#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bku s GLN 51 N 0.00 0.46 0.00 1.09 -1.52 -1.26 -1.39 119.66 117.04 3bku s GLN 51 Ca 0.00 0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.82 3bku s GLN 51 Cb 0.00 -1.75 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 3bku s GLN 51 CO 0.00 -2.69 0.00 0.41 -0.25 0.00 0.00 175.29 172.76 3bku n GLY 52 N -1.35 2.45 3.79 3.09 0.00 -0.62 -4.55 105.19 108.00 3bku n GLY 52 Ca 0.06 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 3bku n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bku s PHE 53 N -2.00 3.20 -0.00 1.61 0.08 -0.64 -1.09 117.98 119.13 3bku s PHE 53 Ca 0.00 0.06 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 3bku s PHE 53 Cb 0.00 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.85 3bku s PHE 53 CO 0.00 0.52 0.09 0.00 -0.10 0.00 0.00 175.22 175.73 3bku s ALA 54 N -1.52 -0.20 -0.31 5.36 0.00 0.01 0.75 121.76 125.84 3bku s ALA 54 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3bku s ALA 54 Cb -0.12 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.14 3bku s ALA 54 CO 0.23 -0.17 0.01 0.08 0.00 0.00 0.00 175.76 175.91 3bku s VAL 55 N -1.13 2.59 -0.23 0.00 1.01 -0.61 -0.29 120.40 121.74 3bku s VAL 55 Ca -0.12 -1.81 -0.09 0.00 0.00 0.00 0.00 61.98 59.96 3bku s VAL 55 Cb -0.07 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3bku s VAL 55 CO 0.01 -0.29 0.13 -0.22 0.00 0.00 0.00 175.10 174.72 3bku s LEU 56 N 1.10 3.91 0.03 3.92 2.96 0.13 -2.10 118.68 128.63 3bku s LEU 56 Ca -0.00 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3bku s LEU 56 Cb -0.20 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3bku s LEU 56 CO -0.05 0.05 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.02 3bku s SER 57 N 1.11 0.87 0.12 3.68 1.04 -0.88 0.71 113.70 120.35 3bku s SER 57 Ca 0.06 -0.47 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 3bku s SER 57 Cb -0.14 0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.07 3bku s SER 57 CO 0.04 -0.14 1.09 -0.72 0.98 0.00 0.00 173.24 174.49 3bku s TYR 58 N -1.13 -0.01 0.16 5.02 -0.85 -0.72 -1.03 117.35 118.79 3bku s TYR 58 Ca -0.07 -0.29 0.10 0.00 -0.52 0.00 0.00 57.07 56.30 3bku s TYR 58 Cb -0.08 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 3bku s TYR 58 CO 0.00 -0.72 -0.23 0.08 -1.52 0.00 0.00 175.55 173.16 3bku s VAL 59 N -2.50 2.14 -0.23 -3.49 1.01 0.96 -0.97 120.40 117.33 3bku s VAL 59 Ca 0.19 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 3bku s VAL 59 Cb -0.01 -1.96 0.16 0.00 0.00 0.00 0.00 36.38 34.58 3bku s VAL 59 CO 0.02 -0.09 1.20 -0.72 0.00 0.00 0.00 175.10 175.52 3bku s TYR 60 N -1.50 -0.18 -0.08 5.22 1.13 -0.85 -0.18 117.35 120.93 3bku s TYR 60 Ca 0.16 0.29 -0.30 0.00 -1.41 0.00 0.00 57.07 55.81 3bku s TYR 60 Cb -0.08 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 3bku s TYR 60 CO 0.07 -0.17 1.58 -1.21 -2.51 0.00 0.00 175.55 173.31 3bku s GLU 61 N -1.18 4.18 0.56 -3.49 2.02 -1.26 -0.78 118.70 118.76 3bku s GLU 61 Ca 0.05 2.08 0.37 0.00 0.02 0.00 0.00 54.97 57.49 3bku s GLU 61 Cb -0.01 -3.95 1.50 0.00 0.10 0.00 0.00 34.13 31.77 3bku s GLU 61 CO -0.04 -0.83 1.70 1.12 0.02 0.00 0.00 175.26 177.24 3bku h HIS 62 N 9.31 0.00 0.00 1.61 2.07 -1.81 -3.47 115.15 122.86 3bku h HIS 62 Ca -0.37 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.05 3bku h HIS 62 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3bku h HIS 62 CO 0.87 0.00 1.23 0.39 -3.07 0.00 0.00 177.93 177.36 3bku n GLU 63 N -3.93 0.61 0.11 5.12 4.71 -1.26 -5.10 120.64 120.90 3bku n GLU 63 Ca 0.26 -0.66 -0.02 0.00 -0.01 0.00 0.00 57.16 56.73 3bku n GLU 63 Cb 1.36 -2.01 0.02 0.00 -1.01 0.00 0.00 31.44 29.80 3bku n GLU 63 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 3bku h ASP 80 N 6.94 0.00 -0.59 1.62 1.82 -2.05 -3.55 116.42 120.62 3bku h ASP 80 Ca 0.13 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.61 3bku h ASP 80 Cb 0.11 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.02 3bku h ASP 80 CO 0.97 0.74 0.16 0.18 -1.61 0.00 0.00 179.24 179.68 3bku n LEU 81 N -3.42 5.38 -4.70 2.28 4.77 -1.26 -5.01 117.00 115.04 3bku n LEU 81 Ca 0.00 -3.25 -0.41 0.00 -0.03 0.00 0.00 56.01 52.32 3bku n LEU 81 Cb 0.78 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3bku n LEU 81 CO 0.43 0.83 0.61 -0.55 -1.33 0.00 0.00 177.39 177.39 3bku s SER 82 N -1.42 7.16 -0.23 -1.43 0.15 -1.26 -2.08 113.70 114.59 3bku s SER 82 Ca 0.51 1.41 -0.14 0.00 0.70 0.00 0.00 55.95 58.43 3bku s SER 82 Cb 0.42 -2.50 -0.10 0.00 -1.71 0.00 0.00 66.02 62.13 3bku s SER 82 CO 0.11 -0.28 -0.34 0.52 1.20 0.00 0.00 173.24 174.45 3bku n VAL 83 N 4.15 1.45 -3.63 4.45 0.31 0.00 -4.90 118.33 120.17 3bku n VAL 83 Ca 0.04 -0.21 -0.07 0.00 -0.01 0.00 0.00 64.34 64.10 3bku n VAL 83 Cb 0.50 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 3bku n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bku s ALA 84 N -2.59 -2.06 -0.03 3.52 0.00 -1.21 -5.01 121.76 114.37 3bku s ALA 84 Ca -0.34 1.76 0.04 0.00 0.00 0.00 0.00 51.96 53.43 3bku s ALA 84 Cb 0.11 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3bku s ALA 84 CO 0.44 -0.21 -0.17 0.99 0.00 0.00 0.00 175.76 176.82 3bku s THR 85 N -0.23 1.38 -0.09 0.00 2.01 -1.26 -1.10 115.64 116.36 3bku s THR 85 Ca 0.04 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3bku s THR 85 Cb -0.04 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3bku s THR 85 CO -0.08 0.40 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.87 3bku s LEU 86 N -0.06 2.62 0.01 4.42 2.96 0.30 -4.96 118.68 123.96 3bku s LEU 86 Ca -0.01 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3bku s LEU 86 Cb -0.10 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3bku s LEU 86 CO 0.01 0.25 -0.26 -1.00 -1.32 0.00 0.00 176.35 174.04 3bku s HIS 87 N -0.17 2.34 -0.16 5.38 3.76 -1.26 -0.10 115.29 125.09 3bku s HIS 87 Ca -0.01 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.41 3bku s HIS 87 Cb -0.13 -1.46 0.06 0.00 1.11 0.00 0.00 32.58 32.16 3bku s HIS 87 CO 0.03 0.04 0.36 0.08 -0.85 0.00 0.00 174.74 174.40 3bku s VAL 88 N -0.70 -0.24 0.02 -0.90 1.01 -0.29 -4.99 120.40 114.31 3bku s VAL 88 Ca 0.11 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 3bku s VAL 88 Cb -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3bku s VAL 88 CO 0.00 0.06 1.16 -1.00 0.00 0.00 0.00 175.10 175.32 3bku s HIS 89 N 1.82 3.41 -1.77 5.22 3.76 -1.26 0.58 115.29 127.05 3bku s HIS 89 Ca -0.06 1.35 0.17 0.00 -0.15 0.00 0.00 55.06 56.38 3bku s HIS 89 Cb -0.10 -3.36 0.35 0.00 1.11 0.00 0.00 32.58 30.58 3bku s HIS 89 CO -0.11 -1.04 1.27 0.44 -0.85 0.00 0.00 174.74 174.45 3bku n ILE 90 N 4.11 0.61 0.00 0.60 -5.35 0.46 -4.89 119.36 114.89 3bku n ILE 90 Ca 0.09 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 3bku n ILE 90 Cb 0.47 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 3bku n ILE 90 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3bku n ASN 91 N 1.08 0.00 -0.04 7.28 0.23 -1.16 -4.89 115.26 117.74 3bku n ASN 91 Ca 0.15 0.00 0.24 0.00 -0.53 0.00 0.00 54.58 54.45 