#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 5.35 -2.79 0.55 5.03 -1.26 -4.99 115.26 117.16 2uzg n ASN 37 Ca 0.00 -3.17 0.00 0.00 0.87 0.00 0.00 54.58 52.28 2uzg n ASN 37 Cb 0.00 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.32 2uzg n ASN 37 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2uzg n HIS 38 N 3.37 -2.43 -4.61 3.10 -0.00 -1.26 -5.04 115.22 108.35 2uzg n HIS 38 Ca 0.38 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 58.22 2uzg n HIS 38 Cb 0.35 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.11 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 5.67 0.56 -0.41 0.00 0.13 -1.96 -0.87 132.00 135.13 2uzg h PRO 40 Ca -0.43 -0.23 0.08 0.00 -0.87 0.00 0.00 66.00 64.54 2uzg h PRO 40 Cb 1.18 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 2uzg h PRO 40 CO 0.55 0.79 -0.37 0.45 -0.23 0.00 0.00 178.00 179.18 2uzg h HIS 41 N 0.31 -1.07 -0.01 1.56 3.86 -1.98 -0.23 115.15 117.60 2uzg h HIS 41 Ca 0.07 0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 2uzg h HIS 41 Cb 0.61 0.53 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 2uzg h HIS 41 CO 0.06 -0.41 -0.79 1.37 0.86 0.00 0.00 177.93 179.02 2uzg h LEU 42 N -0.28 0.14 -2.72 2.43 8.10 -1.91 -3.06 115.31 118.00 2uzg h LEU 42 Ca 0.16 -0.11 -0.00 0.00 0.11 0.00 0.00 57.88 58.04 2uzg h LEU 42 Cb 0.56 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.74 2uzg h LEU 42 CO -0.57 0.87 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.85 2uzg h ASP 43 N 0.07 0.00 0.11 0.17 3.58 0.16 -2.57 116.42 117.94 2uzg h ASP 43 Ca -0.02 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.13 2uzg h ASP 43 Cb 1.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2uzg h ASP 43 CO 0.11 0.01 -1.57 -1.28 -2.88 0.00 0.00 179.24 173.62 2uzg h SER 44 N 0.00 0.36 -3.00 2.28 0.87 -1.00 -3.46 113.55 109.61 2uzg h SER 44 Ca -0.00 -0.84 -0.55 0.00 -1.23 0.00 0.00 61.79 59.17 2uzg h SER 44 Cb 0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2uzg h SER 44 CO 0.00 1.68 0.77 0.68 -0.53 0.00 0.00 176.83 179.43 2uzg s VAL 45 N -2.49 3.97 0.00 2.23 -7.23 -0.97 -4.98 120.40 110.94 2uzg s VAL 45 Ca -0.21 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.29 2uzg s VAL 45 Cb 0.05 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.14 2uzg s VAL 45 CO 0.75 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 2uzg n GLY 46 N 3.51 -2.77 3.34 2.32 0.00 -1.26 -4.80 105.19 105.53 2uzg n GLY 46 Ca 0.12 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 1.53 0.26 1.61 2.12 -1.26 -4.45 118.70 118.51 2uzg s GLU 47 Ca 0.00 -1.18 -0.22 0.00 0.36 0.00 0.00 54.97 53.93 2uzg s GLU 47 Cb 0.00 -1.83 -0.09 0.00 0.26 0.00 0.00 34.13 32.47 2uzg s GLU 47 CO 0.00 0.45 0.81 -1.50 -0.54 0.00 0.00 175.26 174.48 2uzg s ILE 48 N -0.93 4.44 0.59 -3.70 2.07 -1.26 -4.76 121.20 117.64 2uzg s ILE 48 Ca 