#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uzg h ASN 37 N 0.00 -0.25 -4.16 0.55 4.21 -2.10 -3.47 115.58 110.36 2uzg h ASN 37 Ca 0.00 -0.25 -0.40 0.00 1.21 0.00 0.00 56.30 56.86 2uzg h ASN 37 Cb 0.00 0.06 -0.19 0.00 -1.12 0.00 0.00 38.32 37.08 2uzg h ASN 37 CO 0.00 0.27 -0.76 -2.28 -1.29 0.00 0.00 177.43 173.38 2uzg s HIS 38 N -3.36 1.31 0.23 1.19 2.46 -1.26 -5.12 115.29 110.74 2uzg s HIS 38 Ca -0.11 -0.56 -0.31 0.00 0.47 0.00 0.00 55.06 54.55 2uzg s HIS 38 Cb 0.01 -0.70 -0.11 0.00 -0.13 0.00 0.00 32.58 31.65 2uzg s HIS 38 CO 0.41 0.11 1.55 0.00 -2.47 0.00 0.00 174.74 174.33 2uzg h PRO 40 N 5.75 0.59 -0.45 0.00 0.13 -2.00 -1.34 132.00 134.68 2uzg h PRO 40 Ca -0.45 -0.31 0.08 0.00 -0.87 0.00 0.00 66.00 64.45 2uzg h PRO 40 Cb 1.21 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2uzg h PRO 40 CO 0.84 0.91 -0.37 0.45 -0.23 0.00 0.00 178.00 179.60 2uzg h HIS 41 N 0.29 -1.04 -0.02 1.56 3.86 -1.98 -0.90 115.15 116.91 2uzg h HIS 41 Ca 0.04 0.07 -0.23 0.00 -1.16 0.00 0.00 60.37 59.08 2uzg h HIS 41 Cb 0.80 0.52 0.01 0.00 1.06 0.00 0.00 27.41 29.80 2uzg h HIS 41 CO 0.08 -0.40 -0.93 1.37 0.86 0.00 0.00 177.93 178.91 2uzg h LEU 42 N -0.26 0.66 -2.17 2.43 8.10 -1.92 -3.14 115.31 119.01 2uzg h LEU 42 Ca 0.18 -0.50 0.03 0.00 0.11 0.00 0.00 57.88 57.69 2uzg h LEU 42 Cb 0.56 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 2uzg h LEU 42 CO -0.59 1.30 0.29 -0.78 -4.11 0.00 0.00 178.44 174.54 2uzg h ASP 43 N 0.31 0.00 0.15 0.17 3.58 -0.35 -1.20 116.42 119.08 2uzg h ASP 43 Ca -0.08 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.10 2uzg h ASP 43 Cb 1.56 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.62 2uzg h ASP 43 CO 0.17 0.00 -1.26 0.28 -2.88 0.00 0.00 179.24 175.55 2uzg h SER 44 N 0.00 0.50 -3.42 2.28 0.02 -1.15 -3.47 113.55 108.31 2uzg h SER 44 Ca 0.05 -0.91 -0.45 0.00 -0.84 0.00 0.00 61.79 59.64 2uzg h SER 44 Cb 0.62 -0.16 0.21 0.00 0.14 0.00 0.00 62.40 63.21 2uzg h SER 44 CO -0.00 1.58 0.04 0.68 -1.14 0.00 0.00 176.83 177.98 2uzg s VAL 45 N -2.49 2.00 0.00 2.27 -7.23 -0.45 -4.99 120.40 109.51 2uzg s VAL 45 Ca -0.16 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2uzg s VAL 45 Cb 0.03 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.97 2uzg s VAL 45 CO 0.82 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.22 2uzg n GLY 46 N 0.86 0.75 3.05 2.32 0.00 -1.26 -4.91 105.19 106.00 2uzg n GLY 46 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 3.27 0.49 -0.08 1.61 2.12 -1.26 -4.76 118.70 120.10 2uzg s GLU 47 Ca 0.00 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2uzg s GLU 47 Cb 0.00 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 2uzg s GLU 47 CO 0.00 -0.09 -0.06 -1.50 -0.54 0.00 0.00 175.26 173.07 2uzg s ILE 48 N -2.79 3.80 0.54 -3.70 2.07 -1.26 -4.70 121.20 115.16 2uzg s ILE 48 Ca -0.04 -0.44 -0.08 0.00 -1.41 0.00 0.00 60.65 58.69 2uzg s ILE 48 Cb -0.00 -2.57 -0.04 0.00 0.13 0.00 0.00 42.46 39.98 2uzg s ILE 48 CO -0.06 0.59 0.90 0.42 -1.91 0.00 0.00 174.94 174.88 2uzg s THR 49 N -0.70 4.82 0.37 4.00 -4.23 -1.26 -4.95 115.64 113.69 2uzg s THR 49 Ca 0.11 0.52 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 2uzg s THR 49 Cb -0.11 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 70.04 2uzg s THR 49 CO 0.02 -0.97 1.92 0.11 -0.54 0.00 0.00 174.62 175.15 2uzg h LYS 50 N 0.01 0.37 -0.70 3.99 1.57 -1.99 -2.00 116.57 117.81 2uzg h LYS 50 Ca -0.46 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.28 2uzg h LYS 50 Cb 1.20 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2uzg h LYS 50 CO 0.62 0.43 0.45 1.49 -0.57 0.00 0.00 179.45 181.86 2uzg h GLU 51 N 0.36 0.85 -0.08 3.15 4.22 -2.00 0.27 114.58 121.35 2uzg h GLU 51 Ca 0.08 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.39 2uzg h GLU 51 Cb 0.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2uzg h GLU 51 CO 0.01 0.57 -0.24 -0.44 -2.18 0.00 0.00 179.01 176.73 2uzg h ASP 52 N 0.88 0.34 -0.08 1.04 3.45 -1.86 -3.20 116.42 116.99 2uzg h ASP 52 Ca 0.28 -0.61 -0.02 0.00 0.43 0.00 0.00 57.03 57.11 2uzg h ASP 52 Cb -0.01 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 2uzg h ASP 52 CO -0.10 0.89 -0.00 -0.07 -1.57 0.00 0.00 179.24 178.39 2uzg h LEU 53 N -0.19 0.21 -0.83 1.55 3.38 -1.15 -2.56 115.31 115.72 2uzg h LEU 53 Ca -0.01 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2uzg h LEU 53 Cb 0.86 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2uzg h LEU 53 CO 0.05 0.26 0.48 -0.29 0.09 0.00 0.00 178.44 179.03 2uzg h ILE 54 N 0.23 0.91 -0.33 1.22 2.10 -0.47 0.85 117.51 122.03 2uzg h ILE 54 Ca 0.06 -0.28 -0.10 0.00 1.08 0.00 0.00 64.86 65.62 2uzg h ILE 54 Cb 0.17 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 35.93 2uzg h ILE 54 CO 0.00 0.15 -0.19 -0.61 -1.08 0.00 0.00 178.15 176.43 2uzg h GLN 55 N 0.81 0.70 -0.11 2.19 -0.00 -1.54 -2.65 115.11 114.51 2uzg h GLN 55 Ca 0.40 -0.32 -0.09 0.00 -0.00 0.00 0.00 58.65 58.64 2uzg h GLN 55 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.82 2uzg h GLN 55 CO -0.25 0.92 -0.36 0.87 0.00 0.00 0.00 178.83 180.02 2uzg h LYS 56 N 0.47 0.22 0.00 1.69 1.57 -1.23 -2.23 116.57 117.06 2uzg h LYS 56 Ca 0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2uzg h LYS 56 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2uzg h LYS 56 CO 0.05 0.56 0.00 -1.13 -0.57 0.00 0.00 179.45 178.36 2uzg n SER 57 N -4.07 0.41 0.30 0.86 3.41 0.29 -2.88 113.62 111.93 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 0.44 -0.68 1.02 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.67 1.04 3.38 -1.05 -3.46 115.31 114.55 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 -0.87 0.72 3.03 0.83 0.00 -1.14 -4.79 105.19 102.97 2uzg n GLY 59 Ca -0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2uzg n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uzg s THR 60 N -2.15 -0.01 0.17 2.61 2.01 -1.26 -0.12 115.64 116.90 2uzg s THR 60 Ca 0.00 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 2uzg s THR 60 Cb 0.00 -0.23 -0.08 0.00 0.01 0.00 0.00 72.50 72.20 2uzg s THR 60 CO 0.00 0.01 0.67 0.00 -0.69 0.00 0.00 174.62 174.61 2uzg h GLN 62 N 3.79 0.51 0.12 0.00 4.15 -1.59 -3.35 115.11 118.73 2uzg h GLN 62 Ca -0.48 -0.62 -0.01 0.00 0.77 0.00 0.00 58.65 58.31 2uzg h GLN 62 Cb 1.20 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2uzg h GLN 62 CO 0.65 1.25 -0.06 -0.44 -1.93 0.00 0.00 178.83 178.30 2uzg h ASP 63 N 0.25 -0.14 -0.50 -0.69 3.32 -1.94 -3.48 116.42 113.24 2uzg h ASP 63 Ca -0.13 -0.42 -0.67 0.00 0.02 0.00 0.00 57.03 55.82 2uzg h ASP 63 Cb 1.76 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 41.22 2uzg h ASP 63 CO 0.20 0.42 -0.51 0.00 -1.72 0.00 0.00 179.24 177.63 2uzg s LYS 65 N -3.87 2.79 0.44 0.00 0.00 -1.26 -3.77 119.74 114.07 2uzg s LYS 65 Ca 0.06 -1.90 0.03 0.00 0.00 0.00 0.00 55.97 54.16 2uzg s LYS 65 Cb 0.01 -4.10 -0.01 0.00 0.00 0.00 0.00 37.83 33.74 2uzg s LYS 65 CO 0.03 -1.25 0.09 1.33 0.00 0.00 0.00 175.35 175.55 2uzg n VAL 66 N 4.79 0.00 -4.00 1.79 0.24 -1.26 -4.98 118.33 114.90 2uzg n VAL 66 Ca -0.06 -2.33 -0.31 0.00 -2.04 0.00 0.00 64.34 59.60 2uzg n VAL 66 Cb 0.41 0.70 -0.16 0.00 -1.47 0.00 0.00 33.84 33.33 2uzg n VAL 66 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2uzg s GLN 67 N -3.62 2.03 0.00 7.34 -1.52 -1.26 -4.32 119.66 118.32 2uzg s GLN 67 Ca 0.13 -0.93 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2uzg s GLN 67 Cb 0.01 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2uzg s GLN 67 CO 0.09 -0.46 0.00 0.41 -0.25 0.00 0.00 175.29 175.08 2uzg n GLY 68 N 4.64 -2.69 0.19 3.09 0.00 0.83 -4.73 105.19 106.52 2uzg n GLY 68 Ca -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 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 0.23 -5.08 1.61 0.13 -1.92 -3.49 132.00 123.48 2uzg h PRO 69 Ca 0.00 -0.12 -0.33 0.00 -0.87 0.00 0.00 66.00 64.69 2uzg h PRO 69 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2uzg h PRO 69 CO 0.00 0.63 1.66 0.09 -0.23 0.00 0.00 178.00 180.15 2uzg n ASN 70 N -4.00 -0.56 -3.68 1.44 3.02 -1.26 -4.47 115.26 105.74 2uzg n ASN 70 Ca -0.02 -0.60 -0.15 0.00 -0.03 0.00 0.00 54.58 53.79 2uzg n ASN 70 Cb 0.50 -0.81 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 4.13 0.31 0.29 3.41 1.43 -1.26 -4.90 118.68 122.09 2uzg s LEU 71 Ca 1.25 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 2uzg s LEU 71 Cb -0.77 1.69 -0.03 0.00 0.03 0.00 0.00 46.19 47.11 2uzg s LEU 71 CO 0.47 -0.44 0.21 0.26 0.23 0.00 0.00 176.35 177.08 2uzg s TRP 72 N -0.99 2.97 -0.03 0.29 0.52 0.47 -1.49 118.94 120.68 2uzg s TRP 72 Ca -0.10 -0.21 -0.04 