0.72 0.23 0.00 3.72 -0.87 -1.60 117.46 116.12 1uqr n PHE 78 Ca -0.03 0.34 0.07 0.00 -0.05 0.00 0.00 57.45 57.78 1uqr n PHE 78 Cb 0.08 -1.04 0.55 0.00 -0.94 0.00 0.00 39.48 38.12 1uqr n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uqr h THR 79 N 0.00 0.95 0.00 4.37 1.03 -1.60 0.44 112.91 118.11 1uqr h THR 79 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 1uqr h THR 79 Cb 0.13 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1uqr h THR 79 CO 0.00 0.20 -1.00 1.41 -0.01 0.00 0.00 175.52 176.12 1uqr n HIS 80 N -4.02 0.69 0.00 0.00 8.25 -0.62 -0.62 115.22 118.90 1uqr n HIS 80 Ca -0.02 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1uqr n HIS 80 Cb 0.28 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.62 1uqr n HIS 80 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1uqr n THR 81 N -2.40 0.00 -3.07 1.59 -2.24 -1.03 -4.74 114.28 102.39 1uqr n THR 81 Ca 0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 1uqr n THR 81 Cb 0.51 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.72 6.37 0.26 3.42 0.15 0.12 -4.80 113.70 117.50 1uqr s SER 82 Ca 0.00 -1.71 0.13 0.00 0.70 0.00 0.00 55.95 55.07 1uqr s SER 82 Cb 0.00 -2.33 0.20 0.00 -1.71 0.00 0.00 66.02 62.18 1uqr s SER 82 CO 0.00 -1.06 1.50 0.58 1.20 0.00 0.00 173.24 175.46 1uqr h VAL 83 N 5.74 1.20 -0.61 4.45 2.07 -1.92 -3.02 116.25 124.17 1uqr h VAL 83 Ca -0.13 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.00 1uqr h VAL 83 Cb 1.06 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1uqr h VAL 83 CO 1.06 0.61 0.25 0.00 0.02 0.00 0.00 177.57 179.51 1uqr h ALA 84 N 1.37 0.79 -0.20 1.67 0.00 -1.98 -0.19 119.26 120.73 1uqr h ALA 84 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1uqr h ALA 84 Cb 1.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1uqr h ALA 84 CO 0.08 0.40 -0.50 0.82 0.00 0.00 0.00 179.25 180.06 1uqr h ILE 85 N 0.84 1.32 -0.24 0.00 2.04 -1.94 -0.85 117.51 118.68 1uqr h ILE 85 Ca 0.20 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.37 1uqr h ILE 85 Cb 0.20 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1uqr h ILE 85 CO -0.02 0.53 0.10 -0.09 0.00 0.00 0.00 178.15 178.67 1uqr h ARG 86 N 0.42 0.21 0.00 2.37 2.43 -1.32 -1.18 114.38 117.31 1uqr h ARG 86 Ca 0.02 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1uqr h ARG 86 Cb 1.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1uqr h ARG 86 CO 0.09 0.14 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.92 1uqr h ASP 87 N 0.22 0.00 -0.21 -3.80 3.32 -0.82 -1.76 116.42 113.36 1uqr h ASP 87 Ca 0.10 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1uqr h ASP 87 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1uqr h ASP 87 CO -0.09 0.33 -0.14 0.00 -1.72 0.00 0.00 179.24 177.62 1uqr h ALA 88 N 1.67 0.30 -0.71 3.45 0.00 -0.59 -0.45 119.26 122.93 1uqr h ALA 88 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1uqr h ALA 88 Cb 0.66 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1uqr h ALA 88 CO 0.04 0.18 0.27 -0.07 0.00 0.00 0.00 179.25 179.67 1uqr h LEU 89 