#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 0.00 0.02 0.55 3.02 -1.26 -5.06 115.26 112.54 2uzg n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2uzg n ASN 37 Cb 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2uzg n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uzg n HIS 38 N -1.61 -0.37 -5.18 3.10 1.44 -1.26 -5.09 115.22 106.25 2uzg n HIS 38 Ca 0.00 0.07 -0.32 0.00 -2.01 0.00 0.00 57.72 55.46 2uzg n HIS 38 Cb 0.00 0.39 -0.16 0.00 0.12 0.00 0.00 29.99 30.34 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 6.36 0.39 -0.57 0.00 0.13 -1.98 -1.01 132.00 135.32 2uzg h PRO 40 Ca -0.27 -0.17 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 2uzg h PRO 40 Cb 1.21 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2uzg h PRO 40 CO 0.48 0.70 -0.38 0.45 -0.23 0.00 0.00 178.00 179.02 2uzg h HIS 41 N 0.07 -1.07 0.02 1.56 3.86 -1.98 -0.85 115.15 116.76 2uzg h HIS 41 Ca 0.04 0.08 -0.21 0.00 -1.16 0.00 0.00 60.37 59.11 2uzg h HIS 41 Cb 0.59 0.55 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 2uzg h HIS 41 CO 0.07 -0.40 -0.96 1.37 0.86 0.00 0.00 177.93 178.87 2uzg h LEU 42 N -0.20 0.26 -2.45 2.43 8.10 -1.92 -3.17 115.31 118.35 2uzg h LEU 42 Ca 0.21 -0.23 0.02 0.00 0.11 0.00 0.00 57.88 57.98 2uzg h LEU 42 Cb 0.56 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.70 2uzg h LEU 42 CO -0.67 1.07 0.16 0.44 -4.11 0.00 0.00 178.44 175.33 2uzg h ASP 43 N 0.09 0.00 0.14 0.17 3.45 0.13 -1.90 116.42 118.50 2uzg h ASP 43 Ca -0.06 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.13 2uzg h ASP 43 Cb 1.62 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.40 2uzg h ASP 43 CO 0.15 0.00 -1.34 -1.28 -1.57 0.00 0.00 179.24 175.19 2uzg h SER 44 N 0.00 0.46 -3.59 6.45 0.87 -1.20 -3.46 113.55 113.08 2uzg h SER 44 Ca 0.03 -0.89 -0.52 0.00 -1.23 0.00 0.00 61.79 59.18 2uzg h SER 44 Cb 0.35 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2uzg h SER 44 CO -0.00 1.60 0.51 0.68 -0.53 0.00 0.00 176.83 179.09 2uzg s VAL 45 N -2.49 3.66 0.00 2.23 -7.23 -0.71 -4.96 120.40 110.89 2uzg s VAL 45 Ca -0.18 1.47 0.00 0.00 -1.81 0.00 0.00 61.98 61.46 2uzg s VAL 45 Cb 0.04 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 33.04 2uzg s VAL 45 CO 0.80 0.27 0.00 0.61 -0.31 0.00 0.00 175.10 176.47 2uzg n GLY 46 N 1.90 0.35 3.03 2.32 0.00 -1.26 -4.86 105.19 106.67 2uzg n GLY 46 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.43 0.05 1.61 2.12 -1.26 -4.74 118.70 116.91 2uzg s GLU 47 Ca 0.00 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2uzg s GLU 47 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 2uzg s GLU 47 CO 0.00 -0.08 0.16 -1.50 -0.54 0.00 0.00 175.26 173.30 2uzg s ILE 48 N -2.28 5.08 0.38 -3.70 2.07 -1.26 -4.64 121.20 116.85 2uzg s ILE 48 Ca -0.08 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 2uzg s ILE 48 Cb -0.04 -3.44 -0.03 0.00 0.13 0.00 0.00 42.46 39.07 2uzg s ILE 48 CO -0.04 0.18 0.60 0.42 -1.91 0.00 0.00 174.94 174.20 2uzg s THR 49 N -1.42 5.06 0.47 4.00 -4.23 -1.26 -4.98 115.64 113.27 2uzg s THR 49 Ca 0.31 -0.31 0.17 0.00 -1.18 0.00 0.00 61.69 60.68 2uzg s THR 49 Cb -0.13 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.07 2uzg s THR 49 CO 0.24 -0.63 2.04 0.11 -0.54 0.00 0.00 174.62 175.84 2uzg h LYS 50 N 0.63 0.00 -0.29 3.99 6.56 -1.99 -1.78 116.57 123.68 2uzg h LYS 50 Ca -0.49 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2uzg h LYS 50 Cb 1.