#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsd n ASN 5 N 0.00 0.78 -4.96 4.38 6.94 -1.26 -4.75 115.26 116.38 1bsd n ASN 5 Ca 0.00 -2.36 -0.22 0.00 -0.02 0.00 0.00 54.58 51.99 1bsd n ASN 5 Cb 0.00 -0.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.12 1bsd n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bsd s THR 6 N -0.83 5.23 0.09 5.53 -4.23 -1.26 0.23 115.64 120.40 1bsd s THR 6 Ca 0.15 -0.87 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1bsd s THR 6 Cb 0.14 -3.86 -0.14 0.00 1.34 0.00 0.00 72.50 69.98 1bsd s THR 6 CO -0.02 -0.37 1.71 -0.26 -0.54 0.00 0.00 174.62 175.13 1bsd h PHE 7 N 1.10 -0.20 -0.04 3.99 0.04 -1.97 0.36 116.94 120.22 1bsd h PHE 7 Ca -0.51 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.25 1bsd h PHE 7 Cb 1.23 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 1bsd h PHE 7 CO 0.46 -0.12 0.01 -0.44 -0.60 0.00 0.00 178.31 177.62 1bsd h ASP 8 N -0.19 0.06 -0.67 2.17 3.32 -1.98 0.95 116.42 120.08 1bsd h ASP 8 Ca -0.01 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.87 1bsd h ASP 8 Cb 0.16 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1bsd h ASP 8 CO 0.00 0.25 0.41 1.23 -1.72 0.00 0.00 179.24 179.42 1bsd h GLY 9 N -0.14 0.96 0.62 2.75 0.00 -1.95 0.40 103.07 105.72 1bsd h GLY 9 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1bsd h GLY 9 CO -0.00 0.26 -0.32 -2.08 0.00 0.00 0.00 176.54 174.40 1bsd h VAL 10 N 0.81 1.46 -0.01 4.60 2.07 -0.21 -2.65 116.25 122.32 1bsd h VAL 10 Ca 0.27 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 66.01 1bsd h VAL 10 Cb 0.03 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1bsd h VAL 10 CO -0.11 0.51 -0.27 0.00 0.02 0.00 0.00 177.57 177.72 1bsd h ALA 11 N 0.37 -0.37 -0.91 1.67 0.00 -0.63 0.21 119.26 119.60 1bsd h ALA 11 Ca -0.03 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1bsd h ALA 11 Cb 1.00 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1bsd h ALA 11 CO 0.06 -0.77 0.58 -0.44 0.00 0.00 0.00 179.25 178.68 1bsd h ASP 12 N -0.41 0.75 -0.29 0.00 3.32 -0.23 -2.67 116.42 116.89 1bsd h ASP 12 Ca 0.06 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1bsd h ASP 12 Cb 0.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1bsd h ASP 12 CO -0.24 0.41 -0.08 0.22 -1.72 0.00 0.00 179.24 177.83 1bsd h TYR 13 N 0.81 0.62 -1.00 4.55 3.20 -0.98 -1.24 116.97 122.95 1bsd h TYR 13 Ca 0.44 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 62.20 1bsd h TYR 13 Cb 0.56 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1bsd h TYR 13 CO -0.00 0.76 0.66 -0.07 -1.64 0.00 0.00 178.16 177.86 1bsd h LEU 14 N 0.31 1.11 0.00 2.82 3.38 -0.64 0.28 115.31 122.57 1bsd h LEU 14 Ca 0.07 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 1bsd h LEU 14 Cb 0.56 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1bsd h LEU 14 CO 0.03 0.78 -1.57 1.56 0.09 0.00 0.00 178.44 179.33 1bsd h GLN 15 N 1.30 0.00 -0.00 1.13 4.20 -1.55 1.20 115.11 121.39 1bsd h GLN 15 Ca 0.38 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.09 1bsd h GLN 15 Cb -0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1bsd h GLN 15 CO -0.10 0.57 -0.00 1.15 -0.67 0.00 0.00 178.83 179.77 1bsd h THR 16 N 0.00 1.37 0.00 -0.54 2.02 -1.00 -3.36 112.91 111.40 1bsd h THR 16 Ca -0.23 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1bsd h THR 16 Cb 1.95 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 70.47 1bsd h THR 16 CO 0.09 0.29 -1.13 -1.22 0.37 0.00 0.00 175.52 173.91 1bsd n TYR 17 N -4.86 0.11 -2.23 3.16 4.01 0.96 -4.98 117.16 113.34 1bsd n TYR 17 Ca -0.08 0.03 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 1bsd n TYR 17 Cb 0.24 