N 0.15 0.97 -0.53 0.00 3.38 -0.97 -2.56 115.31 115.74 1uqr h LEU 89 Ca 0.04 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1uqr h LEU 89 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1uqr h LEU 89 CO 0.04 0.87 -0.49 -0.07 0.09 0.00 0.00 178.44 178.88 1uqr h LEU 90 N 1.03 0.68 -1.38 1.67 3.38 -1.25 -3.03 115.31 116.41 1uqr h LEU 90 Ca 0.24 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1uqr h LEU 90 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1uqr h LEU 90 CO -0.02 1.05 -0.10 0.00 0.09 0.00 0.00 178.44 179.47 1uqr h ALA 91 N 0.97 1.49 -0.01 1.53 0.00 -0.69 -2.78 119.26 119.77 1uqr h ALA 91 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uqr h ALA 91 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1uqr h ALA 91 CO 0.10 0.36 -0.27 1.33 0.00 0.00 0.00 179.25 180.77 1uqr n VAL 92 N -4.28 0.00 -3.86 0.00 0.24 -1.03 -4.99 118.33 104.41 1uqr n VAL 92 Ca -0.00 -0.18 -0.24 0.00 -2.04 0.00 0.00 64.34 61.87 1uqr n VAL 92 Cb 0.26 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.35 -1.05 -4.21 -1.34 7.64 -1.05 -4.72 113.62 108.55 1uqr n SER 93 Ca 0.12 -0.91 -0.34 0.00 1.01 0.00 0.00 58.87 58.75 1uqr n SER 93 Cb 0.39 -3.51 -0.15 0.00 -1.01 0.00 0.00 64.21 59.92 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 -3.77 2.59 0.51 0.44 1.01 -1.25 -5.08 121.20 115.64 1uqr s ILE 94 Ca 0.07 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1uqr s ILE 94 Cb -0.04 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.25 1uqr s ILE 94 CO 0.85 0.50 1.40 -2.16 0.00 0.00 0.00 174.94 175.53 1uqr s PRO 95 N 1.20 3.34 0.07 2.79 0.04 -1.26 -4.76 135.00 136.42 1uqr s PRO 95 Ca 0.02 2.33 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 1uqr s PRO 95 Cb -0.14 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1uqr s PRO 95 CO -0.07 -1.06 0.09 -0.59 0.04 0.00 0.00 177.00 175.41 1uqr s PHE 96 N -1.25 0.31 -0.05 0.56 -0.71 -1.26 -1.25 117.98 114.32 1uqr s PHE 96 Ca 0.67 -0.78 0.06 0.00 -1.04 0.00 0.00 56.93 55.84 1uqr s PHE 96 Cb -0.42 -0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.17 1uqr s PHE 96 CO 0.52 -0.46 -0.23 -1.50 -1.34 0.00 0.00 175.22 172.21 1uqr s ILE 97 N -3.76 1.92 -0.15 -4.49 2.07 -0.57 -0.28 121.20 115.94 1uqr s ILE 97 Ca 0.05 -0.99 -0.13 0.00 -1.41 0.00 0.00 60.65 58.17 1uqr s ILE 97 Cb 0.06 -1.63 -0.05 0.00 0.13 0.00 0.00 42.46 40.97 1uqr s ILE 97 CO -0.10 0.54 0.26 -0.70 -1.91 0.00 0.00 174.94 173.02 1uqr s GLU 98 N -0.12 4.15 -0.02 3.50 2.12 -0.75 -1.37 118.70 126.21 1uqr s GLU 98 Ca -0.04 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.38 1uqr s GLU 98 Cb -0.13 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1uqr s GLU 98 CO 0.03 0.32 -0.18 0.08 -0.54 0.00 0.00 175.26 174.98 1uqr s VAL 99 N 0.22 1.42 -0.02 3.70 1.01 -0.12 -1.19 120.40 125.44 1uqr s VAL 99 Ca 0.15 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1uqr s VAL 99 Cb -0.13 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1uqr s VAL 99 CO 0.03 0.40 -0.02 -1.00 0.00 0.00 0.00 175.10 174.52 1uqr s HIS 100 N -0.40 0.34 0.06 5.22 3.76 -0.45 -4.05 115.29 119.77 1uqr s HIS 100 Ca 0.06 -0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 54.73 1uqr s HIS 100 Cb -0.07 -0.33 -0.12 0.00 1.11 0.00 0.00 32.58 33.17 1uqr s HIS 100 CO -0.01 -0.07 1.47 -0.07 -0.85 0.00 0.00 174.74 175.21 1uqr h LEU 101 N 6.68 0.31-10.37 0.89 3.38 -1.86 -2.10 115.31 112.24 1uqr h LEU 101 Ca -0.35 -0.34 -0.46 0.00 0.09 0.00 0.00 57.88 56.82 1uqr h LEU 101 Cb 1.17 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.86 1uqr h LEU 101 CO 0.49 0.58 -0.06 -0.94 0.09 0.00 0.00 178.44 178.60 1uqr s SER 102 N -5.86 5.81 -0.58 -0.43 1.04 -1.26 -1.51 113.70 110.92 1uqr s SER 102 Ca -0.14 0.34 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 1uqr s SER 102 Cb 0.06 -1.56 0.04 0.00 0.10 0.00 0.00 66.02 64.66 1uqr s SER 102 CO 0.73 -0.74 1.02 0.21 0.98 0.00 0.00 173.24 175.44 1uqr s ASN 103 N -4.23 6.34 0.59 7.02 3.84 -1.26 -1.98 114.94 125.27 1uqr s ASN 103 Ca 0.49 -0.31 0.35 0.00 0.21 0.00 0.00 52.86 53.60 1uqr s ASN 103 Cb -0.10 -2.47 1.87 0.00 -0.55 0.00 0.00 41.25 40.00 1uqr s ASN 103 CO 0.39 -1.34 2.21 -0.37 -2.79 0.00 0.00 177.10 175.19 1uqr h VAL 104 N 6.05 0.28 0.00 -5.21 -1.51 -1.91 -2.16 116.25 111.79 1uqr h VAL 104 Ca -0.26 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1uqr h VAL 104 Cb 1.07 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1uqr h VAL 104 CO 1.13 0.04 -0.07 1.41 -1.23 0.00 0.00 177.57 178.85 1uqr n HIS 105 N -3.41 0.56 -0.32 5.19 8.25 -1.26 -3.43 115.22 120.79 1uqr n HIS 105 Ca -0.02 0.16 0.09 0.00 -0.26 0.00 0.00 57.72 57.69 1uqr n HIS 105 Cb 0.16 -0.75 0.32 0.00 1.12 0.00 0.00 29.99 30.84 1uqr n HIS 105 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uqr n ALA 106 N -1.68 2.82 -2.80 -1.41 0.00 -0.81 -4.93 120.51 111.69 1uqr n ALA 106 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1uqr n ALA 106 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.19 3.95 -1.81 0.00 1.74 -1.22 -5.07 116.66 115.43 1uqr n ARG 107 Ca 0.23 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.96 1uqr n ARG 107 Cb 0.74 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.23 1uqr n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1uqr s GLU 108 N 2.52 2.69 0.43 5.56 8.01 -1.26 -4.91 118.70 131.74 1uqr s GLU 108 Ca 0.00 1.85 0.18 0.00 0.01 0.00 0.00 54.97 57.00 1uqr s GLU 108 Cb 0.00 -1.89 1.10 0.00 -4.31 0.00 0.00 34.13 29.03 1uqr s GLU 108 CO 0.00 -1.44 1.90 -1.35 0.01 0.00 0.00 175.26 174.38 1uqr h PRO 109 N 0.51 0.36 0.00 0.39 0.11 -1.95 -1.31 132.00 130.11 1uqr h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1uqr h PRO 109 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1uqr h PRO 109 CO 0.53 0.24 0.00 0.27 -0.21 0.00 0.00 178.00 178.83 1uqr h PHE 110 N 0.37 0.00 -0.01 0.65 -5.15 -1.97 -2.24 116.94 108.60 1uqr h PHE 110 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 1uqr h PHE 110 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.20 1uqr h PHE 110 CO -0.00 0.00 -0.05 0.54 -2.00 0.00 0.00 178.31 176.80 1uqr n ARG 111 