3bku n ASN 91 Cb 0.50 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.86 3bku n ASN 91 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3bku h HIS 92 N 0.00 0.00 0.00 -2.53 -0.00 -2.03 -2.70 115.15 107.89 3bku h HIS 92 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.02 3bku h HIS 92 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 3bku h HIS 92 CO 0.00 0.00 -2.30 -0.25 -0.00 0.00 0.00 177.93 175.38 3bku n ASP 93 N -3.61 2.15 -4.86 3.10 8.00 -1.26 -4.95 116.55 115.11 3bku n ASP 93 Ca 0.14 -0.05 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 3bku n ASP 93 Cb 0.96 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 3bku n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bku s ASP 94 N -6.36 6.70 -0.06 -2.24 1.01 -1.02 -2.44 116.67 112.26 3bku s ASP 94 Ca -0.31 0.90 0.03 0.00 0.71 0.00 0.00 52.55 53.88 3bku s ASP 94 Cb 0.09 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.80 3bku s ASP 94 CO 0.50 0.13 -0.15 0.00 0.21 0.00 0.00 175.17 175.85 3bku s LEU 96 N 0.35 4.29 -0.06 0.00 2.96 0.19 -2.01 118.68 124.41 3bku s LEU 96 Ca -0.10 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3bku s LEU 96 Cb -0.14 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.44 3bku s LEU 96 CO 0.04 0.26 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.48 3bku s GLU 97 N -0.19 1.82 -0.20 1.98 2.12 -0.14 -1.14 118.70 122.96 3bku s GLU 97 Ca 0.12 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.93 3bku s GLU 97 Cb -0.12 -1.52 0.04 0.00 0.26 0.00 0.00 34.13 32.79 3bku s GLU 97 CO 0.01 0.13 -0.11 0.42 -0.54 0.00 0.00 175.26 175.17 3bku s ILE 98 N 0.36 1.72 -0.20 -3.70 1.01 0.85 -1.76 121.20 119.48 3bku s ILE 98 Ca -0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 3bku s ILE 98 Cb -0.14 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3bku s ILE 98 CO 0.03 0.21 -0.01 0.00 0.00 0.00 0.00 174.94 175.17 3bku s ALA 99 N 1.37 2.99 -0.24 9.38 0.00 0.22 -0.54 121.76 134.94 3bku s ALA 99 Ca -0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 3bku s ALA 99 Cb -0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 3bku s ALA 99 CO -0.09 -0.14 0.45 0.08 0.00 0.00 0.00 175.76 176.06 3bku s VAL 100 N 0.98 5.13 0.23 0.00 1.01 -0.26 -0.69 120.40 126.80 3bku s VAL 100 Ca 0.01 0.77 0.09 0.00 0.00 0.00 0.00 61.98 62.85 3bku s VAL 100 Cb -0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3bku s VAL 100 CO 0.01 0.16 -0.01 -0.76 0.00 0.00 0.00 175.10 174.50 3bku s LEU 101 N 1.92 3.23 -0.09 3.92 1.43 0.60 -0.82 118.68 128.87 3bku s LEU 101 Ca 0.19 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3bku s LEU 101 Cb -0.15 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.28 3bku s LEU 101 CO 0.09 0.04 0.25 -0.75 0.23 0.00 0.00 176.35 176.21 3bku s LYS 102 N -3.35 0.28 0.00 1.70 2.20 -0.88 -0.81 119.74 118.87 3bku s LYS 102 Ca 0.29 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 3bku s LYS 102 Cb -0.08 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 3bku s LYS 102 CO 0.19 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 3bku n GLY 103 N 3.02 0.87 3.64 5.54 0.00 -0.25 -4.63 105.19 113.38 3bku n GLY 103 Ca -0.13 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3bku n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bku s ASP 104 N -4.00 6.23 0.59 1.61 3.68 -1.26 -1.59 116.67 121.93 3bku s ASP 104 Ca 0.00 2.20 0.28 0.00 2.13 0.00 0.00 52.55 57.16 3bku s ASP 104 Cb 0.00 -2.53 1.69 0.00 -1.45 0.00 0.00 42.92 40.63 3bku s ASP 104 CO 0.00 -1.30 2.15 0.24 0.13 0.00 0.00 175.17 176.39 3bku h MET 105 N 11.54 0.00 -0.01 4.34 2.86 -1.51 0.53 114.93 132.68 3bku h MET 105 Ca -0.43 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 3bku h MET 105 Cb 1.