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1bsd n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bsd n HIS 18 N -1.82 -0.75 -3.48 -0.72 8.25 0.41 -4.95 115.22 112.16 1bsd n HIS 18 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1bsd n HIS 18 Cb 0.41 -3.58 -0.03 0.00 1.12 0.00 0.00 29.99 27.91 1bsd n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bsd s LYS 19 N -4.73 1.24 0.54 -0.41 -2.85 -1.20 -5.02 119.74 107.30 1bsd s LYS 19 Ca 0.00 -0.54 -0.17 0.00 -1.00 0.00 0.00 55.97 54.25 1bsd s LYS 19 Cb 0.00 0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 36.26 1bsd s LYS 19 CO 0.00 -0.53 1.02 -0.51 0.10 0.00 0.00 175.35 175.43 1bsd s LEU 20 N -2.77 3.63 0.79 2.77 1.43 -1.26 -3.78 118.68 119.49 1bsd s LEU 20 Ca 0.02 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1bsd s LEU 20 Cb -0.00 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.75 1bsd s LEU 20 CO -0.12 -0.85 1.09 -2.84 0.23 0.00 0.00 176.35 173.86 1bsd s PRO 21 N -3.86 2.19 0.51 1.29 0.02 -1.26 -4.94 135.00 128.95 1bsd s PRO 21 Ca 0.63 0.78 0.35 0.00 0.02 0.00 0.00 61.00 62.78 1bsd s PRO 21 Cb -0.14 -1.92 1.50 0.00 0.02 0.00 0.00 34.50 33.97 1bsd s PRO 21 CO 0.30 -1.59 1.74 0.38 -0.33 0.00 0.00 177.00 177.51 1bsd h ASP 22 N -1.07 0.10 0.00 2.53 -0.00 -1.96 -2.65 116.42 113.37 1bsd h ASP 22 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.60 1bsd h ASP 22 Cb 1.25 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 1bsd h ASP 22 CO 0.57 -0.01 0.00 -0.46 -0.00 0.00 0.00 179.24 179.35 1bsd n ASN 23 N -4.27 0.00 -4.83 4.15 6.94 -1.26 -4.85 115.26 111.14 1bsd n ASN 23 Ca 0.30 -1.12 -0.29 0.00 -0.02 0.00 0.00 54.58 53.46 1bsd n ASN 23 Cb 1.34 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.71 1bsd n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bsd s TYR 24 N -2.00 3.28 -0.00 -2.53 2.02 -1.00 -1.89 117.35 115.23 1bsd s TYR 24 Ca 0.15 0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.80 1bsd s TYR 24 Cb 0.07 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1bsd s TYR 24 CO 0.12 0.53 0.28 0.96 -1.57 0.00 0.00 175.55 175.87 1bsd s ILE 25 N -1.58 0.07 0.64 2.71 -4.36 -0.17 -4.87 121.20 113.64 1bsd s ILE 25 Ca 0.32 -0.56 -0.13 0.00 -0.26 0.00 0.00 60.65 60.02 1bsd s ILE 25 Cb -0.11 -0.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 1bsd s ILE 25 CO 0.24 -0.31 1.05 0.42 0.24 0.00 0.00 174.94 176.59 1bsd s THR 26 N -1.59 4.00 0.23 8.37 -4.23 -1.17 -0.06 115.64 121.19 1bsd s THR 26 Ca -0.12 0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 61.09 1bsd s THR 26 Cb -0.05 -3.42 0.22 0.00 1.34 0.00 0.00 72.50 70.59 1bsd s THR 26 CO 0.02 -0.73 1.67 0.11 -0.54 0.00 0.00 174.62 175.16 1bsd h LYS 27 N -0.18 0.18 -0.14 3.99 1.57 -1.96 -0.13 116.57 119.89 1bsd h LYS 27 Ca -0.45 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.18 1bsd h LYS 27 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1bsd h LYS 27 CO 0.57 0.12 -0.50 0.66 -0.57 0.00 0.00 179.45 179.73 1bsd h SER 28 N 0.18 0.42 -0.56 0.86 4.64 -1.99 0.13 113.55 117.23 1bsd h SER 28 Ca 0.38 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1bsd h SER 28 Cb 0.63 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1bsd h SER 28 CO -0.54 0.85 0.01 -0.33 -0.87 0.00 0.00 176.83 175.96 1bsd h GLU 29 N 0.30 0.98 -0.41 4.77 5.08 -1.72 -2.17 114.58 121.41 1bsd h GLU 29 Ca 0.01 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 1bsd h GLU 29 Cb 0.99 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1bsd h GLU 29 CO 0.09 0.98 -0.12 0.00 -1.00 0.00 0.00 179.01 178.96 1bsd h ALA 30 N 0.97 1.03 -0.51 3.43 0.00 -0.84 -2.82 119.26 120.53 1bsd h ALA 30 