#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 4.83 -1.02 0.55 5.15 -1.26 -4.94 115.26 118.56 2uzg n ASN 37 Ca 0.00 -2.99 0.02 0.00 -0.60 0.00 0.00 54.58 51.01 2uzg n ASN 37 Cb 0.00 -1.58 -0.01 0.00 -0.53 0.00 0.00 39.78 37.66 2uzg n ASN 37 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2uzg n HIS 38 N 5.48 -2.15 -3.60 1.20 -0.00 -1.26 -4.72 115.22 110.17 2uzg n HIS 38 Ca 0.43 0.19 -0.37 0.00 0.46 0.00 0.00 57.72 58.43 2uzg n HIS 38 Cb 0.40 -0.08 -0.07 0.00 -0.12 0.00 0.00 29.99 30.12 2uzg n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2uzg h PRO 40 N 6.16 0.67 -0.43 0.00 0.13 -1.97 -1.28 132.00 135.28 2uzg h PRO 40 Ca -0.45 -0.34 0.08 0.00 -0.87 0.00 0.00 66.00 64.43 2uzg h PRO 40 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 2uzg h PRO 40 CO 0.71 0.94 -0.36 0.45 -0.23 0.00 0.00 178.00 179.51 2uzg h HIS 41 N 0.41 -1.02 -0.02 1.56 3.86 -1.98 -0.45 115.15 117.51 2uzg h HIS 41 Ca 0.05 0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 59.11 2uzg h HIS 41 Cb 0.79 0.51 0.00 0.00 1.06 0.00 0.00 27.41 29.77 2uzg h HIS 41 CO 0.07 -0.40 -0.90 1.37 0.86 0.00 0.00 177.93 178.93 2uzg h LEU 42 N -0.26 0.56 -2.36 2.43 8.10 -1.93 -3.12 115.31 118.73 2uzg h LEU 42 Ca 0.17 -0.43 0.02 0.00 0.11 0.00 0.00 57.88 57.75 2uzg h LEU 42 Cb 0.56 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 40.60 2uzg h LEU 42 CO -0.57 1.22 0.20 -0.78 -4.11 0.00 0.00 178.44 174.40 2uzg h ASP 43 N 0.26 0.00 0.13 0.17 1.82 -0.26 -1.80 116.42 116.74 2uzg h ASP 43 Ca -0.07 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.28 2uzg h ASP 43 Cb 1.53 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.53 2uzg h ASP 43 CO 0.16 0.00 -1.47 0.28 -1.61 0.00 0.00 179.24 176.60 2uzg h SER 44 N 0.00 0.42 -4.21 2.28 0.02 -1.06 -3.40 113.55 107.60 2uzg h SER 44 Ca 0.03 -0.87 -0.51 0.00 -0.84 0.00 0.00 61.79 59.61 2uzg h SER 44 Cb 0.43 -0.14 0.10 0.00 0.14 0.00 0.00 62.40 62.94 2uzg h SER 44 CO -0.00 1.65 0.37 0.68 -1.14 0.00 0.00 176.83 178.39 2uzg s VAL 45 N -2.49 3.27 0.00 2.27 -7.23 -0.68 -4.74 120.40 110.80 2uzg s VAL 45 Ca -0.19 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2uzg s VAL 45 Cb 0.05 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2uzg s VAL 45 CO 0.78 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 2uzg n GLY 46 N -0.59 0.77 3.03 2.32 0.00 -1.26 -4.80 105.19 104.66 2uzg n GLY 46 Ca 0.10 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 1.87 0.43 0.08 1.61 2.12 -1.26 -4.78 118.70 118.77 2uzg s GLU 47 Ca 0.00 -0.78 -0.15 0.00 0.36 0.00 0.00 54.97 54.40 2uzg s GLU 47 Cb 0.00 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.48 2uzg s GLU 47 CO 0.00 -0.08 0.49 0.42 -0.54 0.00 0.00 175.26 175.55 2uzg s ILE 48 N -2.24 4.92 0.64 -3.70 -1.09 -1.26 -4.79 121.20 113.68 2uzg s ILE 48 Ca -0.09 0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 59.07 2uzg s ILE 48 Cb -0.04 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2uzg s ILE 48 CO -0.04 0.41 1.04 0.42 -1.23 0.00 0.00 174.94 175.54 2uzg s THR 49 N -1.28 4.55 0.13 2.92 -4.23 -1.26 -4.90 115.64 111.57 2uzg s THR 49 Ca 0.31 0.83 -0.18 0.00 -1.18 0.00 0.00 61.69 61.47 2uzg s THR 49 Cb -0.16 