0.00 0.02 0.00 0.00 56.10 55.76 2uzg s TRP 72 Cb -0.03 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 2uzg s TRP 72 CO 0.05 0.39 0.10 0.00 0.02 0.00 0.00 176.95 177.52 2uzg s ALA 73 N -2.24 -0.25 0.21 0.98 0.00 -0.31 -0.77 121.76 119.39 2uzg s ALA 73 Ca 0.36 0.17 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 2uzg s ALA 73 Cb -0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 23.12 22.81 2uzg s ALA 73 CO 0.25 -0.08 1.59 0.00 0.00 0.00 0.00 175.76 177.51 2uzg n LEU 75 N 3.12 0.74 -4.68 0.00 7.94 -0.61 -4.70 117.00 118.81 2uzg n LEU 75 Ca 0.14 0.42 -0.43 0.00 -1.11 0.00 0.00 56.01 55.03 2uzg n LEU 75 Cb 0.32 -0.27 -0.01 0.00 0.53 0.00 0.00 43.42 43.99 2uzg n LEU 75 CO 0.63 -0.12 0.89 1.21 -1.11 0.00 0.00 177.39 178.90 2uzg n GLU 76 N -2.16 2.01 -0.15 1.96 4.07 -1.26 -4.38 120.64 120.73 2uzg n GLU 76 Ca 0.05 0.71 -0.11 0.00 -0.06 0.00 0.00 57.16 57.75 2uzg n GLU 76 Cb 0.43 -2.28 -0.01 0.00 -0.06 0.00 0.00 31.44 29.52 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 2.92 0.78 1.56 4.31 -1.24 -1.88 -3.00 115.58 119.03 2uzg h ASN 77 Ca -0.45 -0.33 -0.09 0.00 0.71 0.00 0.00 56.30 56.14 2uzg h ASN 77 Cb 1.29 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 2uzg h ASN 77 CO 0.66 0.92 -0.41 -0.09 -1.29 0.00 0.00 177.43 177.22 2uzg h ARG 78 N 0.61 0.00 -5.01 6.67 9.65 -1.93 -3.44 114.38 120.94 2uzg h ARG 78 Ca 0.12 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.36 2uzg h ARG 78 Cb 0.55 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 28.97 2uzg h ARG 78 CO 0.03 0.41 -0.53 0.00 2.80 0.00 0.00 179.97 182.68 2uzg n SER 80 N 4.61 3.83 -4.89 0.00 7.64 -1.26 -4.05 113.62 119.50 2uzg n SER 80 Ca -0.15 -3.47 -0.32 0.00 1.01 0.00 0.00 58.87 55.93 2uzg n SER 80 Cb 0.52 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 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 -3.40 3.51 -0.18 1.43 1.51 -1.26 -4.95 117.35 114.00 2uzg s TYR 81 Ca 0.43 0.56 -0.06 0.00 -1.01 0.00 0.00 57.07 56.99 2uzg s TYR 81 Cb 0.40 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 2uzg s TYR 81 CO -0.13 0.48 0.03 0.08 -1.11 0.00 0.00 175.55 174.91 2uzg s VAL 82 N -1.56 4.46 0.05 0.71 1.01 -1.26 -1.15 120.40 122.66 2uzg s VAL 82 Ca 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2uzg s VAL 82 Cb -0.13 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2uzg s VAL 82 CO 0.23 0.45 -0.01 -0.83 0.00 0.00 0.00 175.10 174.95 2uzg s GLY 83 N 0.53 0.41 -0.05 4.51 0.00 0.05 -1.33 107.32 111.44 2uzg s GLY 83 Ca 0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 2uzg s GLY 83 CO 0.02 -1.22 0.09 0.00 0.00 0.00 0.00 173.10 171.98 2uzg n GLY 85 N 1.55 -1.89 0.33 0.00 0.00 -1.26 0.62 105.19 104.53 2uzg n GLY 85 Ca -0.16 -1.52 0.21 0.00 0.00 0.00 0.00 46.02 44.56 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 5.08 -1.90 0.41 114.58 119.79 