#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 -0.40 0.00 0.55 4.21 -2.01 -3.47 115.58 114.46 2uzg h ASN 37 Ca 0.00 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.46 2uzg h ASN 37 Cb 0.00 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2uzg h ASN 37 CO 0.00 -0.21 0.00 0.00 -1.29 0.00 0.00 177.43 175.93 2uzg n HIS 38 N -5.25 0.00 -4.87 1.19 1.44 -1.26 -5.13 115.22 101.34 2uzg n HIS 38 Ca -0.10 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.33 2uzg n HIS 38 Cb 0.23 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.18 2uzg n HIS 38 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2uzg h PRO 40 N 6.56 0.00 0.22 0.00 0.13 -2.00 -1.64 132.00 135.27 2uzg h PRO 40 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2uzg h PRO 40 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2uzg h PRO 40 CO 0.47 0.33 -0.11 0.45 -0.23 0.00 0.00 178.00 178.92 2uzg h HIS 41 N 0.00 -0.28 0.13 1.56 3.86 -2.00 -3.08 115.15 115.34 2uzg h HIS 41 Ca -0.00 -0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.92 2uzg h HIS 41 Cb 0.81 0.09 0.02 0.00 1.06 0.00 0.00 27.41 29.39 2uzg h HIS 41 CO 0.00 0.08 -1.23 1.37 0.86 0.00 0.00 177.93 179.01 2uzg h LEU 42 N -0.69 0.67 -2.76 2.43 8.10 -1.93 -3.25 115.31 117.88 2uzg h LEU 42 Ca -0.03 -0.64 0.00 0.00 0.11 0.00 0.00 57.88 57.32 2uzg h LEU 42 Cb 0.48 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 2uzg h LEU 42 CO 0.05 1.48 0.03 -2.24 -4.11 0.00 0.00 178.44 173.65 2uzg h ASP 43 N 0.18 0.00 0.15 0.17 -0.00 -1.41 -2.31 116.42 113.20 2uzg h ASP 43 Ca -0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 57.03 56.60 2uzg h ASP 43 Cb 1.92 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 41.26 2uzg h ASP 43 CO 0.22 0.00 -1.28 0.28 -0.00 0.00 0.00 179.24 178.46 2uzg h SER 44 N 0.00 0.48 -3.81 4.15 0.02 -1.57 -3.46 113.55 109.36 2uzg h SER 44 Ca 0.00 -0.90 -0.52 0.00 -0.84 0.00 0.00 61.79 59.54 2uzg h SER 44 Cb 0.07 -0.16 0.05 0.00 0.14 0.00 0.00 62.40 62.51 2uzg h SER 44 CO -0.00 1.58 0.60 0.68 -1.14 0.00 0.00 176.83 178.56 2uzg s VAL 45 N -2.49 2.94 0.00 2.27 -7.23 -0.87 -4.99 120.40 110.03 2uzg s VAL 45 Ca -0.17 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 2uzg s VAL 45 Cb 0.03 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.39 2uzg s VAL 45 CO 0.81 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 176.42 2uzg n GLY 46 N 1.06 0.36 3.10 2.32 0.00 -1.26 -4.87 105.19 105.90 2uzg n GLY 46 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.65 0.07 1.61 2.12 -1.26 -4.62 118.70 117.27 2uzg s GLU 47 Ca 0.00 -1.22 0.03 0.00 0.36 0.00 0.00 54.97 54.15 2uzg s GLU 47 Cb 0.00 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2uzg s GLU 47 CO 0.00 -0.13 0.04 0.42 -0.54 0.00 0.00 175.26 175.05 2uzg s ILE 48 N -3.92 4.33 0.67 -3.70 1.01 -1.26 -4.72 121.20 113.60 2uzg s ILE 48 Ca 0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2uzg s ILE 48 Cb 0.08 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2uzg s ILE 48 CO -0.09 0.16 1.05 0.42 0.00 0.00 0.00 174.94 176.48 2uzg s THR 49 N -1.32 4.26 0.25 2.92 -4.23 -1.26 -4.88 115.64 111.38 2uzg s THR 49 Ca 0.27 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 2uzg s