#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uzg n ASN 37 N 0.00 -3.57 -4.67 0.55 5.15 -1.26 -5.05 115.26 106.41 2uzg n ASN 37 Ca 0.00 1.35 -0.23 0.00 -0.60 0.00 0.00 54.58 55.10 2uzg n ASN 37 Cb 0.00 -5.19 -0.07 0.00 -0.53 0.00 0.00 39.78 33.99 2uzg n ASN 37 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2uzg s HIS 38 N -1.06 2.71 0.29 1.20 2.46 -1.26 -5.09 115.29 114.54 2uzg s HIS 38 Ca -0.16 -0.27 -0.30 0.00 0.47 0.00 0.00 55.06 54.80 2uzg s HIS 38 Cb 0.01 -1.33 -0.11 0.00 -0.13 0.00 0.00 32.58 31.02 2uzg s HIS 38 CO 0.77 0.54 1.54 0.00 -2.47 0.00 0.00 174.74 175.12 2uzg h PRO 40 N 4.64 0.49 -0.50 0.00 0.13 -1.98 -1.33 132.00 133.45 2uzg h PRO 40 Ca -0.47 -0.22 0.09 0.00 -0.87 0.00 0.00 66.00 64.52 2uzg h PRO 40 Cb 1.22 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2uzg h PRO 40 CO 0.77 0.77 -0.37 0.45 -0.23 0.00 0.00 178.00 179.39 2uzg h HIS 41 N 0.20 -1.06 -0.07 1.56 3.86 -1.99 0.49 115.15 118.13 2uzg h HIS 41 Ca 0.05 0.07 -0.22 0.00 -1.16 0.00 0.00 60.37 59.11 2uzg h HIS 41 Cb 0.64 0.54 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2uzg h HIS 41 CO 0.07 -0.40 -0.84 1.37 0.86 0.00 0.00 177.93 178.99 2uzg h LEU 42 N -0.23 0.69 -2.53 2.43 8.10 -1.94 -3.09 115.31 118.74 2uzg h LEU 42 Ca 0.19 -0.49 0.01 0.00 0.11 0.00 0.00 57.88 57.70 2uzg h LEU 42 Cb 0.56 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 2uzg h LEU 42 CO -0.62 1.27 0.13 -0.78 -4.11 0.00 0.00 178.44 174.32 2uzg h ASP 43 N 0.36 0.00 0.14 0.17 -0.00 -0.18 -2.09 116.42 114.83 2uzg h ASP 43 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 56.69 2uzg h ASP 43 Cb 1.45 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.79 2uzg h ASP 43 CO 0.16 0.00 -1.35 -1.28 -0.00 0.00 0.00 179.24 176.76 2uzg h SER 44 N 0.00 0.47 -3.02 2.28 0.87 -0.86 -3.47 113.55 109.81 2uzg h SER 44 Ca 0.02 -0.89 -0.33 0.00 -1.23 0.00 0.00 61.79 59.36 2uzg h SER 44 Cb 0.27 -0.15 0.16 0.00 -0.44 0.00 0.00 62.40 62.24 2uzg h SER 44 CO -0.00 1.61 0.08 1.33 -0.53 0.00 0.00 176.83 179.32 2uzg n VAL 45 N -3.90 0.00 -2.92 2.23 0.24 -0.78 -4.98 118.33 108.22 2uzg n VAL 45 Ca -0.22 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 2uzg n VAL 45 Cb 0.93 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 2uzg n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uzg n GLY 46 N -3.61 6.87 3.50 7.63 0.00 -1.25 -4.87 105.19 113.46 2uzg n GLY 46 Ca 0.13 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 1.08 1.99 0.13 1.61 2.12 -1.26 -4.47 118.70 119.89 2uzg s GLU 47 Ca 0.00 -1.06 -0.06 0.00 0.36 0.00 0.00 54.97 54.21 2uzg s GLU 47 Cb 0.00 -2.20 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 2uzg s GLU 47 CO 0.00 0.51 0.39 0.42 -0.54 0.00 0.00 175.26 176.04 2uzg s ILE 48 N -1.08 5.14 0.66 -3.70 1.01 -1.26 -4.88 121.20 117.10 2uzg s ILE 48 Ca 0.17 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2uzg s ILE 48 Cb -0.11 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2uzg s ILE 48 CO 0.09 0.10 1.05 0.42 0.00 0.00 0.00 174.94 176.60 2uzg s THR 49 N -1.59 4.33 0.45 2.92 -4.23 -1.26 -4.89 115.64 111.36 2uzg s THR 49 Ca 0.39 0.76 0.12 0.00 -1.18 0.00 0.00 61.69 61.77 2uzg s THR 49 Cb -0.12 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.33 2uzg s THR 49 CO 0.22 -0.99 2.04 0.11 -0.54 0.00 0.00 174.62 175.47 2uzg h LYS 50 N -0.54 0.20 -0.50 3.99 1.57 -1.98 -1.89 116.57 117.41 2uzg h LYS 50 Ca -0.44 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2uzg h LYS 50 Cb 1.20 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2uzg h LYS 50 CO 0.59 0.21 0.31 1.49 -0.57 0.00 0.00 179.45 181.49 2uzg h GLU 51 N 0.20 0.68 -0.10 3.15 4.81 -2.00 0.15 114.58 121.47 2uzg h GLU 51 Ca 0.05 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2uzg h GLU 51 Cb 0.13 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2uzg h GLU 51 CO 0.00 0.48 -0.32 -0.44 -0.73 0.00 0.00 179.01 178.01 2uzg h ASP 52 N 0.67 0.46 0.00 1.04 3.32 -1.83 -3.21 116.42 116.87 2uzg h ASP 52 Ca 0.18 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2uzg h ASP 52 Cb -0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2uzg h ASP 52 CO -0.04 0.98 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.31 2uzg h LEU 53 N -0.04 0.19 -0.84 1.55 3.38 -1.25 -2.72 115.31 115.58 2uzg h LEU 53 Ca -0.01 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.05 2uzg h LEU 53 Cb 0.94 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 2uzg h LEU 53 CO 0.07 0.31 0.46 -0.29 0.09 0.00 0.00 178.44 179.07 2uzg h ILE 54 N 0.20 0.81 -0.38 1.22 6.09 -0.69 0.85 117.51 125.62 2uzg h ILE 54 Ca 0.04 -0.24 -0.12 0.00 -1.37 0.00 0.00 64.86 63.18 2uzg h ILE 54 Cb 0.28 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.61 2uzg h ILE 54 CO 0.01 0.13 -0.21 -0.61 -3.07 0.00 0.00 178.15 174.40 2uzg h GLN 55 N 0.70 0.81 -0.10 2.19 -0.00 -1.58 -2.51 115.11 114.62 2uzg h GLN 55 Ca 0.43 -0.37 -0.11 0.00 -0.00 0.00 0.00 58.65 58.61 2uzg h GLN 55 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 2uzg h GLN 55 CO -0.31 1.00 -0.42 0.87 0.00 0.00 0.00 178.83 179.97 2uzg h LYS 56 N 0.61 0.22 0.00 1.69 1.57 -1.20 -2.39 116.57 117.07 2uzg h LYS 56 Ca 0.08 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2uzg h LYS 56 Cb 0.77 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2uzg h LYS 56 CO 0.06 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.42 2uzg n SER 57 N -4.02 0.40 0.30 0.86 3.41 0.29 -3.04 113.62 111.81 2uzg n SER 57 Ca -0.02 0.57 0.20 0.00 -0.26 0.00 0.00 58.87 59.37 2uzg n SER 57 Cb 0.48 -0.67 1.01 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.75 1.04 3.38 -0.98 -3.46 115.31 114.54 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 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 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 -0.86 0.71 3.01 0.83 0.00 -1.17 -4.86 105.19 102.85 2uzg n GLY 59 Ca -0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.21 -0.01 0.07 2.61 -4.23 -1.26 -0.15 115.64 110.46 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 -0.22 -0.06 0.00 1.34 0.00 0.00 72.50 73.56 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 4.96 0.00 0.00 0.00 4.20 -1.58 -3.34 115.11 119.35 2uzg h GLN 62 Ca -0.47 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 2uzg h GLN 62 Cb 1.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2uzg h GLN 62 CO 0.67 0.70 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.88 2uzg h ASP 63 N 0.00 0.00 -2.16 1.46 3.32 -1.93 -3.49 116.42 113.62 2uzg h ASP 63 Ca -0.01 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2uzg h ASP 63 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2uzg h ASP 63 CO 0.09 0.93 0.00 0.00 -1.72 0.00 0.00 179.24 178.55 2uzg n LYS 65 N 0.00 2.72 0.11 0.00 2.85 -1.26 -3.85 118.16 118.73 2uzg n LYS 65 Ca 0.00 -4.61 0.12 0.00 -1.05 0.00 0.00 58.31 52.77 2uzg n LYS 65 Cb 0.00 -2.15 0.02 0.00 -0.65 0.00 0.00 35.03 32.25 2uzg n LYS 65 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 2uzg h VAL 66 N 2.82 0.00 -2.50 0.58 -1.51 -1.95 -3.49 116.25 110.21 2uzg h VAL 66 Ca 0.15 -0.97 0.24 0.00 -1.23 0.00 0.00 66.70 64.89 2uzg h VAL 66 Cb 0.61 1.51 -0.13 0.00 -2.13 0.00 0.00 31.29 31.15 2uzg h VAL 66 CO 0.78 0.00 -0.91 0.00 -1.23 0.00 0.00 177.57 176.21 2uzg n GLN 67 N -2.68 -2.40 0.00 5.19 1.13 -1.26 -4.99 117.38 112.37 2uzg n GLN 67 Ca 0.01 1.96 0.00 0.00 -1.94 0.00 0.00 57.00 57.03 2uzg n GLN 67 Cb 0.54 -2.78 0.00 0.00 0.11 0.00 0.00 30.24 28.11 2uzg n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uzg n GLY 68 N -3.64 1.11 0.14 1.08 0.00 0.79 -4.78 105.19 99.89 2uzg n GLY 68 Ca -0.07 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2uzg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uzg h PRO 69 N 0.00 -0.25 -6.00 1.61 0.13 -1.94 -3.49 132.00 122.06 2uzg h PRO 69 Ca 0.00 0.02 -0.74 0.00 -0.87 0.00 0.00 66.00 64.41 2uzg h PRO 69 Cb 0.00 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.15 2uzg h PRO 69 CO 0.00 0.05 1.35 0.09 -0.23 0.00 0.00 178.00 179.26 2uzg n ASN 70 N -5.07 1.22 -3.75 1.44 3.02 -1.26 -4.68 115.26 106.19 2uzg n ASN 70 Ca -0.09 0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 54.93 2uzg n ASN 70 Cb 0.22 -1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 38.27 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2uzg s LEU 71 N 6.40 0.67 0.11 3.41 1.43 -1.26 -4.88 118.68 124.56 2uzg s LEU 71 Ca 1.16 0.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.93 2uzg s LEU 71 Cb -1.28 1.