#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 -1.13 -4.60 0.55 4.13 -1.26 -5.14 115.26 107.80 2uzg n ASN 37 Ca 0.00 0.28 -0.25 0.00 1.68 0.00 0.00 54.58 56.30 2uzg n ASN 37 Cb 0.00 1.32 0.12 0.00 -1.54 0.00 0.00 39.78 39.67 2uzg n ASN 37 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2uzg s HIS 38 N -2.00 1.69 -0.16 3.10 2.46 -1.26 -5.08 115.29 114.03 2uzg s HIS 38 Ca 0.00 -0.13 -0.10 0.00 0.47 0.00 0.00 55.06 55.29 2uzg s HIS 38 Cb 0.00 -3.19 -0.05 0.00 -0.13 0.00 0.00 32.58 29.21 2uzg s HIS 38 CO 0.00 -1.83 0.18 0.00 -2.47 0.00 0.00 174.74 170.61 2uzg h PRO 40 N 6.18 0.47 -0.56 0.00 0.13 -1.98 -1.55 132.00 134.69 2uzg h PRO 40 Ca -0.45 -0.20 0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2uzg h PRO 40 Cb 1.18 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2uzg h PRO 40 CO 0.71 0.73 -0.37 0.45 -0.23 0.00 0.00 178.00 179.29 2uzg h HIS 41 N 0.19 -1.04 -0.14 1.56 3.86 -1.98 0.94 115.15 118.53 2uzg h HIS 41 Ca 0.05 0.07 -0.22 0.00 -1.16 0.00 0.00 60.37 59.12 2uzg h HIS 41 Cb 0.58 0.54 0.01 0.00 1.06 0.00 0.00 27.41 29.59 2uzg h HIS 41 CO 0.06 -0.40 -0.77 1.37 0.86 0.00 0.00 177.93 179.05 2uzg h LEU 42 N -0.20 0.87 -2.43 2.43 8.10 -1.92 -3.07 115.31 119.10 2uzg h LEU 42 Ca 0.21 -0.57 0.02 0.00 0.11 0.00 0.00 57.88 57.64 2uzg h LEU 42 Cb 0.56 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2uzg h LEU 42 CO -0.67 1.36 0.17 0.44 -4.11 0.00 0.00 178.44 175.64 2uzg h ASP 43 N 0.50 0.00 0.17 0.17 3.32 -0.17 -1.66 116.42 118.75 2uzg h ASP 43 Ca -0.05 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.76 2uzg h ASP 43 Cb 1.39 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.97 2uzg h ASP 43 CO 0.16 0.00 -1.09 -1.28 -1.72 0.00 0.00 179.24 175.30 2uzg h SER 44 N 0.00 0.57 -4.24 6.45 0.87 -0.76 -3.46 113.55 112.97 2uzg h SER 44 Ca 0.03 -0.93 -0.52 0.00 -1.23 0.00 0.00 61.79 59.13 2uzg h SER 44 Cb 0.37 -0.19 0.14 0.00 -0.44 0.00 0.00 62.40 62.28 2uzg h SER 44 CO -0.00 1.52 0.34 0.68 -0.53 0.00 0.00 176.83 178.83 2uzg s VAL 45 N -2.48 2.84 0.00 2.23 -7.23 -0.62 -4.98 120.40 110.15 2uzg s VAL 45 Ca -0.13 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 2uzg s VAL 45 Cb 0.02 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2uzg s VAL 45 CO 0.86 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2uzg n GLY 46 N -0.37 0.76 3.08 2.32 0.00 -1.26 -4.91 105.19 104.81 2uzg n GLY 46 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 1.21 0.57 0.01 1.61 2.12 -1.26 -4.84 118.70 118.12 2uzg s GLU 47 Ca 0.00 -1.07 0.03 0.00 0.36 0.00 0.00 54.97 54.28 2uzg s GLU 47 Cb 0.00 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.56 2uzg s GLU 47 CO 0.00 -0.11 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.06 2uzg s ILE 48 N -3.42 3.76 0.35 -3.70 2.07 -1.26 -4.82 121.20 114.17 2uzg s ILE 48 