#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brs s ILE 4 N 0.00 5.29 -0.07 2.52 1.01 -1.26 -4.84 121.20 123.85 1brs s ILE 4 Ca 0.00 -1.94 0.23 0.00 0.00 0.00 0.00 60.65 58.94 1brs s ILE 4 Cb 0.00 -4.34 0.41 0.00 0.01 0.00 0.00 42.46 38.54 1brs s ILE 4 CO 0.00 -0.93 1.15 -0.46 0.00 0.00 0.00 174.94 174.70 1brs n ASN 5 N 4.68 0.87 -4.72 3.58 6.94 -1.26 -4.69 115.26 120.66 1brs n ASN 5 Ca -0.02 -2.01 -0.23 0.00 -0.02 0.00 0.00 54.58 52.30 1brs n ASN 5 Cb 0.43 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.53 1brs n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brs s THR 6 N -0.85 3.90 0.10 5.53 -4.23 -1.26 -0.09 115.64 118.74 1brs s THR 6 Ca 0.29 -1.68 -0.26 0.00 -1.18 0.00 0.00 61.69 58.86 1brs s THR 6 Cb 0.34 -3.09 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 1brs s THR 6 CO -0.12 -0.36 1.66 -0.26 -0.54 0.00 0.00 174.62 175.00 1brs h PHE 7 N 1.74 -0.53 -0.27 3.99 0.04 -1.99 -0.64 116.94 119.28 1brs h PHE 7 Ca -0.46 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.30 1brs h PHE 7 Cb 1.24 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.60 1brs h PHE 7 CO 0.63 -0.30 0.10 -0.44 -0.60 0.00 0.00 178.31 177.70 1brs h ASP 8 N -0.40 0.37 -0.00 2.17 3.32 -1.97 0.19 116.42 120.10 1brs h ASP 8 Ca 0.02 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1brs h ASP 8 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1brs h ASP 8 CO -0.09 0.44 -0.16 1.23 -1.72 0.00 0.00 179.24 178.95 1brs h GLY 9 N 0.28 -1.32 0.83 2.75 0.00 -1.96 0.55 103.07 104.20 1brs h GLY 9 Ca 0.09 0.62 0.04 0.00 0.00 0.00 0.00 47.33 48.08 1brs h GLY 9 CO -0.01 -0.45 0.56 -2.08 0.00 0.00 0.00 176.54 174.57 1brs h VAL 10 N -0.19 1.11 -0.80 4.60 2.07 -1.12 -1.34 116.25 120.58 1brs h VAL 10 Ca 0.00 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1brs h VAL 10 Cb 0.21 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1brs h VAL 10 CO -0.11 0.20 0.52 0.00 0.02 0.00 0.00 177.57 178.20 1brs h ALA 11 N 1.38 1.02 -0.37 1.67 0.00 0.04 -1.36 119.26 121.63 1brs h ALA 11 Ca 0.36 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1brs h ALA 11 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1brs h ALA 11 CO -0.14 0.44 -0.17 -0.44 0.00 0.00 0.00 179.25 178.94 1brs h ASP 12 N 1.09 0.69 -0.46 0.00 3.32 0.79 -2.96 116.42 118.89 1brs h ASP 12 Ca 0.29 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1brs h ASP 12 Cb -0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1brs h ASP 12 CO -0.06 0.87 -0.14 0.22 -1.72 0.00 0.00 179.24 178.41 1brs h TYR 13 N 0.62 1.03 -0.06 4.55 5.03 -0.86 -2.17 116.97 125.11 1brs h TYR 13 Ca 0.10 -0.23 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 1brs h TYR 13 Cb 0.64 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 1brs h TYR 13 CO 0.03 1.01 0.02 -0.07 -1.32 0.00 0.00 178.16 177.83 1brs h LEU 14 N 0.75 0.07 -0.55 2.82 3.38 -1.26 0.27 115.31 120.80 1brs h LEU 14 Ca 0.11 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1brs h LEU 14 Cb 0.69 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 1brs h LEU 14 CO 0.05 0.20 -0.32 1.56 0.09 0.00 0.00 178.44 