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2uzg h GLU 86 CO 0.00 0.00 0.00 0.77 -1.00 0.00 0.00 179.01 178.78 2uzg h SER 87 N 0.00 0.00 0.00 1.42 0.02 -2.00 -3.38 113.55 109.61 2uzg h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2uzg h SER 87 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2uzg h SER 87 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2uzg n GLN 88 N -2.80 0.00 -0.28 3.45 1.13 -0.43 -5.00 117.38 113.45 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 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.46 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 -2.02 0.00 -2.84 5.09 0.31 -1.00 -5.00 118.33 112.87 2uzg n VAL 89 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 2uzg n VAL 89 Cb 0.00 0.60 -0.00 0.00 -0.91 0.00 0.00 33.84 33.53 2uzg n VAL 89 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2uzg n ASP 90 N 0.00 -3.82 -0.27 4.52 4.64 0.13 -4.81 116.55 116.94 2uzg n ASP 90 Ca 0.00 -0.05 0.10 0.00 -1.38 0.00 0.00 54.79 53.47 2uzg n ASP 90 Cb 0.60 -3.21 0.36 0.00 -1.04 0.00 0.00 41.12 37.82 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 2uzg h HIS 91 N -0.46 0.85 -0.70 -0.67 3.86 0.01 0.71 115.15 118.75 2uzg h HIS 91 Ca -0.35 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.92 2uzg h HIS 91 Cb 1.24 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 2uzg h HIS 91 CO 0.69 0.34 0.46 0.77 0.86 0.00 0.00 177.93 181.05 2uzg h SER 92 N 0.74 0.74 -0.03 2.45 0.02 -1.63 0.19 113.55 116.04 2uzg h SER 92 Ca 0.43 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2uzg h SER 92 Cb 0.61 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2uzg h SER 92 CO -0.19 0.51 -0.07 0.74 -1.14 0.00 0.00 176.83 176.67 2uzg h THR 93 N 0.86 1.46 -0.01 -2.27 2.02 -1.16 -0.46 112.91 113.34 2uzg h THR 93 Ca 0.28 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 66.00 2uzg h THR 93 Cb 0.04 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2uzg h THR 93 CO -0.08 0.40 -0.06 0.40 0.37 0.00 0.00 175.52 176.55 2uzg h ILE 94 N -0.46 0.84 -0.62 3.11 2.04 -0.98 -1.30 117.51 120.14 2uzg h ILE 94 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2uzg h ILE 94 Cb 0.68 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2uzg h ILE 94 CO 0.02 0.00 0.39 -0.74 0.00 0.00 0.00 178.15 177.81 2uzg h HIS 95 N -0.11 0.79 -0.77 1.37 2.76 -0.70 -1.39 115.15 117.11 2uzg h HIS 95 Ca 0.03 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2uzg h HIS 95 Cb 0.14 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 2uzg h HIS 95 CO -0.13 0.52 0.50 1.03 -1.30 0.00 0.00 177.93 178.54 2uzg h SER 96 N 0.84 0.84 -0.04 3.26 0.87 -0.16 -1.92 113.55 117.24 2uzg h SER 96 Ca 0.22 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2uzg h SER 96 Cb -0.06 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2uzg h SER 96 CO -0.04 0.59 -0.06 