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 2uzg s THR 49 CO 0.17 -1.08 1.78 0.50 -0.54 0.00 0.00 174.62 175.46 2uzg h LYS 50 N -0.41 0.33 -0.23 3.99 3.11 -1.99 -1.71 116.57 119.66 2uzg h LYS 50 Ca -0.44 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.41 2uzg h LYS 50 Cb 1.20 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 2uzg h LYS 50 CO 0.61 0.22 0.16 0.93 -2.81 0.00 0.00 179.45 178.56 2uzg h GLU 51 N 0.34 0.16 0.05 1.90 3.07 -1.99 -0.30 114.58 117.81 2uzg h GLU 51 Ca 0.10 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2uzg h GLU 51 Cb -0.02 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2uzg h GLU 51 CO -0.04 0.10 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.21 2uzg h ASP 52 N 0.16 -0.06 -0.10 1.42 5.19 -1.73 -3.17 116.42 118.14 2uzg h ASP 52 Ca 0.10 -0.46 -0.03 0.00 -0.62 0.00 0.00 57.03 56.02 2uzg h ASP 52 Cb 0.19 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2uzg h ASP 52 CO -0.02 0.45 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.47 2uzg h LEU 53 N -0.58 0.27 -0.69 1.55 3.38 -0.89 -2.61 115.31 115.75 2uzg h LEU 53 Ca -0.01 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2uzg h LEU 53 Cb 0.51 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2uzg h LEU 53 CO 0.01 0.34 0.36 0.40 0.09 0.00 0.00 178.44 179.65 2uzg h ILE 54 N 0.30 0.91 -0.13 1.22 1.08 -1.04 0.88 117.51 120.72 2uzg h ILE 54 Ca 0.07 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2uzg h ILE 54 Cb 0.22 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2uzg h ILE 54 CO 0.01 0.12 -0.03 -0.61 -0.69 0.00 0.00 178.15 176.95 2uzg h GLN 55 N 0.65 0.25 -0.16 2.37 4.15 -1.45 -2.53 115.11 118.39 2uzg h GLN 55 Ca 0.32 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 2uzg h GLN 55 Cb 0.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2uzg h GLN 55 CO -0.22 0.53 -0.14 0.87 -1.93 0.00 0.00 178.83 177.94 2uzg h LYS 56 N -0.06 0.25 0.00 1.69 1.57 -1.28 -1.51 116.57 117.23 2uzg h LYS 56 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2uzg h LYS 56 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2uzg h LYS 56 CO 0.01 0.40 0.00 -1.13 -0.57 0.00 0.00 179.45 178.16 2uzg n SER 57 N -4.26 0.37 0.29 0.86 3.41 0.30 -2.97 113.62 111.63 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 0.28 -0.66 1.02 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.88 1.04 3.38 -0.84 -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 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 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 -0.89 0.68 3.02 0.83 0.00 -1.16 -4.88 105.19 102.79 2uzg n GLY 59 Ca -0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 0.09 2.61 -4.23 -1.26 -1.53 115.64 109.02 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 73.54 2uzg s THR 60 CO 0.00 0.01 0.66 0.00 -0.54 0.00 0.00 174.62 174.75 2uzg h GLN 62 N 4.71 0.00 0.00 0.00 4.20 -1.51 -3.35 115.11 119.16 2uzg h GLN 62 Ca -0.48 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.14 2uzg h GLN 62 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2uzg h GLN 62 CO 0.66 0.66 -0.61 0.22 -0.67 0.00 0.00 178.83 179.08 2uzg h ASP 63 N 0.00 0.00 -2.09 1.46 3.58 -1.94 -3.50 116.42 113.94 2uzg h