#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uzg s ASN 37 N 0.00 1.86 0.45 0.55 4.22 -1.26 -5.14 114.94 115.62 2uzg s ASN 37 Ca 0.00 -0.29 0.03 0.00 -2.14 0.00 0.00 52.86 50.46 2uzg s ASN 37 Cb 0.00 -0.80 -0.01 0.00 1.28 0.00 0.00 41.25 41.72 2uzg s ASN 37 CO 0.00 -0.03 0.11 1.57 -2.04 0.00 0.00 177.10 176.70 2uzg n HIS 38 N 4.27 0.45 -3.63 1.54 -0.00 -1.26 -5.14 115.22 111.44 2uzg n HIS 38 Ca -0.19 -2.66 -0.37 0.00 0.46 0.00 0.00 57.72 54.96 2uzg n HIS 38 Cb 0.51 -0.10 -0.07 0.00 -0.12 0.00 0.00 29.99 30.21 2uzg n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2uzg h PRO 40 N 5.71 0.46 -0.50 0.00 0.13 -2.01 -1.06 132.00 134.73 2uzg h PRO 40 Ca -0.48 -0.17 0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2uzg h PRO 40 Cb 1.20 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 2uzg h PRO 40 CO 0.67 0.68 -0.37 0.45 -0.23 0.00 0.00 178.00 179.20 2uzg h HIS 41 N 0.21 -1.05 -0.01 1.56 3.86 -1.99 -0.69 115.15 117.04 2uzg h HIS 41 Ca 0.06 0.07 -0.19 0.00 -1.16 0.00 0.00 60.37 59.15 2uzg h HIS 41 Cb 0.50 0.53 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2uzg h HIS 41 CO 0.05 -0.40 -0.82 1.37 0.86 0.00 0.00 177.93 178.98 2uzg h LEU 42 N -0.23 0.27 -2.54 2.43 8.10 -1.91 -3.08 115.31 118.35 2uzg h LEU 42 Ca 0.19 -0.20 0.01 0.00 0.11 0.00 0.00 57.88 57.99 2uzg h LEU 42 Cb 0.56 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2uzg h LEU 42 CO -0.63 0.98 0.12 -0.78 -4.11 0.00 0.00 178.44 174.02 2uzg h ASP 43 N 0.13 0.00 0.09 0.17 3.58 0.20 -2.33 116.42 118.26 2uzg h ASP 43 Ca -0.04 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.10 2uzg h ASP 43 Cb 1.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.46 2uzg h ASP 43 CO 0.13 0.00 -1.71 0.77 -2.88 0.00 0.00 179.24 175.54 2uzg h SER 44 N 0.00 0.31 -3.55 2.28 4.64 -1.12 -3.47 113.55 112.64 2uzg h SER 44 Ca 0.02 -0.82 -0.52 0.00 -0.47 0.00 0.00 61.79 60.00 2uzg h SER 44 Cb 0.26 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2uzg h SER 44 CO -0.00 1.73 0.55 0.68 -0.87 0.00 0.00 176.83 178.92 2uzg s VAL 45 N -2.50 3.52 0.00 0.95 -7.23 -0.88 -4.96 120.40 109.30 2uzg s VAL 45 Ca -0.23 1.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 2uzg s VAL 45 Cb 0.06 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2uzg s VAL 45 CO 0.73 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 176.36 2uzg n GLY 46 N 1.98 1.06 3.55 2.32 0.00 -1.26 -4.86 105.19 107.98 2uzg n GLY 46 Ca 0.03 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 2uzg n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uzg s GLU 47 N 0.60 1.84 0.10 1.61 2.12 -1.26 -4.44 118.70 119.26 2uzg s GLU 47 Ca 0.00 -1.94 0.04 0.00 0.36 0.00 0.00 54.97 53.44 2uzg s GLU 47 Cb 0.00 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 2uzg s GLU 47 CO 0.00 0.13 0.04 0.42 -0.54 0.00 0.00 175.26 175.31 2uzg s ILE 48 N -2.61 4.25 0.65 -3.70 1.01 -1.26 -4.66 121.20 114.88 2uzg s ILE 48 Ca 0.33 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2uzg