Ca 0.02 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.51 2uzg s ILE 48 Cb 0.04 -2.65 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 2uzg s ILE 48 CO -0.08 0.38 0.55 0.42 -1.91 0.00 0.00 174.94 174.30 2uzg s THR 49 N -1.03 5.10 0.45 4.00 -4.23 -1.26 -4.99 115.64 113.68 2uzg s THR 49 Ca 0.18 -0.44 0.16 0.00 -1.18 0.00 0.00 61.69 60.40 2uzg s THR 49 Cb -0.11 -3.86 0.20 0.00 1.34 0.00 0.00 72.50 70.06 2uzg s THR 49 CO 0.08 -0.56 2.01 0.11 -0.54 0.00 0.00 174.62 175.72 2uzg h LYS 50 N 0.76 0.00 -0.36 3.99 1.57 -2.00 -2.01 116.57 118.51 2uzg h LYS 50 Ca -0.50 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 2uzg h LYS 50 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 2uzg h LYS 50 CO 0.61 0.17 0.20 1.49 -0.57 0.00 0.00 179.45 181.36 2uzg h GLU 51 N 0.00 0.40 -0.11 3.15 4.22 -2.00 0.11 114.58 120.35 2uzg h GLU 51 Ca -0.00 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.30 2uzg h GLU 51 Cb 0.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2uzg h GLU 51 CO 0.02 0.27 -0.37 -0.44 -2.18 0.00 0.00 179.01 176.31 2uzg h ASP 52 N 0.42 0.52 -0.22 1.04 5.19 -1.89 -3.18 116.42 118.30 2uzg h ASP 52 Ca 0.14 -0.61 0.02 0.00 -0.62 0.00 0.00 57.03 55.96 2uzg h ASP 52 Cb 0.02 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2uzg h ASP 52 CO -0.07 1.04 0.15 -0.07 -3.12 0.00 0.00 179.24 177.16 2uzg h LEU 53 N 0.03 0.20 -0.63 1.55 3.38 -1.20 -2.22 115.31 116.42 2uzg h LEU 53 Ca -0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2uzg h LEU 53 Cb 0.99 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2uzg h LEU 53 CO 0.08 0.14 0.36 -0.29 0.09 0.00 0.00 178.44 178.82 2uzg h ILE 54 N 0.24 1.01 -0.40 1.22 6.09 -0.76 0.99 117.51 125.91 2uzg h ILE 54 Ca 0.09 -0.24 -0.13 0.00 -1.37 0.00 0.00 64.86 63.21 2uzg h ILE 54 Cb 0.06 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.60 2uzg h ILE 54 CO -0.02 0.13 -0.28 -0.61 -3.07 0.00 0.00 178.15 174.30 2uzg h GLN 55 N 0.69 0.89 -0.11 2.19 -0.00 -1.50 -2.79 115.11 114.48 2uzg h GLN 55 Ca 0.27 -0.43 -0.11 0.00 -0.00 0.00 0.00 58.65 58.38 2uzg h GLN 55 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 2uzg h GLN 55 CO -0.14 1.08 -0.42 0.87 0.00 0.00 0.00 178.83 180.22 2uzg h LYS 56 N 0.71 0.24 0.00 1.69 1.57 -1.08 -2.39 116.57 117.31 2uzg h LYS 56 Ca 0.08 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2uzg h LYS 56 Cb 0.86 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2uzg h LYS 56 CO 0.08 0.62 0.00 -1.13 -0.57 0.00 0.00 179.45 178.45 2uzg n SER 57 N -4.02 0.36 0.30 0.86 3.41 0.34 -2.77 113.62 112.10 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 -1.20 1.04 3.38 -1.17 -3.46 115.31 113.90 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 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 -1.12 -4.82 105.19 102.72 