#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 0.09 0.36 0.55 0.01 -1.26 -5.18 114.94 109.51 2uzg s ASN 37 Ca 0.00 -1.03 -0.17 0.00 -0.71 0.00 0.00 52.86 50.95 2uzg s ASN 37 Cb 0.00 0.42 0.05 0.00 0.41 0.00 0.00 41.25 42.13 2uzg s ASN 37 CO 0.00 -0.89 0.80 -2.28 -1.51 0.00 0.00 177.10 173.22 2uzg s HIS 38 N -4.02 0.08 -0.02 2.20 2.46 -1.26 -5.15 115.29 109.57 2uzg s HIS 38 Ca 0.23 -0.72 -0.22 0.00 0.47 0.00 0.00 55.06 54.82 2uzg s HIS 38 Cb 0.04 0.82 -0.05 0.00 -0.13 0.00 0.00 32.58 33.26 2uzg s HIS 38 CO 0.04 -1.50 0.65 0.00 -2.47 0.00 0.00 174.74 171.46 2uzg h PRO 40 N 6.08 0.60 -0.45 0.00 0.13 -2.01 -0.99 132.00 135.36 2uzg h PRO 40 Ca -0.43 -0.26 0.08 0.00 -0.87 0.00 0.00 66.00 64.51 2uzg h PRO 40 Cb 1.20 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2uzg h PRO 40 CO 0.72 0.84 -0.36 0.45 -0.23 0.00 0.00 178.00 179.42 2uzg h HIS 41 N 0.34 -1.03 0.00 1.56 3.86 -1.97 0.13 115.15 118.05 2uzg h HIS 41 Ca 0.06 0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 59.14 2uzg h HIS 41 Cb 0.66 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2uzg h HIS 41 CO 0.06 -0.40 -0.86 1.37 0.86 0.00 0.00 177.93 178.96 2uzg h LEU 42 N -0.26 0.23 -2.46 2.43 8.10 -1.92 -3.10 115.31 118.33 2uzg h LEU 42 Ca 0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2uzg h LEU 42 Cb 0.56 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2uzg h LEU 42 CO -0.58 0.99 -0.02 -0.78 -4.11 0.00 0.00 178.44 173.93 2uzg h ASP 43 N 0.10 0.00 0.13 0.17 -0.00 0.05 -2.71 116.42 114.15 2uzg h ASP 43 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.03 56.71 2uzg h ASP 43 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.82 2uzg h ASP 43 CO 0.13 0.02 -1.39 0.77 -0.00 0.00 0.00 179.24 178.78 2uzg h SER 44 N 0.00 0.43 -2.94 2.28 4.64 -0.73 -3.46 113.55 113.78 2uzg h SER 44 Ca -0.00 -0.87 -0.54 0.00 -0.47 0.00 0.00 61.79 59.90 2uzg h SER 44 Cb 0.13 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2uzg h SER 44 CO 0.00 1.62 0.80 0.68 -0.87 0.00 0.00 176.83 179.06 2uzg s VAL 45 N -2.49 3.68 0.28 0.95 -7.23 -1.02 -4.97 120.40 109.59 2uzg s VAL 45 Ca -0.19 1.10 -0.05 0.00 -1.81 0.00 0.00 61.98 61.03 2uzg s VAL 45 Cb 0.04 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.35 2uzg s VAL 45 CO 0.79 0.01 0.17 0.61 -0.31 0.00 0.00 175.10 176.37 2uzg n GLY 46 N 3.60 -3.70 3.89 2.32 0.00 -1.26 -4.80 105.19 105.23 2uzg n GLY 46 Ca 0.13 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.40 3.54 0.22 1.61 2.12 -1.26 -4.32 118.70 117.21 2uzg s GLU 47 Ca 0.13 -0.14 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 2uzg s GLU 47 Cb -0.02 -3.08 -0.08 0.00 0.26 0.00 0.00 34.13 31.21 2uzg s GLU 47 CO 0.11 0.65 0.65 -1.50 -0.54 0.00 0.00 175.26 174.62 2uzg s ILE 48 N -1.31 4.74 0.46 -3.70 2.07 -1.26 -4.85 121.20 117.34 2uzg s ILE 48 Ca 0.28 