0.11 1.48 -0.10 0.00 -1.41 0.00 0.00 60.65 60.73 2uzg s ILE 48 Cb -0.10 -3.91 -0.04 0.00 0.13 0.00 0.00 42.46 38.55 2uzg s ILE 48 CO 0.04 0.17 0.98 0.42 -1.91 0.00 0.00 174.94 174.64 2uzg s THR 49 N -1.57 4.74 0.39 4.00 -4.23 -1.26 -4.93 115.64 112.78 2uzg s THR 49 Ca 0.46 0.76 0.09 0.00 -1.18 0.00 0.00 61.69 61.82 2uzg s THR 49 Cb -0.17 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 69.98 2uzg s THR 49 CO 0.22 -1.08 1.94 0.07 -0.54 0.00 0.00 174.62 175.23 2uzg h LYS 50 N -0.18 0.30 -0.74 3.99 2.10 -1.98 -1.97 116.57 118.10 2uzg h LYS 50 Ca -0.45 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 2uzg h LYS 50 Cb 1.19 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.44 2uzg h LYS 50 CO 0.62 0.38 0.40 0.93 -2.00 0.00 0.00 179.45 179.78 2uzg h GLU 51 N 0.29 1.03 -0.07 0.07 3.07 -2.00 0.94 114.58 117.92 2uzg h GLU 51 Ca 0.06 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 2uzg h GLU 51 Cb 0.30 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2uzg h GLU 51 CO 0.01 0.77 -0.23 -0.44 -1.40 0.00 0.00 179.01 177.73 2uzg h ASP 52 N 1.02 0.33 -0.04 1.42 3.45 -1.85 -3.21 116.42 117.54 2uzg h ASP 52 Ca 0.26 -0.61 -0.03 0.00 0.43 0.00 0.00 57.03 57.07 2uzg h ASP 52 Cb 0.05 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 2uzg h ASP 52 CO -0.04 0.88 -0.05 -0.07 -1.57 0.00 0.00 179.24 178.39 2uzg h LEU 53 N -0.21 0.22 -0.80 1.55 3.38 -1.26 -2.61 115.31 115.58 2uzg h LEU 53 Ca -0.01 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.01 2uzg h LEU 53 Cb 0.85 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2uzg h LEU 53 CO 0.05 0.31 0.46 -0.29 0.09 0.00 0.00 178.44 179.06 2uzg h ILE 54 N 0.23 0.94 -0.13 1.22 6.09 -0.81 0.85 117.51 125.91 2uzg h ILE 54 Ca 0.05 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 63.23 2uzg h ILE 54 Cb 0.25 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 37.60 2uzg h ILE 54 CO 0.01 0.15 -0.07 -0.61 -3.07 0.00 0.00 178.15 174.55 2uzg h GLN 55 N 0.80 0.27 -0.17 2.19 4.15 -1.54 -2.82 115.11 118.00 2uzg h GLN 55 Ca 0.38 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 2uzg h GLN 55 Cb 0.30 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2uzg h GLN 55 CO -0.22 0.62 -0.10 0.87 -1.93 0.00 0.00 178.83 178.07 2uzg h LYS 56 N -0.08 0.26 0.00 1.69 1.57 -1.26 -1.23 116.57 117.53 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 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2uzg h LYS 56 CO 0.02 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 178.15 2uzg n SER 57 N -4.29 0.41 0.29 0.86 3.41 0.29 -2.69 113.62 111.90 2uzg n SER 57 Ca -0.00 0.60 0.20 0.00 -0.26 0.00 0.00 58.87 59.40 2uzg n SER 57 Cb 0.25 -0.69 1.01 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.83 1.04 3.38 -0.97 -3.46 115.31 114.47 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 