1.56 -0.53 0.00 0.00 176.83 178.34 2uzg h GLN 97 N 0.99 0.12 -0.59 2.24 7.50 -0.52 0.91 115.11 125.76 2uzg h GLN 97 Ca 0.30 -0.07 0.12 0.00 0.50 0.00 0.00 58.65 59.50 2uzg h GLN 97 Cb -0.04 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.39 2uzg h GLN 97 CO -0.09 0.62 -0.03 0.93 -1.50 0.00 0.00 178.83 178.75 2uzg h GLU 98 N -0.37 0.09 -0.46 1.46 5.08 -1.08 -1.73 114.58 117.57 2uzg h GLU 98 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uzg h GLU 98 Cb 0.60 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.33 2uzg n THR 99 N -5.30 1.41 -1.71 1.13 -2.24 -0.74 -4.94 114.28 101.89 2uzg n THR 99 Ca 0.08 -1.20 -0.17 0.00 -2.27 0.00 0.00 64.05 60.49 2uzg n THR 99 Cb 0.33 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.64 -1.50 -2.81 -0.78 4.76 0.24 -4.89 118.16 113.82 2uzg n LYS 100 Ca 0.18 0.99 -0.43 0.00 -2.87 0.00 0.00 58.31 56.18 2uzg n LYS 100 Cb 0.64 -5.38 -0.03 0.00 -1.84 0.00 0.00 35.03 28.41 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 -2.56 2.73 -0.38 2.13 3.76 0.25 -4.86 115.29 116.36 2uzg s HIS 101 Ca 0.00 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2uzg s HIS 101 Cb 0.00 -4.37 0.45 0.00 1.11 0.00 0.00 32.58 29.77 2uzg s HIS 101 CO 0.00 -1.68 1.44 0.66 -0.85 0.00 0.00 174.74 174.31 2uzg n TYR 102 N 7.71 1.64 -3.98 1.40 4.02 -1.26 -4.03 117.16 122.66 2uzg n TYR 102 Ca 0.08 -0.98 -0.30 0.00 -0.01 0.00 0.00 57.90 56.70 2uzg n TYR 102 Cb 0.47 -0.55 -0.16 0.00 -0.02 0.00 0.00 39.34 39.08 2uzg n TYR 102 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2uzg s LEU 103 N -1.88 1.90 -0.02 7.72 2.01 -1.26 -1.33 118.68 125.82 2uzg s LEU 103 Ca 0.34 -0.67 0.01 0.00 0.01 0.00 0.00 54.13 53.82 2uzg s LEU 103 Cb 0.28 -1.14 0.01 0.00 0.01 0.00 0.00 46.19 45.35 2uzg s LEU 103 CO 0.08 -0.12 -0.02 0.28 1.01 0.00 0.00 176.35 177.59 2uzg s THR 104 N 1.48 0.22 -0.12 5.49 -1.32 -0.80 -1.57 115.64 119.02 2uzg s THR 104 Ca 0.02 -0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2uzg s THR 104 Cb -0.15 -0.25 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 2uzg s THR 104 CO -0.09 0.11 -0.23 0.54 -2.21 0.00 0.00 174.62 172.74 2uzg s VAL 105 N 0.50 2.04 -0.14 5.08 0.11 -0.45 0.34 120.40 127.89 2uzg s VAL 105 Ca -0.05 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.72 2uzg s VAL 105 Cb -0.08 -1.79 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 2uzg s VAL 105 CO -0.01 0.55 1.07 0.54 -3.33 0.00 0.00 175.10 173.92 2uzg s ASN 106 N 0.64 7.15 0.39 3.54 2.20 -0.49 -1.16 114.94 127.21 2uzg s ASN 106 Ca -0.11 1.53 0.28 0.00 -0.94 0.00 0.00 52.86 53.62 2uzg s ASN 106 Cb -0.16 -2.55 1.04 0.00 -2.00 0.00 0.00 41.25 37.57 2uzg s ASN 106 CO 0.02 -0.57 1.82 -0.07 -2.94 0.00 0.00 177.10 175.36 2uzg h LEU 107 N 8.65 0.00 0.00 3.54 3.38 -1.59 0.57 115.31 129.87 2uzg h LEU 107 Ca -0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 