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 -2.19 -0.01 0.08 2.61 -4.23 -1.25 -1.45 115.64 109.20 2uzg s THR 60 Ca 0.00 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.32 2uzg s THR 60 Cb 0.00 -0.23 -0.07 0.00 1.34 0.00 0.00 72.50 73.55 2uzg s THR 60 CO 0.00 0.01 0.65 0.00 -0.54 0.00 0.00 174.62 174.75 2uzg h GLN 62 N 4.87 0.00 0.02 0.00 4.15 -1.56 -3.35 115.11 119.25 2uzg h GLN 62 Ca -0.47 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 2uzg h GLN 62 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2uzg h GLN 62 CO 0.66 0.86 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.97 2uzg h ASP 63 N 0.00 -0.03 -3.76 -0.69 5.19 -1.93 -3.49 116.42 111.71 2uzg h ASP 63 Ca -0.01 -0.64 -0.28 0.00 -0.62 0.00 0.00 57.03 55.48 2uzg h ASP 63 Cb 1.52 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 40.98 2uzg h ASP 63 CO 0.11 0.76 -0.22 0.00 -3.12 0.00 0.00 179.24 176.78 2uzg s LYS 65 N -2.78 3.26 -0.21 0.00 2.20 -1.26 -3.89 119.74 117.05 2uzg s LYS 65 Ca 0.05 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.81 2uzg s LYS 65 Cb 0.00 -3.89 0.09 0.00 -1.51 0.00 0.00 37.83 32.52 2uzg s LYS 65 CO 0.03 -0.63 0.47 0.08 -0.36 0.00 0.00 175.35 174.95 2uzg s VAL 66 N 1.81 -0.48 -0.54 4.02 1.01 -1.26 -4.96 120.40 120.00 2uzg s VAL 66 Ca 0.07 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2uzg s VAL 66 Cb -0.18 -0.73 0.08 0.00 0.00 0.00 0.00 36.38 35.56 2uzg s VAL 66 CO 0.11 0.05 0.62 -1.10 0.00 0.00 0.00 175.10 174.78 2uzg s GLN 67 N 2.25 3.06 0.32 2.72 -0.21 -1.25 -3.23 119.66 123.32 2uzg s GLN 67 Ca -0.05 -1.18 0.00 0.00 0.02 0.00 0.00 55.36 54.15 2uzg s GLN 67 Cb -0.10 -4.19 0.00 0.00 1.00 0.00 0.00 33.01 29.72 2uzg s GLN 67 CO -0.14 -1.34 0.00 0.41 -2.12 0.00 0.00 175.29 172.10 2uzg n GLY 68 N 5.23 -0.71 0.00 3.09 0.00 -0.53 -5.01 105.19 107.26 2uzg n GLY 68 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.82 0.00 -1.99 1.61 -0.04 -1.26 -4.98 135.00 126.52 2uzg n PRO 69 Ca 0.00 0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 2uzg n PRO 69 Cb 0.22 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 2uzg n PRO 69 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2uzg s ASN 70 N -3.48 5.68 -0.03 3.54 2.20 -1.26 -4.72 114.94 116.87 2uzg s ASN 70 Ca 0.00 1.05 0.04 0.00 -0.94 0.00 0.00 52.86 53.01 2uzg s ASN 70 Cb 0.00 -2.53 -0.03 0.00 -2.00 0.00 0.00 41.25 36.70 2uzg s ASN 70 CO 0.00 -1.93 -0.14 -0.76 -2.94 0.00 0.00 177.10 171.34 2uzg s LEU 71 N 7.66 2.77 0.02 3.54 1.43 -1.26 -4.47 118.68 128.37 2uzg s LEU 71 Ca 0.77 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2uzg s LEU 71 Cb -0.20 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2uzg s LEU 71 CO 0.30 0.32 -0.03 0.26 0.23 0.00 0.00 176.35 177.44 2uzg s TRP 72 N -0.80 2.99 -0.02 0.29 0.52 -0.15 -1.30 118.94 120.47 2uzg s TRP 72 Ca 0.13 