Ca 0.16 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1bsd h ALA 30 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1bsd h ALA 30 CO 0.03 0.59 -0.08 1.96 0.00 0.00 0.00 179.25 181.75 1bsd h GLN 31 N 0.66 0.95 -0.18 0.00 4.20 -0.70 -1.21 115.11 118.84 1bsd h GLN 31 Ca 0.11 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.53 1bsd h GLN 31 Cb 0.58 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1bsd h GLN 31 CO 0.04 1.01 0.16 0.00 -0.67 0.00 0.00 178.83 179.36 1bsd h ALA 32 N 0.91 1.97 -0.00 3.87 0.00 -1.16 -1.04 119.26 123.81 1bsd h ALA 32 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bsd h ALA 32 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bsd h ALA 32 CO 0.04 -0.25 -0.18 1.28 0.00 0.00 0.00 179.25 180.15 1bsd n LEU 33 N -4.13 0.43 0.00 0.00 4.77 -1.05 -4.94 117.00 112.07 1bsd n LEU 33 Ca 0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1bsd n LEU 33 Cb 0.29 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1bsd n LEU 33 CO 0.31 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1bsd n GLY 34 N 1.37 0.93 3.69 -0.72 0.00 -0.39 -4.88 105.19 105.19 1bsd n GLY 34 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1bsd n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bsd s TRP 35 N -2.00 2.47 -0.29 1.61 -0.00 -0.48 -4.98 118.94 115.27 1bsd s TRP 35 Ca 0.00 0.34 0.02 0.00 -0.00 0.00 0.00 56.10 56.46 1bsd s TRP 35 Cb 0.00 -3.96 0.07 0.00 -0.00 0.00 0.00 33.47 29.57 1bsd s TRP 35 CO 0.00 -3.84 -0.04 0.08 -0.00 0.00 0.00 176.95 173.14 1bsd s VAL 36 N 2.51 2.40 0.27 5.86 1.01 -1.26 -4.58 120.40 126.60 1bsd s VAL 36 Ca 0.74 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1bsd s VAL 36 Cb -0.40 -2.49 0.26 0.00 0.00 0.00 0.00 36.38 33.75 1bsd s VAL 36 CO 0.32 -0.19 1.77 0.00 0.00 0.00 0.00 175.10 177.00 1bsd h ALA 37 N 7.79 1.37 0.00 5.51 0.00 -2.00 -2.56 119.26 129.38 1bsd h ALA 37 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bsd h ALA 37 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bsd h ALA 37 CO 0.50 -0.07 0.00 0.77 0.00 0.00 0.00 179.25 180.44 1bsd h SER 38 N 0.66 0.00 -0.08 0.00 0.02 -2.03 -2.99 113.55 109.14 1bsd h SER 38 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1bsd h SER 38 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1bsd h SER 38 CO -0.37 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.61 1bsd n LYS 39 N -2.73 1.43 -4.12 3.45 4.01 -0.97 -5.00 118.16 114.24 1bsd n LYS 39 Ca -0.02 -1.56 -0.34 0.00 -0.51 0.00 0.00 58.31 55.87 1bsd n LYS 39 Cb 0.06 -1.32 -0.01 0.00 -0.51 0.00 0.00 35.03 33.25 1bsd n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bsd n GLY 40 N 0.92 -0.46 1.02 0.72 0.00 -1.13 -4.91 105.19 101.36 1bsd n GLY 40 Ca 0.10 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1bsd n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsd n ASN 41 N -2.72 2.97 -0.33 1.61 6.94 -1.26 -3.63 115.26 118.83 1bsd n ASN 41 Ca 0.05 -1.98 0.23 0.00 -0.02 0.00 0.00 54.58 52.87 1bsd n ASN 41 Cb 0.51 -0.35 0.50 0.00 -2.36 0.00 0.00 39.78 38.08 1bsd n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bsd h LEU 42 N 3.34 0.46 -0.47 -4.53 5.85 -1.88 0.82 115.31 118.90 1bsd h LEU 42 Ca 0.00 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1bsd h LEU 42 Cb 0.76 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1bsd h LEU 42 CO 0.00 0.07 0.08 0.00 -0.34 0.00 0.00 178.44 178.24 1bsd h ALA 43 N 1.64 0.62 -0.54 1.25 0.00 -1.83 1.04 119.26 121.43 1bsd h ALA 43 Ca 0.62 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1bsd h ALA 43 Cb 1.