2uzg h LEU 107 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2uzg h LEU 107 CO 0.91 0.00 -0.92 0.74 0.09 0.00 0.00 178.44 179.26 2uzg h THR 108 N 0.00 1.15 0.00 0.22 2.02 -1.78 -3.36 112.91 111.16 2uzg h THR 108 Ca 0.00 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2uzg h THR 108 Cb 0.55 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2uzg h THR 108 CO 0.00 0.66 -0.18 0.41 0.37 0.00 0.00 175.52 176.78 2uzg n THR 109 N -3.22 0.00 -2.37 3.16 -1.04 -1.15 -5.01 114.28 104.66 2uzg n THR 109 Ca -0.02 -0.42 -0.20 0.00 -2.04 0.00 0.00 64.05 61.37 2uzg n THR 109 Cb 0.86 0.97 -0.01 0.00 -1.82 0.00 0.00 70.33 70.33 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 -1.09 -1.91 -4.44 -4.42 4.77 0.20 -4.98 117.00 105.13 2uzg n LEU 110 Ca 0.00 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.64 2uzg n LEU 110 Cb 0.05 -2.84 -0.14 0.00 -2.33 0.00 0.00 43.42 38.16 2uzg n LEU 110 CO 0.06 -0.22 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.31 2uzg s ARG 111 N -4.98 2.78 0.19 3.23 0.52 -1.19 -4.93 118.95 114.57 2uzg s ARG 111 Ca 0.00 -0.70 -0.07 0.00 -0.52 0.00 0.00 55.73 54.44 2uzg s ARG 111 Cb 0.00 -2.45 -0.06 0.00 0.52 0.00 0.00 34.95 32.95 2uzg s ARG 111 CO 0.00 0.49 0.46 0.08 0.02 0.00 0.00 175.30 176.35 2uzg s VAL 112 N -0.37 5.06 0.03 3.52 1.01 -1.23 -1.39 120.40 127.02 2uzg s VAL 112 Ca 0.04 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2uzg s VAL 112 Cb -0.12 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2uzg s VAL 112 CO 0.02 -0.02 -0.11 0.86 0.00 0.00 0.00 175.10 175.84 2uzg s TRP 113 N -1.75 1.00 -0.26 5.22 -0.11 0.15 -1.62 118.94 121.58 2uzg s TRP 113 Ca 0.44 -0.33 -0.00 0.00 1.22 0.00 0.00 56.10 57.42 2uzg s TRP 113 Cb -0.12 -0.60 0.04 0.00 -1.50 0.00 0.00 33.47 31.29 2uzg s TRP 113 CO 0.23 0.00 -0.07 0.00 -4.62 0.00 0.00 176.95 172.49 2uzg h TYR 115 N 7.94 0.89 0.26 0.00 0.99 -1.47 0.12 116.97 125.71 2uzg h TYR 115 Ca -0.28 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.19 2uzg h TYR 115 Cb 1.08 -0.19 0.00 0.00 1.00 0.00 0.00 36.73 38.62 2uzg h TYR 115 CO 0.59 1.00 -0.13 0.00 -0.00 0.00 0.00 178.16 179.63 2uzg h ALA 116 N 0.75 -0.35 -0.01 3.88 0.00 -1.95 -2.66 119.26 118.91 2uzg h ALA 116 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2uzg h ALA 116 Cb 0.82 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2uzg h ALA 116 CO 0.07 -0.69 -0.49 0.00 0.00 0.00 0.00 179.25 178.14 2uzg n SER 118 N -3.96 -2.31 -3.69 0.00 7.64 0.34 -5.05 113.62 106.59 2uzg n SER 118 Ca -0.02 -0.13 0.02 0.00 1.01 0.00 0.00 58.87 59.75 2uzg n SER 118 Cb 0.51 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 -3.97 0.37 0.11 1.43 0.00 -0.72 -5.03 119.74 111.93 2uzg s LYS 119 Ca 0.03 -0.22 -0.23 0.00 0.00 0.00 0.00 55.97 55.55 2uzg s LYS 119 Cb -0.00 0.11 -0.07 0.00 0.00 0.00 0.00 37.83 37.87 2uzg s LYS 119 