THR 49 Cb -0.12 -3.57 0.25 0.00 1.34 0.00 0.00 72.50 70.40 2uzg s THR 49 CO 0.19 -0.96 1.91 0.07 -0.54 0.00 0.00 174.62 175.29 2uzg h LYS 50 N -0.58 1.24 -0.86 3.99 5.09 -1.99 -1.41 116.57 122.05 2uzg h LYS 50 Ca -0.44 -0.07 0.03 0.00 0.09 0.00 0.00 60.65 60.26 2uzg h LYS 50 Cb 1.20 -0.28 -0.05 0.00 0.10 0.00 0.00 32.23 33.21 2uzg h LYS 50 CO 0.59 0.82 0.57 0.93 -2.09 0.00 0.00 179.45 180.26 2uzg h GLU 51 N 1.28 1.04 -0.15 0.07 4.39 -1.99 0.39 114.58 119.61 2uzg h GLU 51 Ca 0.37 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.87 2uzg h GLU 51 Cb -0.08 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.34 2uzg h GLU 51 CO -0.10 0.69 -0.45 -0.44 -1.16 0.00 0.00 179.01 177.56 2uzg h ASP 52 N 1.08 0.65 0.28 1.42 3.32 -1.74 -3.19 116.42 118.24 2uzg h ASP 52 Ca 0.34 -0.59 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 2uzg h ASP 52 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2uzg h ASP 52 CO -0.10 1.13 -0.43 -0.07 -1.72 0.00 0.00 179.24 178.06 2uzg h LEU 53 N 0.21 0.19 -0.46 1.55 3.38 -0.85 -3.05 115.31 116.27 2uzg h LEU 53 Ca -0.01 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2uzg h LEU 53 Cb 1.07 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2uzg h LEU 53 CO 0.10 0.60 0.18 0.40 0.09 0.00 0.00 178.44 179.81 2uzg h ILE 54 N 0.15 0.88 -0.64 1.22 2.04 -0.22 0.96 117.51 121.90 2uzg h ILE 54 Ca 0.01 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2uzg h ILE 54 Cb 0.82 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2uzg h ILE 54 CO 0.06 0.07 0.20 -0.61 0.00 0.00 0.00 178.15 177.87 2uzg h GLN 55 N 0.37 1.00 -0.10 2.37 5.75 -1.54 -2.17 115.11 120.79 2uzg h GLN 55 Ca 0.22 -0.22 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 2uzg h GLN 55 Cb 0.19 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2uzg h GLN 55 CO -0.20 0.88 -0.42 0.87 -2.65 0.00 0.00 178.83 177.30 2uzg h LYS 56 N 0.92 0.21 0.00 1.69 1.57 -1.27 -2.33 116.57 117.37 2uzg h LYS 56 Ca 0.21 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2uzg h LYS 56 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2uzg h LYS 56 CO -0.01 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.35 2uzg n SER 57 N -4.02 0.37 0.30 0.86 3.41 0.32 -2.86 113.62 112.00 2uzg n SER 57 Ca -0.02 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.38 2uzg n SER 57 Cb 0.48 -0.66 1.03 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.30 1.04 3.38 -0.83 -3.46 115.31 114.13 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 -0.91 0.53 3.02 0.83 0.00 -1.14 -4.83 105.19 102.70 2uzg n GLY 59 Ca -0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.27 -0.01 0.02 2.61 -4.23 -1.26 -0.96 115.64 109.55 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 73.56 2uzg s THR 60 CO 0.00 0.01 0.67 0.00 -0.54 0.00 0.00 174.62 174.76 2uzg n GLN 62 N 2.69 0.45 -0.06 0.00 7.27 -0.37 -3.92 117.38 123.44 2uzg n GLN 62 Ca -0.05 0.03 -0.13 0.00 0.07 0.00 0.00 57.00 56.92 2uzg n GLN 62 Cb 0.51 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.61 2uzg n GLN 62 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2uzg n ASP 63 N -1.24 1.23 -2.56 1.69 -0.08 -1.26 -4.97 116.55 109.37 2uzg n ASP 63 Ca 0.14 0.21 -0.05 0.00 -1.51 0.00 0.00 54.79 53.57 2uzg n ASP 63 Cb 0.19 -0.49 -0.00 0.00 2.34 0.00 0.00 41.12 43.16 2uzg n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2uzg n LYS 65 N -0.70 3.81 -4.14 0.00 5.02 -1.26 -4.19 118.16 116.70 2uzg n LYS 65 Ca -0.01 -4.69 -0.34 0.00 -2.02 0.00 0.00 58.31 51.25 2uzg n LYS 65 Cb 0.13 -2.37 -0.14 0.00 -0.02 0.00 0.00 35.03 32.63 2uzg n LYS 65 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2uzg s VAL 66 N -3.38 3.09 -0.49 -0.18 -7.23 -1.26 -5.01 120.40 105.94 2uzg s VAL 66 Ca 0.39 -0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 59.78 2uzg s VAL 66 Cb 0.16 -2.37 0.06 0.00 0.56 0.00 0.00 36.38 34.79 2uzg s VAL 66 CO -0.03 0.47 0.56 0.00 -0.31 0.00 0.00 175.10 175.78 2uzg s GLN 67 N 1.19 3.09 0.34 4.82 -2.07 -1.26 -3.06 119.66 122.71 2uzg s GLN 67 Ca 0.02 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.58 2uzg s GLN 67 Cb -0.14 -4.09 0.00 0.00 -1.09 0.00 0.00 33.01 27.68 2uzg s GLN 67 CO -0.03 -1.14 0.00 0.41 -1.32 0.00 0.00 175.29 173.21 2uzg n GLY 68 N 5.17 -0.81 0.00 2.60 0.00 -0.13 -4.99 105.19 107.03 2uzg n GLY 68 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2uzg n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uzg n PRO 69 N -2.03 0.00 -1.68 1.61 -0.04 -1.26 -4.95 135.00 126.65 2uzg n PRO 69 Ca 0.00 0.13 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 2uzg n PRO 69 Cb 0.25 -0.52 -0.05 0.00 -0.04 0.00 0.00 33.50 33.14 2uzg n PRO 69 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2uzg s ASN 70 N -2.57 4.38 0.02 3.54 0.02 -1.26 -4.70 114.94 114.37 2uzg s ASN 70 Ca 0.00 0.31 0.01 0.00 -1.02 0.00 0.00 52.86 52.16 2uzg s ASN 70 Cb 0.00 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.70 2uzg s ASN 70 CO 0.00 -3.25 0.04 -0.76 0.02 0.00 0.00 177.10 173.16 2uzg s LEU 71 N 12.72 3.69 0.08 0.60 1.43 -1.26 -4.40 118.68 131.54 2uzg s LEU 71 Ca 0.88 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2uzg s LEU 71 Cb -0.13 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2uzg s LEU 71 CO 0.14 0.25 -0.16 0.26 0.23 0.00 0.00 176.35 177.07 2uzg s TRP 72 N -1.20 2.61 0.00 0.29 0.52 0.12 -1.00 118.94 120.28 2uzg s TRP 72 Ca 0.23 -0.22 0.03 0.00 0.02 0.00 0.00 56.10 56.16 2uzg s TRP 72 Cb -0.12 -1.42 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2uzg s TRP 72 CO 0.14 0.35 -0.09 0.00 0.02 0.00 0.00 176.95 177.38 2uzg s ALA 73 N -1.08 0.74 0.21 0.98 0.00 -0.63 -0.10 121.76 121.88 2uzg s ALA 73 Ca 0.18 -0.46 -0.32 0.00 0.00 0.00 0.00 51.96 51.35 2uzg s ALA 73 Cb -0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 23.12 22.73 2uzg s ALA 73 CO 0.09 0.16 1.53 0.00 0.00 0.00 0.00 175.76 177.54 2uzg h LEU 75 N 5.28 0.00 -9.40 0.00 5.85 -1.64 -3.44 115.31 111.95 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 1.25 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.33 2uzg h LEU 75 CO 0.84 0.00 0.76 1.21 -0.34 0.00 0.00 178.44 180.91 2uzg n GLU 76 N -2.95 1.87 -0.33 1.25 4.07 -1.26 -4.47 120.64 118.83 2uzg n GLU 76 Ca 0.03 0.68 -0.04 0.00 -0.06 0.00 0.00 57.16 57.77 2uzg n GLU 76 Cb 0.53 -2.42 0.09 0.00 -0.06 0.00 0.00 31.44 29.58 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 6.07 1.06 1.53 4.31 -1.24 -1.84 -1.87 