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 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 -0.85 0.67 3.02 0.83 0.00 -1.10 -4.89 105.19 102.88 2uzg n GLY 59 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.23 -0.01 0.08 2.61 -4.23 -1.25 -1.31 115.64 109.30 2uzg s THR 60 Ca 0.00 0.02 -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 4.91 0.28 0.13 0.00 4.20 -1.53 -3.34 115.11 119.76 2uzg h GLN 62 Ca -0.47 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 57.89 2uzg h GLN 62 Cb 1.21 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2uzg h GLN 62 CO 0.67 1.08 -0.06 -0.44 -0.67 0.00 0.00 178.83 179.40 2uzg h ASP 63 N 0.14 -0.15 -3.88 1.46 3.32 -1.93 -3.48 116.42 111.91 2uzg h ASP 63 Ca -0.08 -0.40 -0.31 0.00 0.02 0.00 0.00 57.03 56.26 2uzg h ASP 63 Cb 1.66 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 41.19 2uzg h ASP 63 CO 0.16 0.39 -0.24 0.00 -1.72 0.00 0.00 179.24 177.83 2uzg s LYS 65 N -2.87 2.88 -0.15 0.00 -2.85 -1.26 -3.93 119.74 111.56 2uzg s LYS 65 Ca 0.05 -1.35 -0.06 0.00 -1.00 0.00 0.00 55.97 53.61 2uzg s LYS 65 Cb 0.00 -4.02 0.07 0.00 -2.06 0.00 0.00 37.83 31.82 2uzg s LYS 65 CO 0.04 -0.98 0.33 0.08 0.10 0.00 0.00 175.35 174.92 2uzg s VAL 66 N 1.59 -0.30 -0.56 1.79 1.01 -1.26 -4.98 120.40 117.68 2uzg s VAL 66 Ca 0.04 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2uzg s VAL 66 Cb -0.23 -0.52 0.07 0.00 0.00 0.00 0.00 36.38 35.70 2uzg s VAL 66 CO 0.06 0.08 0.75 -1.10 0.00 0.00 0.00 175.10 174.89 2uzg s GLN 67 N 1.99 3.13 0.46 2.72 -1.52 -1.26 -3.00 119.66 122.17 2uzg s GLN 67 Ca -0.04 -0.92 0.00 0.00 -1.95 0.00 0.00 55.36 52.45 2uzg s GLN 67 Cb -0.11 -4.16 0.00 0.00 -0.22 0.00 0.00 33.01 28.52 2uzg s GLN 67 CO -0.10 -1.46 0.00 0.41 -0.25 0.00 0.00 175.29 173.89 2uzg n GLY 68 N 5.22 -0.50 0.00 3.09 0.00 -0.43 -5.00 105.19 107.58 2uzg n GLY 68 Ca -0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.27 0.02 -1.88 1.61 -0.04 -1.26 -4.94 135.00 127.24 2uzg n PRO 69 Ca 0.00 0.18 -0.27 0.00 -0.04 0.00 0.00 63.50 63.37 2uzg n PRO 69 Cb 0.11 -0.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.82 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 -3.75 4.80 -0.11 3.54 0.01 -1.26 -4.67 114.94 113.50 2uzg s ASN 70 Ca -0.01 -0.09 -0.05 0.00 -0.71 0.00 0.00 52.86 52.00 2uzg s ASN 70 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2uzg s ASN 70 CO 0.01 -2.95 0.11 -0.76 -1.51 0.00 0.00 177.10 172.00 2uzg s LEU 71 N 11.20 4.18 0.08 0.60 1.43 -1.26 -4.50 118.68 130.41 2uzg s LEU 71 Ca 0.78 0.38 0.06 0.00 -1.03 0.00 0.00 54.13 54.31 2uzg s LEU 71 Cb -0.11 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2uzg s LEU 71 CO 0.09 0.40 -0.06 0.26 0.23 0.00 0.00 176.35 177.27 2uzg s TRP 72 N -1.00 2.86 0.01 0.29 0.52 -0.07 -0.92 118.94 120.62 2uzg s TRP 72 Ca 0.15 -0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.20 