s ILE 48 Cb 0.03 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2uzg s ILE 48 CO 0.17 0.09 1.04 0.42 0.00 0.00 0.00 174.94 176.66 2uzg s THR 49 N -1.40 4.48 0.42 2.92 -4.23 -1.26 -4.90 115.64 111.67 2uzg s THR 49 Ca 0.28 0.80 0.09 0.00 -1.18 0.00 0.00 61.69 61.68 2uzg s THR 49 Cb -0.12 -3.71 0.23 0.00 1.34 0.00 0.00 72.50 70.25 2uzg s THR 49 CO 0.20 -1.05 2.03 0.11 -0.54 0.00 0.00 174.62 175.37 2uzg h LYS 50 N -0.46 0.38 -0.60 3.99 1.79 -1.99 -1.73 116.57 117.94 2uzg h LYS 50 Ca -0.44 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 2uzg h LYS 50 Cb 1.20 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 2uzg h LYS 50 CO 0.60 0.31 0.35 1.49 -1.08 0.00 0.00 179.45 181.12 2uzg h GLU 51 N 0.38 0.83 -0.19 3.15 4.22 -1.99 0.37 114.58 121.34 2uzg h GLU 51 Ca 0.10 -0.08 -0.20 0.00 0.08 0.00 0.00 59.36 59.25 2uzg h GLU 51 Cb 0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2uzg h GLU 51 CO -0.01 0.61 -0.68 -0.44 -2.18 0.00 0.00 179.01 176.31 2uzg h ASP 52 N 0.81 0.86 0.42 1.04 5.19 -1.81 -3.20 116.42 119.74 2uzg h ASP 52 Ca 0.21 -0.52 -0.14 0.00 -0.62 0.00 0.00 57.03 55.96 2uzg h ASP 52 Cb 0.01 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 2uzg h ASP 52 CO -0.04 1.31 -0.59 -0.07 -3.12 0.00 0.00 179.24 176.73 2uzg h LEU 53 N 0.54 0.19 -0.71 1.55 3.38 -1.10 -3.11 115.31 116.05 2uzg h LEU 53 Ca -0.02 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2uzg h LEU 53 Cb 1.29 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 2uzg h LEU 53 CO 0.14 0.74 0.38 -0.29 0.09 0.00 0.00 178.44 179.49 2uzg h ILE 54 N 0.13 0.90 -0.42 1.22 6.09 -0.26 0.43 117.51 125.59 2uzg h ILE 54 Ca -0.00 -0.23 -0.14 0.00 -1.37 0.00 0.00 64.86 63.12 2uzg h ILE 54 Cb 1.07 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 2uzg h ILE 54 CO 0.09 0.12 -0.27 1.56 -3.07 0.00 0.00 178.15 176.57 2uzg h GLN 55 N 0.66 0.91 -0.12 2.19 4.20 -1.61 -2.81 115.11 118.52 2uzg h GLN 55 Ca 0.34 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2uzg h GLN 55 Cb 0.31 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2uzg h GLN 55 CO -0.24 1.07 -0.35 0.87 -0.67 0.00 0.00 178.83 179.51 2uzg h LYS 56 N 0.77 0.24 0.00 1.46 1.57 -1.25 -2.24 116.57 117.13 2uzg h LYS 56 Ca 0.09 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2uzg h LYS 56 Cb 0.84 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2uzg h LYS 56 CO 0.07 0.57 0.00 -1.13 -0.57 0.00 0.00 179.45 178.39 2uzg n SER 57 N -4.08 0.43 0.30 0.86 3.41 0.14 -2.86 113.62 111.82 2uzg n SER 57 Ca -0.01 0.59 0.20 0.00 -0.26 0.00 0.00 58.87 59.39 2uzg n SER 57 Cb 0.43 -0.69 1.00 0.00 -0.26 0.00 0.00 64.21 64.70 2uzg n SER 57 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2uzg h LEU 58 N 0.00 0.00 -1.45 1.04 3.38 -1.22 -3.46 115.31 113.60 2uzg h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uzg h LEU 58 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2uzg h LEU 58 