115.58 123.59 2uzg h ASN 77 Ca -0.46 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.49 2uzg h ASN 77 Cb 1.28 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2uzg h ASN 77 CO 0.87 0.81 0.00 0.03 -1.29 0.00 0.00 177.43 177.85 2uzg h ARG 78 N 1.22 0.00 -5.16 6.67 2.47 -1.93 -3.43 114.38 114.22 2uzg h ARG 78 Ca 0.32 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.40 2uzg h ARG 78 Cb -0.06 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.04 2uzg h ARG 78 CO -0.06 0.00 -0.66 0.00 0.56 0.00 0.00 179.97 179.81 2uzg n SER 80 N 4.10 2.61 -4.42 0.00 3.41 -1.26 -4.29 113.62 113.77 2uzg n SER 80 Ca -0.17 -3.19 -0.29 0.00 -0.26 0.00 0.00 58.87 54.95 2uzg n SER 80 Cb 0.52 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.99 2.41 -0.16 7.33 2.02 -1.26 -5.02 117.35 120.68 2uzg s TYR 81 Ca 0.37 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.70 2uzg s TYR 81 Cb 0.14 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 2uzg s TYR 81 CO -0.05 0.31 -0.02 0.08 -1.57 0.00 0.00 175.55 174.30 2uzg s VAL 82 N -1.03 4.03 0.10 0.71 1.01 -1.26 -1.73 120.40 122.23 2uzg s VAL 82 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2uzg s VAL 82 Cb -0.10 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2uzg s VAL 82 CO 0.07 0.49 0.01 -0.83 0.00 0.00 0.00 175.10 174.83 2uzg s GLY 83 N 0.39 0.76 -0.02 4.51 0.00 0.86 -1.23 107.32 112.58 2uzg s GLY 83 Ca -0.03 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 2uzg s GLY 83 CO 0.02 -1.36 0.10 0.00 0.00 0.00 0.00 173.10 171.86 2uzg n GLY 85 N 1.28 -0.36 0.29 0.00 0.00 -1.26 0.63 105.19 105.77 2uzg n GLY 85 Ca -0.14 -1.62 0.20 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.91 0.42 114.58 119.78 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 -1.91 -3.40 113.55 109.68 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 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 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 -0.36 3.45 1.13 -0.58 -5.01 117.38 113.21 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 -1.18 0.00 -3.55 5.09 0.31 -1.08 -5.00 118.33 112.91 2uzg n VAL 89 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2uzg n VAL 89 Cb 0.00 0.54 0.02 0.00 -0.91 0.00 0.00 33.84 33.48 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 -4.61 -0.15 4.52 4.64 0.14 -4.83 116.55 116.26 2uzg n ASP 90 Ca 0.00 -0.55 0.12 0.00 -1.38 0.00 0.00 54.79 52.98 2uzg n ASP 90 Cb 0.62 -3.74 0.46 0.00 -1.04 0.00 0.00 41.12 37.43 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 -1.53 0.56 -0.56 -0.67 3.86 0.02 0.88 115.15 117.71 2uzg h HIS 91 Ca -0.51 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.69 2uzg h HIS 91 Cb 1.34 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 2uzg h HIS 91 CO 0.60 0.24 0.25 0.77 0.86 0.00 0.00 177.93 180.66 2uzg h SER 92 N 0.50 0.72 -0.08 2.45 0.02 -1.64 0.19 113.55 115.71 2uzg h SER 92 Ca 0.34 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 2uzg h SER 92 Cb 0.62 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2uzg h SER 92 CO -0.11 0.63 -0.13 0.74 -1.14 0.00 0.00 176.83 176.82 2uzg h THR 93 N 0.79 1.40 -0.16 -2.27 2.02 -1.12 -0.96 112.91 112.61 2uzg h THR 93 Ca 0.20 -1.38 0.02 0.00 0.77 0.00 0.00 66.41 66.01 2uzg h THR 93 Cb 0.11 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2uzg h THR 93 CO -0.02 0.39 0.02 0.40 0.37 0.00 0.00 175.52 176.68 2uzg h ILE 94 N -0.24 0.92 -0.82 3.11 2.04 -1.08 -1.45 117.51 119.99 2uzg h ILE 94 Ca 0.01 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2uzg h ILE 94 Cb 0.69 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2uzg h ILE 94 CO 0.03 0.02 0.54 -0.74 0.00 0.00 0.00 178.15 178.00 2uzg h HIS 95 N 0.08 1.03 -0.71 1.37 2.76 -1.00 -1.60 115.15 117.09 2uzg h HIS 95 Ca 0.07 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2uzg h HIS 95 Cb 0.07 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 28.63 2uzg h HIS 95 CO -0.14 0.65 0.43 1.03 -1.30 0.00 0.00 177.93 178.60 2uzg h SER 96 N 1.11 0.69 -0.07 3.26 0.87 -0.22 -1.91 113.55 117.29 2uzg h SER 96 Ca 0.30 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2uzg h SER 96 Cb -0.12 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2uzg h SER 96 CO -0.07 0.47 -0.03 1.56 -0.53 0.00 0.00 176.83 178.24 2uzg h GLN 97 N 0.83 0.14 -0.54 2.24 7.50 -0.57 1.00 115.11 125.71 2uzg h GLN 97 Ca 0.29 -0.06 0.11 0.00 0.50 0.00 0.00 58.65 59.49 2uzg h GLN 97 Cb 0.07 -0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.50 2uzg h GLN 97 CO -0.13 0.50 -0.02 0.93 -1.50 0.00 0.00 178.83 178.61 2uzg h GLU 98 N -0.22 0.09 -0.40 1.46 5.08 -1.03 -1.83 114.58 117.73 2uzg h GLU 98 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2uzg h GLU 98 Cb 0.45 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 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 -5.27 2.05 -1.61 1.13 -2.24 -0.74 -4.94 114.28 102.65 2uzg n THR 99 Ca 0.06 -1.52 -0.12 0.00 -2.27 0.00 0.00 64.05 60.20 2uzg n THR 99 Cb 0.30 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.15 -1.50 -2.65 -0.78 2.85 0.28 -4.86 118.16 111.64 2uzg n LYS 100 Ca 0.21 0.67 -0.42 0.00 -1.05 0.00 0.00 58.31 57.73 2uzg n LYS 100 Cb 0.86 -4.98 -0.03 0.00 -0.65 0.00 0.00 35.03 30.22 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2uzg s HIS 101 N -2.15 2.52 -1.64 5.58 3.76 0.23 -4.83 115.29 118.76 2uzg s HIS 101 Ca 0.00 -0.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.48 2uzg s HIS 101 Cb 0.00 -4.54 0.28 0.00 1.11 0.00 0.00 32.58 29.43 2uzg s HIS 101 CO 0.00 -1.89 1.16 0.66 -0.85 0.00 0.00 174.74 173.82 2uzg n TYR 102 N 8.61 0.52 -3.96 1.40 4.02 -1.26 -4.13 117.16 122.36 2uzg n TYR 102 Ca 0.12 -0.22 -0.35 0.00 -0.01 0.00 0.00 57.90 57.44 2uzg n TYR 102 Cb 0.49 -0.07 -0.14 0.00 -0.02 0.00 0.00 39.34 39.59 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 -1.03 2.83 -0.02 7.72 2.01 -1.26 -0.64 118.68 128.29 2uzg s LEU 103 Ca 0.20 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.80 2uzg s LEU 103 Cb 0.12 -1.68 0.02 0.00 0.01 0.00 0.00 46.19 44.67 2uzg s LEU 103 CO 0.12 -0.04 0.01 0.28 1.01 0.00 0.00 176.35 177.72 2uzg s THR 104 N 1.41 0.05 -0.15 5.49 -1.32 -0.81 -1.85 115.64 118.46 2uzg s THR 104 Ca 0.04 0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.66 2uzg s THR 104 Cb -0.15 -0.14 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 2uzg s THR 104 CO -0.05 0.09 -0.21 0.54 -2.21 0.00 0.00 174.62 172.78 