#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bku n GLY 52 N 0.00 4.94 3.81 1.69 0.00 -0.86 -3.90 105.19 110.87 3bku n GLY 52 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 3.41 1.79 -0.12 1.61 0.08 -0.59 -0.87 117.98 123.29 3bku s PHE 53 Ca 0.00 -0.91 -0.30 0.00 0.12 0.00 0.00 56.93 55.84 3bku s PHE 53 Cb 0.00 -1.73 0.12 0.00 -0.57 0.00 0.00 43.02 40.84 3bku s PHE 53 CO 0.00 -0.03 0.97 0.00 -0.10 0.00 0.00 175.22 176.06 3bku s ALA 54 N -2.83 -1.91 -0.31 5.36 0.00 0.75 -1.49 121.76 121.33 3bku s ALA 54 Ca 0.17 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 3bku s ALA 54 Cb 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.79 3bku s ALA 54 CO 0.10 -0.42 0.03 0.08 0.00 0.00 0.00 175.76 175.55 3bku s VAL 55 N -1.66 3.13 -0.26 0.00 1.01 0.08 -0.77 120.40 121.93 3bku s VAL 55 Ca 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 3bku s VAL 55 Cb -0.01 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3bku s VAL 55 CO -0.01 -0.15 0.07 -0.22 0.00 0.00 0.00 175.10 174.79 3bku s LEU 56 N 1.27 3.50 0.01 3.92 2.96 -0.32 -0.34 118.68 129.68 3bku s LEU 56 Ca -0.04 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 3bku s LEU 56 Cb -0.20 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3bku s LEU 56 CO -0.01 -0.06 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.80 3bku s SER 57 N 1.59 2.57 0.19 3.68 1.04 0.28 0.35 113.70 123.40 3bku s SER 57 Ca 0.06 -0.46 -0.23 0.00 0.48 0.00 0.00 55.95 55.79 3bku s SER 57 Cb -0.15 -0.25 0.05 0.00 0.10 0.00 0.00 66.02 65.77 3bku s SER 57 CO 0.03 0.22 0.75 -0.72 0.98 0.00 0.00 173.24 174.50 3bku s TYR 58 N -0.65 -0.30 0.08 5.02 -0.85 -0.86 0.47 117.35 120.26 3bku s TYR 58 Ca 0.08 -0.02 0.09 0.00 -0.52 0.00 0.00 57.07 56.71 3bku s TYR 58 Cb -0.09 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.85 3bku s TYR 58 CO 0.01 -0.97 -0.24 0.08 -1.52 0.00 0.00 175.55 172.91 3bku s VAL 59 N -3.66 1.98 0.14 -3.49 1.01 0.23 -1.97 120.40 114.64 3bku s VAL 59 Ca 0.08 -1.48 -0.21 0.00 0.00 0.00 0.00 61.98 60.36 3bku s VAL 59 Cb -0.03 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.67 3bku s VAL 59 CO -0.02 0.16 0.54 -0.72 0.00 0.00 0.00 175.10 175.07 3bku s TYR 60 N -0.95 -0.44 0.08 5.22 1.13 -1.22 -0.46 117.35 120.71 3bku s TYR 60 Ca 0.10 0.24 -0.31 0.00 -1.41 0.00 0.00 57.07 55.69 3bku s TYR 60 Cb -0.10 0.46 -0.06 0.00 -1.10 0.00 0.00 41.96 41.16 3bku s TYR 60 CO 0.04 -0.79 1.25 -1.83 -2.51 0.00 0.00 175.55 171.71 3bku s GLU 61 N -3.62 4.40 0.14 -3.49 1.03 -1.26 -2.40 118.70 113.50 3bku s GLU 61 Ca 0.01 1.86 -0.15 0.00 0.03 0.00 0.00 54.97 56.72 3bku s GLU 61 Cb -0.00 -3.32 0.01 0.00 -0.80 0.00 0.00 34.13 30.02 3bku s GLU 61 CO -0.11 -0.31 1.68 1.25 -1.33 0.00 0.00 175.26 176.43 3bku h HIS 62 N 6.80 0.68 0.00 4.83 2.76 -1.42 -3.23 115.15 125.57 3bku h HIS 62 Ca -0.42 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 57.63 3bku h HIS 62 Cb 1.21 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 