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2uzg h LYS 50 CO 0.61 0.14 0.17 1.49 -2.06 0.00 0.00 179.45 179.80 2uzg h GLU 51 N 0.00 0.40 -0.15 3.15 4.81 -1.99 0.40 114.58 121.19 2uzg h GLU 51 Ca -0.00 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 2uzg h GLU 51 Cb 0.25 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2uzg h GLU 51 CO 0.02 0.32 -0.68 -0.44 -0.73 0.00 0.00 179.01 177.49 2uzg h ASP 52 N 0.37 0.72 0.33 1.04 5.19 -1.88 -3.16 116.42 119.02 2uzg h ASP 52 Ca 0.10 -0.44 -0.11 0.00 -0.62 0.00 0.00 57.03 55.96 2uzg h ASP 52 Cb 0.03 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 2uzg h ASP 52 CO -0.02 1.20 -0.47 -0.07 -3.12 0.00 0.00 179.24 176.76 2uzg h LEU 53 N 0.44 0.19 -0.74 1.55 3.38 -1.12 -3.11 115.31 115.89 2uzg h LEU 53 Ca -0.02 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2uzg h LEU 53 Cb 1.27 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 2uzg h LEU 53 CO 0.13 0.63 0.38 -0.29 0.09 0.00 0.00 178.44 179.39 2uzg h ILE 54 N 0.14 0.87 -0.32 1.22 6.09 -0.17 1.06 117.51 126.40 2uzg h ILE 54 Ca 0.01 -0.22 -0.09 0.00 -1.37 0.00 0.00 64.86 63.18 2uzg h ILE 54 Cb 0.89 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.33 2uzg h ILE 54 CO 0.07 0.12 -0.16 1.56 -3.07 0.00 0.00 178.15 176.66 2uzg h GLN 55 N 0.65 0.68 -0.10 2.19 4.20 -1.63 -2.21 115.11 118.90 2uzg h GLN 55 Ca 0.36 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2uzg h GLN 55 Cb 0.36 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2uzg h GLN 55 CO -0.26 0.90 -0.42 0.87 -0.67 0.00 0.00 178.83 179.24 2uzg h LYS 56 N 0.45 0.22 0.00 1.46 1.57 -1.32 -2.51 116.57 116.44 2uzg h LYS 56 Ca 0.07 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2uzg h LYS 56 Cb 0.70 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2uzg h LYS 56 CO 0.05 0.61 0.00 -1.13 -0.57 0.00 0.00 179.45 178.41 2uzg n SER 57 N -4.02 0.39 0.29 0.86 3.41 0.36 -3.24 113.62 111.67 2uzg n SER 57 Ca -0.02 0.56 0.19 0.00 -0.26 0.00 0.00 58.87 59.35 2uzg n SER 57 Cb 0.49 -0.66 0.99 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.60 1.04 3.38 -0.93 -3.46 115.31 114.74 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 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 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 -0.92 0.73 3.02 0.83 0.00 -1.20 -4.70 105.19 102.95 2uzg n GLY 59 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.10 -0.01 0.08 2.61 -4.23 -1.26 -0.58 115.64 110.15 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 -0.07 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 4.88 0.00 0.00 0.00 4.15 -1.68 -3.35 115.11 119.11 2uzg h GLN 62 Ca -0.47 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.84 2uzg h GLN 62 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2uzg h GLN 62 CO 0.67 0.57 -0.70 -0.44 -1.93 0.00 0.00 178.83 177.00 2uzg h ASP 63 N 0.00 0.00 -4.74 -0.69 3.32 -1.94 -3.49 