2uzg s TRP 72 Cb -0.12 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 2uzg s TRP 72 CO 0.04 0.44 -0.06 0.00 0.02 0.00 0.00 176.95 177.39 2uzg s ALA 73 N -1.22 0.46 0.27 0.98 0.00 -0.48 -0.73 121.76 121.05 2uzg s ALA 73 Ca 0.22 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 2uzg s ALA 73 Cb -0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 23.12 22.80 2uzg s ALA 73 CO 0.14 0.08 1.48 0.00 0.00 0.00 0.00 175.76 177.46 2uzg h LEU 75 N 4.32 0.00 -9.52 0.00 5.85 -1.54 -3.44 115.31 110.98 2uzg h LEU 75 Ca -0.46 -0.11 -0.57 0.00 0.84 0.00 0.00 57.88 57.58 2uzg h LEU 75 Cb 1.26 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.34 2uzg h LEU 75 CO 0.76 0.06 0.86 1.21 -0.34 0.00 0.00 178.44 180.99 2uzg n GLU 76 N -2.30 2.27 -0.12 1.25 0.00 -1.26 -4.48 120.64 115.99 2uzg n GLU 76 Ca 0.04 0.82 -0.01 0.00 0.00 0.00 0.00 57.16 58.01 2uzg n GLU 76 Cb 0.46 -2.61 0.24 0.00 0.00 0.00 0.00 31.44 29.52 2uzg n GLU 76 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2uzg h ASN 77 N 6.35 0.74 1.57 4.31 -1.24 -1.86 -2.34 115.58 123.11 2uzg h ASN 77 Ca -0.45 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.45 2uzg h ASN 77 Cb 1.25 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 40.10 2uzg h ASN 77 CO 0.90 0.67 -0.44 -0.09 -1.29 0.00 0.00 177.43 177.19 2uzg h ARG 78 N 0.79 0.00 -5.19 6.67 2.43 -1.95 -3.45 114.38 113.69 2uzg h ARG 78 Ca 0.19 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.74 2uzg h ARG 78 Cb 0.17 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.56 2uzg h ARG 78 CO -0.02 0.05 -0.56 0.00 -1.51 0.00 0.00 179.97 177.93 2uzg n SER 80 N 3.88 2.41 -4.56 0.00 7.64 -1.26 -4.25 113.62 117.49 2uzg n SER 80 Ca -0.16 -3.17 -0.31 0.00 1.01 0.00 0.00 58.87 56.24 2uzg n SER 80 Cb 0.52 -0.65 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 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 -2.04 2.75 -0.23 1.43 1.51 -1.26 -5.01 117.35 114.51 2uzg s TYR 81 Ca 0.38 -0.14 -0.05 0.00 -1.01 0.00 0.00 57.07 56.25 2uzg s TYR 81 Cb 0.17 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 2uzg s TYR 81 CO -0.05 0.37 0.00 0.08 -1.11 0.00 0.00 175.55 174.84 2uzg s VAL 82 N -1.07 3.80 0.14 0.71 1.01 -1.26 -1.78 120.40 121.95 2uzg s VAL 82 Ca 0.18 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2uzg s VAL 82 Cb -0.11 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2uzg s VAL 82 CO 0.10 0.40 0.01 -0.83 0.00 0.00 0.00 175.10 174.77 2uzg s GLY 83 N 1.42 1.03 -0.14 4.51 0.00 0.09 -1.19 107.32 113.04 2uzg s GLY 83 Ca 0.05 -1.49 -0.06 0.00 0.00 0.00 0.00 44.72 43.22 2uzg s GLY 83 CO 0.00 -1.45 0.07 0.00 0.00 0.00 0.00 173.10 171.73 2uzg n GLY 85 N 2.72 -3.16 0.15 0.00 0.00 -1.26 0.62 105.19 104.25 2uzg n GLY 85 Ca -0.18 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.92 0.17 0.28 1.61 1.02 -1.26 -0.11 120.64 