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2uzg n GLY 59 N -0.83 0.50 3.02 0.83 0.00 -1.14 -4.88 105.19 102.70 2uzg n GLY 59 Ca -0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2uzg n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uzg s THR 60 N -2.54 -0.01 0.07 2.61 -4.23 -1.26 -1.11 115.64 109.17 2uzg s THR 60 Ca 0.00 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 2uzg s THR 60 Cb 0.00 -0.23 -0.06 0.00 1.34 0.00 0.00 72.50 73.55 2uzg s THR 60 CO 0.00 0.01 0.67 0.00 -0.54 0.00 0.00 174.62 174.76 2uzg h GLN 62 N 4.98 0.10 0.04 0.00 4.20 -1.62 -3.35 115.11 119.46 2uzg h GLN 62 Ca -0.47 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.12 2uzg h GLN 62 Cb 1.21 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2uzg h GLN 62 CO 0.67 0.93 -0.02 -0.44 -0.67 0.00 0.00 178.83 179.31 2uzg h ASP 63 N 0.05 -0.04 -2.52 1.46 5.19 -1.94 -3.49 116.42 115.13 2uzg h ASP 63 Ca -0.03 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 2uzg h ASP 63 Cb 1.57 0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2uzg h ASP 63 CO 0.13 0.72 0.00 0.00 -3.12 0.00 0.00 179.24 176.97 2uzg n LYS 65 N 0.00 2.20 -0.06 0.00 5.02 -1.26 -3.94 118.16 120.11 2uzg n LYS 65 Ca 0.00 -4.56 -0.05 0.00 -2.02 0.00 0.00 58.31 51.68 2uzg n LYS 65 Cb 0.00 -2.29 -0.12 0.00 -0.02 0.00 0.00 35.03 32.60 2uzg n LYS 65 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2uzg n VAL 66 N 1.57 0.87 -1.48 -0.18 0.24 -1.26 -5.02 118.33 113.07 2uzg n VAL 66 Ca 0.24 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2uzg n VAL 66 Cb 0.37 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 2uzg n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2uzg n GLN 67 N -2.48 -3.89 0.00 7.34 6.02 -1.26 -4.98 117.38 118.14 2uzg n GLN 67 Ca -0.21 3.02 0.00 0.00 -0.01 0.00 0.00 57.00 59.80 2uzg n GLN 67 Cb 0.90 -3.78 0.00 0.00 1.02 0.00 0.00 30.24 28.39 2uzg n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uzg n GLY 68 N -2.54 -1.44 0.00 1.08 0.00 -0.27 -4.90 105.19 97.13 2uzg n GLY 68 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2uzg n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uzg n PRO 69 N -0.53 -0.29 -2.79 1.61 -0.02 -1.26 -5.03 135.00 126.69 2uzg n PRO 69 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2uzg n PRO 69 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.53 2uzg n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2uzg n ASN 70 N -1.91 -5.63 -4.53 2.55 4.13 -1.26 -5.04 115.26 103.57 2uzg n ASN 70 Ca 0.00 -0.46 -0.33 0.00 1.68 0.00 0.00 54.58 55.47 2uzg n ASN 70 Cb 0.00 -4.08 -0.12 0.00 -1.54 0.00 0.00 39.78 34.04 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2uzg s LEU 71 N -4.61 2.95 -0.20 3.41 1.43 -1.26 -4.39 118.68 116.01 2uzg s LEU 71 Ca 0.30 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2uzg s LEU 71 Cb -0.04 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2uzg s LEU 71 CO 0.56 0.33 -0.10 0.26 0.23 0.00 0.00 176.35 177.62 2uzg s TRP 