116.42 108.88 2uzg h ASP 63 Ca -0.01 -0.46 -0.40 0.00 0.02 0.00 0.00 57.03 56.19 2uzg h ASP 63 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2uzg h ASP 63 CO 0.07 1.13 -0.23 0.00 -1.72 0.00 0.00 179.24 178.49 2uzg s LYS 65 N -3.35 2.48 0.32 0.00 2.47 -1.26 -3.94 119.74 116.46 2uzg s LYS 65 Ca 0.12 -1.36 0.07 0.00 -1.56 0.00 0.00 55.97 53.24 2uzg s LYS 65 Cb -0.01 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 2uzg s LYS 65 CO 0.08 -0.79 0.26 1.33 0.16 0.00 0.00 175.35 176.39 2uzg n VAL 66 N 4.77 0.00 -4.07 4.02 0.24 -1.26 -4.99 118.33 117.04 2uzg n VAL 66 Ca -0.10 -2.35 -0.21 0.00 -2.04 0.00 0.00 64.34 59.64 2uzg n VAL 66 Cb 0.43 1.15 -0.17 0.00 -1.47 0.00 0.00 33.84 33.79 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 -3.32 0.83 0.78 7.34 -0.21 -1.25 -4.41 119.66 119.42 2uzg s GLN 67 Ca 0.37 -0.07 -0.13 0.00 0.02 0.00 0.00 55.36 55.55 2uzg s GLN 67 Cb 0.02 -0.92 0.20 0.00 1.00 0.00 0.00 33.01 33.31 2uzg s GLN 67 CO 0.26 -0.14 0.53 0.41 -2.12 0.00 0.00 175.29 174.24 2uzg n GLY 68 N 4.33 -3.43 0.00 3.09 0.00 0.26 -4.92 105.19 104.51 2uzg n GLY 68 Ca -0.20 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.88 1.53 -2.40 1.61 -0.02 -1.26 -5.03 135.00 125.55 2uzg n PRO 69 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 2uzg n PRO 69 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 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 -5.56 -4.01 2.55 5.03 -1.26 -5.07 115.26 106.95 2uzg n ASN 70 Ca 0.00 0.10 -0.08 0.00 0.87 0.00 0.00 54.58 55.47 2uzg n ASN 70 Cb 0.00 -3.64 -0.09 0.00 -1.02 0.00 0.00 39.78 35.03 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2uzg s LEU 71 N -2.74 2.13 0.19 3.41 1.43 -1.26 -4.72 118.68 117.13 2uzg s LEU 71 Ca 0.06 -0.83 0.10 0.00 -1.03 0.00 0.00 54.13 52.43 2uzg s LEU 71 Cb -0.02 0.45 -0.04 0.00 0.03 0.00 0.00 46.19 46.61 2uzg s LEU 71 CO 0.46 -0.60 -0.22 0.26 0.23 0.00 0.00 176.35 176.48 2uzg s TRP 72 N -3.60 2.13 -0.00 0.29 0.52 0.40 -0.93 118.94 117.75 2uzg s TRP 72 Ca 0.04 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.78 2uzg s TRP 72 Cb 0.05 -1.04 -0.00 0.00 -1.15 0.00 0.00 33.47 31.32 2uzg s TRP 72 CO -0.09 0.46 -0.05 0.00 0.02 0.00 0.00 176.95 177.29 2uzg s ALA 73 N -1.89 0.41 0.28 0.98 0.00 -0.38 -1.27 121.76 119.90 2uzg s ALA 73 Ca 0.20 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2uzg s ALA 73 Cb -0.07 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.83 2uzg s ALA 73 CO 0.09 0.10 1.56 0.00 0.00 0.00 0.00 175.76 177.51 2uzg h LEU 75 N 4.72 0.00 -9.07 0.00 5.85 -1.66 -3.45 115.31 111.70 2uzg h LEU 75 Ca -0.46 -0.01 -0.65 0.00 0.84 0.00 0.00 57.88 57.60 2uzg h LEU 75 Cb 1.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.27 2uzg h LEU 75 CO 0.79 0.00 1.16 1.21 -0.34 0.00 0.00 178.44 181.27 2uzg n GLU 76 N -2.75 1.74 -0.35 1.25 4.07 -1.26 -4.54 120.64 118.81 2uzg n GLU 76 Ca 0.01 0.60 0.10 0.00 -0.06 0.00 0.00 57.16 57.82 2uzg n GLU 76 Cb 0.54 -2.55 0.30 0.00 -0.06 0.00 0.00 31.44 29.67 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 9.97 0.83 0.95 4.31 -1.24 -1.85 0.37 115.58 128.92 2uzg h ASN 77 Ca -0.43 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2uzg