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1bsd h ALA 43 CO -0.33 0.35 0.15 -0.44 0.00 0.00 0.00 179.25 178.98 1bsd h ASP 44 N 0.65 0.81 0.60 0.00 3.32 -1.18 -3.01 116.42 117.60 1bsd h ASP 44 Ca 0.14 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1bsd h ASP 44 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1bsd h ASP 44 CO 0.01 0.82 -1.44 1.33 -1.72 0.00 0.00 179.24 178.24 1bsd n VAL 45 N -4.43 0.56 -3.05 -1.35 0.24 -1.09 -4.62 118.33 104.57 1bsd n VAL 45 Ca 0.02 -0.57 -0.18 0.00 -2.04 0.00 0.00 64.34 61.57 1bsd n VAL 45 Cb 0.22 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.25 1bsd n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsd n ALA 46 N -2.26 0.90 -1.71 2.33 0.00 0.36 -4.95 120.51 115.17 1bsd n ALA 46 Ca -0.04 -2.50 -0.43 0.00 0.00 0.00 0.00 53.44 50.47 1bsd n ALA 46 Cb 0.63 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1bsd n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bsd n PRO 47 N 1.91 2.27 -0.06 0.00 -0.02 -1.14 -2.07 135.00 135.89 1bsd n PRO 47 Ca 0.19 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1bsd n PRO 47 Cb 0.55 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1bsd n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bsd n GLY 48 N 1.47 2.60 3.89 -1.23 0.00 -1.26 -5.00 105.19 105.66 1bsd n GLY 48 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1bsd n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsd s LYS 49 N -0.10 3.24 0.13 1.61 -0.14 -0.88 -4.81 119.74 118.79 1bsd s LYS 49 Ca 0.00 -0.71 0.07 0.00 -1.36 0.00 0.00 55.97 53.97 1bsd s LYS 49 Cb 0.00 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 1bsd s LYS 49 CO 0.00 0.50 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.80 1bsd s SER 50 N -3.23 2.32 0.19 2.83 0.01 -0.79 -4.79 113.70 110.24 1bsd s SER 50 Ca 0.33 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1bsd s SER 50 Cb -0.11 -0.11 -0.08 0.00 0.21 0.00 0.00 66.02 65.93 1bsd s SER 50 CO 0.27 -0.05 1.07 -0.63 0.41 0.00 0.00 173.24 174.30 1bsd s ILE 51 N -1.79 3.92 -0.26 1.44 -1.09 -1.26 -1.00 121.20 121.16 1bsd s ILE 51 Ca 0.09 1.71 -0.32 0.00 -2.23 0.00 0.00 60.65 59.90 1bsd s ILE 51 Cb -0.07 -4.09 0.17 0.00 -1.58 0.00 0.00 42.46 36.89 1bsd s ILE 51 CO 0.04 0.32 1.31 -0.83 -1.23 0.00 0.00 174.94 174.55 1bsd s GLY 52 N -0.31 -0.08 0.00 6.18 0.00 0.91 -0.73 107.32 113.30 1bsd s GLY 52 Ca 0.48 2.33 0.00 0.00 0.00 0.00 0.00 44.72 47.52 1bsd s GLY 52 CO 0.35 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.94 1bsd n GLY 53 N 0.30 0.64 3.81 0.20 0.00 0.29 -3.07 105.19 107.37 1bsd n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1bsd n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsd s ASP 54 N -2.26 6.98 0.38 1.61 1.01 -1.24 -4.77 116.67 118.38 1bsd s ASP 54 Ca 0.00 1.73 -0.27 0.00 0.71 0.00 0.00 52.55 54.72 1bsd s ASP 54 Cb 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1bsd s ASP 54 CO 0.00 -0.33 1.28 -0.63 0.21 0.00 0.00 175.17 175.70 1bsd s ILE 55 N -2.07 2.72 -0.23 0.77 -1.09 -1.26 -1.67 121.20 118.36 1bsd s ILE 55 Ca 0.60 0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 59.64 1bsd s ILE 55 Cb -0.11 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1bsd s ILE 55 CO 0.15 0.11 -0.01 0.12 -1.23 0.00 0.00 174.94 174.09 1bsd s PHE 56 N -1.25 3.00 0.25 3.97 5.36 0.26 -4.82 117.98 124.76 1bsd s PHE 56 Ca 0.55 -0.82 -0.02 0.00 -0.96 0.00 0.00 56.93 55.68 1bsd s PHE 56 Cb -0.37 -2.15 0.31 0.00 -0.34 0.00 0.00 43.02 40.47 1bsd s PHE 56 CO 0.48 -0.50 1.72 0.77 -1.46 0.00 0.00 175.22 176.23 1bsd h SER 57 N 8.15 0.72 -4.89 6.13 0.02 -1.94 -3.38 113.55 118.36 1bsd h SER 57 Ca -0.40 -0.20 -0.31 0.00 -0.84 0.00 0.00 61.79 60.04 1bsd h SER 57 Cb 1.16 -0.19 0.12 0.00 