#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkf n THR 50 N 0.00 0.00 -4.65 2.61 -2.24 -1.26 -4.88 114.28 103.85 3bkf n THR 50 Ca 0.00 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 3bkf n THR 50 Cb 0.00 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 3bkf n THR 50 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3bkf s GLN 51 N -3.10 2.58 0.00 -0.78 -1.52 -1.26 0.42 119.66 115.99 3bkf s GLN 51 Ca -0.05 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.70 3bkf s GLN 51 Cb 0.11 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 3bkf s GLN 51 CO 0.70 0.63 0.00 0.41 -0.25 0.00 0.00 175.29 176.78 3bkf n GLY 52 N 2.01 -0.68 3.46 3.09 0.00 -0.95 -1.80 105.19 110.31 3bkf n GLY 52 Ca -0.17 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 3bkf n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bkf s PHE 53 N -4.00 2.04 0.05 1.61 0.40 -0.58 -1.88 117.98 115.62 3bkf s PHE 53 Ca 0.00 -0.73 -0.20 0.00 -0.60 0.00 0.00 56.93 55.40 3bkf s PHE 53 Cb 0.00 -1.22 0.04 0.00 0.51 0.00 0.00 43.02 42.35 3bkf s PHE 53 CO 0.00 0.27 0.46 0.00 0.70 0.00 0.00 175.22 176.65 3bkf s ALA 54 N -3.00 -1.15 -0.19 5.36 0.00 -0.12 0.20 121.76 122.84 3bkf s ALA 54 Ca 0.31 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3bkf s ALA 54 Cb 0.05 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.58 3bkf s ALA 54 CO 0.13 -0.49 -0.15 0.08 0.00 0.00 0.00 175.76 175.34 3bkf s VAL 55 N -2.50 1.88 -0.24 0.00 1.01 0.34 -0.64 120.40 120.25 3bkf s VAL 55 Ca -0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 3bkf s VAL 55 Cb -0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3bkf s VAL 55 CO -0.02 0.34 0.06 -0.22 0.00 0.00 0.00 175.10 175.25 3bkf s LEU 56 N 1.32 3.42 0.07 3.92 2.96 -0.10 -0.23 118.68 130.05 3bkf s LEU 56 Ca 0.01 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3bkf s LEU 56 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3bkf s LEU 56 CO -0.10 -0.01 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.77 3bkf s SER 57 N 1.48 2.48 0.04 3.68 1.04 0.10 -0.28 113.70 122.23 3bkf s SER 57 Ca 0.06 -0.60 -0.28 0.00 0.48 0.00 0.00 55.95 55.61 3bkf s SER 57 Cb -0.15 -0.17 0.09 0.00 0.10 0.00 0.00 66.02 65.90 3bkf s SER 57 CO 0.03 0.10 0.92 -0.72 0.98 0.00 0.00 173.24 174.55 3bkf s TYR 58 N -0.98 -0.28 -0.17 5.02 -0.85 -0.62 -0.28 117.35 119.19 3bkf s TYR 58 Ca 0.07 0.10 -0.06 0.00 -0.52 0.00 0.00 57.07 56.66 3bkf s TYR 58 Cb -0.09 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 3bkf s TYR 58 CO 0.03 -0.61 0.01 0.08 -1.52 0.00 0.00 175.55 173.54 3bkf s VAL 59 N -3.15 4.32 -0.18 -3.49 1.01 0.09 -0.59 120.40 118.40 3bkf s VAL 59 Ca 0.07 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3bkf s VAL 59 Cb -0.01 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3bkf s VAL 59 CO -0.06 0.47 0.10 -0.47 0.00 0.00 0.00 175.10 175.15 3bkf s TYR 60 N 0.40 3.36 0.00 5.22 5.04 0.71 -0.73 117.35 131.35 3bkf s TYR 60 Ca -0.01 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 3bkf s TYR 60 Cb -0.13 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.08 3bkf s TYR 60 CO 0.02 0.28 0.00 -0.85 -1.34 0.00 0.00 175.55 173.65 3bkf n GLU 61 N 3.37 0.00 0.00 4.97 0.28 0.26 -2.22 120.64 127.30 3bkf n GLU 61 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 3bkf n GLU 61 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 3bkf n GLU 61 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 3bkf n HIS 79 N 0.00 0.00 -0.40 -1.84 -0.00 -1.26 -4.59 115.22 107.13 3bkf n HIS 