h ASN 77 Cb 1.29 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2uzg h ASN 77 CO 0.97 0.38 0.00 0.54 -1.29 0.00 0.00 177.43 178.03 2uzg n ARG 78 N -4.67 0.05 -4.25 6.67 3.00 -1.26 -4.79 116.66 111.41 2uzg n ARG 78 Ca 0.21 0.10 -0.30 0.00 -0.01 0.00 0.00 57.85 57.85 2uzg n ARG 78 Cb 0.47 -1.56 -0.10 0.00 0.00 0.00 0.00 32.46 31.26 2uzg n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2uzg n SER 80 N 0.71 -0.29 -4.71 0.00 7.64 -1.26 -4.51 113.62 111.19 2uzg n SER 80 Ca -0.14 -3.25 -0.32 0.00 1.01 0.00 0.00 58.87 56.17 2uzg n SER 80 Cb 0.52 0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.92 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 -1.47 3.12 -0.23 1.43 1.51 -1.26 -5.00 117.35 115.45 2uzg s TYR 81 Ca 0.34 0.10 -0.09 0.00 -1.01 0.00 0.00 57.07 56.41 2uzg s TYR 81 Cb 0.33 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 2uzg s TYR 81 CO -0.07 0.49 0.11 0.08 -1.11 0.00 0.00 175.55 175.04 2uzg s VAL 82 N -1.15 4.89 0.07 0.71 1.01 -1.26 -1.92 120.40 122.75 2uzg s VAL 82 Ca 0.21 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2uzg s VAL 82 Cb -0.12 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2uzg s VAL 82 CO 0.12 0.37 -0.05 -0.83 0.00 0.00 0.00 175.10 174.71 2uzg s GLY 83 N 1.07 0.62 -0.07 4.51 0.00 -0.39 -1.55 107.32 111.51 2uzg s GLY 83 Ca 0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 2uzg s GLY 83 CO 0.04 -1.35 0.08 0.00 0.00 0.00 0.00 173.10 171.88 2uzg n GLY 85 N 1.72 -1.80 0.33 0.00 0.00 -1.26 0.62 105.19 104.80 2uzg n GLY 85 Ca -0.17 -1.50 0.23 0.00 0.00 0.00 0.00 46.02 44.58 2uzg n GLY 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2uzg h GLU 86 N 0.00 0.00 0.00 1.61 9.09 -1.91 0.26 114.58 123.63 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2uzg h GLU 86 CO 0.00 0.00 0.00 1.03 0.05 0.00 0.00 179.01 180.09 2uzg h SER 87 N 0.00 0.00 0.00 3.06 0.87 -1.95 -3.39 113.55 112.14 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 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 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 -2.56 0.00 -0.36 2.24 6.02 -0.52 -5.01 117.38 117.20 2uzg n GLN 88 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2uzg n GLN 88 Cb 0.10 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.36 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 -2.01 0.00 -2.72 5.09 0.31 -1.03 -5.00 118.33 112.97 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 0.47 -0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 -4.36 -0.28 4.52 9.92 0.79 -4.82 116.55 122.32 2uzg n ASP 90 Ca 0.00 -0.02 0.10 0.00 -0.53 0.00 0.00 54.79 54.34 2uzg n ASP 90 Cb 0.61 -3.64 0.35 0.00 -0.64 0.00 0.00 41.12 37.79 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 -0.39 0.87 -0.72 1.24 3.86 0.02 0.89 115.15 120.92 2uzg h HIS 91 Ca -0.37 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.89 2uzg h HIS 91 Cb 1.27 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.42 2uzg h HIS 91 CO 0.66 0.35 0.48 1.03 0.86 0.00 0.00 177.93 181.30 2uzg h SER 92 N 0.76 0.77 -0.06 2.45 0.87 -1.62 0.19 113.55 116.91 2uzg h SER 92 Ca 0.44 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 