CO 0.15 -0.17 0.69 -1.83 0.00 0.00 0.00 175.35 174.19 2uzg s GLU 120 N -2.23 4.42 0.35 1.78 -1.05 -1.26 -0.12 118.70 120.59 2uzg s GLU 120 Ca 0.20 0.98 0.06 0.00 -0.15 0.00 0.00 54.97 56.06 2uzg s GLU 120 Cb 0.03 -3.27 -0.02 0.00 -0.44 0.00 0.00 34.13 30.43 2uzg s GLU 120 CO -0.03 0.56 0.22 1.33 0.95 0.00 0.00 175.26 178.30 2uzg n VAL 121 N 1.79 0.00 -4.64 1.83 0.24 -0.64 -4.87 118.33 112.03 2uzg n VAL 121 Ca -0.07 -2.33 -0.26 0.00 -2.04 0.00 0.00 64.34 59.63 2uzg n VAL 121 Cb 0.50 1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 33.76 2uzg n VAL 121 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 2uzg s PHE 122 N -3.20 1.93 0.37 6.34 -0.12 -1.26 -3.53 117.98 118.51 2uzg s PHE 122 Ca 0.31 -0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 56.69 2uzg s PHE 122 Cb 0.02 -1.14 -0.07 0.00 -0.63 0.00 0.00 43.02 41.20 2uzg s PHE 122 CO 0.22 0.12 0.73 -1.17 -0.05 0.00 0.00 175.22 175.08 2uzg s LEU 123 N -1.32 3.91 0.03 -1.99 2.96 -1.26 -4.97 118.68 116.04 2uzg s LEU 123 Ca 0.08 1.12 -0.27 0.00 -0.22 0.00 0.00 54.13 54.84 2uzg s LEU 123 Cb -0.09 -3.97 -0.04 0.00 0.50 0.00 0.00 46.19 42.58 2uzg s LEU 123 CO 0.02 -0.33 0.87 1.51 -1.32 0.00 0.00 176.35 177.10 2uzg s ASP 124 N -2.94 7.29 0.23 3.68 -4.77 -1.26 -4.95 116.67 113.95 2uzg s ASP 124 Ca 0.51 1.55 0.14 0.00 -3.30 0.00 0.00 52.55 51.45 2uzg s ASP 124 Cb -0.10 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2uzg s ASP 124 CO 0.28 -0.11 1.36 0.03 0.70 0.00 0.00 175.17 177.43 2uzg h ARG 125 N 6.18 0.00 -3.51 2.11 3.08 -1.96 -3.46 114.38 116.82 2uzg h ARG 125 Ca -0.42 0.00 0.21 0.00 0.07 0.00 0.00 59.98 59.84 2uzg h ARG 125 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.14 2uzg h ARG 125 CO 0.73 0.55 -1.14 1.63 -1.07 0.00 0.00 179.97 180.68 2uzg n LYS 126 N -3.21 -3.55 -1.44 0.04 5.02 -1.26 -5.00 118.16 108.75 2uzg n LYS 126 Ca 0.01 2.85 0.12 0.00 -2.02 0.00 0.00 58.31 59.26 2uzg n LYS 126 Cb 0.78 -3.85 -0.07 0.00 -0.02 0.00 0.00 35.03 31.87 2uzg n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2uzg n LEU 127 N -3.65 -1.20 0.00 -0.35 4.77 -1.26 -4.79 117.00 110.52 2uzg n LEU 127 Ca -0.06 2.50 0.00 0.00 -0.03 0.00 0.00 56.01 58.42 2uzg n LEU 127 Cb 0.60 -2.98 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2uzg n LEU 127 CO 0.02 -1.70 0.00 0.61 -1.33 0.00 0.00 177.39 174.99 2uzg n GLY 128 N -3.79 2.20 0.28 -0.72 0.00 -1.26 -4.69 105.19 97.21 2uzg n GLY 128 Ca -0.07 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.61 2uzg n GLY 128 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2uzg h THR 129 N 0.00 1.14 0.00 2.61 2.02 -2.00 -3.56 112.91 113.12 2uzg h THR 129 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2uzg h THR 129 Cb 0.00 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2uzg h THR 129 CO 0.00 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.06