0.94 -0.04 0.00 -1.41 0.00 0.00 60.65 60.42 2uzg s ILE 48 Cb -0.13 -3.73 -0.03 0.00 0.13 0.00 0.00 42.46 38.70 2uzg s ILE 48 CO 0.17 0.09 0.74 0.42 -1.91 0.00 0.00 174.94 174.45 2uzg s THR 49 N -1.65 4.92 0.18 4.00 -4.23 -1.26 -4.96 115.64 112.64 2uzg s THR 49 Ca 0.44 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.89 2uzg s THR 49 Cb -0.14 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.93 2uzg s THR 49 CO 0.20 -0.79 1.84 0.11 -0.54 0.00 0.00 174.62 175.44 2uzg h LYS 50 N 0.32 0.71 -0.40 3.99 1.57 -1.99 -1.51 116.57 119.27 2uzg h LYS 50 Ca -0.47 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2uzg h LYS 50 Cb 1.21 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2uzg h LYS 50 CO 0.62 0.47 0.27 0.93 -0.57 0.00 0.00 179.45 181.16 2uzg h GLU 51 N 0.73 0.39 -0.15 3.15 4.39 -1.99 0.29 114.58 121.39 2uzg h GLU 51 Ca 0.21 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.76 2uzg h GLU 51 Cb -0.05 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2uzg h GLU 51 CO -0.06 0.26 -0.43 -0.44 -1.16 0.00 0.00 179.01 177.18 2uzg h ASP 52 N 0.40 0.63 0.37 1.42 3.45 -1.72 -3.20 116.42 117.76 2uzg h ASP 52 Ca 0.16 -0.59 -0.13 0.00 0.43 0.00 0.00 57.03 56.90 2uzg h ASP 52 Cb 0.16 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 2uzg h ASP 52 CO -0.04 1.11 -0.54 -0.07 -1.57 0.00 0.00 179.24 178.14 2uzg h LEU 53 N 0.19 0.20 -0.87 1.55 3.38 -0.59 -3.12 115.31 116.05 2uzg h LEU 53 Ca -0.01 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.95 2uzg h LEU 53 Cb 1.05 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 2uzg h LEU 53 CO 0.09 0.70 0.52 0.40 0.09 0.00 0.00 178.44 180.24 2uzg h ILE 54 N 0.14 0.92 -0.15 1.22 2.04 -0.45 0.87 117.51 122.11 2uzg h ILE 54 Ca 0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2uzg h ILE 54 Cb 0.99 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2uzg h ILE 54 CO 0.08 0.16 0.03 -0.61 0.00 0.00 0.00 178.15 177.80 2uzg h GLN 55 N 0.85 0.24 -0.14 2.37 4.15 -1.56 -2.05 115.11 118.97 2uzg h GLN 55 Ca 0.42 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.71 2uzg h GLN 55 Cb 0.38 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2uzg h GLN 55 CO -0.25 0.42 -0.22 0.87 -1.93 0.00 0.00 178.83 177.72 2uzg h LYS 56 N 0.02 0.24 0.00 1.69 1.57 -1.40 -1.73 116.57 116.97 2uzg h LYS 56 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2uzg h LYS 56 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2uzg h LYS 56 CO 0.00 0.46 0.00 -1.13 -0.57 0.00 0.00 179.45 178.21 2uzg n SER 57 N -4.19 0.36 0.30 0.86 3.41 0.29 -2.89 113.62 111.76 2uzg n SER 57 Ca -0.01 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.38 2uzg n SER 57 Cb 0.34 -0.66 1.03 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.73 1.04 3.38 -0.60 -3.46 115.31 114.94 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 