72 N -0.83 2.88 -0.01 0.29 0.52 -0.03 -1.08 118.94 120.68 2uzg s TRP 72 Ca 0.13 -1.17 0.01 0.00 0.02 0.00 0.00 56.10 55.09 2uzg s TRP 72 Cb -0.11 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 2uzg s TRP 72 CO 0.03 -0.62 0.01 0.00 0.02 0.00 0.00 176.95 176.38 2uzg s ALA 73 N 1.34 3.30 0.48 0.98 0.00 -0.73 -1.25 121.76 125.89 2uzg s ALA 73 Ca 0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 2uzg s ALA 73 Cb -0.14 -1.38 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 2uzg s ALA 73 CO -0.06 0.64 1.36 0.00 0.00 0.00 0.00 175.76 177.70 2uzg n LEU 75 N -0.39 0.55 -4.65 0.00 7.94 -0.57 -4.69 117.00 115.18 2uzg n LEU 75 Ca 0.08 -0.05 -0.46 0.00 -1.11 0.00 0.00 56.01 54.46 2uzg n LEU 75 Cb 0.42 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 44.28 2uzg n LEU 75 CO 0.57 0.04 0.98 -0.62 -1.11 0.00 0.00 177.39 177.25 2uzg n GLU 76 N -2.02 1.85 -0.35 1.96 4.71 -1.25 -4.33 120.64 121.22 2uzg n GLU 76 Ca 0.01 0.66 -0.03 0.00 -0.01 0.00 0.00 57.16 57.79 2uzg n GLU 76 Cb 0.46 -2.30 0.10 0.00 -1.01 0.00 0.00 31.44 28.68 2uzg n GLU 76 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2uzg h ASN 77 N 4.31 1.09 1.16 1.62 -1.24 -1.83 -2.06 115.58 118.64 2uzg h ASN 77 Ca -0.45 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.52 2uzg h ASN 77 Cb 1.29 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2uzg h ASN 77 CO 0.77 0.81 -0.39 0.03 -1.29 0.00 0.00 177.43 177.35 2uzg h ARG 78 N 1.27 0.00 -4.99 6.67 3.08 -1.92 -3.44 114.38 115.05 2uzg h ARG 78 Ca 0.34 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.73 2uzg h ARG 78 Cb -0.11 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 29.67 2uzg h ARG 78 CO -0.07 0.00 -0.72 0.00 -1.07 0.00 0.00 179.97 178.11 2uzg n SER 80 N 4.80 4.15 -4.81 0.00 7.64 -1.26 -3.79 113.62 120.35 2uzg n SER 80 Ca -0.18 -3.42 -0.34 0.00 1.01 0.00 0.00 58.87 55.94 2uzg n SER 80 Cb 0.51 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2uzg s TYR 81 N -3.58 3.39 -0.23 1.43 1.51 -1.26 -4.89 117.35 113.72 2uzg s TYR 81 Ca 0.45 1.65 -0.07 0.00 -1.01 0.00 0.00 57.07 58.09 2uzg s TYR 81 Cb 0.40 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 2uzg s TYR 81 CO -0.03 -0.08 0.06 0.08 -1.11 0.00 0.00 175.55 174.47 2uzg s VAL 82 N -2.03 4.36 0.18 0.71 1.01 -1.26 -1.83 120.40 121.54 2uzg s VAL 82 Ca 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2uzg s VAL 82 Cb -0.12 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2uzg s VAL 82 CO 0.16 0.38 0.05 -0.83 0.00 0.00 0.00 175.10 174.86 2uzg s GLY 83 N 1.25 1.28 -0.07 4.51 0.00 -0.38 -1.43 107.32 112.48 2uzg s GLY 83 Ca 0.04 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 2uzg s GLY 83 CO 0.03 -1.47 -0.01 0.00 0.00 0.00 0.00 173.10 171.65 2uzg n GLY 85 N 2.04 -2.84 0.33 0.00 0.00 -1.26 0.57 105.19 104.03 2uzg n GLY 85 Ca -0.18 -1.45 0.19 0.00 0.00 0.00 0.00 46.02 44.59 2uzg n GLY 85 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2uzg h GLU 86 N 0.00 