N -2.53 1.04 0.13 6.09 1.74 -0.49 -3.52 116.66 119.12 1uqr n ARG 111 Ca 0.01 -0.37 0.13 0.00 -0.77 0.00 0.00 57.85 56.85 1uqr n ARG 111 Cb 0.22 -1.49 0.38 0.00 -1.02 0.00 0.00 32.46 30.54 1uqr n ARG 111 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uqr h HIS 112 N 0.90 0.00 -2.95 -1.55 3.86 -1.53 -3.44 115.15 110.44 1uqr h HIS 112 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1uqr h HIS 112 Cb 0.30 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.66 1uqr h HIS 112 CO 0.00 0.00 -0.54 -1.58 0.86 0.00 0.00 177.93 176.67 1uqr s HIS 113 N -3.14 3.40 0.01 2.45 5.65 -1.23 -5.07 115.29 117.37 1uqr s HIS 113 Ca 0.10 0.37 -0.00 0.00 0.25 0.00 0.00 55.06 55.78 1uqr s HIS 113 Cb 0.11 -1.87 -0.01 0.00 -1.18 0.00 0.00 32.58 29.63 1uqr s HIS 113 CO 0.60 0.62 -0.01 0.45 -0.65 0.00 0.00 174.74 175.75 1uqr s SER 114 N -0.99 0.12 0.00 9.88 0.15 -1.26 -4.29 113.70 117.31 1uqr s SER 114 Ca 0.15 -0.27 0.24 0.00 0.70 0.00 0.00 55.95 56.77 1uqr s SER 114 Cb -0.12 0.07 0.34 0.00 -1.71 0.00 0.00 66.02 64.61 1uqr s SER 114 CO 0.04 -0.18 1.35 -1.22 1.20 0.00 0.00 173.24 174.43 1uqr n TYR 115 N 2.23 0.27 -0.01 3.44 4.01 0.21 -4.49 117.16 122.82 1uqr n TYR 115 Ca -0.19 -0.13 -0.01 0.00 -0.16 0.00 0.00 57.90 57.41 1uqr n TYR 115 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.39 1.94 -0.34 7.72 4.77 -1.26 -4.71 117.00 126.51 1uqr n LEU 116 Ca 0.17 -0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1uqr n LEU 116 Cb 0.60 -0.03 0.32 0.00 -2.33 0.00 0.00 43.42 41.98 1uqr n LEU 116 CO 0.15 0.36 1.15 0.28 -1.33 0.00 0.00 177.39 178.01 1uqr h SER 117 N 0.00 0.66 0.90 -1.43 0.02 -1.90 -1.48 113.55 110.32 1uqr h SER 117 Ca -0.04 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1uqr h SER 117 Cb 1.08 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1uqr h SER 117 CO -0.00 0.19 0.00 -2.24 -1.14 0.00 0.00 176.83 173.64 1uqr h ASP 118 N 0.65 0.00 -0.03 3.07 -0.00 -1.87 -2.99 116.42 115.24 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 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 1uqr h ASP 118 CO -0.42 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 180.15 1uqr n VAL 119 N -2.48 0.06 -2.05 4.15 0.24 -0.61 -5.00 118.33 112.65 1uqr n VAL 119 Ca 0.02 -0.53 -0.30 0.00 -2.04 0.00 0.00 64.34 61.49 1uqr n VAL 119 Cb 0.27 1.19 0.02 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.93 3.13 0.10 2.33 0.00 -0.90 -4.83 121.76 120.66 1uqr s ALA 120 Ca 0.14 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1uqr s ALA 120 Cb 0.09 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 1uqr s ALA 120 CO 0.14 -0.72 1.42 -0.22 0.00 0.00 0.00 175.76 176.37 1uqr h LYS 121 N -0.27 0.68 -2.80 0.00 1.63 -0.96 -3.48 116.57 111.38 1uqr h LYS 121 Ca -0.45 -0.36 0.08 0.00 -0.85 0.00 0.00 60.65 59.07 1uqr h LYS 121 Cb 1.21 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.81 1uqr h LYS 121 CO 0.62 0.97 0.34 0.20 -3.45 0.00 0.00 179.45 178.14 1uqr s GLY 122 N -3.66 0.04 0.00 5.01 0.00 -1.26 -5.07 107.32 102.39 1uqr s GLY 122 Ca -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.26 1uqr s GLY 122 CO 0.82 0.18 -0.05 0.14 0.00 0.00 0.00 173.10 174.20 1uqr s VAL 123 N -3.09 0.35 -0.15 1.40 1.01 -1.26 -1.81 120.40 116.85 1uqr s VAL 123 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1uqr s VAL 123 Cb -0.04 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1uqr s VAL 123 CO 0.07 -0.01 -0.10 -0.63 0.00 0.00 0.00 175.10 174.43 1uqr s ILE 124 N -0.36 1.37 -0.03 2.22 1.01 -0.33 -4.98 121.20 120.10 1uqr s ILE 124 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1uqr s ILE 124 Cb -0.03 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1uqr s ILE 124 CO -0.00 0.31 -0.05 0.00 0.00 0.00 0.00 174.94 175.19 1uqr n GLY 126 N 3.57 0.71 1.71 0.00 0.00 -0.79 -4.72 105.19 105.67 1uqr n GLY 126 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 5.39 0.00 0.99 4.77 -1.17 -4.65 117.00 122.33 1uqr n LEU 127 Ca 0.00 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 1uqr n LEU 127 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1uqr n LEU 127 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1uqr n GLY 128 N 0.48 0.85 0.28 -0.72 0.00 -0.57 -3.18 105.19 102.34 1uqr n GLY 128 Ca 0.27 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.92 1.58 0.00 4.61 0.00 -1.94 -1.57 119.26 121.02 1uqr h ALA 129 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uqr h ALA 129 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 129 CO 0.00 0.03 -0.01 0.87 0.00 0.00 0.00 179.25 180.14 1uqr h LYS 130 N 0.00 0.00 -0.39 0.00 1.57 -1.98 -1.81 116.57 113.96 1uqr h LYS 130 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uqr h LYS 130 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1uqr h LYS 130 CO 0.00 0.01 0.24 0.78 -0.57 0.00 0.00 179.45 179.92 1uqr h GLY 131 N 0.82 0.55 1.39 3.86 0.00 -1.34 -1.41 103.07 106.93 1uqr h GLY 131 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 1uqr h GLY 131 CO 0.00 0.21 -0.31 -0.97 0.00 0.00 0.00 176.54 175.47 1uqr h TYR 132 N 0.53 0.80 -0.39 5.60 0.05 -1.52 -1.75 116.97 120.30 1uqr h TYR 132 Ca 0.14 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1uqr h TYR 132 Cb -0.04 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1uqr h TYR 132 CO 0.00 0.91 0.17 -0.44 -1.05 0.00 0.00 178.16 177.75 1uqr h ASP 133 N 0.58 0.53 -0.46 3.88 3.45 -1.35 -1.43 116.42 121.62 1uqr h ASP 133 Ca 0.07 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.29 1uqr h ASP 133 Cb 0.82 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 1uqr h ASP 133 CO 0.07 0.54 -0.00 1.88 -1.57 0.00 0.00 179.24 180.15 1uqr h TYR 134 N 0.49 0.94 -0.74 4.55 0.05 -1.26 -1.70 116.97 119.30 1uqr h TYR 134 Ca 0.13 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1uqr h TYR 134 Cb 0.17 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1uqr h TYR 134 CO -0.00 0.85 0.37 0.00 -1.05 0.00 0.00 178.16 178.33 1uqr h ALA 135 N 1.18 0.95 -0.45 3.88 0.00 -1.02 -0.72 119.26 123.08 1uqr h ALA 135 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1uqr h ALA 135 