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.29 2uzg s TRP 72 Cb -0.11 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 2uzg s TRP 72 CO 0.02 0.43 -0.10 0.00 0.02 0.00 0.00 176.95 177.33 2uzg s ALA 73 N -1.09 0.89 0.20 0.98 0.00 -0.54 -0.55 121.76 121.65 2uzg s ALA 73 Ca 0.20 -0.37 -0.33 0.00 0.00 0.00 0.00 51.96 51.46 2uzg s ALA 73 Cb -0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 23.12 22.56 2uzg s ALA 73 CO 0.10 0.16 1.53 0.00 0.00 0.00 0.00 175.76 177.55 2uzg n LEU 75 N 2.92 0.68 -4.67 0.00 7.94 -0.67 -4.74 117.00 118.46 2uzg n LEU 75 Ca 0.14 0.36 -0.45 0.00 -1.11 0.00 0.00 56.01 54.96 2uzg n LEU 75 Cb 0.31 -0.26 -0.03 0.00 0.53 0.00 0.00 43.42 43.97 2uzg n LEU 75 CO 0.63 -0.09 1.01 1.21 -1.11 0.00 0.00 177.39 179.05 2uzg n GLU 76 N -2.08 2.04 -0.16 1.96 4.07 -1.26 -4.33 120.64 120.88 2uzg n GLU 76 Ca 0.05 0.73 -0.07 0.00 -0.06 0.00 0.00 57.16 57.80 2uzg n GLU 76 Cb 0.42 -2.38 0.09 0.00 -0.06 0.00 0.00 31.44 29.51 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 4.17 0.91 1.66 4.31 -1.24 -1.88 -2.76 115.58 120.75 2uzg h ASN 77 Ca -0.45 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.31 2uzg h ASN 77 Cb 1.28 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.08 2uzg h ASN 77 CO 0.75 0.98 -0.28 -0.09 -1.29 0.00 0.00 177.43 177.50 2uzg h ARG 78 N 0.86 0.00 -5.12 6.67 9.65 -1.96 -3.44 114.38 121.03 2uzg h ARG 78 Ca 0.16 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.40 2uzg h ARG 78 Cb 0.53 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 28.91 2uzg h ARG 78 CO 0.03 0.00 -0.61 0.00 2.80 0.00 0.00 179.97 182.18 2uzg n SER 80 N 4.21 4.34 -4.86 0.00 7.64 -1.26 -4.14 113.62 119.54 2uzg n SER 80 Ca -0.17 -3.51 -0.33 0.00 1.01 0.00 0.00 58.87 55.87 2uzg n SER 80 Cb 0.52 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.58 3.49 -0.15 1.43 1.51 -1.26 -4.95 117.35 113.84 2uzg s TYR 81 Ca 0.46 0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 57.49 2uzg s TYR 81 Cb 0.40 -2.32 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2uzg s TYR 81 CO -0.03 0.31 -0.12 0.08 -1.11 0.00 0.00 175.55 174.68 2uzg s VAL 82 N -1.70 3.01 0.19 0.71 1.01 -1.26 -1.37 120.40 120.99 2uzg s VAL 82 Ca 0.44 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2uzg s VAL 82 Cb -0.13 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2uzg s VAL 82 CO 0.20 0.51 0.02 -0.83 0.00 0.00 0.00 175.10 175.00 2uzg s GLY 83 N 0.60 1.31 -0.02 4.51 0.00 0.29 -1.27 107.32 112.73 2uzg s GLY 83 Ca -0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 42.99 2uzg s GLY 83 CO 0.03 -1.53 0.10 0.00 0.00 0.00 0.00 173.10 171.70 2uzg n GLY 85 N 1.28 -2.02 0.11 0.00 0.00 -1.26 0.58 105.19 103.88 2uzg n GLY 85 Ca -0.14 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.52 2uzg n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2uzg