0.00 0.00 1.61 4.81 -1.89 0.25 114.58 119.36 2uzg h GLU 86 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2uzg h GLU 86 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2uzg h GLU 86 CO 0.17 0.00 0.00 1.03 -0.73 0.00 0.00 179.01 179.48 2uzg h SER 87 N 0.00 0.00 0.00 1.04 0.87 -1.94 -3.37 113.55 110.15 2uzg h SER 87 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2uzg h SER 87 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2uzg h SER 87 CO -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2uzg n GLN 88 N -2.80 0.00 -0.57 2.24 6.02 -0.25 -4.98 117.38 117.03 2uzg n GLN 88 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2uzg n GLN 88 Cb 0.11 -0.18 -0.00 0.00 1.02 0.00 0.00 30.24 31.18 2uzg n GLN 88 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2uzg n VAL 89 N -2.87 0.00 -2.56 5.09 0.31 -0.85 -5.00 118.33 112.45 2uzg n VAL 89 Ca 0.00 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.22 2uzg n VAL 89 Cb 0.00 0.33 -0.00 0.00 -0.91 0.00 0.00 33.84 33.26 2uzg n VAL 89 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2uzg n ASP 90 N 0.03 -1.98 -0.24 4.52 5.75 0.72 -4.76 116.55 120.58 2uzg n ASP 90 Ca -0.01 0.34 0.10 0.00 -0.01 0.00 0.00 54.79 55.21 2uzg n ASP 90 Cb 0.64 -1.78 0.37 0.00 -1.03 0.00 0.00 41.12 39.32 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2uzg h HIS 91 N -0.05 0.81 -0.51 2.11 3.86 -0.04 0.80 115.15 122.13 2uzg h HIS 91 Ca -0.12 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2uzg h HIS 91 Cb 1.08 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.27 2uzg h HIS 91 CO 0.83 0.34 0.25 1.03 0.86 0.00 0.00 177.93 181.24 2uzg h SER 92 N 0.72 0.63 0.11 2.45 0.87 -1.62 0.13 113.55 116.84 2uzg h SER 92 Ca 0.41 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 2uzg h SER 92 Cb 0.57 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2uzg h SER 92 CO -0.17 0.54 -0.05 0.74 -0.53 0.00 0.00 176.83 177.35 2uzg h THR 93 N 0.71 1.10 -0.18 2.23 2.02 -1.15 -0.83 112.91 116.82 2uzg h THR 93 Ca 0.18 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.26 2uzg h THR 93 Cb 0.07 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2uzg h THR 93 CO -0.03 0.26 0.01 0.40 0.37 0.00 0.00 175.52 176.54 2uzg h ILE 94 N -0.70 0.90 -0.94 3.11 2.04 -1.17 -1.42 117.51 119.32 2uzg h ILE 94 Ca -0.01 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2uzg h ILE 94 Cb 0.53 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2uzg h ILE 94 CO 0.02 0.01 0.62 -0.74 0.00 0.00 0.00 178.15 178.06 2uzg h HIS 95 N 0.08 1.14 -0.75 1.37 2.76 -0.82 -0.24 115.15 118.69 2uzg h HIS 95 Ca 0.08 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2uzg h HIS 95 Cb 0.09 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.62 2uzg h HIS 95 CO -0.15 0.66 0.47 1.03 -1.30 0.00 0.00 177.93 178.64 2uzg h SER 96 N 1.17 0.77 -0.04 3.26 0.87 -0.19 -1.67 113.55 117.73 2uzg h SER 96 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 2uzg h SER 96 