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 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 -0.90 0.76 3.01 0.83 0.00 -1.14 -4.65 105.19 103.10 2uzg n GLY 59 Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.29 -0.01 0.19 2.61 -4.23 -1.18 -0.37 115.64 110.36 2uzg s THR 60 Ca 0.00 0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.36 2uzg s THR 60 Cb 0.00 -0.23 -0.08 0.00 1.34 0.00 0.00 72.50 73.54 2uzg s THR 60 CO 0.00 0.01 0.66 0.00 -0.54 0.00 0.00 174.62 174.76 2uzg h GLN 62 N 3.53 0.27 0.00 0.00 5.75 -1.56 -3.36 115.11 119.74 2uzg h GLN 62 Ca -0.48 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 57.66 2uzg h GLN 62 Cb 1.19 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 2uzg h GLN 62 CO 0.65 1.07 -0.13 -0.44 -2.65 0.00 0.00 178.83 177.32 2uzg h ASP 63 N 0.13 0.00 -1.99 -0.69 5.19 -1.95 -3.49 116.42 113.63 2uzg h ASP 63 Ca -0.07 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 55.70 2uzg h ASP 63 Cb 1.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.16 2uzg h ASP 63 CO 0.16 0.90 0.00 0.00 -3.12 0.00 0.00 179.24 177.18 2uzg s LYS 65 N -0.57 2.50 -0.21 0.00 2.36 -1.26 -3.76 119.74 118.80 2uzg s LYS 65 Ca 0.00 -1.56 -0.01 0.00 -2.55 0.00 0.00 55.97 51.85 2uzg s LYS 65 Cb 0.00 -3.77 0.06 0.00 -1.05 0.00 0.00 37.83 33.07 2uzg s LYS 65 CO 0.00 -1.01 -0.03 0.08 1.55 0.00 0.00 175.35 175.95 2uzg s VAL 66 N 1.37 1.12 -0.08 4.02 1.01 -1.26 -4.91 120.40 121.68 2uzg s VAL 66 Ca 0.04 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2uzg s VAL 66 Cb -0.24 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2uzg s VAL 66 CO 0.01 -0.08 1.11 -1.10 0.00 0.00 0.00 175.10 175.03 2uzg s GLN 67 N 1.59 4.39 1.14 2.72 -0.21 -1.24 -3.12 119.66 124.93 2uzg s GLN 67 Ca -0.03 1.54 -0.15 0.00 0.02 0.00 0.00 55.36 56.75 2uzg s GLN 67 Cb -0.17 -3.55 0.21 0.00 1.00 0.00 0.00 33.01 30.50 2uzg s GLN 67 CO -0.07 -0.38 0.66 0.41 -2.12 0.00 0.00 175.29 173.79 2uzg n GLY 68 N 3.23 -2.11 0.00 3.09 0.00 0.50 -4.83 105.19 105.08 2uzg n GLY 68 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.85 1.09 -2.25 1.61 -0.02 -1.26 -5.00 135.00 125.31 2uzg n PRO 69 Ca 0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.47 2uzg n PRO 69 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 0.00 -5.23 -3.71 2.55 3.02 -1.26 -5.06 115.26 105.57 2uzg n ASN 70 Ca 0.00 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.65 2uzg n ASN 70 Cb 0.00 -3.39 -0.09 0.00 -0.61 0.00 0.00 39.78 35.69 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 -2.08 0.33 0.27 3.41 1.43 -1.26 -4.90 118.68 115.88 2uzg s LEU 71 Ca 0.11 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 53.94 2uzg s LEU 71 Cb -0.03 1.60 -0.04 0.00 0.03 0.00 0.00 46.19 47.74 2uzg s LEU 71 CO 0.42 -0.31 -0.04 0.26 0.23 0.00 0.00 176.35 176.91 