ASP 63 Ca -0.01 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2uzg h ASP 63 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2uzg h ASP 63 CO 0.09 1.10 0.00 0.00 -2.88 0.00 0.00 179.24 177.54 2uzg n LYS 65 N 0.00 2.24 -0.02 0.00 2.85 -1.26 -3.92 118.16 118.05 2uzg n LYS 65 Ca 0.00 -4.33 -0.03 0.00 -1.05 0.00 0.00 58.31 52.90 2uzg n LYS 65 Cb 0.00 -2.01 -0.12 0.00 -0.65 0.00 0.00 35.03 32.25 2uzg n LYS 65 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2uzg n VAL 66 N 0.59 1.18 -1.40 0.58 0.24 -1.26 -5.00 118.33 113.26 2uzg n VAL 66 Ca 0.28 -0.73 0.02 0.00 -2.04 0.00 0.00 64.34 61.87 2uzg n VAL 66 Cb 0.45 -0.63 -0.01 0.00 -1.47 0.00 0.00 33.84 32.18 2uzg n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2uzg n GLN 67 N -2.81 -3.63 0.00 7.34 6.02 -1.26 -4.98 117.38 118.07 2uzg n GLN 67 Ca -0.17 2.83 0.00 0.00 -0.01 0.00 0.00 57.00 59.65 2uzg n GLN 67 Cb 0.94 -3.60 0.00 0.00 1.02 0.00 0.00 30.24 28.60 2uzg n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uzg n GLY 68 N -2.70 -1.12 0.00 1.08 0.00 -0.58 -4.90 105.19 96.97 2uzg n GLY 68 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.15 -0.41 -2.61 1.61 -0.04 -1.26 -5.04 135.00 127.10 2uzg n PRO 69 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2uzg n PRO 69 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 2uzg n PRO 69 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2uzg n ASN 70 N -2.12 -5.96 -4.42 3.54 4.13 -1.26 -5.05 115.26 104.13 2uzg n ASN 70 Ca 0.00 -0.11 -0.32 0.00 1.68 0.00 0.00 54.58 55.84 2uzg n ASN 70 Cb 0.00 -3.99 -0.14 0.00 -1.54 0.00 0.00 39.78 34.11 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2uzg s LEU 71 N -3.57 2.47 -0.08 3.41 1.43 -1.26 -4.40 118.68 116.68 2uzg s LEU 71 Ca 0.04 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2uzg s LEU 71 Cb -0.01 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2uzg s LEU 71 CO 0.52 0.31 -0.19 0.26 0.23 0.00 0.00 176.35 177.48 2uzg s TRP 72 N -0.76 2.62 0.06 0.29 0.52 -0.37 -1.16 118.94 120.14 2uzg s TRP 72 Ca 0.12 -0.65 0.09 0.00 0.02 0.00 0.00 56.10 55.68 2uzg s TRP 72 Cb -0.10 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 2uzg s TRP 72 CO 0.02 -0.17 -0.24 0.00 0.02 0.00 0.00 176.95 176.57 2uzg s ALA 73 N -0.03 2.38 0.36 0.98 0.00 -0.76 -1.11 121.76 123.58 2uzg s ALA 73 Ca -0.06 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 2uzg s ALA 73 Cb -0.15 -0.54 -0.12 0.00 0.00 0.00 0.00 23.12 22.32 2uzg s ALA 73 CO 0.05 0.55 1.36 0.00 0.00 0.00 0.00 175.76 177.71 2uzg n LEU 75 N 0.62 0.68 -4.63 0.00 7.94 -0.59 -4.77 117.00 116.24 2uzg n LEU 75 Ca 0.04 0.16 -0.42 0.00 -1.11 0.00 0.00 56.01 54.68 2uzg n LEU 75 Cb 0.37 -0.14 0.01 0.00 0.53 0.00 0.00 43.42 44.19 2uzg n LEU 75 CO 0.63 -0.04 0.67 1.21 -1.11 0.00 0.00 177.39 178.75 2uzg n GLU 76 N -2.14 1.53 -0.06 1.96 4.07 -1.26 -4.25 120.64 120.49 2uzg n GLU 76 Ca 0.02 0.54 -0.12 0.00 -0.06 0.00 0.00 57.16 57.55 2uzg n GLU 76 Cb 0.45 -2.11 0.01 0.00 -0.06 0.00 0.00 31.44 29.74 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 1.78 0.84 1.02 4.31 -1.24 -1.86 -3.17 115.58 117.25 2uzg h ASN 77 Ca -0.45 -0.42 -0.16 0.00 0.71 0.00 0.00 56.30 55.99 2uzg h ASN 77 Cb 1.33 