3bku h HIS 62 CO 0.67 0.60 -0.32 0.93 -1.30 0.00 0.00 177.93 178.51 3bku h GLU 63 N 0.56 0.00 -5.47 5.26 3.07 -1.93 -3.43 114.58 112.65 3bku h GLU 63 Ca 0.14 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.68 3bku h GLU 63 Cb 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3bku h GLU 63 CO -0.01 0.32 1.16 0.36 -1.40 0.00 0.00 179.01 179.44 3bku n LYS 64 N -3.32 0.79 -1.77 2.33 2.85 -1.22 -5.29 118.16 112.52 3bku n LYS 64 Ca 0.01 -0.27 -0.42 0.00 -1.05 0.00 0.00 58.31 56.58 3bku n LYS 64 Cb 0.55 -3.32 -0.03 0.00 -0.65 0.00 0.00 35.03 31.58 3bku n LYS 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3bku s ARG 65 N 8.50 3.76 0.00 -1.58 1.81 -1.26 -4.98 118.95 125.19 3bku s ARG 65 Ca 1.00 2.20 0.00 0.00 -1.72 0.00 0.00 55.73 57.21 3bku s ARG 65 Cb -0.25 -4.19 0.00 0.00 -0.45 0.00 0.00 34.95 30.06 3bku s ARG 65 CO 0.23 -1.37 0.00 0.72 -0.68 0.00 0.00 175.30 174.20 3bku n HIS 79 N 8.98 0.00 -0.36 -0.53 8.25 -1.26 -5.25 115.22 125.04 3bku n HIS 79 Ca 0.22 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.97 3bku n HIS 79 Cb 0.43 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.99 3bku n HIS 79 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3bku n ASP 80 N -0.78 0.00 0.06 0.41 8.00 -1.26 0.36 116.55 123.34 3bku n ASP 80 Ca 0.00 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.17 3bku n ASP 80 Cb 0.00 -0.27 0.41 0.00 -0.02 0.00 0.00 41.12 41.25 3bku n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3bku n LEU 81 N -3.00 0.34 -4.74 0.64 4.32 -1.26 -4.82 117.00 108.49 3bku n LEU 81 Ca 0.24 0.58 -0.40 0.00 -0.02 0.00 0.00 56.01 56.41 3bku n LEU 81 Cb 1.17 -0.52 -0.05 0.00 -1.62 0.00 0.00 43.42 42.40 3bku n LEU 81 CO 0.24 -0.37 0.52 -0.55 -1.22 0.00 0.00 177.39 176.01 3bku s SER 82 N -3.64 7.27 -0.17 -1.43 0.15 1.11 -1.08 113.70 115.91 3bku s SER 82 Ca 0.06 1.52 -0.09 0.00 0.70 0.00 0.00 55.95 58.15 3bku s SER 82 Cb 0.10 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.84 3bku s SER 82 CO 0.35 -0.04 -0.22 0.52 1.20 0.00 0.00 173.24 175.05 3bku n VAL 83 N 2.98 0.96 -3.56 4.45 0.31 -0.32 -4.87 118.33 118.29 3bku n VAL 83 Ca -0.01 -0.22 -0.06 0.00 -0.01 0.00 0.00 64.34 64.04 3bku n VAL 83 Cb 0.50 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 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 -2.33 -1.96 -0.01 3.52 0.00 -1.23 -5.02 121.76 114.74 3bku s ALA 84 Ca -0.24 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3bku s ALA 84 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3bku s ALA 84 CO 0.30 -0.60 -0.03 0.99 0.00 0.00 0.00 175.76 176.42 3bku s THR 85 N -2.54 0.32 -0.12 0.00 2.01 -1.26 -0.71 115.64 113.33 3bku s THR 85 Ca 0.07 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 3bku s THR 85 Cb -0.01 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 3bku s THR 85 CO -0.06 0.12 0.03 -0.22 -0.69 0.00 0.00 174.62 173.80 3bku s LEU 86 N 0.25 3.73 -0.08 4.42 2.96 0.44 -4.94 118.68 125.46 3bku s LEU 86 Ca -0.02 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 3bku s LEU 86 Cb -0.06 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3bku s LEU 86 CO -0.00 0.31 -0.24 -1.00 -1.32 0.00 0.00 176.35 174.10 3bku s HIS 87 N -0.47 2.51 -0.06 5.38 3.76 -1.26 -0.82 115.29 124.34 3bku s HIS 87 Ca 0.09 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 54.16 3bku s HIS 87 Cb -0.12 -1.66 0.04 0.00 1.11 0.00 0.00 32.58 31.95 3bku s HIS 87 CO 0.02 -0.27 0.12 0.08 -0.85 0.00 0.00 174.74 173.84 3bku s VAL 88 N 0.03 -0.09 -0.49 -0.90 1.01 0.11 -4.95 120.40 115.12 3bku s VAL 88 Ca -0.09 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 3bku s VAL 88 Cb -0.15 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3bku s VAL 88 CO 0.06 0.09 1.22 -1.00 0.00 0.00 0.00 175.10 175.47 3bku s HIS 89 N 1.38 2.65 -0.81 5.22 3.76 -1.26 0.30 115.29 126.54 3bku s HIS 89 Ca -0.07 0.62 0.27 0.00 -0.15 0.00 0.00 55.06 55.74 3bku s HIS 89 Cb -0.12 -4.44 0.87 0.00 1.11 0.00 0.00 32.58 30.01 3bku s HIS 89 CO -0.05 -1.52 1.76 0.44 -0.85 0.00 0.00 174.74 174.52 3bku n ILE 90 N 6.86 0.39 -2.88 0.60 -5.35 -0.87 -4.91 119.36 113.20 3bku n ILE 90 Ca 0.12 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3bku n ILE 90 Cb 0.49 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 -2.02 0.00 -0.30 7.28 0.23 -1.19 -5.01 115.26 114.25 3bku n ASN 91 Ca 0.06 -0.52 -0.04 0.00 -0.53 0.00 0.00 54.58 53.55 3bku n ASN 91 Cb 0.40 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.18 3bku n ASN 91 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 3bku h HIS 92 N 0.52 1.05 0.00 -2.53 -0.00 -2.03 -3.36 115.15 108.80 3bku h HIS 92 Ca 0.00 0.01 -0.32 0.00 -0.00 0.00 0.00 60.37 60.06 3bku h HIS 92 Cb 0.00 -0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 27.00 3bku h HIS 92 CO 0.00 0.68 -2.20 -0.25 -0.00 0.00 0.00 177.93 176.16 3bku n ASP 93 N -4.48 2.04 -4.89 3.26 8.00 -1.26 -4.98 116.55 114.23 3bku n ASP 93 Ca 0.08 -0.09 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 3bku n ASP 93 Cb 0.03 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 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 -5.87 6.51 -0.03 -2.24 1.01 -1.26 -1.05 116.67 113.75 3bku s ASP 94 Ca -0.25 0.82 0.02 0.00 0.71 0.00 0.00 52.55 53.85 3bku s ASP 94 Cb 0.07 -2.19 0.01 0.00 1.01 0.00 0.00 42.92 41.82 3bku s ASP 94 CO 0.53 -0.17 -0.06 0.00 0.21 0.00 0.00 175.17 175.68 3bku s LEU 96 N 0.44 4.42 -0.09 0.00 2.96 0.87 -3.37 118.68 123.91 3bku s LEU 96 Ca -0.06 1.23 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3bku s LEU 96 Cb -0.10 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.60 3bku s LEU 96 CO 0.00 0.07 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.30 3bku s GLU 97 N -0.13 1.71 -0.25 1.98 2.12 -0.83 0.09 118.70 123.39 3bku s GLU 97 Ca 0.33 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3bku s GLU 97 Cb -0.19 -1.54 0.06 0.00 0.26 