2uzg s TRP 72 N -0.46 2.63 -0.04 0.29 0.52 0.18 -1.22 118.94 120.84 2uzg s TRP 72 Ca -0.06 -0.24 -0.04 0.00 0.02 0.00 0.00 56.10 55.78 2uzg s TRP 72 Cb -0.03 -1.16 0.01 0.00 -1.15 0.00 0.00 33.47 31.13 2uzg s TRP 72 CO 0.03 0.64 0.10 0.00 0.02 0.00 0.00 176.95 177.74 2uzg s ALA 73 N -2.36 -0.26 0.22 0.98 0.00 -0.36 -1.10 121.76 118.88 2uzg s ALA 73 Ca 0.31 0.24 -0.32 0.00 0.00 0.00 0.00 51.96 52.19 2uzg s ALA 73 Cb -0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 23.12 22.78 2uzg s ALA 73 CO 0.19 -0.07 1.53 0.00 0.00 0.00 0.00 175.76 177.42 2uzg h LEU 75 N 5.17 0.00 -9.64 0.00 5.85 -1.65 -3.45 115.31 111.59 2uzg h LEU 75 Ca -0.45 -0.11 -0.57 0.00 0.84 0.00 0.00 57.88 57.59 2uzg h LEU 75 Cb 1.25 0.00 0.08 0.00 0.37 0.00 0.00 40.66 42.36 2uzg h LEU 75 CO 0.83 0.06 0.73 1.21 -0.34 0.00 0.00 178.44 180.92 2uzg n GLU 76 N -2.22 2.27 -0.22 1.25 4.07 -1.26 -4.57 120.64 119.96 2uzg n GLU 76 Ca 0.04 0.81 -0.09 0.00 -0.06 0.00 0.00 57.16 57.86 2uzg n GLU 76 Cb 0.44 -2.52 0.03 0.00 -0.06 0.00 0.00 31.44 29.33 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 4.69 1.06 1.34 4.31 -1.24 -1.87 -2.83 115.58 121.05 2uzg h ASN 77 Ca -0.45 -0.29 -0.08 0.00 0.71 0.00 0.00 56.30 56.18 2uzg h ASN 77 Cb 1.26 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 2uzg h ASN 77 CO 0.79 1.09 -0.39 0.03 -1.29 0.00 0.00 177.43 177.66 2uzg h ARG 78 N 1.00 0.00 -5.43 6.67 2.47 -1.96 -3.44 114.38 113.69 2uzg h ARG 78 Ca 0.18 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.27 2uzg h ARG 78 Cb 0.53 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.75 2uzg h ARG 78 CO 0.03 0.39 -0.49 0.00 0.56 0.00 0.00 179.97 180.46 2uzg n SER 80 N 2.87 3.57 -4.85 0.00 2.88 -1.26 -4.35 113.62 112.47 2uzg n SER 80 Ca -0.18 -3.07 -0.33 0.00 -1.33 0.00 0.00 58.87 53.96 2uzg n SER 80 Cb 0.53 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2uzg s TYR 81 N -3.66 3.46 -0.13 0.66 4.12 -1.26 -4.95 117.35 115.58 2uzg s TYR 81 Ca 0.41 1.12 -0.00 0.00 0.02 0.00 0.00 57.07 58.62 2uzg s TYR 81 Cb 0.37 -2.45 -0.01 0.00 -1.52 0.00 0.00 41.96 38.35 2uzg s TYR 81 CO 0.01 0.22 -0.12 0.08 0.02 0.00 0.00 175.55 175.76 2uzg s VAL 82 N -1.80 3.09 0.09 0.71 1.01 -1.26 -1.30 120.40 120.93 2uzg s VAL 82 Ca 0.48 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2uzg s VAL 82 Cb -0.12 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2uzg s VAL 82 CO 0.19 0.52 0.08 -0.83 0.00 0.00 0.00 175.10 175.07 2uzg s GLY 83 N 0.40 0.43 -0.06 4.51 0.00 -0.26 -1.24 107.32 111.09 2uzg s GLY 83 Ca -0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 2uzg s GLY 83 CO 0.05 -1.11 0.08 0.00 0.00 0.00 0.00 173.10 172.12 2uzg n GLY 85 N 1.62 -2.05 0.30 0.00 0.00 -1.26 0.61 105.19 104.42 2uzg n GLY 85 Ca -0.16 -1.46 0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.90 0.35 114.58 