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1uqr h ALA 135 CO 0.02 0.50 0.09 1.25 0.00 0.00 0.00 179.25 181.11 1uqr h LEU 136 N 1.03 0.70 -0.60 0.00 5.85 -0.99 -0.09 115.31 121.21 1uqr h LEU 136 Ca 0.26 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1uqr h LEU 136 Cb 0.10 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1uqr h LEU 136 CO -0.03 0.77 0.33 -0.78 -0.34 0.00 0.00 178.44 178.39 1uqr h ASP 137 N 0.60 0.51 -0.33 1.25 3.58 -0.93 -1.07 116.42 120.02 1uqr h ASP 137 Ca 0.14 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1uqr h ASP 137 Cb 0.36 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1uqr h ASP 137 CO 0.01 0.34 -0.06 0.15 -2.88 0.00 0.00 179.24 176.80 1uqr h PHE 138 N 0.64 0.70 -0.26 0.28 3.57 -0.86 -1.50 116.94 119.50 1uqr h PHE 138 Ca 0.26 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1uqr h PHE 138 Cb 0.12 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1uqr h PHE 138 CO -0.08 0.78 -0.04 0.00 -2.23 0.00 0.00 178.31 176.74 1uqr h ALA 139 N 0.82 0.20 -0.49 2.41 0.00 -0.60 0.23 119.26 121.83 1uqr h ALA 139 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1uqr h ALA 139 Cb 0.54 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1uqr h ALA 139 CO 0.03 -0.45 0.27 0.82 0.00 0.00 0.00 179.25 179.92 1uqr h ILE 140 N 0.03 1.17 -0.59 0.00 2.04 -1.14 -0.46 117.51 118.56 1uqr h ILE 140 Ca 0.13 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1uqr h ILE 140 Cb 0.18 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1uqr h ILE 140 CO -0.25 0.18 0.39 0.77 0.00 0.00 0.00 178.15 179.24 1uqr h SER 141 N 0.65 0.67 -0.24 1.72 4.64 -0.70 -0.28 113.55 120.00 1uqr h SER 141 Ca 0.17 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 1uqr h SER 141 Cb 0.05 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1uqr h SER 141 CO -0.03 0.48 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.67 1uqr h GLU 142 N 0.79 0.70 0.00 4.77 4.39 -0.41 -3.05 114.58 121.78 1uqr h GLU 142 Ca 0.22 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1uqr h GLU 142 Cb -0.07 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1uqr h GLU 142 CO -0.05 1.05 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.59 1uqr h LEU 143 N 0.42 0.00 -1.35 1.33 3.38 -0.42 -1.50 115.31 117.17 1uqr h LEU 143 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1uqr h LEU 143 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1uqr h LEU 143 CO 0.09 0.19 -0.22 1.56 0.09 0.00 0.00 178.44 180.15 1uqr h GLN 144 N 0.00 0.00 -0.23 1.13 4.20 -0.96 -2.65 115.11 116.60 1uqr h GLN 144 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1uqr h GLN 144 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1uqr h GLN 144 CO 0.03 0.22 0.07 0.87 -0.67 0.00 0.00 178.83 179.35 1uqr h LYS 145 N 0.00 0.36 0.00 1.46 1.79 -1.25 -3.51 116.57 115.41 1uqr h LYS 145 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1uqr h LYS 145 Cb 0.64 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1uqr h LYS 145 CO 0.03 0.44 0.00 -0.89 -1.08 0.00 0.00 179.45 177.94