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 3bku h MET 105 CO 0.96 0.00 0.00 0.78 1.06 0.00 0.00 176.91 179.71 3bku h GLY 106 N 0.00 0.01 0.83 8.32 0.00 -1.89 -1.32 103.07 109.02 3bku h GLY 106 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3bku h GLY 106 CO -0.00 0.01 -0.04 -0.55 0.00 0.00 0.00 176.54 175.95 3bku h ASP 107 N -0.14 0.44 0.12 0.19 3.32 -1.53 -2.27 116.42 116.55 3bku h ASP 107 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.72 3bku h ASP 107 Cb 0.16 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3bku h ASP 107 CO -0.00 0.69 -0.45 0.58 -1.72 0.00 0.00 179.24 178.34 3bku h VAL 108 N 0.18 0.11 -0.51 -1.35 2.07 -0.89 0.60 116.25 116.45 3bku h VAL 108 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3bku h VAL 108 Cb 0.49 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3bku h VAL 108 CO 0.02 0.00 0.32 1.56 0.02 0.00 0.00 177.57 179.49 3bku h GLN 109 N -0.69 0.68 0.70 1.57 4.20 -1.29 0.43 115.11 120.72 3bku h GLN 109 Ca 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3bku h GLN 109 Cb 0.71 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.34 3bku h GLN 109 CO -0.26 0.47 -0.34 1.25 -0.67 0.00 0.00 178.83 179.28 3bku h HIS 110 N 0.70 -0.87 -0.76 2.96 2.76 -0.70 1.11 115.15 120.34 3bku h HIS 110 Ca 0.19 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.50 3bku h HIS 110 Cb -0.05 0.29 -0.11 0.00 1.55 0.00 0.00 27.41 29.08 3bku h HIS 110 CO 0.00 -0.54 0.23 0.35 -1.30 0.00 0.00 177.93 176.66 3bku h PHE 111 N -1.11 0.36 0.10 5.26 3.04 0.46 -0.16 116.94 124.90 3bku h PHE 111 Ca -0.10 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 3bku h PHE 111 Cb 0.72 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.19 3bku h PHE 111 CO 0.03 -0.06 -0.05 0.00 -2.02 0.00 0.00 178.31 176.21 3bku h ALA 112 N 1.62 -0.14 -0.46 2.41 0.00 0.11 -2.44 119.26 120.35 3bku h ALA 112 Ca 0.44 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.36 3bku h ALA 112 Cb 0.75 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3bku h ALA 112 CO -0.50 -0.53 0.03 -0.44 0.00 0.00 0.00 179.25 177.81 3bku h ASP 113 N -0.24 -0.12 0.20 0.00 3.45 0.26 -1.92 116.42 118.04 3bku h ASP 113 Ca -0.01 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 3bku h ASP 113 Cb 0.19 0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3bku h ASP 113 CO 0.02 -0.03 -0.09 0.44 -1.57 0.00 0.00 179.24 178.01 3bku h ASP 114 N 0.15 -0.22 -0.57 6.45 3.32 -0.97 -2.41 116.42 122.17 3bku h ASP 114 Ca 0.23 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.32 3bku h ASP 114 Cb 0.32 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 3bku h ASP 114 CO -0.35 -0.09 0.19 0.58 -1.72 0.00 0.00 179.24 177.85 3bku h VAL 115 N -0.34 0.76 -0.09 -1.35 2.07 -1.23 0.05 116.25 116.12 3bku h VAL 115 Ca -0.03 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3bku h VAL 115 Cb 0.26 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3bku h VAL 115 CO 0.04 0.06 -0.02 0.40 0.02 0.00 0.00 177.57 178.08 3bku h ILE 116 N 0.36 1.08 0.00 4.57 2.04 -1.27 -2.71 117.51 121.57 3bku h ILE 116 Ca 0.29 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3bku h ILE 116 Cb 0.36 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3bku h ILE 116 CO -0.31 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 177.94 3bku