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 2uzg s LEU 71 CO 0.60 -0.19 -0.04 0.26 0.23 0.00 0.00 176.35 177.21 2uzg s TRP 72 N -0.10 2.85 -0.00 0.29 0.52 -0.04 -1.19 118.94 121.27 2uzg s TRP 72 Ca -0.03 -0.10 0.02 0.00 0.02 0.00 0.00 56.10 56.01 2uzg s TRP 72 Cb -0.03 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 2uzg s TRP 72 CO 0.01 0.47 -0.06 0.00 0.02 0.00 0.00 176.95 177.38 2uzg s ALA 73 N -1.36 0.53 0.26 0.98 0.00 -0.32 -1.00 121.76 120.86 2uzg s ALA 73 Ca 0.24 -0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 2uzg s ALA 73 Cb -0.11 -0.13 -0.13 0.00 0.00 0.00 0.00 23.12 22.75 2uzg s ALA 73 CO 0.16 0.13 1.42 0.00 0.00 0.00 0.00 175.76 177.47 2uzg h LEU 75 N 4.05 0.00 -9.38 0.00 5.85 -1.61 -3.45 115.31 110.77 2uzg h LEU 75 Ca -0.45 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 57.65 2uzg h LEU 75 Cb 1.27 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.34 2uzg h LEU 75 CO 0.74 0.03 0.82 1.21 -0.34 0.00 0.00 178.44 180.90 2uzg n GLU 76 N -2.85 1.90 -0.05 1.25 4.07 -1.26 -3.89 120.64 119.81 2uzg n GLU 76 Ca 0.01 0.69 0.01 0.00 -0.06 0.00 0.00 57.16 57.81 2uzg n GLU 76 Cb 0.56 -2.45 0.31 0.00 -0.06 0.00 0.00 31.44 29.80 2uzg n GLU 76 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2uzg h ASN 77 N 6.61 0.58 1.35 4.31 -1.24 -1.90 -2.15 115.58 123.15 2uzg h ASN 77 Ca -0.46 -0.06 -0.13 0.00 0.71 0.00 0.00 56.30 56.36 2uzg h ASN 77 Cb 1.28 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 2uzg h ASN 77 CO 0.89 0.53 -0.60 0.03 -1.29 0.00 0.00 177.43 176.99 2uzg h ARG 78 N 0.64 0.00 -6.02 6.67 3.08 -1.97 -3.45 114.38 113.32 2uzg h ARG 78 Ca 0.16 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.60 2uzg h ARG 78 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2uzg h ARG 78 CO -0.02 0.60 -0.42 0.00 -1.07 0.00 0.00 179.97 179.07 2uzg n SER 80 N 0.19 0.56 -4.89 0.00 3.41 -1.26 -4.51 113.62 107.12 2uzg n SER 80 Ca -0.04 -2.81 -0.33 0.00 -0.26 0.00 0.00 58.87 55.43 2uzg n SER 80 Cb 0.51 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2uzg s TYR 81 N -2.25 3.55 -0.26 7.33 1.51 -1.26 -4.97 117.35 121.00 2uzg s TYR 81 Ca 0.29 0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 56.83 2uzg s TYR 81 Cb 0.41 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2uzg s TYR 81 CO -0.01 0.57 -0.03 0.08 -1.11 0.00 0.00 175.55 175.05 2uzg s VAL 82 N -1.41 3.14 0.21 0.71 1.01 -1.26 -1.31 120.40 121.48 2uzg s VAL 82 Ca 0.32 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2uzg s VAL 82 Cb -0.13 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2uzg s VAL 82 CO 0.20 0.16 -0.01 -0.83 0.00 0.00 0.00 175.10 174.62 2uzg s GLY 83 N 1.36 1.41 -0.11 4.51 0.00 -0.17 -1.30 107.32 113.02 2uzg s GLY 83 Ca 0.01 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 42.99 2uzg s GLY 83 CO -0.03 -1.62 0.07 0.00 0.00 0.00 0.00 173.10 171.53 2uzg n GLY 85 N 2.18 -3.50 0.28 0.00 0.00 -1.26 0.57 105.19 103.45 2uzg n GLY 85 Ca -0.19 -1.26 0.19 0.00 0.00 0.00 0.00 46.02 44.75 2uzg n GLY 85 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2uzg h GLU 86 N 0.00 0.00 0.00 