121.42 2uzg n GLU 86 Ca 0.00 0.53 0.19 0.00 -0.02 0.00 0.00 57.16 57.86 2uzg n GLU 86 Cb 0.00 -1.91 0.96 0.00 -0.02 0.00 0.00 31.44 30.47 2uzg n GLU 86 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2uzg h SER 87 N 0.00 0.00 0.00 1.62 0.02 -1.94 -3.39 113.55 109.86 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 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 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 -2.86 0.00 -0.25 3.45 1.13 -0.94 -4.98 117.38 112.94 2uzg n GLN 88 Ca -0.02 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.08 2uzg n GLN 88 Cb 0.11 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.51 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 -1.17 0.76 -2.57 5.09 0.31 -1.17 -4.99 118.33 114.60 2uzg n VAL 89 Ca 0.00 -0.90 -0.13 0.00 -0.01 0.00 0.00 64.34 63.30 2uzg n VAL 89 Cb 0.00 0.29 -0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 -0.56 -3.75 -0.36 4.52 9.92 0.84 -4.81 116.55 122.36 2uzg n ASP 90 Ca 0.06 0.13 0.09 0.00 -0.53 0.00 0.00 54.79 54.54 2uzg n ASP 90 Cb 0.62 -3.18 0.26 0.00 -0.64 0.00 0.00 41.12 38.18 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 -0.14 1.10 -0.69 1.24 3.86 0.07 0.11 115.15 120.69 2uzg h HIS 91 Ca -0.30 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.98 2uzg h HIS 91 Cb 1.21 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 29.31 2uzg h HIS 91 CO 0.71 0.37 0.46 0.77 0.86 0.00 0.00 177.93 181.09 2uzg h SER 92 N 0.90 0.73 0.08 2.45 0.02 -1.62 0.16 113.55 116.28 2uzg h SER 92 Ca 0.52 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2uzg h SER 92 Cb 0.63 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2uzg h SER 92 CO -0.31 0.51 -0.04 0.74 -1.14 0.00 0.00 176.83 176.59 2uzg h THR 93 N 0.85 1.17 -0.08 -2.27 2.02 -1.10 -1.17 112.91 112.32 2uzg h THR 93 Ca 0.27 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.46 2uzg h THR 93 Cb 0.04 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2uzg h THR 93 CO -0.07 0.25 -0.12 0.40 0.37 0.00 0.00 175.52 176.35 2uzg h ILE 94 N -0.59 0.69 -0.97 3.11 2.04 -1.03 -1.39 117.51 119.37 2uzg h ILE 94 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2uzg h ILE 94 Cb 0.49 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2uzg h ILE 94 CO 0.02 0.00 0.63 -0.74 0.00 0.00 0.00 178.15 178.06 2uzg h HIS 95 N -0.16 1.16 -0.70 1.37 2.76 -1.03 -0.28 115.15 118.27 2uzg h HIS 95 Ca 0.07 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2uzg h HIS 95 Cb 0.26 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 2uzg h HIS 95 CO -0.22 0.61 0.42 1.03 -1.30 0.00 0.00 177.93 178.48 2uzg h SER 96 N 1.14 0.68 -0.04 3.26 0.87 -0.19 -1.69 113.55 117.58 2uzg h SER 96 Ca 0.41 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.96 2uzg h SER 96 Cb 0.15 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2uzg h SER 96 