2uzg h SER 92 Cb 0.62 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2uzg h SER 92 CO -0.20 0.54 -0.08 0.74 -0.53 0.00 0.00 176.83 177.29 2uzg h THR 93 N 0.90 1.40 0.11 2.23 2.02 -1.13 -0.81 112.91 117.63 2uzg h THR 93 Ca 0.28 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2uzg h THR 93 Cb 0.02 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2uzg h THR 93 CO -0.08 0.36 -0.09 0.40 0.37 0.00 0.00 175.52 176.49 2uzg h ILE 94 N -0.32 0.81 -0.76 3.11 2.04 -0.92 -1.56 117.51 119.91 2uzg h ILE 94 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2uzg h ILE 94 Cb 0.63 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2uzg h ILE 94 CO 0.02 0.00 0.50 -0.74 0.00 0.00 0.00 178.15 177.93 2uzg h HIS 95 N -0.20 0.87 -0.45 1.37 2.76 -0.70 -0.21 115.15 118.59 2uzg h HIS 95 Ca -0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2uzg h HIS 95 Cb 0.18 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 2uzg h HIS 95 CO -0.10 0.49 0.28 1.03 -1.30 0.00 0.00 177.93 178.33 2uzg h SER 96 N 0.89 0.47 -0.04 3.26 0.87 -0.42 -1.68 113.55 116.90 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 0.12 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2uzg h SER 96 CO -0.10 0.34 -0.06 1.56 -0.53 0.00 0.00 176.83 178.04 2uzg h GLN 97 N 0.57 0.11 -0.55 2.24 7.50 -0.52 0.77 115.11 125.23 2uzg h GLN 97 Ca 0.17 -0.07 0.11 0.00 0.50 0.00 0.00 58.65 59.37 2uzg h GLN 97 Cb -0.02 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.42 2uzg h GLN 97 CO -0.06 0.61 -0.02 0.93 -1.50 0.00 0.00 178.83 178.79 2uzg h GLU 98 N -0.38 0.10 -0.64 1.46 5.08 -0.95 -1.62 114.58 117.62 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 0.00 179.01 178.34 2uzg n THR 99 N -5.27 0.91 -1.76 1.13 -2.24 -0.64 -4.93 114.28 101.48 2uzg n THR 99 Ca 0.07 -0.96 -0.21 0.00 -2.27 0.00 0.00 64.05 60.69 2uzg n THR 99 Cb 0.30 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.52 -1.47 -2.94 -0.78 4.76 0.48 -4.91 118.16 114.82 2uzg n LYS 100 Ca 0.22 1.18 -0.44 0.00 -2.87 0.00 0.00 58.31 56.41 2uzg n LYS 100 Cb 0.60 -5.60 -0.03 0.00 -1.84 0.00 0.00 35.03 28.15 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 -2.82 2.91 -1.92 2.13 3.76 0.24 -4.86 115.29 114.73 2uzg s HIS 101 Ca 0.00 -0.95 0.07 0.00 -0.15 0.00 0.00 55.06 54.04 2uzg s HIS 101 Cb 0.00 -4.23 0.22 0.00 1.11 0.00 0.00 32.58 29.68 2uzg s HIS 101 CO 0.00 -1.52 1.16 0.66 -0.85 0.00 0.00 174.74 174.20 2uzg n TYR 102 N 6.98 0.35 -3.96 1.40 4.01 -1.26 -4.08 117.16 120.60 2uzg n TYR 102 Ca 0.05 -0.17 -0.35 0.00 -0.16 0.00 0.00 57.90 57.27 2uzg n TYR 102 Cb 0.46 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.99 2.93 -0.03 7.72 2.01 -1.26 -1.31 118.68 127.75 2uzg s LEU 103 Ca 0.17 -0.65 0.02 0.00 0.01 0.00 0.00 54.13 53.68 2uzg s LEU 103 Cb 0.09 -1.67 0.00 0.00 0.01 0.00 0.00 46.19 44.62 2uzg s LEU 103 CO 0.11 -0.07 -0.09 0.28 1.01 0.00 0.00 176.35 177.59 2uzg s THR 104 N 1.38 0.75 -0.19 5.49 -1.32 -0.80 -1.76 115.64 119.19 2uzg s THR 104 Ca 0.03 -0.34 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 2uzg s THR 104 Cb -0.15 -0.67 0.03 0.00 -1.51 0.00 0.00 72.50 70.19 2uzg s THR 104 CO -0.05 0.24 -0.18 