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3bkf n HIS 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3bkf n HIS 79 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3bkf n ASP 80 N 0.00 0.00 -0.09 0.26 8.00 -1.26 -4.65 116.55 118.81 3bkf n ASP 80 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3bkf n ASP 80 Cb 0.00 -1.15 -0.16 0.00 -0.02 0.00 0.00 41.12 39.79 3bkf n ASP 80 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3bkf n LEU 81 N 0.00 0.00 -4.68 0.64 7.94 -1.26 -4.90 117.00 114.74 3bkf n LEU 81 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3bkf n LEU 81 Cb 0.00 0.45 -0.03 0.00 0.53 0.00 0.00 43.42 44.37 3bkf n LEU 81 CO 0.00 0.45 0.77 -0.44 -1.11 0.00 0.00 177.39 177.05 3bkf s SER 82 N -5.38 7.14 -0.17 1.96 0.01 -1.26 -1.12 113.70 114.87 3bkf s SER 82 Ca -0.10 1.41 -0.16 0.00 1.31 0.00 0.00 55.95 58.41 3bkf s SER 82 Cb 0.07 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.55 3bkf s SER 82 CO 0.84 -0.48 0.28 0.58 0.41 0.00 0.00 173.24 174.88 3bkf h VAL 83 N 5.19 0.82 -1.97 3.43 2.07 -0.90 -3.46 116.25 121.43 3bkf h VAL 83 Ca -0.28 -2.24 -0.04 0.00 0.82 0.00 0.00 66.70 64.95 3bkf h VAL 83 Cb 1.13 2.34 -0.20 0.00 -1.52 0.00 0.00 31.29 33.04 3bkf h VAL 83 CO 0.87 0.53 0.18 0.00 0.02 0.00 0.00 177.57 179.18 3bkf s ALA 84 N -2.44 -1.78 -0.05 1.67 0.00 -1.18 -5.02 121.76 112.96 3bkf s ALA 84 Ca -0.26 1.63 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3bkf s ALA 84 Cb 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3bkf s ALA 84 CO 0.66 -0.35 -0.09 0.99 0.00 0.00 0.00 175.76 176.97 3bkf s THR 85 N -0.51 0.86 -0.12 0.00 2.01 -1.26 -0.39 115.64 116.22 3bkf s THR 85 Ca -0.06 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 3bkf s THR 85 Cb -0.02 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 3bkf s THR 85 CO 0.06 0.29 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.93 3bkf s LEU 86 N 0.58 2.76 -0.16 4.42 2.96 0.87 -4.97 118.68 125.15 3bkf s LEU 86 Ca -0.10 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3bkf s LEU 86 Cb -0.13 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3bkf s LEU 86 CO 0.02 0.18 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.13 3bkf s HIS 87 N 0.25 2.88 -0.06 5.38 3.76 -1.26 -0.45 115.29 125.79 3bkf s HIS 87 Ca -0.09 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 3bkf s HIS 87 Cb -0.15 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.62 3bkf s HIS 87 CO 0.05 -0.29 -0.12 0.08 -0.85 0.00 0.00 174.74 173.61 3bkf s VAL 88 N 0.67 1.08 -0.05 -0.90 1.01 0.40 -4.98 120.40 117.64 3bkf s VAL 88 Ca -0.05 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3bkf s VAL 88 Cb -0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3bkf s VAL 88 CO 0.02 0.34 0.87 -1.00 0.00 0.00 0.00 175.10 175.33 3bkf s HIS 89 N 0.66 3.60 -0.13 5.22 3.76 -1.26 0.32 115.29 127.45 3bkf s HIS 89 Ca -0.14 1.49 -0.09 0.00 -0.15 0.00 0.00 55.06 56.17 3bkf s HIS 89 Cb -0.15 -3.00 -0.25 0.00 1.11 0.00 0.00 32.58 30.29 3bkf s HIS 89 CO 0.03 -0.01 0.33 -0.89 -0.85 0.00 0.00 174.74 173.36 3bkf n ILE 90 N 3.97 1.75 -3.52 0.60 5.41 -0.27 -4.91 119.36 122.39 3bkf n ILE 90 Ca 0.03 -0.57 -0.00 0.00 1.00 0.00 0.00 62.75 63.21 3bkf n ILE 90 Cb 0.51 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 3bkf n ILE 90 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3bkf n ASN 91 N -3.61 -0.28 -0.33 4.38 0.23 -1.10 -4.98 115.26 109.58 3bkf n ASN 91 Ca -0.32 -1.14 0.17 0.00 -0.53 0.00 0.00 54.58 52.75 3bkf n ASN 91 Cb 1.00 0.45 0.40 0.00 -2.08 0.00 0.00 39.78 39.54 