n GLU 86 N -0.47 0.12 0.25 1.61 1.02 -1.26 0.23 120.64 122.13 2uzg n GLU 86 Ca 0.00 0.51 0.17 0.00 -0.02 0.00 0.00 57.16 57.82 2uzg n GLU 86 Cb 0.00 -1.81 0.86 0.00 -0.02 0.00 0.00 31.44 30.47 2uzg n GLU 86 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2uzg h SER 87 N 0.00 0.00 0.00 1.62 0.87 -1.94 -3.40 113.55 110.70 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 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 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 -2.70 0.00 -0.19 2.24 1.13 -0.93 -5.00 117.38 111.94 2uzg n GLN 88 Ca -0.01 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2uzg n GLN 88 Cb 0.10 0.00 0.01 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 -1.48 0.30 -3.59 5.09 0.31 -1.17 -5.00 118.33 112.79 2uzg n VAL 89 Ca 0.00 -0.33 -0.27 0.00 -0.01 0.00 0.00 64.34 63.73 2uzg n VAL 89 Cb 0.00 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.20 -4.14 -0.24 4.52 2.03 0.14 -4.81 116.55 113.84 2uzg n ASP 90 Ca 0.02 -0.56 0.12 0.00 0.52 0.00 0.00 54.79 54.89 2uzg n ASP 90 Cb 0.56 -3.38 0.40 0.00 -0.72 0.00 0.00 41.12 37.98 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 -1.35 0.75 -0.72 -0.67 3.86 -0.01 0.87 115.15 117.88 2uzg h HIS 91 Ca -0.50 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2uzg h HIS 91 Cb 1.33 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 2uzg h HIS 91 CO 0.63 0.29 0.44 1.03 0.86 0.00 0.00 177.93 181.17 2uzg h SER 92 N 0.65 0.86 0.12 2.45 0.87 -1.64 0.18 113.55 117.04 2uzg h SER 92 Ca 0.42 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 2uzg h SER 92 Cb 0.71 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2uzg h SER 92 CO -0.18 0.66 -0.06 0.74 -0.53 0.00 0.00 176.83 177.46 2uzg h THR 93 N 1.00 1.06 -0.16 2.23 2.02 -1.13 -1.03 112.91 116.90 2uzg h THR 93 Ca 0.26 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.39 2uzg h THR 93 Cb -0.04 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2uzg h THR 93 CO -0.05 0.25 -0.02 0.40 0.37 0.00 0.00 175.52 176.46 2uzg h ILE 94 N -0.70 0.86 -0.97 3.11 2.04 -1.17 -1.48 117.51 119.20 2uzg h ILE 94 Ca -0.02 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2uzg h ILE 94 Cb 0.53 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 2uzg h ILE 94 CO 0.03 0.00 0.63 -0.74 0.00 0.00 0.00 178.15 178.07 2uzg h HIS 95 N 0.02 1.17 -0.60 1.37 2.76 -0.72 0.04 115.15 119.20 2uzg h HIS 95 Ca 0.07 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2uzg h HIS 95 Cb 0.10 -0.39 -0.04 0.00 1.55 0.00 0.00 27.41 28.64 2uzg h HIS 95 CO -0.17 0.65 0.35 1.03 -1.30 0.00 0.00 177.93 178.49 2uzg h SER 96 N 1.18 0.56 -0.04 3.26 0.87 -0.23 -1.59 113.55 117.58 2uzg h SER 96 Ca 0.40 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2uzg h SER 96 Cb 0.07 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2uzg