CO -0.16 0.46 -0.06 1.56 -0.53 0.00 0.00 176.83 178.10 2uzg h GLN 97 N 0.81 0.11 -0.58 2.24 7.50 -0.37 0.88 115.11 125.70 2uzg h GLN 97 Ca 0.29 -0.07 0.12 0.00 0.50 0.00 0.00 58.65 59.49 2uzg h GLN 97 Cb 0.08 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.51 2uzg h GLN 97 CO -0.13 0.62 -0.03 0.93 -1.50 0.00 0.00 178.83 178.72 2uzg h GLU 98 N -0.38 0.08 -0.51 1.46 4.39 -0.86 -1.68 114.58 117.08 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 0.61 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -1.16 0.00 0.00 179.01 178.17 2uzg n THR 99 N -5.30 1.31 -1.71 1.13 -2.24 -0.65 -4.94 114.28 101.88 2uzg n THR 99 Ca 0.08 -1.14 -0.18 0.00 -2.27 0.00 0.00 64.05 60.54 2uzg n THR 99 Cb 0.33 0.34 -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 0.84 -1.49 -2.82 -0.78 5.02 0.18 -4.89 118.16 114.22 2uzg n LYS 100 Ca 0.19 1.03 -0.43 0.00 -2.02 0.00 0.00 58.31 57.09 2uzg n LYS 100 Cb 0.63 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.17 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 -2.61 2.74 -0.39 2.13 3.76 0.25 -4.86 115.29 116.30 2uzg s HIS 101 Ca 0.00 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.20 2uzg s HIS 101 Cb 0.00 -4.37 0.38 0.00 1.11 0.00 0.00 32.58 29.70 2uzg s HIS 101 CO 0.00 -1.68 1.33 0.66 -0.85 0.00 0.00 174.74 174.20 2uzg n TYR 102 N 7.69 1.36 -3.91 1.40 4.02 -1.26 -4.03 117.16 122.42 2uzg n TYR 102 Ca 0.08 -0.84 -0.28 0.00 -0.01 0.00 0.00 57.90 56.85 2uzg n TYR 102 Cb 0.47 -0.48 -0.17 0.00 -0.02 0.00 0.00 39.34 39.14 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 -1.57 1.49 -0.01 7.72 2.01 -1.26 -1.36 118.68 125.70 2uzg s LEU 103 Ca 0.29 -0.52 0.01 0.00 0.01 0.00 0.00 54.13 53.92 2uzg s LEU 103 Cb 0.23 -0.93 0.01 0.00 0.01 0.00 0.00 46.19 45.51 2uzg s LEU 103 CO 0.07 -0.14 -0.03 0.28 1.01 0.00 0.00 176.35 177.54 2uzg s THR 104 N 1.64 0.28 -0.16 5.49 -1.32 -0.81 -1.49 115.64 119.27 2uzg s THR 104 Ca 0.03 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.44 2uzg s THR 104 Cb -0.14 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.58 2uzg s THR 104 CO -0.08 0.11 -0.21 0.54 -2.21 0.00 0.00 174.62 172.78 2uzg s VAL 105 N 0.33 2.03 -0.10 5.08 0.11 -0.20 0.34 120.40 127.98 2uzg s VAL 105 Ca -0.03 -0.94 -0.30 0.00 -2.93 0.00 0.00 61.98 57.78 2uzg s VAL 105 Cb -0.06 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.95 2uzg s VAL 105 CO -0.01 0.54 1.11 0.54 -3.33 0.00 0.00 175.10 173.96 2uzg s ASN 106 N 1.08 7.13 0.49 3.54 2.20 -0.22 -1.38 114.94 127.78 2uzg s ASN 106 Ca -0.01 1.65 0.29 0.00 -0.94 0.00 0.00 52.86 53.85 2uzg s ASN 106 Cb -0.14 -2.55 1.03 0.00 -2.00 0.00 0.00 41.25 37.59 2uzg s ASN 106 CO -0.08 -0.55 1.86 -0.07 -2.94 0.00 0.00 177.10 175.32 2uzg h LEU 107 N 8.38 0.00 -0.18 3.54 3.38 -1.36 0.61 115.31 129.68 2uzg h LEU 107 Ca -0.31 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 