0.14 0.00 0.00 62.40 63.63 1bsd h SER 57 CO 0.60 0.85 -0.56 -3.20 -1.14 0.00 0.00 176.83 173.37 1bsd n ASN 58 N -4.17 -4.69 -0.24 3.07 5.15 -1.26 -4.89 115.26 108.22 1bsd n ASN 58 Ca 0.01 -0.45 -0.08 0.00 -0.60 0.00 0.00 54.58 53.47 1bsd n ASN 58 Cb 0.35 -4.15 0.04 0.00 -0.53 0.00 0.00 39.78 35.49 1bsd n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bsd h ARG 59 N -2.02 1.11 -0.02 1.20 -0.00 -2.00 -2.50 114.38 110.15 1bsd h ARG 59 Ca -0.46 -0.30 0.00 0.00 -0.00 0.00 0.00 59.98 59.22 1bsd h ARG 59 Cb 1.29 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 1bsd h ARG 59 CO 0.44 1.01 0.00 -0.85 -0.00 0.00 0.00 179.97 180.57 1bsd n GLU 60 N -4.22 1.09 -1.60 0.08 0.28 -1.26 -4.91 120.64 110.10 1bsd n GLU 60 Ca 0.04 -0.14 -0.19 0.00 -0.16 0.00 0.00 57.16 56.72 1bsd n GLU 60 Cb 0.29 -1.27 -0.07 0.00 1.43 0.00 0.00 31.44 31.81 1bsd n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bsd n GLY 61 N 0.80 1.60 0.18 -1.84 0.00 -0.94 -4.87 105.19 100.12 1bsd n GLY 61 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1bsd n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bsd h LYS 62 N 0.00 0.00 -6.06 1.61 1.57 -1.91 -3.44 116.57 108.35 1bsd h LYS 62 Ca -0.38 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.75 1bsd h LYS 62 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.43 1bsd h LYS 62 CO 0.55 0.40 -0.58 -0.51 -0.57 0.00 0.00 179.45 178.74 1bsd s LEU 63 N -7.64 3.89 -0.20 2.94 1.43 -1.26 -4.96 118.68 112.89 1bsd s LEU 63 Ca -0.02 0.10 -0.34 0.00 -1.03 0.00 0.00 54.13 52.84 1bsd s LEU 63 Cb 0.13 -2.39 -0.11 0.00 0.03 0.00 0.00 46.19 43.85 1bsd s LEU 63 CO 0.71 0.23 2.00 -0.81 0.23 0.00 0.00 176.35 178.71 1bsd n PRO 64 N 0.87 1.76 -2.79 1.29 -0.04 -1.26 -4.97 135.00 129.86 1bsd n PRO 64 Ca -0.11 0.59 -0.27 0.00 -0.04 0.00 0.00 63.50 63.68 1bsd n PRO 64 Cb 0.52 -2.63 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1bsd n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bsd s GLY 65 N 5.52 1.48 -0.15 0.55 0.00 -1.26 -5.09 107.32 108.38 1bsd s GLY 65 Ca 0.99 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.83 1bsd s GLY 65 CO 0.50 -0.43 0.94 1.25 0.00 0.00 0.00 173.10 175.36 1bsd s LYS 66 N -4.63 0.67 0.13 2.90 2.20 -1.26 -5.08 119.74 114.67 1bsd s LYS 66 Ca 0.46 0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.94 1bsd s LYS 66 Cb -0.10 0.32 -0.08 0.00 -1.51 0.00 0.00 37.83 36.45 1bsd s LYS 66 CO 0.43 -0.21 1.41 0.45 -0.36 0.00 0.00 175.35 177.07 1bsd s SER 67 N -1.08 6.79 -0.37 1.43 0.15 -1.26 -2.67 113.70 116.69 1bsd s SER 67 Ca -0.03 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1bsd s SER 67 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1bsd s SER 67 CO 0.03 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1bsd n GLY 68 N 3.41 0.61 3.44 9.45 0.00 -1.26 -5.03 105.19 115.81 1bsd n GLY 68 Ca 0.11 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1bsd n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bsd s ARG 69 N -2.51 3.59 0.12 1.61 3.52 -1.09 -4.90 118.95 119.28 1bsd s ARG 69 Ca 0.00 -0.54 0.10 0.00 -0.13 0.00 0.00 55.73 55.15 1bsd s ARG 69 Cb 0.00 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1bsd s ARG 69 CO 0.00 0.07 -0.24 0.95 -0.81 0.00 0.00 175.30 175.27 1bsd s THR 70 N 0.82 1.99 -0.14 4.11 -4.23 -1.26 -4.72 115.64 112.21 1bsd s THR 70 Ca -0.00 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 1bsd s THR 70 Cb -0.14 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1bsd s THR 70 CO 0.02 -0.01 0.07 0.26 -0.54 0.00 0.00 174.62 174.42 1bsd s TRP 71 N -1.19 3.34 0.14 3.99 0.52 -1.26 -0.27 118.94 124.21 1bsd s TRP 71 Ca 0.11 0.25 0.08 0.00 