119.45 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2uzg h GLU 86 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 179.01 179.31 2uzg h SER 87 N 0.00 0.00 0.00 1.04 0.87 -2.00 -3.38 113.55 110.08 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 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 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 -2.79 0.00 -0.37 2.24 1.13 -0.55 -5.00 117.38 112.04 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 0.10 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.45 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 -2.03 0.00 -2.75 5.09 0.31 -1.04 -5.00 118.33 112.91 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 0.50 -0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 -4.25 -0.26 4.52 2.03 0.11 -4.82 116.55 113.88 2uzg n ASP 90 Ca 0.00 -0.03 0.11 0.00 0.52 0.00 0.00 54.79 55.39 2uzg n ASP 90 Cb 0.61 -3.56 0.37 0.00 -0.72 0.00 0.00 41.12 37.83 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2uzg h HIS 91 N -0.42 0.82 -0.70 -0.67 3.86 0.02 0.80 115.15 118.87 2uzg h HIS 91 Ca -0.37 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.88 2uzg h HIS 91 Cb 1.26 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.44 2uzg h HIS 91 CO 0.66 0.33 0.46 1.03 0.86 0.00 0.00 177.93 181.27 2uzg h SER 92 N 0.72 0.78 -0.00 2.45 0.87 -1.60 0.17 113.55 116.92 2uzg h SER 92 Ca 0.43 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2uzg h SER 92 Cb 0.63 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2uzg h SER 92 CO -0.19 0.55 -0.01 0.74 -0.53 0.00 0.00 176.83 177.40 2uzg h THR 93 N 0.91 1.45 -0.03 2.23 2.02 -1.15 -0.71 112.91 117.63 2uzg h THR 93 Ca 0.26 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 66.13 2uzg h THR 93 Cb -0.05 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 2uzg h THR 93 CO -0.06 0.35 -0.05 0.40 0.37 0.00 0.00 175.52 176.52 2uzg h ILE 94 N -0.54 0.85 -0.80 3.11 2.04 -1.05 -1.41 117.51 119.71 2uzg h ILE 94 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2uzg h ILE 94 Cb 0.57 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2uzg h ILE 94 CO 0.00 0.00 0.53 -0.74 0.00 0.00 0.00 178.15 177.94 2uzg h HIS 95 N -0.08 0.98 -0.74 1.37 2.76 -0.74 -0.90 115.15 117.81 2uzg h HIS 95 Ca 0.03 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 2uzg h HIS 95 Cb 0.12 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2uzg h HIS 95 CO -0.14 0.59 0.47 1.03 -1.30 0.00 0.00 177.93 178.57 2uzg h SER 96 N 1.03 0.77 -0.04 3.26 0.87 -0.26 -1.75 113.55 117.43 2uzg h SER 96 Ca 0.31 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2uzg h SER 96 Cb -0.03 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2uzg h SER 96 CO -0.08 0.53 -0.05 1.56 -0.53 0.00 0.00 176.83 178.26 2uzg h GLN 97 N 0.91 0.10 -0.56 2.24 7.50 -0.49 0.87 