1.61 3.07 -1.90 0.32 114.58 117.68 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2uzg h GLU 86 CO 0.00 0.00 0.00 1.03 -1.40 0.00 0.00 179.01 178.64 2uzg h SER 87 N 0.00 0.00 0.00 1.42 0.87 -1.99 -3.37 113.55 110.48 2uzg h SER 87 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2uzg h SER 87 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 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 -2.86 0.00 -0.42 2.24 1.13 -0.86 -4.98 117.38 111.63 2uzg n GLN 88 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2uzg n GLN 88 Cb 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 30.24 30.42 2uzg n GLN 88 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2uzg n VAL 89 N -2.36 0.00 -2.29 5.09 0.31 -1.05 -4.99 118.33 113.04 2uzg n VAL 89 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2uzg n VAL 89 Cb 0.00 0.49 -0.01 0.00 -0.91 0.00 0.00 33.84 33.41 2uzg n VAL 89 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2uzg n ASP 90 N 0.00 -3.75 -0.32 4.52 9.92 0.11 -4.81 116.55 122.22 2uzg n ASP 90 Ca 0.00 0.22 0.07 0.00 -0.53 0.00 0.00 54.79 54.54 2uzg n ASP 90 Cb 0.64 -3.23 0.23 0.00 -0.64 0.00 0.00 41.12 38.12 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 2uzg h HIS 91 N 0.00 0.92 -0.58 1.24 3.86 0.01 0.11 115.15 120.71 2uzg h HIS 91 Ca -0.28 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.99 2uzg h HIS 91 Cb 1.15 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 2uzg h HIS 91 CO 0.65 0.29 0.39 0.77 0.86 0.00 0.00 177.93 180.89 2uzg h SER 92 N 0.77 0.61 0.12 2.45 0.02 -1.61 0.48 113.55 116.39 2uzg h SER 92 Ca 0.47 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 2uzg h SER 92 Cb 0.57 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2uzg h SER 92 CO -0.31 0.43 -0.06 0.74 -1.14 0.00 0.00 176.83 176.48 2uzg h THR 93 N 0.71 1.06 -0.04 -2.27 2.02 -1.11 -1.12 112.91 112.16 2uzg h THR 93 Ca 0.23 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.38 2uzg h THR 93 Cb 0.03 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2uzg h THR 93 CO -0.06 0.24 -0.09 0.40 0.37 0.00 0.00 175.52 176.38 2uzg h ILE 94 N -0.69 0.75 -1.01 3.11 2.04 -1.04 -1.35 117.51 119.32 2uzg h ILE 94 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2uzg h ILE 94 Cb 0.52 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2uzg h ILE 94 CO 0.03 0.00 0.65 -0.74 0.00 0.00 0.00 178.15 178.09 2uzg h HIS 95 N -0.14 1.21 -0.76 1.37 2.76 -0.98 0.10 115.15 118.70 2uzg h HIS 95 Ca 0.05 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2uzg h HIS 95 Cb 0.21 -0.40 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 2uzg h HIS 95 CO -0.18 0.62 0.47 1.03 -1.30 0.00 0.00 177.93 178.57 2uzg h SER 96 N 1.18 0.75 -0.03 3.26 0.87 -0.29 -1.69 113.55 117.59 2uzg h SER 96 Ca 0.44 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.99 2uzg h SER 96 Cb 0.18 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2uzg