3bkf n ASN 91 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 3bkf h HIS 92 N 1.16 0.91 0.00 -2.53 3.86 -2.04 -3.16 115.15 113.35 3bkf h HIS 92 Ca -0.04 0.03 -0.32 0.00 -1.16 0.00 0.00 60.37 58.88 3bkf h HIS 92 Cb 0.19 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.33 3bkf h HIS 92 CO 0.00 0.16 -2.28 -0.25 0.86 0.00 0.00 177.93 176.42 3bkf n ASP 93 N -4.73 0.31 -4.57 2.45 9.92 -1.26 -5.01 116.55 113.67 3bkf n ASP 93 Ca 0.24 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.16 3bkf n ASP 93 Cb 0.68 1.04 -0.11 0.00 -0.64 0.00 0.00 41.12 42.09 3bkf n ASP 93 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3bkf s ASP 94 N -5.26 4.78 -0.10 -2.24 1.01 -1.20 -4.57 116.67 109.10 3bkf s ASP 94 Ca -0.09 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.17 3bkf s ASP 94 Cb 0.06 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.57 3bkf s ASP 94 CO 0.78 0.30 -0.24 0.00 0.21 0.00 0.00 175.17 176.23 3bkf s LEU 96 N 0.36 4.16 -0.09 0.00 2.96 0.15 -0.21 118.68 126.02 3bkf s LEU 96 Ca -0.18 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 3bkf s LEU 96 Cb -0.18 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 3bkf s LEU 96 CO 0.08 -0.18 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.11 3bkf s GLU 97 N 1.58 2.96 -0.17 1.98 2.02 0.24 -0.46 118.70 126.85 3bkf s GLU 97 Ca 0.26 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.42 3bkf s GLU 97 Cb -0.16 -2.34 0.02 0.00 0.10 0.00 0.00 34.13 31.76 3bkf s GLU 97 CO 0.10 0.27 -0.17 0.42 0.02 0.00 0.00 175.26 175.90 3bkf s ILE 98 N 0.14 1.83 -0.14 -1.63 -1.09 0.40 -1.59 121.20 119.13 3bkf s ILE 98 Ca -0.11 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 3bkf s ILE 98 Cb -0.16 -1.69 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 3bkf s ILE 98 CO 0.06 0.49 -0.15 0.00 -1.23 0.00 0.00 174.94 174.11 3bkf s ALA 99 N 1.38 2.50 -0.28 9.38 0.00 0.61 -0.09 121.76 135.27 3bkf s ALA 99 Ca 0.05 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3bkf s ALA 99 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 3bkf s ALA 99 CO -0.12 0.13 0.30 0.08 0.00 0.00 0.00 175.76 176.16 3bkf s VAL 100 N 0.56 5.22 0.20 0.00 1.01 0.47 -0.92 120.40 126.94 3bkf s VAL 100 Ca -0.10 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.35 3bkf s VAL 100 Cb -0.16 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3bkf s VAL 100 CO 0.04 0.17 -0.07 -0.76 0.00 0.00 0.00 175.10 174.48 3bkf s LEU 101 N 1.95 3.05 -0.15 3.92 1.43 0.18 -0.16 118.68 128.90 3bkf s LEU 101 Ca 0.12 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 3bkf s LEU 101 Cb -0.16 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.42 3bkf s LEU 101 CO 0.10 0.08 0.40 -1.59 0.23 0.00 0.00 176.35 175.57 3bkf s LYS 102 N -3.06 0.45 0.00 1.70 -2.85 -0.28 -0.95 119.74 114.76 3bkf s LYS 102 Ca 0.27 0.59 0.00 0.00 -1.00 0.00 0.00 55.97 55.83 3bkf s LYS 102 Cb -0.08 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3bkf s LYS 102 CO 0.17 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.95 3bkf n GLY 103 N 3.08 0.56 3.70 0.59 0.00 -0.78 -4.63 105.19 107.70 3bkf n GLY 103 Ca -0.15 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3bkf n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bkf s ASP 104 N -4.00 6.73 0.59 1.61 -1.08 -1.26 -2.25 116.67 117.00 3bkf s ASP 104 Ca 0.00 2.35 0.29 0.00 -0.52 0.00 0.00 52.55 54.66 3bkf s ASP 104 Cb 0.00 -2.57 1.59 0.00 -1.46 0.00 0.00 42.92 40.48 3bkf s ASP 104 CO 0.00 -0.78 2.03 0.24 0.52 0.00 0.00 175.17 177.18 3bkf h MET 105 N 7.66 0.00 -0.22 4.34 2.86 0.80 0.11 114.93 130.49 3bkf h MET 105 Ca -0.41 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.07 3bkf h MET 105 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3bkf h MET 105 CO 0.91 0.00 -0.49 0.78 1.06 0.00 0.00 176.91 179.16 3bkf h GLY 106 N 0.00 0.79 1.75 8.32 0.00 -1.90 -1.12 103.07 110.90 3bkf h GLY 106 Ca 0.13 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 46.39 3bkf h GLY 106 CO -0.00 0.86 -0.41 -0.55 0.00 0.00 0.00 176.54 176.43 3bkf h ASP 107 N 0.43 0.29 -0.24 0.19 3.32 -1.24 -2.17 116.42 117.00 3bkf h ASP 107 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3bkf h ASP 107 Cb 1.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3bkf h ASP 107 CO 0.11 0.68 0.06 0.58 -1.72 0.00 0.00 179.24 178.94 3bkf h VAL 108 N 0.23 1.21 -0.90 -1.35 2.07 -0.88 -1.15 116.25 115.50 3bkf h VAL 108 Ca 0.02 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3bkf h VAL 108 Cb 0.83 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3bkf h VAL 108 CO 0.07 0.22 0.50 -0.61 0.02 0.00 0.00 177.57 177.77 3bkf h GLN 109 N 0.21 1.24 -0.25 1.57 5.75 -1.03 -1.61 115.11 121.00 3bkf h GLN 109 Ca 0.08 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.36 3bkf h GLN 109 Cb 0.29 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3bkf h GLN 109 CO 0.00 0.90 -0.19 0.45 -2.65 0.00 0.00 178.83 177.34 3bkf h HIS 110 N 1.25 0.48 -0.03 3.99 3.86 -1.21 0.96 115.15 124.45 3bkf h HIS 110 Ca 0.32 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3bkf h HIS 110 Cb 0.01 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 3bkf h HIS 110 CO 0.01 0.61 0.00 0.35 0.86 0.00 0.00 177.93 179.77 3bkf h PHE 111 N 0.40 0.06 -0.98 2.45 3.04 -0.63 -1.94 116.94 119.33 3bkf h PHE 111 Ca 0.07 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.04 3bkf h PHE 111 Cb 0.57 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.01 3bkf h PHE 111 CO 0.02 0.30 0.64 0.00 -2.02 0.00 0.00 178.31 177.25 3bkf h ALA 112 N 0.75 1.34 -0.30 2.41 0.00 -0.98 -1.96 119.26 120.52 3bkf h ALA 112 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3bkf h ALA 112 Cb 0.27 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3bkf h ALA 112 CO 0.00 0.58 0.03 -0.44 0.00 0.00 0.00 179.25 179.42 3bkf h ASP 113 N 1.27 -0.05 -0.83 0.00 3.45 -0.58 -0.50 116.42 119.18 3bkf h ASP 113 Ca 0.38 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.86 3bkf h ASP 113 Cb -0.05 0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.77 3bkf h ASP 113 CO -0.10 0.01 0.39 0.44 -1.57 0.00 0.00 179.24 178.41 3bkf h ASP 114 N 0.13 1.09 -0.12 6.45 3.32 -0.70 -2.11 116.42 124.48 3bkf h ASP 114 Ca 0.14 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3bkf h ASP 114 Cb 0.17 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3bkf h ASP 114 CO -0.21 0.92 0.01 0.58 -1.72 0.00 0.00 179.24 178.82 3bkf h VAL 115 N 1.18 1.23 0.00 -1.35 2.07 -0.93 -3.07 116.25 115.38 3bkf h VAL 115 Ca 0.28 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3bkf h VAL 115 Cb 0.12 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3bkf h VAL 115 CO -0.04 0.21 -0.09 0.40 0.02 0.00 0.00 177.57 178.08 3bkf h ILE 116 N -0.05 0.32 0.00 4.57 5.03 -1.00 -2.26 117.51 124.12 3bkf h ILE 116 Ca 0.03 -0.56 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 3bkf h ILE 116 Cb 0.32 1.