Cb 0.02 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2uzg h SER 96 CO -0.12 0.53 -0.05 1.56 -0.53 0.00 0.00 176.83 178.23 2uzg h GLN 97 N 0.92 0.10 -0.57 2.24 7.50 -0.41 0.84 115.11 125.72 2uzg h GLN 97 Ca 0.30 -0.06 0.12 0.00 0.50 0.00 0.00 58.65 59.51 2uzg h GLN 97 Cb 0.03 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.47 2uzg h GLN 97 CO -0.12 0.60 -0.02 0.93 -1.50 0.00 0.00 178.83 178.72 2uzg h GLU 98 N -0.40 0.09 -0.56 1.46 4.39 -0.85 -1.67 114.58 117.04 2uzg h GLU 98 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2uzg h GLU 98 Cb 0.59 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -1.16 0.00 0.00 179.01 178.17 2uzg n THR 99 N -5.28 1.12 -1.72 1.13 -2.24 -0.65 -4.94 114.28 101.70 2uzg n THR 99 Ca 0.07 -1.05 -0.19 0.00 -2.27 0.00 0.00 64.05 60.62 2uzg n THR 99 Cb 0.32 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 2uzg n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2uzg n LYS 100 N 1.09 -1.49 -2.82 -0.78 4.76 0.18 -4.90 118.16 114.19 2uzg n LYS 100 Ca 0.20 1.08 -0.43 0.00 -2.87 0.00 0.00 58.31 56.29 2uzg n LYS 100 Cb 0.58 -5.49 -0.03 0.00 -1.84 0.00 0.00 35.03 28.25 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2uzg s HIS 101 N -2.68 2.75 -0.78 2.13 3.76 0.24 -4.86 115.29 115.86 2uzg s HIS 101 Ca 0.00 -0.78 0.07 0.00 -0.15 0.00 0.00 55.06 54.20 2uzg s HIS 101 Cb 0.00 -4.36 0.37 0.00 1.11 0.00 0.00 32.58 29.71 2uzg s HIS 101 CO 0.00 -1.67 1.10 0.66 -0.85 0.00 0.00 174.74 173.98 2uzg n TYR 102 N 7.63 0.92 -4.00 1.40 4.01 -1.26 -4.10 117.16 121.76 2uzg n TYR 102 Ca 0.08 -0.33 -0.30 0.00 -0.16 0.00 0.00 57.90 57.20 2uzg n TYR 102 Cb 0.47 -0.26 -0.16 0.00 -0.31 0.00 0.00 39.34 39.07 2uzg n TYR 102 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2uzg s LEU 103 N -1.25 1.66 0.00 7.72 2.01 -1.26 -0.44 118.68 127.12 2uzg s LEU 103 Ca 0.25 -0.49 0.03 0.00 0.01 0.00 0.00 54.13 53.92 2uzg s LEU 103 Cb 0.19 -1.13 -0.01 0.00 0.01 0.00 0.00 46.19 45.25 2uzg s LEU 103 CO 0.08 -0.07 -0.08 0.28 1.01 0.00 0.00 176.35 177.57 2uzg s THR 104 N 1.51 0.63 -0.23 5.49 -1.32 -0.81 -1.52 115.64 119.39 2uzg s THR 104 Ca 0.04 -0.48 0.02 0.00 -1.21 0.00 0.00 61.69 60.07 2uzg s THR 104 Cb -0.13 -0.56 0.05 0.00 -1.51 0.00 0.00 72.50 70.35 2uzg s THR 104 CO -0.10 0.08 -0.13 0.54 -2.21 0.00 0.00 174.62 172.79 2uzg s VAL 105 N -0.40 2.10 -0.08 5.08 0.11 0.57 0.34 120.40 128.12 2uzg s VAL 105 Ca 0.01 -1.39 -0.30 0.00 -2.93 0.00 0.00 61.98 57.37 2uzg s VAL 105 Cb -0.04 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 2uzg s VAL 105 CO -0.00 0.15 1.53 0.54 -3.33 0.00 0.00 175.10 173.99 2uzg s ASN 106 N 1.18 6.76 0.00 3.54 2.20 0.78 -1.77 114.94 127.62 2uzg s ASN 106 Ca -0.04 2.08 0.18 0.00 -0.94 0.00 0.00 52.86 54.14 2uzg s ASN 106 Cb -0.18 -2.54 0.82 0.00 -2.00 0.00 0.00 41.25 37.35 2uzg s ASN 106 CO -0.08 -0.87 1.57 0.18 -2.94 0.00 0.00 177.10 174.97 2uzg n LEU 107 N 6.84 0.00 0.03 3.54 4.77 -0.24 0.39 117.00 132.33 2uzg n LEU 107 