0.00 0.00 34.13 32.72 3bku s GLU 97 CO 0.19 -0.10 -0.11 0.42 -0.54 0.00 0.00 175.26 175.12 3bku s ILE 98 N 1.09 2.22 -0.24 -3.70 1.01 -0.00 -2.04 121.20 119.54 3bku s ILE 98 Ca -0.06 -1.55 -0.10 0.00 0.00 0.00 0.00 60.65 58.93 3bku s ILE 98 Cb -0.14 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 3bku s ILE 98 CO -0.02 0.02 0.16 0.00 0.00 0.00 0.00 174.94 175.10 3bku s ALA 99 N 1.13 3.57 -0.20 9.38 0.00 0.16 -0.42 121.76 135.38 3bku s ALA 99 Ca -0.07 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 3bku s ALA 99 Cb -0.19 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3bku s ALA 99 CO -0.05 -0.24 0.49 0.08 0.00 0.00 0.00 175.76 176.03 3bku s VAL 100 N 1.15 5.13 0.00 0.00 1.01 0.11 -1.18 120.40 126.62 3bku s VAL 100 Ca 0.07 0.89 0.05 0.00 0.00 0.00 0.00 61.98 62.99 3bku s VAL 100 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3bku s VAL 100 CO 0.05 0.19 -0.16 -0.76 0.00 0.00 0.00 175.10 174.43 3bku s LEU 101 N 1.56 2.69 0.02 3.92 1.43 0.05 -1.17 118.68 127.18 3bku s LEU 101 Ca 0.23 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3bku s LEU 101 Cb -0.15 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3bku s LEU 101 CO 0.09 0.29 -0.10 -0.75 0.23 0.00 0.00 176.35 176.11 3bku s LYS 102 N -1.14 0.72 0.00 1.70 2.20 -0.24 -0.18 119.74 122.80 3bku s LYS 102 Ca 0.14 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 3bku s LYS 102 Cb -0.11 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 3bku s LYS 102 CO 0.04 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 3bku n GLY 103 N 2.15 0.39 3.59 5.54 0.00 -0.05 -4.37 105.19 112.43 3bku n GLY 103 Ca -0.17 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 6.53 0.54 1.61 3.68 -1.26 -2.02 116.67 121.74 3bku s ASP 104 Ca 0.00 0.35 0.40 0.00 2.13 0.00 0.00 52.55 55.43 3bku s ASP 104 Cb 0.00 -2.37 1.58 0.00 -1.45 0.00 0.00 42.92 40.68 3bku s ASP 104 CO 0.00 -0.64 1.74 0.24 0.13 0.00 0.00 175.17 176.63 3bku h MET 105 N 8.38 0.02 0.36 4.34 2.86 -1.90 0.52 114.93 129.51 3bku h MET 105 Ca -0.25 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3bku h MET 105 Cb 1.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3bku h MET 105 CO 0.87 0.01 -0.17 0.78 1.06 0.00 0.00 176.91 179.46 3bku h GLY 106 N 0.02 -0.50 1.26 8.32 0.00 -1.99 -0.17 103.07 110.00 3bku h GLY 106 Ca 0.67 0.19 0.04 0.00 0.00 0.00 0.00 47.33 48.22 3bku h GLY 106 CO -0.03 -0.18 0.41 -0.55 0.00 0.00 0.00 176.54 176.19 3bku h ASP 107 N -0.85 0.61 0.00 0.19 3.32 -0.63 -2.93 116.42 116.14 3bku h ASP 107 Ca -0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3bku h ASP 107 Cb 0.53 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3bku h ASP 107 CO 0.08 0.42 0.00 0.52 -1.72 0.00 0.00 179.24 178.54 3bku n VAL 108 N -4.47 0.00 0.03 -1.35 0.31 0.14 -2.36 118.33 110.63 3bku n VAL 108 Ca 0.08 1.37 0.18 0.00 -0.01 0.00 0.00 64.34 65.95 3bku n VAL 108 Cb 0.15 -2.37 0.39 0.00 -0.91 0.00 0.00 33.84 31.10 3bku