115.11 125.68 2uzg h GLN 97 Ca 0.29 -0.06 0.11 0.00 0.50 0.00 0.00 58.65 59.50 2uzg h GLN 97 Cb 0.01 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.45 2uzg h GLN 97 CO -0.11 0.60 -0.03 0.93 -1.50 0.00 0.00 178.83 178.73 2uzg h GLU 98 N -0.39 0.09 -0.53 1.46 5.08 -0.98 -1.71 114.58 117.59 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 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 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 -5.29 1.30 -1.71 1.13 -2.24 -0.68 -4.94 114.28 101.85 2uzg n THR 99 Ca 0.07 -1.12 -0.18 0.00 -2.27 0.00 0.00 64.05 60.55 2uzg n THR 99 Cb 0.31 0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.92 -1.50 -2.84 -0.78 5.02 0.18 -4.89 118.16 114.27 2uzg n LYS 100 Ca 0.20 1.01 -0.43 0.00 -2.02 0.00 0.00 58.31 57.07 2uzg n LYS 100 Cb 0.63 -5.41 -0.03 0.00 -0.02 0.00 0.00 35.03 30.20 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2uzg s HIS 101 N -2.59 2.77 -0.26 2.13 3.76 0.25 -4.87 115.29 116.48 2uzg s HIS 101 Ca 0.00 -0.79 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 2uzg s HIS 101 Cb 0.00 -4.34 0.37 0.00 1.11 0.00 0.00 32.58 29.72 2uzg s HIS 101 CO 0.00 -1.65 1.49 0.66 -0.85 0.00 0.00 174.74 174.39 2uzg n TYR 102 N 7.54 1.65 -3.83 1.40 4.01 -1.26 -4.04 117.16 122.64 2uzg n TYR 102 Ca 0.07 -1.20 -0.26 0.00 -0.16 0.00 0.00 57.90 56.35 2uzg n TYR 102 Cb 0.47 -0.62 -0.17 0.00 -0.31 0.00 0.00 39.34 38.71 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 -1.78 1.09 -0.01 7.72 2.01 -1.26 -1.51 118.68 124.94 2uzg s LEU 103 Ca 0.31 -0.40 0.02 0.00 0.01 0.00 0.00 54.13 54.07 2uzg s LEU 103 Cb 0.26 -0.68 -0.00 0.00 0.01 0.00 0.00 46.19 45.77 2uzg s LEU 103 CO 0.06 -0.19 -0.07 0.28 1.01 0.00 0.00 176.35 177.44 2uzg s THR 104 N 1.80 0.59 -0.17 5.49 -1.32 -0.79 -1.77 115.64 119.47 2uzg s THR 104 Ca 0.03 -0.31 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 2uzg s THR 104 Cb -0.14 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 2uzg s THR 104 CO -0.07 0.17 -0.20 0.54 -2.21 0.00 0.00 174.62 172.85 2uzg s VAL 105 N -0.09 2.04 -0.24 5.08 0.11 -0.34 0.39 120.40 127.35 2uzg s VAL 105 Ca 0.02 -0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 57.85 2uzg s VAL 105 Cb -0.04 -1.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.98 2uzg s VAL 105 CO -0.00 0.54 1.01 0.54 -3.33 0.00 0.00 175.10 173.85 2uzg s ASN 106 N 1.24 7.04 0.10 3.54 2.20 0.72 -1.23 114.94 128.55 2uzg s ASN 106 Ca 0.04 1.29 0.20 0.00 -0.94 0.00 0.00 52.86 53.45 2uzg s ASN 106 Cb -0.13 -2.52 0.83 0.00 -2.00 0.00 0.00 41.25 37.43 2uzg s ASN 106 CO -0.12 -0.66 1.63 0.18 -2.94 0.00 0.00 177.10 175.19 2uzg n LEU 107 N 6.31 0.29 -0.08 3.54 4.32 -0.36 0.39 117.00 131.41 2uzg n LEU 107 Ca 0.11 0.56 -0.12 0.00 -0.02 0.00 0.00 56.01 56.54 2uzg n LEU 107 Cb 0.46 -0.51 -0.05 0.00 -1.62 0.00 0.00 43.42 