2uzg s VAL 105 N 0.78 2.02 -0.12 5.08 0.11 -0.75 0.30 120.40 127.81 2uzg s VAL 105 Ca -0.07 -0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 57.75 2uzg s VAL 105 Cb -0.10 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 2uzg s VAL 105 CO -0.02 0.54 1.18 0.54 -3.33 0.00 0.00 175.10 174.01 2uzg s ASN 106 N 1.00 7.04 0.37 3.54 2.20 -0.50 -1.60 114.94 126.99 2uzg s ASN 106 Ca -0.03 1.68 0.27 0.00 -0.94 0.00 0.00 52.86 53.85 2uzg s ASN 106 Cb -0.15 -2.55 1.02 0.00 -2.00 0.00 0.00 41.25 37.58 2uzg s ASN 106 CO -0.06 -0.65 1.80 -0.07 -2.94 0.00 0.00 177.10 175.19 2uzg h LEU 107 N 8.90 0.00 0.04 3.54 3.38 -1.40 0.61 115.31 130.37 2uzg h LEU 107 Ca -0.29 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.43 2uzg h LEU 107 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2uzg h LEU 107 CO 0.92 0.00 -1.22 0.74 0.09 0.00 0.00 178.44 178.97 2uzg h THR 108 N 0.00 1.47 0.00 0.22 2.02 -1.84 -3.36 112.91 111.42 2uzg h THR 108 Ca 0.00 -3.17 0.00 0.00 0.77 0.00 0.00 66.41 64.01 2uzg h THR 108 Cb 0.53 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2uzg h THR 108 CO 0.00 0.87 -0.71 0.41 0.37 0.00 0.00 175.52 176.46 2uzg n THR 109 N -3.34 0.00 -2.41 3.16 -1.04 -1.16 -5.00 114.28 104.49 2uzg n THR 109 Ca -0.06 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.05 61.50 2uzg n THR 109 Cb 0.98 0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 70.29 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 -1.38 -1.90 -4.46 -4.42 4.77 0.21 -5.00 117.00 104.81 2uzg n LEU 110 Ca 0.01 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2uzg n LEU 110 Cb 0.17 -2.63 -0.13 0.00 -2.33 0.00 0.00 43.42 38.50 2uzg n LEU 110 CO 0.18 -0.15 -0.46 -0.13 -1.33 0.00 0.00 177.39 175.51 2uzg s ARG 111 N -4.97 2.57 0.17 3.23 1.81 -1.18 -4.93 118.95 115.64 2uzg s ARG 111 Ca 0.03 -0.70 -0.06 0.00 -1.72 0.00 0.00 55.73 53.28 2uzg s ARG 111 Cb -0.01 -2.39 -0.06 0.00 -0.45 0.00 0.00 34.95 32.04 2uzg s ARG 111 CO 0.03 0.59 0.42 0.08 -0.68 0.00 0.00 175.30 175.74 2uzg s VAL 112 N -0.63 5.11 0.01 3.52 1.01 -1.22 -1.41 120.40 126.78 2uzg s VAL 112 Ca 0.09 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2uzg s VAL 112 Cb -0.11 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2uzg s VAL 112 CO 0.01 -0.00 -0.11 0.86 0.00 0.00 0.00 175.10 175.86 2uzg s TRP 113 N -1.71 0.96 -0.30 5.22 -0.11 0.15 -1.85 118.94 121.30 2uzg s TRP 113 Ca 0.42 -0.23 -0.01 0.00 1.22 0.00 0.00 56.10 57.50 2uzg s TRP 113 Cb -0.12 -0.60 0.05 0.00 -1.50 0.00 0.00 33.47 31.30 2uzg s TRP 113 CO 0.24 -0.01 -0.01 0.00 -4.62 0.00 0.00 176.95 172.55 2uzg h TYR 115 N 7.98 0.90 0.26 0.00 0.05 -1.14 0.17 116.97 125.19 2uzg h TYR 115 Ca -0.21 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 2uzg h TYR 115 Cb 1.06 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2uzg h TYR 115 CO 0.62 1.01 -0.13 0.00 -1.05 0.00 0.00 178.16 178.61 2uzg h ALA 116 N 0.75 -0.36 -0.01 3.88 0.00 -1.95 -2.69 119.26 118.89 2uzg h ALA 116 Ca 0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 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 -0.50 0.00 0.00 0.00 0.00 179.25 178.13 2uzg n SER 118 N -3.95 -2.27 -3.65 0.00 2.88 0.50 -5.06 113.62 102.07 2uzg