n VAL 108 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3bku h GLN 109 N 0.00 0.00 0.05 5.55 5.75 -0.96 -0.24 115.11 125.25 3bku h GLN 109 Ca 0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 3bku h GLN 109 Cb 0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3bku h GLN 109 CO 0.00 0.00 -1.26 1.25 -2.65 0.00 0.00 178.83 176.17 3bku h HIS 110 N 0.00 0.18 0.00 3.99 2.76 -1.50 -2.77 115.15 117.81 3bku h HIS 110 Ca 0.27 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3bku h HIS 110 Cb 2.21 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 31.16 3bku h HIS 110 CO 0.00 1.49 -0.12 0.35 -1.30 0.00 0.00 177.93 178.36 3bku h PHE 111 N -0.67 0.00 0.12 5.26 -0.00 -0.70 0.15 116.94 121.10 3bku h PHE 111 Ca -0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.65 3bku h PHE 111 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.44 3bku h PHE 111 CO 0.12 0.12 -0.06 0.00 -0.00 0.00 0.00 178.31 178.49 3bku h ALA 112 N 1.88 -0.16 -0.25 2.41 0.00 -1.37 -3.00 119.26 118.77 3bku h ALA 112 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3bku h ALA 112 Cb 0.22 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3bku h ALA 112 CO 0.01 -0.28 -0.29 -0.44 0.00 0.00 0.00 179.25 178.26 3bku h ASP 113 N -0.78 -0.93 -0.17 0.00 3.45 -0.99 -0.78 116.42 116.23 3bku h ASP 113 Ca -0.02 0.16 0.02 0.00 0.43 0.00 0.00 57.03 57.62 3bku h ASP 113 Cb 0.55 0.42 -0.04 0.00 -0.56 0.00 0.00 39.33 39.71 3bku h ASP 113 CO 0.03 -0.31 -0.29 0.44 -1.57 0.00 0.00 179.24 177.53 3bku h ASP 114 N -0.29 -0.95 0.16 6.45 3.45 -0.80 1.36 116.42 125.79 3bku h ASP 114 Ca 0.14 0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.73 3bku h ASP 114 Cb 0.51 0.38 -0.04 0.00 -0.56 0.00 0.00 39.33 39.62 3bku h ASP 114 CO -0.42 -0.23 -0.41 0.58 -1.57 0.00 0.00 179.24 177.19 3bku h VAL 115 N -0.24 0.16 -0.51 -1.35 2.07 -1.36 0.59 116.25 115.61 3bku h VAL 115 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 3bku h VAL 115 Cb 0.33 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 3bku h VAL 115 CO -0.28 0.00 0.07 0.40 0.02 0.00 0.00 177.57 177.77 3bku h ILE 116 N -0.68 0.67 -0.01 4.57 2.04 -0.88 0.57 117.51 123.79 3bku h ILE 116 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3bku h ILE 116 Cb 0.69 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3bku h ILE 116 CO -0.22 0.04 0.04 0.00 0.00 0.00 0.00 178.15 178.01 3bku h ALA 117 N 1.42 1.23 -2.40 1.87 0.00 0.26 -3.44 119.26 118.20 3bku h ALA 117 Ca 0.26 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.63 3bku h ALA 117 Cb 0.37 0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.36 3bku h ALA 117 CO -0.37 -0.05 -0.25 0.94 0.00 0.00 0.00 179.25 179.52 3bku n GLN 118 N -3.32 0.06 -2.99 0.00 -0.06 0.20 -4.95 117.38 106.31 3bku n GLN 118 Ca -0.03 0.08 -0.40 0.00 -2.00 0.00 0.00 57.00 54.65 3bku n GLN 118 Cb 0.12 -2.01 -0.05 0.00 -4.06 0.00 0.00 30.24 24.24 3bku n GLN 118 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 