h SER 96 CO -0.18 0.51 -0.05 1.56 -0.53 0.00 0.00 176.83 178.14 2uzg h GLN 97 N 0.89 0.09 -0.59 2.24 7.50 -0.21 0.94 115.11 125.97 2uzg h GLN 97 Ca 0.32 -0.05 0.12 0.00 0.50 0.00 0.00 58.65 59.54 2uzg h GLN 97 Cb 0.08 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.51 2uzg h GLN 97 CO -0.14 0.59 -0.03 0.93 -1.50 0.00 0.00 178.83 178.69 2uzg h GLU 98 N -0.41 0.09 -0.42 1.46 4.39 -0.77 -1.75 114.58 117.17 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 0.58 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 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 -5.30 1.53 -1.69 1.13 -2.24 -0.66 -4.95 114.28 102.10 2uzg n THR 99 Ca 0.08 -1.27 -0.16 0.00 -2.27 0.00 0.00 64.05 60.42 2uzg n THR 99 Cb 0.33 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 2uzg n THR 99 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2uzg n LYS 100 N 0.46 -1.50 -2.77 -0.78 -0.00 0.26 -4.89 118.16 108.94 2uzg n LYS 100 Ca 0.18 0.92 -0.43 0.00 -0.00 0.00 0.00 58.31 58.99 2uzg n LYS 100 Cb 0.67 -5.30 -0.03 0.00 -0.00 0.00 0.00 35.03 30.36 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2uzg s HIS 101 N -2.48 2.68 -1.16 5.58 3.76 0.26 -4.85 115.29 119.08 2uzg s HIS 101 Ca 0.00 -0.70 0.08 0.00 -0.15 0.00 0.00 55.06 54.29 2uzg s HIS 101 Cb 0.00 -4.41 0.33 0.00 1.11 0.00 0.00 32.58 29.61 2uzg s HIS 101 CO 0.00 -1.73 1.12 0.66 -0.85 0.00 0.00 174.74 173.94 2uzg n TYR 102 N 7.92 0.74 -4.05 1.40 4.01 -1.26 -4.01 117.16 121.91 2uzg n TYR 102 Ca 0.09 -0.28 -0.33 0.00 -0.16 0.00 0.00 57.90 57.22 2uzg n TYR 102 Cb 0.48 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.13 2.67 -0.02 7.72 2.01 -1.26 -1.02 118.68 127.64 2uzg s LEU 103 Ca 0.23 -0.79 0.01 0.00 0.01 0.00 0.00 54.13 53.60 2uzg s LEU 103 Cb 0.16 -1.56 0.01 0.00 0.01 0.00 0.00 46.19 44.80 2uzg s LEU 103 CO 0.10 -0.06 -0.04 0.28 1.01 0.00 0.00 176.35 177.64 2uzg s THR 104 N 1.29 0.39 -0.15 5.49 -1.32 -0.79 -1.56 115.64 118.99 2uzg s THR 104 Ca 0.02 -0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.40 2uzg s THR 104 Cb -0.15 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.46 2uzg s THR 104 CO -0.09 0.16 -0.21 0.54 -2.21 0.00 0.00 174.62 172.81 2uzg s VAL 105 N 0.47 2.04 -0.18 5.08 0.11 -0.43 0.39 120.40 127.88 2uzg s VAL 105 Ca -0.05 -0.95 -0.29 0.00 -2.93 0.00 0.00 61.98 57.75 2uzg s VAL 105 Cb -0.09 -1.82 -0.00 0.00 -1.53 0.00 0.00 36.38 32.94 2uzg s VAL 105 CO -0.00 0.54 1.06 0.54 -3.33 0.00 0.00 175.10 173.91 2uzg s ASN 106 N 1.01 7.12 0.08 3.54 2.20 -0.26 -1.17 114.94 127.46 2uzg s ASN 106 Ca -0.02 1.48 0.20 0.00 -0.94 0.00 0.00 52.86 53.58 2uzg s ASN 106 Cb -0.14 -2.55 0.82 0.00 -2.00 0.00 0.00 41.25 37.38 2uzg s ASN 106 CO -0.06 -0.61 1.62 0.18 -2.94 0.00 0.00 177.10 175.29 2uzg n LEU 107 N 5.91 0.23 0.06 3.54 4.77 -0.33 0.52 117.00 131.69 2uzg n LEU 107 Ca 0.11 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.53 