41.70 2uzg n LEU 107 CO 0.52 -0.31 0.66 0.74 -1.22 0.00 0.00 177.39 177.77 2uzg h THR 108 N 0.00 1.30 -0.00 -5.08 2.02 -1.91 -3.34 112.91 105.90 2uzg h THR 108 Ca 0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2uzg h THR 108 Cb 0.36 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2uzg h THR 108 CO 0.00 0.36 -0.00 0.35 0.37 0.00 0.00 175.52 176.60 2uzg n THR 109 N -4.52 0.00 -3.45 3.16 -2.24 -1.19 -4.98 114.28 101.05 2uzg n THR 109 Ca -0.05 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.03 2uzg n THR 109 Cb 0.34 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.66 2uzg n THR 109 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2uzg n LEU 110 N 0.06 -3.30 -4.53 3.22 4.77 0.16 -5.01 117.00 112.36 2uzg n LEU 110 Ca 0.01 -0.49 -0.30 0.00 -0.03 0.00 0.00 56.01 55.20 2uzg n LEU 110 Cb 0.03 -2.76 -0.11 0.00 -2.33 0.00 0.00 43.42 38.25 2uzg n LEU 110 CO 0.01 0.56 -0.45 -0.13 -1.33 0.00 0.00 177.39 176.05 2uzg s ARG 111 N -6.08 2.08 0.08 3.23 3.00 -1.03 -4.92 118.95 115.32 2uzg s ARG 111 Ca 0.47 -1.02 0.03 0.00 0.00 0.00 0.00 55.73 55.21 2uzg s ARG 111 Cb -0.21 -2.26 -0.04 0.00 0.00 0.00 0.00 34.95 32.44 2uzg s ARG 111 CO 0.65 0.52 0.09 0.08 0.00 0.00 0.00 175.30 176.64 2uzg s VAL 112 N -1.11 4.59 -0.01 3.52 1.01 -1.22 -0.20 120.40 126.98 2uzg s VAL 112 Ca 0.19 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2uzg s VAL 112 Cb -0.11 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2uzg s VAL 112 CO 0.10 0.12 -0.11 0.86 0.00 0.00 0.00 175.10 176.07 2uzg s TRP 113 N -1.40 1.00 -0.29 5.22 -0.11 0.16 -1.74 118.94 121.78 2uzg s TRP 113 Ca 0.30 -0.19 -0.02 0.00 1.22 0.00 0.00 56.10 57.41 2uzg s TRP 113 Cb -0.12 -0.65 0.05 0.00 -1.50 0.00 0.00 33.47 31.25 2uzg s TRP 113 CO 0.22 -0.02 -0.02 0.00 -4.62 0.00 0.00 176.95 172.52 2uzg h TYR 115 N 7.99 0.91 0.24 0.00 -1.99 -1.53 0.12 116.97 122.71 2uzg h TYR 115 Ca -0.23 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.24 2uzg h TYR 115 Cb 1.07 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.60 2uzg h TYR 115 CO 0.61 1.01 -0.13 0.00 -0.00 0.00 0.00 178.16 179.66 2uzg h ALA 116 N 0.75 -0.34 -0.01 3.88 0.00 -1.95 -2.55 119.26 119.05 2uzg h ALA 116 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.83 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2uzg h ALA 116 CO 0.07 -0.69 -0.46 0.00 0.00 0.00 0.00 179.25 178.17 2uzg n SER 118 N -3.99 -2.18 -3.80 0.00 7.64 0.32 -5.05 113.62 106.57 2uzg n SER 118 Ca -0.02 -0.12 0.03 0.00 1.01 0.00 0.00 58.87 59.77 2uzg n SER 118 Cb 0.48 -1.39 0.01 0.00 -1.01 0.00 0.00 64.21 62.31 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 -4.07 0.37 0.32 1.43 0.00 -0.72 -5.04 119.74 112.04 2uzg s LYS 119 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 55.97 55.59 2uzg s LYS 119 Cb -0.00 0.11 -0.09 0.00 0.00 