0.02 0.00 0.00 56.10 56.56 1bsd s TRP 71 Cb -0.10 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 1bsd s TRP 71 CO 0.05 0.40 -0.19 1.03 0.02 0.00 0.00 176.95 178.26 1bsd s ARG 72 N -0.31 1.21 0.33 4.98 0.52 0.13 0.93 118.95 126.74 1bsd s ARG 72 Ca 0.09 -1.30 0.10 0.00 -0.52 0.00 0.00 55.73 54.09 1bsd s ARG 72 Cb -0.12 -1.35 -0.06 0.00 0.52 0.00 0.00 34.95 33.94 1bsd s ARG 72 CO 0.01 0.29 -0.07 -1.83 0.02 0.00 0.00 175.30 173.73 1bsd s GLU 73 N -2.42 1.91 -0.22 3.54 -1.05 -0.67 -1.59 118.70 118.19 1bsd s GLU 73 Ca 0.12 -1.83 -0.17 0.00 -0.15 0.00 0.00 54.97 52.94 1bsd s GLU 73 Cb -0.07 -1.81 0.06 0.00 -0.44 0.00 0.00 34.13 31.87 1bsd s GLU 73 CO 0.06 0.17 0.56 0.00 0.95 0.00 0.00 175.26 177.00 1bsd s ALA 74 N -2.55 -1.44 0.34 -0.84 0.00 -0.72 -0.55 121.76 116.00 1bsd s ALA 74 Ca 0.33 1.76 -0.28 0.00 0.00 0.00 0.00 51.96 53.77 1bsd s ALA 74 Cb 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 23.12 21.99 1bsd s ALA 74 CO 0.17 -0.29 1.22 -0.51 0.00 0.00 0.00 175.76 176.35 1bsd s ASP 75 N 0.78 6.82 0.02 0.00 1.11 0.10 -1.41 116.67 124.09 1bsd s ASP 75 Ca -0.04 2.50 0.08 0.00 0.18 0.00 0.00 52.55 55.27 1bsd s ASP 75 Cb -0.05 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.28 1bsd s ASP 75 CO -0.06 -0.48 -0.23 -0.63 1.18 0.00 0.00 175.17 174.95 1bsd s ILE 76 N -1.22 1.87 -1.52 0.77 -1.09 0.26 -4.72 121.20 115.56 1bsd s ILE 76 Ca 0.50 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1bsd s ILE 76 Cb -0.35 -1.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 1bsd s ILE 76 CO 0.46 0.38 0.00 0.59 -1.23 0.00 0.00 174.94 175.14 1bsd n ASN 77 N 2.10 -4.81 -4.80 3.58 3.02 0.14 -4.52 115.26 109.97 1bsd n ASN 77 Ca -0.16 0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 54.35 1bsd n ASN 77 Cb 0.52 -3.56 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 1bsd n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsd s TYR 78 N -2.50 3.85 0.00 3.10 5.04 -1.26 -4.98 117.35 120.60 1bsd s TYR 78 Ca 0.00 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1bsd s TYR 78 Cb 0.00 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.70 1bsd s TYR 78 CO 0.00 0.56 0.00 0.25 -1.34 0.00 0.00 175.55 175.02 1bsd n THR 79 N 1.65 0.00 -3.83 4.34 -2.24 -1.26 -4.89 114.28 108.05 1bsd n THR 79 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1bsd n THR 79 Cb 0.50 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1bsd n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bsd s SER 80 N -4.31 -0.11 0.17 3.42 1.04 -1.26 -4.82 113.70 107.83 1bsd s SER 80 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1bsd s SER 80 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1bsd s SER 80 CO 0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1bsd n GLY 81 N -0.52 -0.90 3.78 7.32 0.00 -1.24 -4.84 105.19 108.78 1bsd n GLY 81 Ca -0.06 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 1bsd n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bsd s PHE 82 N 0.00 2.70 0.28 1.61 0.40 -1.26 -4.55 117.98 117.16 1bsd s PHE 82 Ca 0.00 1.54 -0.29 0.00 -0.60 0.00 0.00 56.93 57.58 1bsd s PHE 82 Cb 0.00 -3.13 -0.09 0.00 0.51 0.00 0.00 43.02 40.31 1bsd s PHE 82 CO 0.00 -1.57 1.18 1.03 0.70 0.00 0.00 175.22 176.56 1bsd s ARG 83 N -4.12 4.53 0.06 0.44 0.52 -1.26 -4.99 118.95 114.14 1bsd s ARG 83 Ca 0.66 1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 57.80 1bsd s ARG 83 Cb -0.19 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.12 1bsd s ARG 83 CO 0.41 0.04 0.08 0.27 0.02 0.00 0.00 175.30 176.13 1bsd n ASN 84 N 1.35 0.05 -1.19 0.23 0.23 -1.26 -5.04 115.26 109.62 1bsd n ASN 84 Ca 0.00 -1.05 0.11 0.00 -0.53 0.00 