n SER 118 Ca -0.02 -0.13 0.01 0.00 -1.33 0.00 0.00 58.87 57.40 2uzg n SER 118 Cb 0.51 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2uzg s LYS 119 N -4.01 0.57 0.02 -1.46 -2.85 -0.70 -5.03 119.74 106.28 2uzg s LYS 119 Ca 0.03 -0.34 -0.20 0.00 -1.00 0.00 0.00 55.97 54.45 2uzg s LYS 119 Cb -0.00 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 2uzg s LYS 119 CO 0.15 -0.27 0.59 -1.83 0.10 0.00 0.00 175.35 174.10 2uzg s GLU 120 N -2.39 4.29 0.43 1.78 -1.05 -1.26 -0.25 118.70 120.25 2uzg s GLU 120 Ca 0.18 0.74 0.03 0.00 -0.15 0.00 0.00 54.97 55.78 2uzg s GLU 120 Cb 0.02 -3.31 -0.02 0.00 -0.44 0.00 0.00 34.13 30.37 2uzg s GLU 120 CO -0.01 0.44 0.10 0.14 0.95 0.00 0.00 175.26 176.88 2uzg s VAL 121 N -0.45 0.77 0.18 1.83 -7.23 -0.77 -4.89 120.40 109.84 2uzg s VAL 121 Ca 0.31 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2uzg s VAL 121 Cb -0.19 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2uzg s VAL 121 CO 0.18 0.00 -0.20 0.72 -0.31 0.00 0.00 175.10 175.49 2uzg s PHE 122 N -3.13 1.97 -0.13 2.82 -0.71 -1.26 -3.44 117.98 114.08 2uzg s PHE 122 Ca 0.21 -0.44 -0.02 0.00 -1.04 0.00 0.00 56.93 55.64 2uzg s PHE 122 Cb 0.03 -0.97 -0.02 0.00 -1.21 0.00 0.00 43.02 40.85 2uzg s PHE 122 CO 0.12 0.40 -0.07 -1.17 -1.34 0.00 0.00 175.22 173.17 2uzg s LEU 123 N -2.76 3.09 -0.21 -1.99 0.20 -1.26 -5.02 118.68 110.73 2uzg s LEU 123 Ca 0.18 -0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 2uzg s LEU 123 Cb -0.06 -1.72 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2uzg s LEU 123 CO 0.08 0.20 -0.09 -1.81 -0.29 0.00 0.00 176.35 174.44 2uzg s ASP 124 N 0.18 3.98 -0.21 3.68 1.11 -1.26 -4.97 116.67 119.18 2uzg s ASP 124 Ca -0.04 -0.53 0.15 0.00 0.18 0.00 0.00 52.55 52.31 2uzg s ASP 124 Cb -0.14 -1.66 -0.23 0.00 1.07 0.00 0.00 42.92 41.96 2uzg s ASP 124 CO 0.03 -0.03 0.02 -1.14 1.18 0.00 0.00 175.17 175.24 2uzg n ARG 125 N 4.73 0.72 -2.28 8.23 3.00 -1.26 -4.70 116.66 125.10 2uzg n ARG 125 Ca -0.19 0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.25 2uzg n ARG 125 Cb 0.50 -1.51 -0.00 0.00 0.00 0.00 0.00 32.46 31.45 2uzg n ARG 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2uzg n LYS 126 N -2.82 3.06 -4.03 -0.14 5.02 -1.26 -4.94 118.16 113.05 2uzg n LYS 126 Ca -0.35 -3.03 -0.22 0.00 -2.02 0.00 0.00 58.31 52.69 2uzg n LYS 126 Cb 1.12 -3.43 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 2uzg n LYS 126 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2uzg s LEU 127 N 3.57 3.71 -0.04 -0.35 1.43 -1.26 -5.03 118.68 120.71 2uzg s LEU 127 Ca 0.52 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2uzg s LEU 127 Cb 0.07 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 44.08 2uzg s LEU 127 CO 0.02 -0.14 0.52 0.61 0.23 0.00 0.00 176.35 177.59 2uzg n GLY 128 N -1.23 -0.15 0.05 -3.19 0.00 -1.26 -4.99 105.19 94.41 2uzg n GLY 128 Ca -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2uzg n GLY 128 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2uzg n THR 129 N -0.20 0.65 -0.18 2.61 -1.04 -1.26 -5.34 114.28 109.52 2uzg n THR 129 Ca -0.07 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 2uzg n THR 129 Cb 0.48 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43