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 40.11 2uzg h ASN 77 CO 0.58 1.17 -1.04 -0.09 -1.29 0.00 0.00 177.43 176.77 2uzg h ARG 78 N 0.61 0.00 -5.69 6.67 1.12 -1.95 -3.46 114.38 111.68 2uzg h ARG 78 Ca 0.03 0.00 -0.61 0.00 -1.11 0.00 0.00 59.98 58.29 2uzg h ARG 78 Cb 1.05 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.93 2uzg h ARG 78 CO 0.10 0.49 -0.32 0.00 -3.11 0.00 0.00 179.97 177.13 2uzg n SER 80 N 2.64 1.93 -4.83 0.00 2.88 -1.26 -4.18 113.62 110.79 2uzg n SER 80 Ca -0.14 -2.77 -0.34 0.00 -1.33 0.00 0.00 58.87 54.28 2uzg n SER 80 Cb 0.53 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 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 -3.26 3.45 -0.26 0.66 2.02 -1.26 -4.91 117.35 113.78 2uzg s TYR 81 Ca 0.30 1.36 -0.04 0.00 -0.37 0.00 0.00 57.07 58.32 2uzg s TYR 81 Cb 0.44 -2.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2uzg s TYR 81 CO 0.00 0.12 -0.00 0.08 -1.57 0.00 0.00 175.55 174.19 2uzg s VAL 82 N -1.88 3.45 0.24 0.71 1.01 -1.26 -1.82 120.40 120.85 2uzg s VAL 82 Ca 0.53 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2uzg s VAL 82 Cb -0.12 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 2uzg s VAL 82 CO 0.18 0.22 0.04 -0.83 0.00 0.00 0.00 175.10 174.71 2uzg s GLY 83 N 1.44 1.62 -0.01 4.51 0.00 -0.26 -1.13 107.32 113.49 2uzg s GLY 83 Ca 0.03 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.95 2uzg s GLY 83 CO -0.01 -1.63 0.02 0.00 0.00 0.00 0.00 173.10 171.48 2uzg n GLY 85 N 1.41 -2.48 0.34 0.00 0.00 -1.26 0.65 105.19 103.84 2uzg n GLY 85 Ca -0.15 -1.48 0.21 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 -1.89 0.43 114.58 119.54 2uzg h GLU 86 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2uzg h GLU 86 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2uzg h GLU 86 CO 0.10 0.00 0.00 0.77 -0.73 0.00 0.00 179.01 179.15 2uzg h SER 87 N 0.00 0.00 0.00 1.04 0.02 -1.95 -3.37 113.55 109.29 2uzg h SER 87 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2uzg h SER 87 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 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 -2.93 0.00 -0.38 3.45 1.13 -0.29 -4.99 117.38 113.37 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 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.33 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 -2.78 0.00 -2.63 5.09 0.31 -0.85 -5.00 118.33 112.46 2uzg n VAL 89 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2uzg n VAL 89 Cb 0.00 0.34 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 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 -2.74 -0.31 4.52 2.03 0.13 -4.78 116.55 115.41 2uzg n ASP 90 Ca 0.00 0.20 0.10 0.00 0.52 0.00 0.00 54.79 55.61 2uzg n ASP 90 Cb 0.58 -2.38 0.32 0.00 -0.72 0.00 0.00 41.12 38.93 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 -0.14 0.95 -0.72 -0.67 3.86 0.05 0.96 115.15 119.43 2uzg h HIS 91 Ca -0.21 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.05 2uzg h HIS 91 Cb 1.15 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.28 2uzg h HIS 91 CO 0.77 0.36 0.48 1.03 0.86 0.00 0.00 177.93 181.43 2uzg h SER 92 N 0.81 0.78 0.13 2.45 0.87 -1.63 0.92 113.55 117.89 2uzg h SER 92 Ca 0.47 