h SER 96 CO -0.13 0.39 -0.05 1.56 -0.53 0.00 0.00 176.83 178.06 2uzg h GLN 97 N 0.69 0.10 -0.55 2.24 7.50 -0.52 0.82 115.11 125.39 2uzg h GLN 97 Ca 0.25 -0.06 0.11 0.00 0.50 0.00 0.00 58.65 59.45 2uzg h GLN 97 Cb 0.06 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.50 2uzg h GLN 97 CO -0.12 0.61 -0.02 0.93 -1.50 0.00 0.00 178.83 178.73 2uzg h GLU 98 N -0.40 0.10 -0.59 1.46 4.39 -0.84 -1.72 114.58 116.98 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 0.60 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -1.16 0.00 0.00 179.01 178.18 2uzg n THR 99 N -5.27 1.27 -1.72 1.13 -2.24 -0.61 -4.94 114.28 101.90 2uzg n THR 99 Ca 0.07 -1.09 -0.19 0.00 -2.27 0.00 0.00 64.05 60.57 2uzg n THR 99 Cb 0.31 0.37 -0.07 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 1.12 -1.49 -2.87 -0.78 4.76 0.96 -4.90 118.16 114.96 2uzg n LYS 100 Ca 0.21 1.07 -0.43 0.00 -2.87 0.00 0.00 58.31 56.29 2uzg n LYS 100 Cb 0.65 -5.47 -0.03 0.00 -1.84 0.00 0.00 35.03 28.33 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 -2.66 2.82 -0.49 2.13 3.76 0.25 -4.86 115.29 116.23 2uzg s HIS 101 Ca 0.00 -0.85 0.06 0.00 -0.15 0.00 0.00 55.06 54.12 2uzg s HIS 101 Cb 0.00 -4.30 0.42 0.00 1.11 0.00 0.00 32.58 29.81 2uzg s HIS 101 CO 0.00 -1.60 1.27 0.66 -0.85 0.00 0.00 174.74 174.22 2uzg n TYR 102 N 7.35 1.28 -4.04 1.40 4.02 -1.26 -4.05 117.16 121.87 2uzg n TYR 102 Ca 0.07 -0.62 -0.31 0.00 -0.01 0.00 0.00 57.90 57.02 2uzg n TYR 102 Cb 0.47 -0.41 -0.16 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.58 2.18 -0.02 7.72 2.01 -1.26 -1.40 118.68 126.33 2uzg s LEU 103 Ca 0.30 -0.76 0.00 0.00 0.01 0.00 0.00 54.13 53.68 2uzg s LEU 103 Cb 0.24 -1.30 0.02 0.00 0.01 0.00 0.00 46.19 45.16 2uzg s LEU 103 CO 0.08 -0.09 0.01 0.28 1.01 0.00 0.00 176.35 177.64 2uzg s THR 104 N 1.37 0.06 -0.16 5.49 -1.32 -0.82 -1.67 115.64 118.59 2uzg s THR 104 Ca 0.01 0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.62 2uzg s THR 104 Cb -0.15 -0.14 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 2uzg s THR 104 CO -0.10 0.09 -0.21 0.54 -2.21 0.00 0.00 174.62 172.74 2uzg s VAL 105 N 0.78 2.04 -0.07 5.08 0.11 -0.55 0.35 120.40 128.15 2uzg s VAL 105 Ca -0.07 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 57.73 2uzg s VAL 105 Cb -0.10 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 2uzg s VAL 105 CO -0.02 0.54 1.07 0.54 -3.33 0.00 0.00 175.10 173.90 2uzg s ASN 106 N 1.06 7.20 0.20 3.54 2.20 -0.20 -1.47 114.94 127.46 2uzg s ASN 106 Ca -0.01 1.65 -0.00 0.00 -0.94 0.00 0.00 52.86 53.56 2uzg s ASN 106 Cb -0.14 -2.56 0.12 0.00 -2.00 0.00 0.00 41.25 36.67 2uzg s ASN 106 CO -0.07 -0.46 1.48 -0.07 -2.94 0.00 0.00 177.10 175.04 2uzg h LEU 107 N 7.80 0.45 -1.15 3.54 3.38 -1.52 0.56 115.31 128.38 2uzg h LEU 107 Ca -0.34 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 2uzg h LEU 107 Cb 1.