Ca 0.16 0.43 -0.19 0.00 -0.03 0.00 0.00 56.01 56.38 2uzg n LEU 107 Cb 0.43 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 2uzg n LEU 107 CO 0.60 -0.17 0.16 0.74 -1.33 0.00 0.00 177.39 177.39 2uzg h THR 108 N 0.00 1.39 -0.01 -5.08 2.02 -1.90 -3.37 112.91 105.97 2uzg h THR 108 Ca 0.00 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.97 2uzg h THR 108 Cb 0.26 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2uzg h THR 108 CO 0.00 0.65 0.00 0.41 0.37 0.00 0.00 175.52 176.95 2uzg n THR 109 N -4.09 0.25 -2.77 3.16 -1.04 -1.18 -4.99 114.28 103.62 2uzg n THR 109 Ca -0.11 -0.63 -0.21 0.00 -2.04 0.00 0.00 64.05 61.06 2uzg n THR 109 Cb 0.77 0.89 0.01 0.00 -1.82 0.00 0.00 70.33 70.18 2uzg n THR 109 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2uzg n LEU 110 N -0.05 -2.26 -4.76 -4.42 4.77 0.16 -4.98 117.00 105.46 2uzg n LEU 110 Ca 0.01 -0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.52 2uzg n LEU 110 Cb 0.09 -2.88 -0.07 0.00 -2.33 0.00 0.00 43.42 38.23 2uzg n LEU 110 CO 0.01 0.04 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.70 2uzg s ARG 111 N -5.44 2.85 0.08 3.23 0.52 -1.11 -4.89 118.95 114.19 2uzg s ARG 111 Ca 0.18 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 2uzg s ARG 111 Cb -0.08 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 2uzg s ARG 111 CO 0.22 0.57 0.07 0.08 0.02 0.00 0.00 175.30 176.26 2uzg s VAL 112 N -1.35 4.46 0.02 3.52 1.01 -1.09 -0.16 120.40 126.82 2uzg s VAL 112 Ca 0.28 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2uzg s VAL 112 Cb -0.12 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2uzg s VAL 112 CO 0.20 0.12 -0.11 0.86 0.00 0.00 0.00 175.10 176.17 2uzg s TRP 113 N -1.38 0.99 -0.27 5.22 -0.11 0.15 -0.21 118.94 123.34 2uzg s TRP 113 Ca 0.29 -0.28 -0.02 0.00 1.22 0.00 0.00 56.10 57.31 2uzg s TRP 113 Cb -0.12 -0.61 0.04 0.00 -1.50 0.00 0.00 33.47 31.27 2uzg s TRP 113 CO 0.21 -0.00 -0.02 0.00 -4.62 0.00 0.00 176.95 172.52 2uzg h TYR 115 N 8.02 0.90 0.27 0.00 0.99 -1.02 0.18 116.97 126.30 2uzg h TYR 115 Ca -0.27 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.19 2uzg h TYR 115 Cb 1.09 -0.19 0.00 0.00 1.00 0.00 0.00 36.73 38.63 2uzg h TYR 115 CO 0.60 1.02 -0.13 0.00 -0.00 0.00 0.00 178.16 179.64 2uzg h ALA 116 N 0.74 -0.36 -0.01 3.88 0.00 -1.95 -2.62 119.26 118.95 2uzg h ALA 116 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2uzg h ALA 116 Cb 0.84 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2uzg h ALA 116 CO 0.07 -0.68 -0.45 0.00 0.00 0.00 0.00 179.25 178.19 2uzg n SER 118 N -4.01 -2.65 -3.36 0.00 7.64 0.55 -5.05 113.62 106.75 2uzg n SER 118 Ca -0.02 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2uzg n SER 118 Cb 0.47 -1.78 0.01 0.00 -1.01 0.00 0.00 64.21 61.91 2uzg n SER 118 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2uzg n LYS 119 N -1.92 0.32 -3.25 1.43 -0.00 -0.73 -5.03 118.16 108.99 2uzg n LYS 119 Ca -0.05 -0.94 -0.37 0.00 -0.00 0.00 0.00 58.31 