0.54 -2.21 0.00 0.00 174.62 172.95 2uzg s VAL 105 N 0.21 2.03 -0.08 5.08 0.11 -0.44 0.34 120.40 127.65 2uzg s VAL 105 Ca -0.03 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.71 2uzg s VAL 105 Cb -0.09 -1.88 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 2uzg s VAL 105 CO 0.00 0.46 1.55 0.54 -3.33 0.00 0.00 175.10 174.33 2uzg s ASN 106 N 1.28 6.74 0.00 3.54 2.20 0.11 -1.24 114.94 127.57 2uzg s ASN 106 Ca 0.03 2.10 0.18 0.00 -0.94 0.00 0.00 52.86 54.24 2uzg s ASN 106 Cb -0.14 -2.54 0.86 0.00 -2.00 0.00 0.00 41.25 37.43 2uzg s ASN 106 CO -0.12 -0.88 1.56 0.18 -2.94 0.00 0.00 177.10 174.90 2uzg n LEU 107 N 6.96 0.00 0.12 3.54 4.77 -0.10 0.42 117.00 132.71 2uzg n LEU 107 Ca 0.16 0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 56.28 2uzg n LEU 107 Cb 0.43 -0.37 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2uzg n LEU 107 CO 0.61 -0.15 -0.16 0.74 -1.33 0.00 0.00 177.39 177.10 2uzg h THR 108 N 0.00 1.34 -0.00 -5.08 2.02 -1.90 -3.38 112.91 105.91 2uzg h THR 108 Ca 0.00 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2uzg h THR 108 Cb 0.23 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2uzg h THR 108 CO 0.00 0.78 -0.00 0.35 0.37 0.00 0.00 175.52 177.02 2uzg n THR 109 N -3.82 0.00 -3.61 3.16 -2.24 -1.17 -5.01 114.28 101.59 2uzg n THR 109 Ca -0.16 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.89 2uzg n THR 109 Cb 1.03 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 70.36 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 0.04 -3.42 -4.46 3.22 4.77 0.17 -4.99 117.00 112.32 2uzg n LEU 110 Ca 0.01 -0.60 -0.33 0.00 -0.03 0.00 0.00 56.01 55.06 2uzg n LEU 110 Cb 0.03 -2.98 -0.13 0.00 -2.33 0.00 0.00 43.42 38.00 2uzg n LEU 110 CO 0.01 0.57 -0.45 -0.13 -1.33 0.00 0.00 177.39 176.05 2uzg s ARG 111 N -6.14 2.69 0.20 3.23 0.52 -1.12 -4.92 118.95 113.40 2uzg s ARG 111 Ca 0.45 -0.69 -0.08 0.00 -0.52 0.00 0.00 55.73 54.89 2uzg s ARG 111 Cb -0.20 -2.43 -0.07 0.00 0.52 0.00 0.00 34.95 32.77 2uzg s ARG 111 CO 0.75 0.54 0.49 0.08 0.02 0.00 0.00 175.30 177.17 2uzg s VAL 112 N -0.51 5.02 0.01 3.52 1.01 -1.24 -0.71 120.40 127.50 2uzg s VAL 112 Ca 0.07 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2uzg s VAL 112 Cb -0.12 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2uzg s VAL 112 CO 0.02 -0.04 -0.04 0.86 0.00 0.00 0.00 175.10 175.90 2uzg s TRP 113 N -1.77 0.36 -0.32 5.22 -0.11 0.15 -1.78 118.94 120.69 2uzg s TRP 113 Ca 0.45 -0.22 -0.04 0.00 1.22 0.00 0.00 56.10 57.50 2uzg s TRP 113 Cb -0.11 -0.23 0.04 0.00 -1.50 0.00 0.00 33.47 31.67 2uzg s TRP 113 CO 0.23 -0.05 0.06 0.00 -4.62 0.00 0.00 176.95 172.56 2uzg h TYR 115 N 8.13 0.90 0.24 0.00 0.99 -1.47 0.19 116.97 125.95 2uzg h TYR 115 Ca -0.23 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.23 2uzg h TYR 115 Cb 1.08 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.61 2uzg h TYR 115 CO 0.60 1.00 -0.12 0.00 -0.00 0.00 0.00 178.16 179.65 2uzg h ALA 116 N 0.75 -0.32 -0.01 3.88 0.00 -1.94 -2.90 119.26 118.71 2uzg h ALA 116 Ca 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2uzg h ALA 116 Cb 0.82 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2uzg h ALA 