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.53 3bkf h ILE 116 CO 0.00 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.56 3bkf n ALA 117 N -2.19 1.92 -2.14 1.87 0.00 -0.80 -4.80 120.51 114.37 3bkf n ALA 117 Ca -0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 3bkf n ALA 117 Cb 0.27 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 3bkf n ALA 117 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bkf s GLN 118 N -3.09 4.73 0.54 0.00 -1.52 -0.85 -5.02 119.66 114.44 3bkf s GLN 118 Ca 0.09 1.47 -0.22 0.00 -1.95 0.00 0.00 55.36 54.75 3bkf s GLN 118 Cb 0.12 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 29.51 3bkf s GLN 118 CO 0.41 0.28 1.29 1.03 -0.25 0.00 0.00 175.29 178.05 3bkf s ARG 119 N -0.30 3.24 0.00 2.91 0.52 -1.26 -2.30 118.95 121.77 3bkf s ARG 119 Ca 0.46 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 3bkf s ARG 119 Cb -0.24 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 32.99 3bkf s ARG 119 CO 0.31 -1.06 0.00 0.41 0.02 0.00 0.00 175.30 174.98 3bkf n GLY 120 N 0.64 2.87 3.65 -3.53 0.00 -1.26 -4.88 105.19 102.68 3bkf n GLY 120 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3bkf n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bkf s VAL 121 N -2.03 5.03 0.14 1.61 1.01 -0.97 0.92 120.40 126.10 3bkf s VAL 121 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3bkf s VAL 121 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3bkf s VAL 121 CO 0.00 0.10 -0.10 -0.13 0.00 0.00 0.00 175.10 174.97 3bkf s ARG 122 N 2.04 1.02 -1.46 2.72 0.52 0.09 -4.85 118.95 119.03 3bkf s ARG 122 Ca 0.26 -1.39 -0.09 0.00 -0.52 0.00 0.00 55.73 54.00 3bkf s ARG 122 Cb -0.16 -0.62 0.03 0.00 0.52 0.00 0.00 34.95 34.73 3bkf s ARG 122 CO 0.10 0.08 0.84 0.72 0.02 0.00 0.00 175.30 177.06 3bkf n HIS 123 N -0.04 -2.29 -2.14 -0.53 8.25 -1.26 -0.73 115.22 116.47 3bkf n HIS 123 Ca -0.11 0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 57.67 3bkf n HIS 123 Cb 0.60 -4.34 -0.03 0.00 1.12 0.00 0.00 29.99 27.34 3bkf n HIS 123 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3bkf s GLY 124 N -3.01 2.25 -0.01 -1.41 0.00 -1.26 -4.39 107.32 99.49 3bkf s GLY 124 Ca 0.48 1.17 0.00 0.00 0.00 0.00 0.00 44.72 46.37 3bkf s GLY 124 CO 0.59 2.22 0.01 -1.58 0.00 0.00 0.00 173.10 174.34 3bkf s HIS 125 N 0.40 0.04 -0.20 1.90 2.46 0.62 -4.99 115.29 115.52 3bkf s HIS 125 Ca 0.60 0.06 0.00 0.00 0.47 0.00 0.00 55.06 56.19 3bkf s HIS 125 Cb -0.38 -0.15 0.02 0.00 -0.13 0.00 0.00 32.58 31.94 3bkf s HIS 125 CO 0.37 -0.05 -0.15 -1.17 -2.47 0.00 0.00 174.74 171.26 3bkf s LEU 126 N 0.59 2.45 -0.32 8.88 2.96 -1.26 -0.72 118.68 131.26 3bkf s LEU 126 Ca -0.05 -0.68 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 3bkf s LEU 126 Cb -0.07 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.08 3bkf s LEU 126 CO -0.02 -0.03 0.14 -1.58 -1.32 0.00 0.00 176.35 173.55 3bkf s GLN 127 N 1.31 3.14 0.12 1.98 0.74 0.68 -4.96 119.66 122.68 3bkf s GLN 127 Ca 0.04 -0.84 -0.14 0.00 0.05 0.00 0.00 55.36 54.46 3bkf s GLN 127 Cb -0.14 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.36 3bkf s GLN 127 CO -0.10 -0.49 0.52 0.00 -0.55 0.00 0.00 175.29 174.67 3bkf n LEU 129 N 0.95 0.73 -4.76 0.00 4.77 0.13 -4.96 117.00 113.86 3bkf n LEU 129 Ca -0.07 -4.67 -0.39 0.00 -0.03 0.00 0.00 56.01 50.86 3bkf n LEU 129 Cb 0.52 0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3bkf n LEU 129 CO 0.42 1.83 0.97 -2.16 -1.33 0.00 0.00 177.39 177.12 3bkf s PRO 130 N -0.49 3.67 0.00 3.23 0.04 -1.26 -1.53 135.00 138.66 3bkf s PRO 130 Ca 0.30 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3bkf s PRO 130 Cb 0.02 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3bkf s PRO 130 CO -0.19 -0.75 0.37 0.36 0.04 0.00 0.00 177.00 176.83