h ALA 117 N 1.85 1.00 -2.76 1.87 0.00 -0.47 -3.45 119.26 117.30 3bku h ALA 117 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 3bku h ALA 117 Cb 0.13 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.99 3bku h ALA 117 CO 0.00 0.00 0.78 -0.65 0.00 0.00 0.00 179.25 179.38 3bku s GLN 118 N -3.11 4.24 0.20 0.00 -0.21 -0.93 -4.92 119.66 114.92 3bku s GLN 118 Ca 0.10 2.35 -0.32 0.00 0.02 0.00 0.00 55.36 57.51 3bku s GLN 118 Cb 0.11 -3.09 -0.12 0.00 1.00 0.00 0.00 33.01 30.91 3bku s GLN 118 CO 0.61 -0.45 1.72 2.89 -2.12 0.00 0.00 175.29 177.94 3bku n ARG 119 N 2.25 2.73 0.00 2.91 -4.01 -1.26 -1.47 116.66 117.81 3bku n ARG 119 Ca 0.07 0.98 0.00 0.00 -1.04 0.00 0.00 57.85 57.86 3bku n ARG 119 Cb 0.40 -2.83 0.00 0.00 -3.04 0.00 0.00 32.46 26.99 3bku n ARG 119 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3bku n GLY 120 N 3.95 2.59 3.66 2.89 0.00 -1.26 -5.05 105.19 111.98 3bku n GLY 120 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3bku n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bku s VAL 121 N -2.54 4.78 0.22 1.61 1.01 -0.54 -4.49 120.40 120.45 3bku s VAL 121 Ca 0.00 1.83 0.11 0.00 0.00 0.00 0.00 61.98 63.92 3bku s VAL 121 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3bku s VAL 121 CO 0.00 -0.07 -0.21 -0.13 0.00 0.00 0.00 175.10 174.69 3bku s ARG 122 N 2.65 1.53 -1.46 2.72 0.52 0.75 -4.77 118.95 120.89 3bku s ARG 122 Ca 0.41 -1.60 -0.12 0.00 -0.52 0.00 0.00 55.73 53.90 3bku s ARG 122 Cb -0.16 -1.70 0.08 0.00 0.52 0.00 0.00 34.95 33.70 3bku s ARG 122 CO 0.10 0.34 0.73 0.72 0.02 0.00 0.00 175.30 177.21 3bku n HIS 123 N -0.09 -2.00 -2.27 -0.53 8.25 -1.26 -0.03 115.22 117.29 3bku n HIS 123 Ca -0.10 0.69 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 3bku n HIS 123 Cb 0.58 -3.50 -0.03 0.00 1.12 0.00 0.00 29.99 28.16 3bku n HIS 123 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3bku s GLY 124 N -3.01 2.24 0.06 -1.41 0.00 -1.26 -4.43 107.32 99.51 3bku s GLY 124 Ca 0.54 1.02 0.01 0.00 0.00 0.00 0.00 44.72 46.29 3bku s GLY 124 CO 0.67 2.17 -0.06 -1.58 0.00 0.00 0.00 173.10 174.29 3bku s HIS 125 N 0.83 0.70 -0.07 1.90 5.04 -0.20 -5.01 115.29 118.49 3bku s HIS 125 Ca 0.61 -0.77 -0.03 0.00 -1.54 0.00 0.00 55.06 53.33 3bku s HIS 125 Cb -0.34 -0.43 0.04 0.00 0.04 0.00 0.00 32.58 31.89 3bku s HIS 125 CO 0.32 -0.17 0.14 -1.17 -2.34 0.00 0.00 174.74 171.51 3bku s LEU 126 N -2.39 0.52 -0.29 8.88 2.96 -1.26 -2.07 118.68 125.03 3bku s LEU 126 Ca 0.01 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3bku s LEU 126 Cb -0.01 0.28 0.06 0.00 0.50 0.00 0.00 46.19 47.02 3bku s LEU 126 CO -0.04 -0.18 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.21 3bku s GLN 127 N 1.50 2.22 0.33 1.98 0.74 -0.89 -4.99 119.66 120.54 3bku s GLN 127 Ca -0.05 -1.40 -0.17 0.00 0.05 0.00 0.00 55.36 53.79 3bku s GLN 127 Cb -0.12 -3.08 -0.09 0.00 1.10 0.00 0.00 33.01 30.82 3bku s GLN 127 CO -0.06 -0.66 0.78 0.00 -0.55 0.00 0.00 175.29 174.81 3bku n LEU 129 N -0.21 0.85 -0.34 0.00 4.77 0.23 -4.97 117.00 117.32 3bku n LEU 129 Ca 0.03 -4.85 0.08 0.00 -0.03 0.00 0.00 56.01 51.24 3bku n LEU 129 Cb 0.53 0.44 0.17 0.00 -2.33 0.00 0.00 43.42 42.22 3bku n LEU 129 CO 0.41 2.10 0.66 -2.65 -1.33 0.00 0.00 177.39 176.58 3bku n PRO 130 N 1.17 -0.08 0.00 3.23 -0.02 -1.26 -1.63 135.00 136.41 3bku n PRO 130 Ca 0.23 1.48 0.00 0.00 -2.02 0.00 0.00 63.50 63.19 3bku n PRO 130 Cb 0.52 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3bku n PRO 130 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84