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 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 -0.23 0.55 -0.06 0.74 -0.53 0.00 0.00 176.83 177.29 2uzg h THR 93 N 0.91 1.03 -0.40 2.23 2.02 -1.11 -1.05 112.91 116.54 2uzg h THR 93 Ca 0.28 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.50 2uzg h THR 93 Cb 0.00 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2uzg h THR 93 CO -0.07 0.23 0.10 0.40 0.37 0.00 0.00 175.52 176.54 2uzg h ILE 94 N -0.69 0.82 -0.90 3.11 2.04 -1.08 -0.67 117.51 120.14 2uzg h ILE 94 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2uzg h ILE 94 Cb 0.51 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2uzg h ILE 94 CO 0.03 0.04 0.59 -0.74 0.00 0.00 0.00 178.15 178.08 2uzg h HIS 95 N 0.24 1.13 -0.68 1.37 2.76 -0.86 -0.59 115.15 118.51 2uzg h HIS 95 Ca 0.19 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 2uzg h HIS 95 Cb 0.21 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 2uzg h HIS 95 CO -0.18 0.71 0.41 1.03 -1.30 0.00 0.00 177.93 178.59 2uzg h SER 96 N 1.21 0.65 -0.04 3.26 0.87 0.23 -1.58 113.55 118.15 2uzg h SER 96 Ca 0.33 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2uzg h SER 96 Cb -0.14 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2uzg h SER 96 CO -0.07 0.44 -0.06 1.56 -0.53 0.00 0.00 176.83 178.16 2uzg h GLN 97 N 0.78 0.12 -0.56 2.24 7.50 -0.66 0.86 115.11 125.39 2uzg h GLN 97 Ca 0.28 -0.07 0.11 0.00 0.50 0.00 0.00 58.65 59.47 2uzg h GLN 97 Cb 0.08 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.52 2uzg h GLN 97 CO -0.13 0.63 -0.02 1.49 -1.50 0.00 0.00 178.83 179.29 2uzg h GLU 98 N -0.38 0.10 -0.62 1.46 4.81 -0.90 -1.64 114.58 117.40 2uzg h GLU 98 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2uzg h GLU 98 Cb 0.62 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -0.73 0.00 0.00 179.01 178.61 2uzg n THR 99 N -5.27 1.07 -1.74 0.32 -2.24 -0.61 -4.94 114.28 100.86 2uzg n THR 99 Ca 0.07 -1.02 -0.20 0.00 -2.27 0.00 0.00 64.05 60.63 2uzg n THR 99 Cb 0.31 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.28 -1.50 -2.91 -0.78 5.02 0.11 -4.91 118.16 114.48 2uzg n LYS 100 Ca 0.21 1.15 -0.44 0.00 -2.02 0.00 0.00 58.31 57.21 2uzg n LYS 100 Cb 0.59 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.99 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 -2.76 2.88 -0.52 2.13 3.76 0.26 -4.87 115.29 116.17 2uzg s HIS 101 Ca 0.00 -0.92 0.05 0.00 -0.15 0.00 0.00 55.06 54.04 2uzg s HIS 101 Cb 0.00 -4.26 0.38 0.00 1.11 0.00 0.00 32.58 29.81 2uzg s HIS 101 CO 0.00 -1.55 1.20 0.66 -0.85 0.00 0.00 174.74 174.21 2uzg n TYR 102 N 7.11 1.16 -4.01 1.40 4.02 -1.26 -4.03 117.16 121.54 2uzg n TYR 102 Ca 0.06 -0.58 -0.30 0.00 -0.01 0.00 0.00 57.90 57.07 2uzg n TYR 102 Cb 0.46 -0.38 -0.16 0.00 -0.02 0.00 0.00 39.34 39.24 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 -1.42 2.04 -0.01 7.72 2.01 -1.26 -1.07 118.68 126.69 2uzg s LEU 103 Ca 0.27 -0.71 0.01 0.00 0.01 0.00 0.00 54.13 53.70 2uzg s LEU 103 Cb 0.21 -1.23 0.01 0.00 0.01 0.00 0.00 46.19 45.19 2uzg s LEU 103 CO 0.07 -0.10 -0.01 0.28 1.01 0.00 0.00 176.35 177.60 2uzg s THR 104 N 1.42 0.18 -0.17 5.49 -1.32 -0.81 -1.55 115.64 118.89 2uzg s THR 104 Ca 