0.00 54.58 53.11 1bsd n ASN 84 Cb 0.44 -0.06 0.25 0.00 -2.08 0.00 0.00 39.78 38.32 1bsd n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bsd n SER 85 N -3.03 3.60 -4.71 0.53 3.41 -1.26 -4.96 113.62 107.19 1bsd n SER 85 Ca 0.01 -1.99 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 1bsd n SER 85 Cb 0.04 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 1bsd n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bsd s ASP 86 N -1.29 5.96 -0.02 4.04 1.01 -1.26 -2.17 116.67 122.94 1bsd s ASP 86 Ca 0.41 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.79 1bsd s ASP 86 Cb 0.23 -2.00 0.01 0.00 1.01 0.00 0.00 42.92 42.17 1bsd s ASP 86 CO 0.31 0.23 0.20 -0.13 0.21 0.00 0.00 175.17 175.99 1bsd s ARG 87 N 0.06 0.48 0.02 8.23 1.81 -1.07 -0.58 118.95 127.90 1bsd s ARG 87 Ca 0.08 -0.18 0.03 0.00 -1.72 0.00 0.00 55.73 53.94 1bsd s ARG 87 Cb -0.12 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 1bsd s ARG 87 CO 0.00 -0.11 -0.05 -1.50 -0.68 0.00 0.00 175.30 172.95 1bsd s ILE 88 N -1.02 3.74 -0.11 1.52 2.07 -0.50 -2.29 121.20 124.61 1bsd s ILE 88 Ca -0.11 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.32 1bsd s ILE 88 Cb -0.06 -2.66 0.02 0.00 0.13 0.00 0.00 42.46 39.89 1bsd s ILE 88 CO 0.02 0.34 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.53 1bsd s LEU 89 N -1.60 1.35 0.06 8.50 2.01 -0.61 -1.75 118.68 126.63 1bsd s LEU 89 Ca 0.19 -0.33 0.06 0.00 0.01 0.00 0.00 54.13 54.05 1bsd s LEU 89 Cb -0.11 -0.89 -0.03 0.00 0.01 0.00 0.00 46.19 45.17 1bsd s LEU 89 CO 0.10 -0.08 -0.16 -0.72 1.01 0.00 0.00 176.35 176.49 1bsd s TYR 90 N 1.48 1.40 0.42 0.29 1.13 -0.62 -0.09 117.35 121.35 1bsd s TYR 90 Ca 0.01 -0.39 0.08 0.00 -1.41 0.00 0.00 57.07 55.36 1bsd s TYR 90 Cb -0.13 -0.81 -0.02 0.00 -1.10 0.00 0.00 41.96 39.90 1bsd s TYR 90 CO -0.06 0.08 0.38 -1.54 -2.51 0.00 0.00 175.55 171.89 1bsd s SER 91 N -1.42 5.06 0.44 -0.18 1.04 -0.67 0.20 113.70 118.17 1bsd s SER 91 Ca 0.02 -0.74 0.14 0.00 0.48 0.00 0.00 55.95 55.86 1bsd s SER 91 Cb -0.09 -0.58 1.06 0.00 0.10 0.00 0.00 66.02 66.51 1bsd s SER 91 CO 0.02 -0.65 2.00 0.77 0.98 0.00 0.00 173.24 176.35 1bsd h SER 92 N 1.02 0.33 -0.53 7.02 4.64 -0.98 -0.13 113.55 124.92 1bsd h SER 92 Ca -0.41 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1bsd h SER 92 Cb 1.27 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1bsd h SER 92 CO 0.57 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 1bsd n ASP 93 N -4.47 4.59 -3.02 4.97 5.75 -1.26 -4.94 116.55 118.17 1bsd n ASP 93 Ca 0.09 -2.57 -0.19 0.00 -0.01 0.00 0.00 54.79 52.10 1bsd n ASP 93 Cb 0.35 -0.59 0.07 0.00 -1.03 0.00 0.00 41.12 39.91 1bsd n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bsd n TRP 94 N 0.77 -2.32 -3.19 2.11 7.02 -0.06 -5.03 117.44 116.74 1bsd n TRP 94 Ca 0.23 0.83 -0.34 0.00 -1.02 0.00 0.00 57.50 57.20 1bsd n TRP 94 Cb 0.91 -4.31 -0.06 0.00 -2.42 0.00 0.00 31.31 25.43 1bsd n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bsd s LEU 95 N -6.11 4.18 -0.07 -0.99 1.43 -1.26 -4.83 118.68 111.03 1bsd s LEU 95 Ca 0.45 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 1bsd s LEU 95 Cb -0.20 -3.82 0.01 0.00 0.03 0.00 0.00 46.19 42.21 1bsd s LEU 95 CO 0.59 -0.10 -0.12 -0.69 0.23 0.00 0.00 176.35 176.27 1bsd s VAL 96 N -1.79 1.17 0.39 -1.59 1.01 -0.60 -1.68 120.40 117.31 1bsd s VAL 96 Ca 0.49 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1bsd s VAL 96 Cb -0.12 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 1bsd s VAL 96 CO 0.19 0.37 0.01 -0.31 0.00 0.00 0.00 175.10 175.36 1bsd s TYR 97 N 0.78 2.42 0.01 5.22 1.51 0.87 -0.88 117.35 127.27 1bsd s TYR 97 Ca -0.12 -0.71 -0.05 0.00 -1.01 0.00 0.00 57.07 55.18 1bsd s TYR 97 Cb -0.15 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1bsd s TYR 97 CO 0.02 0.38 0.08 -1.59 -1.11 0.00 0.00 175.55 173.34 1bsd s LYS 98 N -3.74 0.43 0.04 -0.62 -2.85 0.18 -1.58 119.74 111.61 1bsd s LYS 98 Ca 0.35 -0.48 0.03 0.00 -1.00 0.00 0.00 55.97 54.87 1bsd s LYS 98 Cb 0.09 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1bsd s LYS 98 CO 0.17 -0.10 -0.09 -0.08 0.10 0.00 0.00 175.35 175.36 1bsd s THR 99 N -1.46 0.69 -0.01 3.79 -1.32 -0.97 -1.21 115.64 115.15 1bsd s THR 99 Ca -0.15 -0.97 0.02 0.00 -1.21 0.00 0.00 61.69 59.38 1bsd s THR 99 Cb -0.08 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 70.24 1bsd s THR 99 CO 0.01 -0.23 0.79 0.35 -2.21 0.00 0.00 174.62 173.33 1bsd n THR 100 N 1.73 0.26 -2.07 5.08 -2.24 -1.26 -2.60 114.28 113.19 1bsd n THR 100 Ca -0.20 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 1bsd n THR 100 Cb 0.55 0.66 0.11 0.00 -2.10 0.00 0.00 70.33 69.55 1bsd n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bsd n ASP 101 N -0.17 1.52 -2.77 3.42 5.68 -1.22 -4.70 116.55 118.30 1bsd n ASP 101 Ca 0.01 -2.98 -0.12 0.00 -0.50 0.00 0.00 54.79 51.21 1bsd n ASP 101 Cb 0.56 -0.42 0.06 0.00 -1.14 0.00 0.00 41.12 40.18 1bsd n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bsd n HIS 102 N -0.36 -1.71 -2.47 2.11 -0.00 -0.92 -3.44 115.22 108.44 1bsd n HIS 102 Ca 0.14 0.65 -0.16 0.00 -0.00 0.00 0.00 57.72 58.35 1bsd n HIS 102 Cb 0.91 -3.93 -0.01 0.00 -0.00 0.00 0.00 29.99 26.97 1bsd n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bsd n TYR 103 N -2.98 -1.28 -0.03 1.57 4.02 -1.26 -4.88 117.16 112.32 1bsd n TYR 103 Ca -0.12 0.03 -0.06 0.00 -0.01 0.00 0.00 57.90 57.74 1bsd n TYR 103 Cb 0.60 -3.29 -0.13 0.00 -0.02 0.00 0.00 39.34 36.50 1bsd n TYR 103 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1bsd n GLN 104 N -2.95 0.64 -3.83 -0.72 6.02 -1.22 -4.94 117.38 110.39 1bsd n GLN 104 Ca -0.18 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 1bsd n GLN 104 Cb 0.64 -1.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.08 1bsd n GLN 104 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1bsd s THR 105 N -2.69 0.05 -0.01 5.09 -4.23 -1.26 -5.11 115.64 107.48 1bsd s THR 105 Ca -0.06 -0.43 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1bsd s THR 105 Cb 0.08 -0.43 -0.01 0.00 1.34 0.00 0.00 72.50 73.48 1bsd s THR 105 CO 0.83 -0.24 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.15 1bsd s PHE 106 N -0.90 1.44 0.00 3.99 0.40 -1.26 -4.18 117.98 117.47 1bsd s PHE 106 Ca -0.10 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1bsd s PHE 106 Cb -0.05 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 1bsd s PHE 106 CO 0.02 -0.03 -0.13 0.99 0.70 0.00 0.00 175.22 176.77 1bsd s THR 107 N -0.34 0.99 0.30 0.64 2.01 -0.35 -4.92 115.64 113.97 1bsd s THR 107 Ca 0.05 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 1bsd s THR 107 Cb -0.07 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 1bsd s THR 107 CO -0.00 0.20 1.07 -0.75 -0.69 0.00 0.00 174.62 174.44 1bsd s LYS 108 N -0.52 4.57 0.00 4.92 2.20 -1.26 0.47 119.74 130.12 1bsd s LYS 108 Ca 0.04 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 1bsd s LYS 108 Cb -0.06 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1bsd s LYS 108 CO -0.00 0.18 0.00 0.44 -0.36 0.00 0.00 175.35 175.61 1bsd n ILE 109 N 0.98 0.00 -1.40 5.43 -5.35 -0.06 -4.88 119.36 114.08 1bsd n ILE 109 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1bsd n ILE 109 Cb 0.46 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1bsd n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33