2uzg n LEU 107 Cb 0.47 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 2uzg n LEU 107 CO 0.53 -0.28 -0.08 0.71 -1.33 0.00 0.00 177.39 176.94 2uzg h THR 108 N 0.00 1.45 -0.00 -5.08 1.35 -1.83 -3.36 112.91 105.43 2uzg h THR 108 Ca 0.00 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 2uzg h THR 108 Cb 0.36 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2uzg h THR 108 CO 0.00 0.87 -0.17 0.41 -0.25 0.00 0.00 175.52 176.37 2uzg n THR 109 N -3.37 0.00 -2.69 6.82 -1.04 -1.13 -5.01 114.28 107.87 2uzg n THR 109 Ca -0.07 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.05 61.33 2uzg n THR 109 Cb 0.99 1.01 0.01 0.00 -1.82 0.00 0.00 70.33 70.52 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 -1.01 -2.27 -4.58 -4.42 4.77 0.18 -5.00 117.00 104.68 2uzg n LEU 110 Ca 0.01 -0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.57 2uzg n LEU 110 Cb 0.06 -2.73 -0.09 0.00 -2.33 0.00 0.00 43.42 38.33 2uzg n LEU 110 CO 0.08 0.03 -0.40 -0.13 -1.33 0.00 0.00 177.39 175.63 2uzg s ARG 111 N -5.30 2.09 0.08 3.23 1.81 -1.17 -4.94 118.95 114.74 2uzg s ARG 111 Ca 0.15 -1.26 0.04 0.00 -1.72 0.00 0.00 55.73 52.94 2uzg s ARG 111 Cb -0.07 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.22 2uzg s ARG 111 CO 0.19 0.44 0.06 0.08 -0.68 0.00 0.00 175.30 175.39 2uzg s VAL 112 N -1.70 4.40 -0.00 3.52 1.01 -1.06 -1.10 120.40 125.47 2uzg s VAL 112 Ca 0.25 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2uzg s VAL 112 Cb -0.09 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2uzg s VAL 112 CO 0.15 0.12 -0.13 0.86 0.00 0.00 0.00 175.10 176.11 2uzg s TRP 113 N -1.38 1.13 -0.27 5.22 -0.11 0.16 -0.55 118.94 123.15 2uzg s TRP 113 Ca 0.28 -0.23 0.01 0.00 1.22 0.00 0.00 56.10 57.38 2uzg s TRP 113 Cb -0.12 -0.72 0.05 0.00 -1.50 0.00 0.00 33.47 31.18 2uzg s TRP 113 CO 0.21 -0.01 -0.06 0.00 -4.62 0.00 0.00 176.95 172.47 2uzg h TYR 115 N 7.89 1.01 0.25 0.00 -1.99 -1.34 0.82 116.97 123.61 2uzg h TYR 115 Ca -0.21 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 60.22 2uzg h TYR 115 Cb 1.06 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.57 2uzg h TYR 115 CO 0.62 1.08 -0.13 0.00 -0.00 0.00 0.00 178.16 179.73 2uzg h ALA 116 N 0.77 -0.35 0.00 3.88 0.00 -1.95 -2.52 119.26 119.09 2uzg h ALA 116 Ca 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.88 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2uzg h ALA 116 CO 0.08 -0.70 -0.48 0.00 0.00 0.00 0.00 179.25 178.15 2uzg n SER 118 N -3.97 -2.40 -3.66 0.00 7.64 0.21 -5.05 113.62 106.38 2uzg n SER 118 Ca -0.02 -0.14 0.01 0.00 1.01 0.00 0.00 58.87 59.73 2uzg n SER 118 Cb 0.49 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.19 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2uzg s LYS 119 N -3.91 0.64 0.03 1.43 -2.85 -0.74 -5.04 119.74 109.29 2uzg s LYS 119 Ca 0.04 -0.40 -0.21 0.00 -1.00 0.00 0.00 55.97 54.40 