0.00 0.00 37.83 37.84 2uzg s LYS 119 CO 0.14 -0.18 0.75 -2.00 0.00 0.00 0.00 175.35 174.06 2uzg s GLU 120 N -2.07 4.04 0.13 1.78 2.12 -1.26 -0.45 118.70 123.00 2uzg s GLU 120 Ca 0.27 0.72 -0.00 0.00 0.36 0.00 0.00 54.97 56.32 2uzg s GLU 120 Cb 0.00 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 2uzg s GLU 120 CO -0.01 0.17 0.04 0.14 -0.54 0.00 0.00 175.26 175.05 2uzg s VAL 121 N -1.95 0.23 0.09 3.70 -7.23 -0.71 -4.84 120.40 109.69 2uzg s VAL 121 Ca 0.54 -1.92 0.09 0.00 -1.81 0.00 0.00 61.98 58.88 2uzg s VAL 121 Cb -0.11 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2uzg s VAL 121 CO 0.17 -0.51 -0.22 0.72 -0.31 0.00 0.00 175.10 174.95 2uzg s PHE 122 N -3.96 1.93 0.09 2.82 -0.71 -1.26 -3.44 117.98 113.45 2uzg s PHE 122 Ca 0.23 -0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 55.71 2uzg s PHE 122 Cb 0.07 -1.08 -0.04 0.00 -1.21 0.00 0.00 43.02 40.76 2uzg s PHE 122 CO 0.01 0.20 0.26 -0.51 -1.34 0.00 0.00 175.22 173.85 2uzg s LEU 123 N -1.73 4.33 -0.31 -1.99 2.01 -1.26 -5.05 118.68 114.68 2uzg s LEU 123 Ca 0.08 0.35 -0.07 0.00 0.01 0.00 0.00 54.13 54.51 2uzg s LEU 123 Cb -0.10 -3.06 0.02 0.00 0.01 0.00 0.00 46.19 43.07 2uzg s LEU 123 CO 0.04 0.13 0.10 -1.81 1.01 0.00 0.00 176.35 175.81 2uzg s ASP 124 N -2.54 5.22 -0.12 2.29 1.01 -1.26 -4.92 116.67 116.36 2uzg s ASP 124 Ca 0.37 -0.84 0.07 0.00 0.71 0.00 0.00 52.55 52.86 2uzg s ASP 124 Cb -0.13 -1.89 -0.12 0.00 1.01 0.00 0.00 42.92 41.80 2uzg s ASP 124 CO 0.27 -0.24 -0.02 -1.14 0.21 0.00 0.00 175.17 174.25 2uzg n ARG 125 N 4.86 1.59 -2.58 8.23 0.63 -1.26 -4.95 116.66 123.19 2uzg n ARG 125 Ca -0.14 0.02 -0.43 0.00 -0.92 0.00 0.00 57.85 56.39 2uzg n ARG 125 Cb 0.47 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.08 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 -2.27 4.09 -0.10 -0.14 2.36 -1.26 -4.87 119.74 117.55 2uzg s LYS 126 Ca -0.10 1.21 0.13 0.00 -2.55 0.00 0.00 55.97 54.66 2uzg s LYS 126 Cb 0.04 -3.75 0.25 0.00 -1.05 0.00 0.00 37.83 33.32 2uzg s LYS 126 CO 0.40 -0.88 1.12 1.28 1.55 0.00 0.00 175.35 178.82 2uzg n LEU 127 N 6.89 1.63 -3.76 5.43 4.77 -1.26 -5.00 117.00 125.71 2uzg n LEU 127 Ca 0.13 -2.55 -0.24 0.00 -0.03 0.00 0.00 56.01 53.31 2uzg n LEU 127 Cb 0.47 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2uzg n LEU 127 CO 0.58 0.69 0.01 0.61 -1.33 0.00 0.00 177.39 177.96 2uzg n GLY 128 N -0.79 -0.37 0.12 -0.72 0.00 -1.26 -4.79 105.19 97.38 2uzg n GLY 128 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2uzg n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uzg n THR 129 N -4.45 0.00 1.47 2.61 -2.24 -1.26 -5.33 114.28 105.08 2uzg n THR 129 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 2uzg n THR 129 Cb 0.62 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.55 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50