0.02 -0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 2uzg s THR 104 Cb -0.15 -0.21 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 2uzg s THR 104 CO -0.10 0.09 -0.20 0.54 -2.21 0.00 0.00 174.62 172.74 2uzg s VAL 105 N 0.38 2.04 -0.16 5.08 0.11 -0.66 0.40 120.40 127.59 2uzg s VAL 105 Ca -0.04 -0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 57.78 2uzg s VAL 105 Cb -0.06 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 2uzg s VAL 105 CO -0.01 0.54 1.21 0.54 -3.33 0.00 0.00 175.10 174.05 2uzg s ASN 106 N 1.15 6.99 0.00 3.54 2.20 -0.47 -1.83 114.94 126.52 2uzg s ASN 106 Ca 0.01 1.65 0.18 0.00 -0.94 0.00 0.00 52.86 53.76 2uzg s ASN 106 Cb -0.14 -2.54 0.83 0.00 -2.00 0.00 0.00 41.25 37.40 2uzg s ASN 106 CO -0.09 -0.71 1.57 0.18 -2.94 0.00 0.00 177.10 175.10 2uzg n LEU 107 N 6.33 0.00 0.09 3.54 4.32 -0.31 0.47 117.00 131.44 2uzg n LEU 107 Ca 0.13 0.41 -0.15 0.00 -0.02 0.00 0.00 56.01 56.38 2uzg n LEU 107 Cb 0.45 -0.41 -0.14 0.00 -1.62 0.00 0.00 43.42 41.70 2uzg n LEU 107 CO 0.55 -0.16 -0.10 0.74 -1.22 0.00 0.00 177.39 177.20 2uzg h THR 108 N 0.00 1.44 -0.00 -5.08 2.02 -1.91 -3.37 112.91 106.01 2uzg h THR 108 Ca 0.00 -3.04 0.00 0.00 0.77 0.00 0.00 66.41 64.14 2uzg h THR 108 Cb 0.25 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 2uzg h THR 108 CO 0.00 0.88 -0.06 0.41 0.37 0.00 0.00 175.52 177.12 2uzg n THR 109 N -3.49 0.00 -2.69 3.16 -1.04 -1.13 -5.01 114.28 104.08 2uzg n THR 109 Ca -0.09 -0.47 -0.18 0.00 -2.04 0.00 0.00 64.05 61.26 2uzg n THR 109 Cb 1.02 1.01 0.02 0.00 -1.82 0.00 0.00 70.33 70.55 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 -0.82 -2.24 -4.47 -4.42 4.77 0.18 -5.00 117.00 104.99 2uzg n LEU 110 Ca 0.00 -0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 2uzg n LEU 110 Cb 0.03 -2.53 -0.13 0.00 -2.33 0.00 0.00 43.42 38.45 2uzg n LEU 110 CO 0.03 0.06 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.57 2uzg s ARG 111 N -5.27 2.61 0.18 3.23 1.81 -1.17 -4.93 118.95 115.41 2uzg s ARG 111 Ca 0.16 -0.69 -0.06 0.00 -1.72 0.00 0.00 55.73 53.42 2uzg s ARG 111 Cb -0.07 -2.41 -0.06 0.00 -0.45 0.00 0.00 34.95 31.96 2uzg s ARG 111 CO 0.20 0.58 0.44 0.08 -0.68 0.00 0.00 175.30 175.91 2uzg s VAL 112 N -0.60 5.09 0.01 3.52 1.01 -1.14 -1.37 120.40 126.92 2uzg s VAL 112 Ca 0.09 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.27 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 -0.01 -0.11 0.86 0.00 0.00 0.00 175.10 175.84 2uzg s TRP 113 N -1.73 1.01 -0.28 5.22 -0.11 0.16 -0.50 118.94 122.72 2uzg s TRP 113 Ca 0.43 -0.25 -0.02 0.00 1.22 0.00 0.00 56.10 57.48 2uzg s TRP 113 Cb -0.12 -0.63 0.04 0.00 -1.50 0.00 0.00 33.47 31.26 2uzg s TRP 113 CO 0.24 -0.00 -0.02 0.00 -4.62 0.00 0.00 176.95 172.54 2uzg h TYR 115 N 8.01 0.91 0.25 0.00 0.99 -1.36 0.77 116.97 126.54 2uzg h TYR 115 Ca -0.25 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.21 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 1.02 -0.12 0.00 -0.00 0.00 0.00 178.16 179.66 2uzg h ALA 116 N 0.75 -0.33 -0.00 3.88 0.00 -1.95 -2.63 119.26 118.98 2uzg h ALA 116 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.83 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2uzg h ALA 116 CO 