3bku s ARG 119 N -3.45 4.48 0.00 3.69 1.70 -1.26 -3.36 118.95 120.74 3bku s ARG 119 Ca 0.65 1.03 0.00 0.00 -0.47 0.00 0.00 55.73 56.94 3bku s ARG 119 Cb -0.28 -3.38 0.00 0.00 -0.57 0.00 0.00 34.95 30.71 3bku s ARG 119 CO 0.59 0.23 0.00 0.41 -1.08 0.00 0.00 175.30 175.45 3bku n GLY 120 N 2.56 1.12 3.41 3.88 0.00 -1.26 -4.99 105.19 109.91 3bku n GLY 120 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.83 5.18 0.58 1.61 1.01 -1.21 -4.38 120.40 120.36 3bku s VAL 121 Ca 0.00 -2.25 -0.07 0.00 0.00 0.00 0.00 61.98 59.66 3bku s VAL 121 Cb 0.00 -4.70 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 3bku s VAL 121 CO 0.00 -1.36 0.92 -0.13 0.00 0.00 0.00 175.10 174.53 3bku s ARG 122 N 1.32 3.22 -1.55 2.72 3.00 0.39 -4.37 118.95 123.66 3bku s ARG 122 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 55.73 56.30 3bku s ARG 122 Cb -0.06 -2.23 0.00 0.00 0.00 0.00 0.00 34.95 32.66 3bku s ARG 122 CO -0.07 -0.58 0.00 0.72 0.00 0.00 0.00 175.30 175.36 3bku n HIS 123 N -2.59 -0.66 -1.69 -0.53 8.25 -1.26 0.75 115.22 117.49 3bku n HIS 123 Ca 0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.06 3bku n HIS 123 Cb 0.56 -3.06 -0.04 0.00 1.12 0.00 0.00 29.99 28.58 3bku n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bku n GLY 124 N -0.55 1.40 3.11 -1.41 0.00 -1.26 -4.41 105.19 102.07 3bku n GLY 124 Ca -0.17 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 3bku n GLY 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bku s HIS 125 N 1.54 -0.44 -0.16 1.61 2.46 0.18 -4.98 115.29 115.49 3bku s HIS 125 Ca 0.79 0.98 -0.03 0.00 0.47 0.00 0.00 55.06 57.27 3bku s HIS 125 Cb -0.58 0.10 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 3bku s HIS 125 CO 0.36 -0.30 -0.05 -1.17 -2.47 0.00 0.00 174.74 171.12 3bku s LEU 126 N 1.60 3.13 -0.28 8.88 2.96 -1.26 -0.56 118.68 133.16 3bku s LEU 126 Ca -0.07 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3bku s LEU 126 Cb -0.10 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3bku s LEU 126 CO -0.10 0.14 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.46 3bku s GLN 127 N 0.50 2.54 0.04 1.98 0.74 0.54 -4.95 119.66 121.05 3bku s GLN 127 Ca -0.04 -1.18 -0.19 0.00 0.05 0.00 0.00 55.36 54.00 3bku s GLN 127 Cb -0.15 -3.08 -0.06 0.00 1.10 0.00 0.00 33.01 30.83 3bku s GLN 127 CO 0.03 -0.54 0.57 0.00 -0.55 0.00 0.00 175.29 174.80 3bku n LEU 129 N 2.09 1.17 -4.72 0.00 4.77 -0.55 -4.99 117.00 114.76 3bku n LEU 129 Ca -0.09 -4.83 -0.37 0.00 -0.03 0.00 0.00 56.01 50.68 3bku n LEU 129 Cb 0.51 0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.78 3bku n LEU 129 CO 0.42 1.95 0.89 -0.81 -1.33 0.00 0.00 177.39 178.51 3bku n PRO 130 N 1.82 1.18 0.00 3.23 -0.04 -1.26 -1.53 135.00 138.39 3bku n PRO 130 Ca 0.25 0.46 0.02 0.00 -0.04 0.00 0.00 63.50 64.19 3bku n PRO 130 Cb 0.46 -2.52 0.11 0.00 -0.04 0.00 0.00 33.50 31.51 3bku n PRO 130 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82