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2uzg h LEU 107 CO 0.84 0.99 -0.39 0.74 0.09 0.00 0.00 178.44 180.71 2uzg h THR 108 N 0.28 1.29 0.00 0.22 2.02 -1.85 -3.18 112.91 111.69 2uzg h THR 108 Ca -0.02 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2uzg h THR 108 Cb 1.21 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2uzg h THR 108 CO 0.11 0.40 -1.23 0.41 0.37 0.00 0.00 175.52 175.58 2uzg n THR 109 N -4.07 0.00 -2.21 3.16 -1.04 -1.20 -4.99 114.28 103.93 2uzg n THR 109 Ca -0.02 -0.26 -0.18 0.00 -2.04 0.00 0.00 64.05 61.55 2uzg n THR 109 Cb 0.43 0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 69.44 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 -1.71 -1.76 -4.55 -4.42 4.77 0.19 -4.99 117.00 104.54 2uzg n LEU 110 Ca -0.00 0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 2uzg n LEU 110 Cb 0.31 -2.65 -0.10 0.00 -2.33 0.00 0.00 43.42 38.64 2uzg n LEU 110 CO 0.29 -0.33 -0.44 -0.13 -1.33 0.00 0.00 177.39 175.45 2uzg s ARG 111 N -4.68 1.99 0.01 3.23 0.52 -1.13 -4.94 118.95 113.94 2uzg s ARG 111 Ca 0.00 -1.12 -0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2uzg s ARG 111 Cb 0.00 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 2uzg s ARG 111 CO 0.00 0.49 0.09 0.08 0.02 0.00 0.00 175.30 175.97 2uzg s VAL 112 N -1.27 4.74 0.01 3.52 1.01 -1.24 -1.04 120.40 126.14 2uzg s VAL 112 Ca 0.21 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2uzg s VAL 112 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2uzg s VAL 112 CO 0.13 0.32 -0.17 0.86 0.00 0.00 0.00 175.10 176.24 2uzg s TRP 113 N -1.23 1.49 -0.26 5.22 -0.11 0.16 -1.92 118.94 122.29 2uzg s TRP 113 Ca 0.24 -0.32 0.01 0.00 1.22 0.00 0.00 56.10 57.25 2uzg s TRP 113 Cb -0.12 -0.92 0.05 0.00 -1.50 0.00 0.00 33.47 30.98 2uzg s TRP 113 CO 0.15 0.02 -0.08 0.00 -4.62 0.00 0.00 176.95 172.42 2uzg h TYR 115 N 7.87 0.91 0.17 0.00 0.05 -1.50 0.14 116.97 124.60 2uzg h TYR 115 Ca -0.23 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2uzg h TYR 115 Cb 1.06 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 2uzg h TYR 115 CO 0.61 1.01 -0.15 0.00 -1.05 0.00 0.00 178.16 178.59 2uzg h ALA 116 N 0.75 -0.30 -0.00 3.88 0.00 -1.95 -2.25 119.26 119.39 2uzg h ALA 116 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2uzg h ALA 116 Cb 0.83 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 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 -2.23 -3.79 0.00 7.64 0.41 -5.04 113.62 106.65 2uzg n SER 118 Ca -0.02 -0.17 0.02 0.00 1.01 0.00 0.00 58.87 59.72 2uzg n SER 118 Cb 0.51 -1.74 0.01 0.00 -1.01 0.00 0.00 64.21 61.98 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 -4.19 0.38 0.37 1.43 -2.85 -0.74 -5.03 119.74 109.12 2uzg s LYS 119 Ca 0.02 -0.24 -0.23 0.00 -1.00 0.00 0.00 