116 CO 0.07 -0.62 -0.50 0.00 0.00 0.00 0.00 179.25 178.20 2uzg n SER 118 N -3.95 -2.41 -3.62 0.00 7.64 0.59 -5.07 113.62 106.80 2uzg n SER 118 Ca -0.02 -0.13 -0.01 0.00 1.01 0.00 0.00 58.87 59.72 2uzg n SER 118 Cb 0.51 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 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 -3.82 0.48 0.08 1.43 0.00 -0.69 -5.02 119.74 112.19 2uzg s LYS 119 Ca 0.04 -0.24 -0.28 0.00 0.00 0.00 0.00 55.97 55.49 2uzg s LYS 119 Cb -0.01 0.18 -0.05 0.00 0.00 0.00 0.00 37.83 37.95 2uzg s LYS 119 CO 0.14 -0.22 0.90 -2.00 0.00 0.00 0.00 175.35 174.17 2uzg s GLU 120 N -2.56 4.62 0.47 1.78 2.12 -1.26 -0.03 118.70 123.84 2uzg s GLU 120 Ca 0.12 1.32 0.02 0.00 0.36 0.00 0.00 54.97 56.79 2uzg s GLU 120 Cb 0.02 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2uzg s GLU 120 CO -0.04 0.22 0.06 1.33 -0.54 0.00 0.00 175.26 176.29 2uzg n VAL 121 N 2.87 0.00 -4.62 3.70 0.24 -0.74 -4.87 118.33 114.92 2uzg n VAL 121 Ca 0.01 -2.39 -0.26 0.00 -2.04 0.00 0.00 64.34 59.65 2uzg n VAL 121 Cb 0.50 0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.93 1.95 0.23 6.34 -0.71 -1.26 -3.60 117.98 117.99 2uzg s PHE 122 Ca 0.08 -0.39 -0.31 0.00 -1.04 0.00 0.00 56.93 55.28 2uzg s PHE 122 Cb 0.00 -1.14 -0.10 0.00 -1.21 0.00 0.00 43.02 40.57 2uzg s PHE 122 CO 0.06 0.14 1.52 -0.51 -1.34 0.00 0.00 175.22 175.08 2uzg s LEU 123 N -1.38 4.37 -0.27 -1.99 1.43 -1.26 -4.95 118.68 114.63 2uzg s LEU 123 Ca 0.09 2.70 -0.28 0.00 -1.03 0.00 0.00 54.13 55.60 2uzg s LEU 123 Cb -0.09 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2uzg s LEU 123 CO 0.03 -0.79 1.02 -1.81 0.23 0.00 0.00 176.35 175.03 2uzg s ASP 124 N 0.68 6.98 0.34 2.29 1.11 -1.26 -4.91 116.67 121.89 2uzg s ASP 124 Ca 0.64 1.17 0.10 0.00 0.18 0.00 0.00 52.55 54.64 2uzg s ASP 124 Cb -0.44 -2.53 0.60 0.00 1.07 0.00 0.00 42.92 41.63 2uzg s ASP 124 CO 0.39 -0.75 1.77 0.03 1.18 0.00 0.00 175.17 177.80 2uzg h ARG 125 N 7.79 0.09 0.00 8.23 -0.00 -1.96 -3.46 114.38 125.06 2uzg h ARG 125 Ca -0.20 -0.04 0.31 0.00 -0.50 0.00 0.00 59.98 59.55 2uzg h ARG 125 Cb 1.06 -0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.96 2uzg h ARG 125 CO 0.99 0.47 -0.41 1.63 0.00 0.00 0.00 179.97 182.66 2uzg n LYS 126 N -4.05 -2.27 -3.82 0.04 5.02 -1.26 -4.85 118.16 106.97 2uzg n LYS 126 Ca -0.02 1.50 -0.29 0.00 -2.02 0.00 0.00 58.31 57.48 2uzg n LYS 126 Cb 0.44 -2.77 -0.04 0.00 -0.02 0.00 0.00 35.03 32.65 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 0.00 4.30 0.00 -0.35 1.43 -1.26 -4.81 118.68 117.99 2uzg s LEU 127 Ca 0.00 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2uzg s LEU 127 Cb 0.00 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.15 2uzg s LEU 127 CO 0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2uzg n GLY 128 N -0.22 0.48 0.07 -3.19 0.00 -1.26 -5.01 105.19 96.06 2uzg n GLY 128 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 1.22 -0.01 2.61 1.35 -1.95 -3.57 112.91 112.56 2uzg h THR 129 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2uzg h THR 129 Cb 0.00 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2uzg h THR 129 CO 0.00 0.19 0.00 1.67 -0.25 0.00 0.00 175.52 177.13