2uzg s LYS 119 Cb -0.01 0.19 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 2uzg s LYS 119 CO 0.16 -0.30 0.63 -2.00 0.10 0.00 0.00 175.35 173.95 2uzg s GLU 120 N -2.23 4.35 0.34 1.78 2.12 -1.26 -0.72 118.70 123.07 2uzg s GLU 120 Ca 0.23 0.82 0.08 0.00 0.36 0.00 0.00 54.97 56.45 2uzg s GLU 120 Cb 0.00 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.01 2uzg s GLU 120 CO -0.00 0.41 -0.05 0.14 -0.54 0.00 0.00 175.26 175.23 2uzg s VAL 121 N -0.39 1.91 0.10 3.70 -7.23 0.29 -4.87 120.40 113.90 2uzg s VAL 121 Ca 0.32 -2.12 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2uzg s VAL 121 Cb -0.19 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2uzg s VAL 121 CO 0.19 -0.16 -0.19 0.72 -0.31 0.00 0.00 175.10 175.35 2uzg s PHE 122 N -2.82 2.52 -0.11 2.82 -0.12 -1.26 -2.56 117.98 116.45 2uzg s PHE 122 Ca 0.33 -0.28 -0.07 0.00 -0.05 0.00 0.00 56.93 56.86 2uzg s PHE 122 Cb 0.05 -1.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.03 2uzg s PHE 122 CO 0.15 0.34 0.15 -1.17 -0.05 0.00 0.00 175.22 174.65 2uzg s LEU 123 N -1.94 4.39 0.04 -1.99 1.98 -1.26 -5.00 118.68 114.91 2uzg s LEU 123 Ca 0.17 0.49 -0.14 0.00 -2.89 0.00 0.00 54.13 51.75 2uzg s LEU 123 Cb -0.10 -2.12 0.02 0.00 0.66 0.00 0.00 46.19 44.65 2uzg s LEU 123 CO 0.08 0.40 0.32 -1.81 -1.89 0.00 0.00 176.35 173.45 2uzg s ASP 124 N -1.07 -0.15 0.08 3.68 -0.00 -1.26 -5.05 116.67 112.90 2uzg s ASP 124 Ca 0.16 -0.15 0.13 0.00 -0.00 0.00 0.00 52.55 52.68 2uzg s ASP 124 Cb -0.12 0.37 -0.15 0.00 -0.00 0.00 0.00 42.92 43.01 2uzg s ASP 124 CO 0.05 -0.62 0.99 0.03 -0.00 0.00 0.00 175.17 175.63 2uzg h ARG 125 N 3.20 0.00 -5.02 8.23 -0.00 -2.04 -3.50 114.38 115.25 2uzg h ARG 125 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.17 2uzg h ARG 125 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.14 2uzg h ARG 125 CO 0.45 0.58 -1.07 1.63 0.00 0.00 0.00 179.97 181.56 2uzg n LYS 126 N -3.12 -3.58 -1.13 0.04 4.76 -1.26 -4.90 118.16 108.97 2uzg n LYS 126 Ca -0.07 2.84 -0.22 0.00 -2.87 0.00 0.00 58.31 57.98 2uzg n LYS 126 Cb 0.92 -5.17 0.16 0.00 -1.84 0.00 0.00 35.03 29.10 2uzg n LYS 126 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2uzg n LEU 127 N 0.86 6.47 -2.49 -0.35 4.77 -1.26 -4.53 117.00 120.47 2uzg n LEU 127 Ca -0.08 -3.45 -0.32 0.00 -0.03 0.00 0.00 56.01 52.13 2uzg n LEU 127 Cb 0.12 -0.82 0.03 0.00 -2.33 0.00 0.00 43.42 40.43 2uzg n LEU 127 CO 0.42 1.01 0.86 0.61 -1.33 0.00 0.00 177.39 178.97 2uzg n GLY 128 N -1.01 5.92 0.00 -0.72 0.00 -1.26 -4.76 105.19 103.35 2uzg n GLY 128 Ca 0.55 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2uzg n GLY 128 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2uzg n THR 129 N -0.64 0.00 -1.57 2.61 5.66 -1.26 -5.25 114.28 113.83 2uzg n THR 129 Ca 0.50 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 2uzg n THR 129 Cb 0.59 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02