2uzg h LEU 107 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2uzg h LEU 107 CO 0.89 0.08 -0.64 0.74 0.09 0.00 0.00 178.44 179.59 2uzg h THR 108 N 0.00 1.16 -0.00 0.22 2.02 -1.83 -3.33 112.91 111.14 2uzg h THR 108 Ca -0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2uzg h THR 108 Cb 0.69 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2uzg h THR 108 CO 0.01 0.63 -0.10 0.41 0.37 0.00 0.00 175.52 176.84 2uzg n THR 109 N -3.34 0.00 -2.50 3.16 -1.04 -1.16 -5.00 114.28 104.40 2uzg n THR 109 Ca 0.01 -0.45 -0.20 0.00 -2.04 0.00 0.00 64.05 61.36 2uzg n THR 109 Cb 0.76 1.00 -0.00 0.00 -1.82 0.00 0.00 70.33 70.27 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 -0.98 -1.98 -4.50 -4.42 4.77 0.21 -4.98 117.00 105.12 2uzg n LEU 110 Ca 0.00 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.63 2uzg n LEU 110 Cb 0.04 -2.88 -0.12 0.00 -2.33 0.00 0.00 43.42 38.13 2uzg n LEU 110 CO 0.04 -0.15 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.38 2uzg s ARG 111 N -5.15 2.30 0.07 3.23 0.52 -1.16 -4.93 118.95 113.82 2uzg s ARG 111 Ca 0.05 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2uzg s ARG 111 Cb -0.02 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2uzg s ARG 111 CO 0.06 0.57 0.20 0.08 0.02 0.00 0.00 175.30 176.23 2uzg s VAL 112 N -0.91 5.32 0.01 3.52 1.01 -0.93 -1.05 120.40 127.36 2uzg s VAL 112 Ca 0.15 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2uzg s VAL 112 Cb -0.11 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2uzg s VAL 112 CO 0.05 0.13 -0.14 0.86 0.00 0.00 0.00 175.10 176.00 2uzg s TRP 113 N -1.51 1.20 -0.26 5.22 -0.11 0.15 0.24 118.94 123.87 2uzg s TRP 113 Ca 0.35 -0.27 -0.00 0.00 1.22 0.00 0.00 56.10 57.39 2uzg s TRP 113 Cb -0.13 -0.75 0.04 0.00 -1.50 0.00 0.00 33.47 31.14 2uzg s TRP 113 CO 0.28 0.00 -0.07 0.00 -4.62 0.00 0.00 176.95 172.54 2uzg h TYR 115 N 7.93 0.91 0.22 0.00 0.05 -1.47 0.38 116.97 124.98 2uzg h TYR 115 Ca -0.26 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.26 2uzg h TYR 115 Cb 1.07 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.61 2uzg h TYR 115 CO 0.60 1.02 -0.13 0.00 -1.05 0.00 0.00 178.16 178.60 2uzg h ALA 116 N 0.74 -0.32 -0.00 3.88 0.00 -1.95 -2.52 119.26 119.09 2uzg h ALA 116 Ca 0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2uzg h ALA 116 Cb 0.84 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2uzg h ALA 116 CO 0.07 -0.69 -0.45 0.00 0.00 0.00 0.00 179.25 178.18 2uzg n SER 118 N -4.00 -2.33 -3.76 0.00 7.64 0.05 -5.06 113.62 106.16 2uzg n SER 118 Ca -0.02 -0.10 0.02 0.00 1.01 0.00 0.00 58.87 59.78 2uzg n SER 118 Cb 0.47 -1.24 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 2uzg n SER 118 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2uzg n LYS 119 N -1.62 0.24 -3.45 1.43 -0.00 -0.74 -5.04 118.16 108.97 2uzg n LYS 119 Ca -0.03 -0.86 -0.38 0.00 -0.00 0.00 0.00 58.31 57.04 2uzg n LYS 119 Cb 0.52 1.36 -0.06 0.00 -0.00 0.00 0.00 35.03 36.86 2uzg n LYS 119 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2uzg s GLU 120 N -2.02 4.03 0.29 -1.58 -1.05 -1.26 -0.32 118.70 116.79 2uzg s GLU 120 Ca 0.29 0.43 0.09 0.00 -0.15 0.00 0.00 54.97 55.63 2uzg s GLU 120 Cb -0.01 -3.27 -0.06 0.00 -0.44 0.00 0.00 34.13 30.36 2uzg s GLU 120 CO 0.00 0.57 -0.13 0.14 0.95 0.00 0.00 175.26 176.80 2uzg s VAL 121 N -0.71 2.09 -0.04 1.83 -7.23 0.14 -4.86 120.40 111.61 2uzg s VAL 121 Ca 0.24 -2.25 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2uzg s VAL 121 Cb -0.16 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2uzg s VAL 121 CO 0.13 -0.35 -0.24 0.72 -0.31 0.00 0.00 175.10 175.04 2uzg s PHE 122 N -2.73 2.43 0.11 2.82 -0.71 -1.26 -2.20 117.98 116.43 2uzg s PHE 122 Ca 0.29 -0.55 -0.06 0.00 -1.04 0.00 0.00 56.93 55.58 2uzg s PHE 122 Cb -0.00 -1.57 -0.05 0.00 -1.21 0.00 0.00 43.02 40.19 2uzg s PHE 122 CO 0.13 -0.10 0.36 -1.17 -1.34 0.00 0.00 175.22 173.10 2uzg s LEU 123 N -0.40 4.30 -0.14 -1.99 1.98 -1.26 -5.03 118.68 116.15 2uzg s LEU 123 Ca 0.03 0.62 -0.07 0.00 -2.89 0.00 0.00 54.13 51.83 2uzg s LEU 123 Cb -0.12 -3.13 -0.04 0.00 0.66 0.00 0.00 46.19 43.56 2uzg s LEU 123 CO 0.01 0.11 0.09 -1.81 -1.89 0.00 0.00 176.35 172.87 2uzg s ASP 124 N -2.18 5.94 -0.13 3.68 -0.00 -1.26 -5.00 116.67 117.72 2uzg s ASP 124 Ca 0.37 0.27 -0.01 0.00 -0.00 0.00 0.00 52.55 53.17 2uzg s ASP 124 Cb -0.13 -1.93 -0.24 0.00 -0.00 0.00 0.00 42.92 40.62 2uzg s ASP 124 CO 0.22 0.31 0.33 -1.14 -0.00 0.00 0.00 175.17 174.89 2uzg n ARG 125 N 2.67 0.72 -3.21 8.23 0.63 -1.26 -4.98 116.66 119.45 2uzg n ARG 125 Ca -0.18 0.24 -0.23 0.00 -0.92 0.00 0.00 57.85 56.76 2uzg n ARG 125 Cb 0.54 -1.69 0.04 0.00 0.45 0.00 0.00 32.46 31.79 2uzg n ARG 125 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2uzg n LYS 126 N -3.35 -5.24 -4.41 -0.14 5.02 -1.26 -4.98 118.16 103.79 2uzg n LYS 126 Ca -0.31 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 56.50 2uzg n LYS 126 Cb 1.05 -5.70 -0.11 0.00 -0.02 0.00 0.00 35.03 30.24 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 -6.80 2.86 0.00 -0.35 1.43 -1.26 -5.10 118.68 109.46 2uzg s LEU 127 Ca 0.38 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2uzg s LEU 127 Cb -0.18 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2uzg s LEU 127 CO 0.47 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.88 2uzg n GLY 128 N 1.12 1.56 0.66 -3.19 0.00 -1.26 -5.06 105.19 99.02 2uzg n GLY 128 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 0.00 1.91 2.61 -1.04 -1.26 -5.25 114.28 111.18 2uzg n THR 129 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 2uzg n THR 129 Cb 0.00 0.00 0.91 0.00 -1.82 0.00 0.00 70.33 69.42 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10