0.07 -0.67 -0.41 0.00 0.00 0.00 0.00 179.25 178.24 2uzg n SER 118 N -4.05 -2.15 -3.64 0.00 3.41 0.18 -5.05 113.62 102.33 2uzg n SER 118 Ca -0.02 -0.09 -0.01 0.00 -0.26 0.00 0.00 58.87 58.50 2uzg n SER 118 Cb 0.44 -1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2uzg s LYS 119 N -4.42 0.79 0.34 4.33 -2.85 -0.70 -5.03 119.74 112.20 2uzg s LYS 119 Ca 0.02 -0.46 -0.19 0.00 -1.00 0.00 0.00 55.97 54.34 2uzg s LYS 119 Cb -0.01 0.25 -0.10 0.00 -2.06 0.00 0.00 37.83 35.92 2uzg s LYS 119 CO 0.10 -0.36 0.82 -1.83 0.10 0.00 0.00 175.35 174.18 2uzg s GLU 120 N -2.55 4.18 0.23 1.78 -1.05 -1.26 -0.09 118.70 119.94 2uzg s GLU 120 Ca 0.17 0.92 0.01 0.00 -0.15 0.00 0.00 54.97 55.92 2uzg s GLU 120 Cb 0.01 -2.48 -0.05 0.00 -0.44 0.00 0.00 34.13 31.17 2uzg s GLU 120 CO 0.00 0.16 0.10 0.14 0.95 0.00 0.00 175.26 176.60 2uzg s VAL 121 N -1.92 0.40 -0.04 1.83 -7.23 0.34 -4.82 120.40 108.97 2uzg s VAL 121 Ca 0.54 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2uzg s VAL 121 Cb -0.12 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2uzg s VAL 121 CO 0.17 -0.06 -0.21 0.72 -0.31 0.00 0.00 175.10 175.42 2uzg s PHE 122 N -3.87 1.98 0.56 2.82 -0.12 -1.26 -2.88 117.98 115.21 2uzg s PHE 122 Ca 0.36 -0.52 -0.21 0.00 -0.05 0.00 0.00 56.93 56.51 2uzg s PHE 122 Cb 0.07 -1.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.12 2uzg s PHE 122 CO 0.12 -0.14 1.35 -0.51 -0.05 0.00 0.00 175.22 175.99 2uzg s LEU 123 N -0.18 3.81 0.04 -1.99 1.43 -1.26 -5.01 118.68 115.52 2uzg s LEU 123 Ca -0.00 2.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2uzg s LEU 123 Cb -0.11 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 2uzg s LEU 123 CO 0.02 -1.63 0.17 -0.62 0.23 0.00 0.00 176.35 174.52 2uzg s ASP 124 N -1.02 6.17 0.21 2.29 3.68 -1.26 -5.01 116.67 121.73 2uzg s ASP 124 Ca 0.73 0.24 0.03 0.00 2.13 0.00 0.00 52.55 55.68 2uzg s ASP 124 Cb -0.40 -1.87 0.16 0.00 -1.45 0.00 0.00 42.92 39.36 2uzg s ASP 124 CO 0.46 0.20 1.50 0.03 0.13 0.00 0.00 175.17 177.50 2uzg h ARG 125 N 3.41 0.24 -7.20 4.34 2.47 -2.03 -3.45 114.38 112.16 2uzg h ARG 125 Ca -0.47 -0.19 -0.49 0.00 -1.26 0.00 0.00 59.98 57.57 2uzg h ARG 125 Cb 1.17 0.04 0.05 0.00 -1.65 0.00 0.00 29.97 29.58 2uzg h ARG 125 CO 0.71 0.84 0.38 0.21 0.56 0.00 0.00 179.97 182.67 2uzg s LYS 126 N -3.59 3.44 0.87 0.04 2.20 -1.26 -5.05 119.74 116.38 2uzg s LYS 126 Ca -0.04 1.14 -0.12 0.00 -0.36 0.00 0.00 55.97 56.59 2uzg s LYS 126 Cb 0.11 -2.05 0.11 0.00 -1.51 0.00 0.00 37.83 34.49 2uzg s LYS 126 CO 0.81 -0.71 1.15 -0.51 -0.36 0.00 0.00 175.35 175.73 2uzg s LEU 127 N -4.45 2.23 -0.04 5.43 1.43 -1.26 -5.03 118.68 116.99 2uzg s LEU 127 Ca 0.62 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2uzg s LEU 127 Cb -0.15 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2uzg s LEU 127 CO 0.36 -2.27 -0.01 0.61 0.23 0.00 0.00 176.35 175.27 2uzg n GLY 128 N -2.65 -0.15 0.00 -3.19 0.00 -1.26 -4.90 105.19 93.05 2uzg n GLY 128 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.30 0.00 -0.54 2.61 -2.24 -1.26 -4.94 114.28 105.61 2uzg n THR 129 Ca -0.07 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2uzg n THR 129 Cb 0.61 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17