56.95 2uzg n LYS 119 Cb 0.54 1.40 -0.06 0.00 -0.00 0.00 0.00 35.03 36.91 2uzg n LYS 119 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2uzg s GLU 120 N -2.03 4.18 0.19 -1.58 2.12 -1.26 -0.43 118.70 119.89 2uzg s GLU 120 Ca 0.25 0.72 0.05 0.00 0.36 0.00 0.00 54.97 56.35 2uzg s GLU 120 Cb -0.01 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 2uzg s GLU 120 CO 0.02 0.55 -0.08 0.14 -0.54 0.00 0.00 175.26 175.35 2uzg s VAL 121 N -1.27 1.23 -0.08 3.70 -7.23 0.71 -4.84 120.40 112.62 2uzg s VAL 121 Ca 0.34 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 2uzg s VAL 121 Cb -0.18 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 2uzg s VAL 121 CO 0.20 -0.58 -0.22 0.72 -0.31 0.00 0.00 175.10 174.91 2uzg s PHE 122 N -3.29 2.35 0.58 2.82 -0.12 -1.26 -2.67 117.98 116.39 2uzg s PHE 122 Ca 0.22 -0.88 -0.19 0.00 -0.05 0.00 0.00 56.93 56.03 2uzg s PHE 122 Cb 0.03 -1.58 -0.04 0.00 -0.63 0.00 0.00 43.02 40.80 2uzg s PHE 122 CO 0.04 -0.34 1.16 -0.51 -0.05 0.00 0.00 175.22 175.53 2uzg s LEU 123 N 0.24 3.68 -0.09 -1.99 1.43 -1.26 -4.94 118.68 115.75 2uzg s LEU 123 Ca -0.14 2.26 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 2uzg s LEU 123 Cb -0.16 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 2uzg s LEU 123 CO 0.07 -1.43 1.47 -1.81 0.23 0.00 0.00 176.35 174.88 2uzg s ASP 124 N -1.75 6.80 -0.17 2.29 1.11 -1.26 -4.89 116.67 118.80 2uzg s ASP 124 Ca 0.74 2.01 0.14 0.00 0.18 0.00 0.00 52.55 55.63 2uzg s ASP 124 Cb -0.27 -2.54 -0.24 0.00 1.07 0.00 0.00 42.92 40.95 2uzg s ASP 124 CO 0.31 -0.83 0.19 -1.14 1.18 0.00 0.00 175.17 174.87 2uzg n ARG 125 N 6.68 0.68 -2.00 8.23 0.63 -1.26 -4.86 116.66 124.74 2uzg n ARG 125 Ca 0.15 0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.75 2uzg n ARG 125 Cb 0.44 -1.59 -0.03 0.00 0.45 0.00 0.00 32.46 31.73 2uzg n ARG 125 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2uzg s LYS 126 N -2.52 3.17 0.78 -0.14 2.20 -1.26 -4.98 119.74 116.98 2uzg s LYS 126 Ca -0.12 1.25 -0.10 0.00 -0.36 0.00 0.00 55.97 56.64 2uzg s LYS 126 Cb 0.07 -4.24 0.17 0.00 -1.51 0.00 0.00 37.83 32.32 2uzg s LYS 126 CO 0.81 -2.06 1.06 1.47 -0.36 0.00 0.00 175.35 176.26 2uzg n LEU 127 N 10.90 0.00 0.00 5.43 -0.00 -1.26 -4.91 117.00 127.15 2uzg n LEU 127 Ca 0.23 -1.41 0.00 0.00 -0.00 0.00 0.00 56.01 54.82 2uzg n LEU 127 Cb 0.48 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2uzg n LEU 127 CO 0.69 -1.20 0.00 0.61 -0.00 0.00 0.00 177.39 177.49 2uzg n GLY 128 N -2.21 2.36 0.08 1.47 0.00 -1.26 -4.96 105.19 100.66 2uzg n GLY 128 Ca 0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2uzg n GLY 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2uzg h THR 129 N 0.00 1.12 0.00 2.61 1.35 -2.04 -3.58 112.91 112.37 2uzg h THR 129 Ca 0.00 -2.91 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 2uzg h THR 129 Cb 0.00 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2uzg h THR 129 CO 0.00 0.67 0.00 0.00 -0.25 0.00 0.00 175.52 175.94