55.97 54.52 2uzg s LYS 119 Cb -0.00 0.11 -0.10 0.00 -2.06 0.00 0.00 37.83 35.77 2uzg s LYS 119 CO 0.20 -0.18 0.93 -2.00 0.10 0.00 0.00 175.35 174.40 2uzg s GLU 120 N -2.07 4.36 0.18 1.78 2.12 -1.26 -1.15 118.70 122.66 2uzg s GLU 120 Ca 0.27 1.18 -0.08 0.00 0.36 0.00 0.00 54.97 56.70 2uzg s GLU 120 Cb 0.00 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2uzg s GLU 120 CO -0.01 0.12 0.29 0.14 -0.54 0.00 0.00 175.26 175.26 2uzg s VAL 121 N -1.92 0.05 0.04 3.70 -7.23 -0.81 -4.85 120.40 109.38 2uzg s VAL 121 Ca 0.56 -1.49 0.08 0.00 -1.81 0.00 0.00 61.98 59.32 2uzg s VAL 121 Cb -0.13 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2uzg s VAL 121 CO 0.18 -0.22 -0.22 0.72 -0.31 0.00 0.00 175.10 175.25 2uzg s PHE 122 N -4.00 1.92 0.19 2.82 -0.71 -1.26 -3.63 117.98 113.30 2uzg s PHE 122 Ca 0.21 -0.38 0.09 0.00 -1.04 0.00 0.00 56.93 55.81 2uzg s PHE 122 Cb 0.03 -1.15 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 2uzg s PHE 122 CO 0.03 0.09 -0.08 -0.48 -1.34 0.00 0.00 175.22 173.44 2uzg s LEU 123 N -1.16 3.02 0.82 -1.99 0.05 -1.26 -5.00 118.68 113.16 2uzg s LEU 123 Ca 0.08 -0.57 -0.11 0.00 0.05 0.00 0.00 54.13 53.58 2uzg s LEU 123 Cb -0.09 -1.68 0.08 0.00 -2.05 0.00 0.00 46.19 42.45 2uzg s LEU 123 CO 0.02 0.09 1.10 -0.62 -0.55 0.00 0.00 176.35 176.39 2uzg s ASP 124 N -2.92 4.09 -0.12 1.48 2.15 -1.26 -4.99 116.67 115.10 2uzg s ASP 124 Ca 0.26 1.79 0.12 0.00 0.43 0.00 0.00 52.55 55.14 2uzg s ASP 124 Cb -0.09 -2.45 -0.16 0.00 -0.30 0.00 0.00 42.92 39.92 2uzg s ASP 124 CO 0.16 -2.29 0.06 -1.14 -0.17 0.00 0.00 175.17 171.78 2uzg n ARG 125 N -3.69 1.82 -3.89 4.34 0.63 -1.26 -5.00 116.66 109.62 2uzg n ARG 125 Ca 0.09 -0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.90 2uzg n ARG 125 Cb 0.53 -1.33 -0.11 0.00 0.45 0.00 0.00 32.46 32.00 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 -2.34 0.29 -1.09 -0.14 2.36 -1.26 -5.09 119.74 112.46 2uzg s LYS 126 Ca -0.06 -0.24 -0.07 0.00 -2.55 0.00 0.00 55.97 53.05 2uzg s LYS 126 Cb 0.04 0.12 0.28 0.00 -1.05 0.00 0.00 37.83 37.22 2uzg s LYS 126 CO 0.53 -0.06 1.19 1.28 1.55 0.00 0.00 175.35 179.84 2uzg n LEU 127 N 2.12 5.67 -0.86 5.43 4.32 -1.26 -4.77 117.00 127.65 2uzg n LEU 127 Ca -0.19 -5.10 0.01 0.00 -0.02 0.00 0.00 56.01 50.72 2uzg n LEU 127 Cb 0.57 -1.40 0.19 0.00 -1.62 0.00 0.00 43.42 41.17 2uzg n LEU 127 CO 0.21 1.46 0.45 0.61 -1.22 0.00 0.00 177.39 178.90 2uzg n GLY 128 N 2.28 5.17 0.21 -0.72 0.00 -1.26 -4.76 105.19 106.11 2uzg n GLY 128 Ca 0.24 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.10 0.00 0.46 2.61 -2.24 -1.26 -5.30 114.28 107.45 2uzg n THR 129 Ca 0.25 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.06 2uzg n THR 129 Cb 0.80 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 69.25 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17