180.02 1brs h GLN 15 N -0.05 -0.16 0.08 1.13 1.08 -1.50 1.60 115.11 117.28 1brs h GLN 15 Ca 0.02 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1brs h GLN 15 Cb 0.14 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1brs h GLN 15 CO -0.00 -0.11 -0.04 1.15 -0.95 0.00 0.00 178.83 178.88 1brs h THR 16 N -0.17 0.00 0.00 -0.54 2.02 -1.35 -3.39 112.91 109.48 1brs h THR 16 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1brs h THR 16 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1brs h THR 16 CO -0.64 0.00 -0.37 -1.22 0.37 0.00 0.00 175.52 173.66 1brs n TYR 17 N -2.50 0.14 -3.60 3.16 4.01 0.93 -4.96 117.16 114.35 1brs n TYR 17 Ca -0.01 0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.50 1brs n TYR 17 Cb 0.04 -0.42 0.03 0.00 -0.31 0.00 0.00 39.34 38.68 1brs n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brs n HIS 18 N -1.64 -2.26 -3.51 -0.72 8.25 0.54 -4.93 115.22 110.95 1brs n HIS 18 Ca 0.05 0.78 -0.10 0.00 -0.26 0.00 0.00 57.72 58.19 1brs n HIS 18 Cb 0.36 -4.08 -0.02 0.00 1.12 0.00 0.00 29.99 27.37 1brs n HIS 18 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1brs s LYS 19 N -6.29 1.19 0.17 -0.41 3.01 -1.25 -5.06 119.74 111.09 1brs s LYS 19 Ca 0.54 -0.49 -0.18 0.00 -1.01 0.00 0.00 55.97 54.84 1brs s LYS 19 Cb -0.26 0.51 -0.07 0.00 -1.01 0.00 0.00 37.83 37.00 1brs s LYS 19 CO 0.67 -0.52 0.64 -0.51 0.51 0.00 0.00 175.35 176.13 1brs s LEU 20 N -2.70 4.39 0.83 3.17 1.43 -1.26 -3.87 118.68 120.66 1brs s LEU 20 Ca 0.04 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 1brs s LEU 20 Cb -0.02 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 1brs s LEU 20 CO -0.09 0.11 0.07 -2.65 0.23 0.00 0.00 176.35 174.03 1brs n PRO 21 N 0.97 0.03 0.00 1.29 -0.02 -1.26 -4.72 135.00 131.29 1brs n PRO 21 Ca -0.05 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1brs n PRO 21 Cb 0.51 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1brs n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1brs n ASP 22 N 0.75 0.21 -0.53 2.55 3.85 -1.26 -3.12 116.55 119.00 1brs n ASP 22 Ca 0.06 -1.29 0.14 0.00 -0.71 0.00 0.00 54.79 52.98 1brs n ASP 22 Cb 0.52 -0.11 0.47 0.00 -1.35 0.00 0.00 41.12 40.66 1brs n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1brs n ASN 23 N -0.28 1.67 -4.76 -1.12 6.94 -1.26 -4.89 115.26 111.56 1brs n ASN 23 Ca 0.00 -1.55 -0.37 0.00 -0.02 0.00 0.00 54.58 52.64 1brs n ASN 23 Cb 0.05 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.41 1brs n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brs s TYR 24 N -2.01 3.55 -0.00 -2.53 2.02 -1.18 0.55 117.35 117.74 1brs s TYR 24 Ca 0.37 0.76 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 1brs s TYR 24 Cb 0.21 -2.36 -0.00 0.00 -0.40 0.00 0.00 41.96 39.41 1brs s TYR 24 CO 0.34 0.35 -0.05 0.96 -1.57 0.00 0.00 175.55 175.57 1brs s ILE 25 N 0.04 0.42 1.02 2.71 -0.00 0.37 -4.87 121.20 120.90 1brs s ILE 25 Ca 0.20 -0.26 -0.15 0.00 -0.00 0.00 0.00 60.65 60.45 1brs s ILE 25 Cb -0.14 -0.36 0.20 0.00 -0.00 0.00 0.00 42.46 42.15 1brs s ILE 25 CO 0.08 0.10 1.15 0.42 -0.00 0.00 0.00 174.94 176.69 1brs s THR 26 N -0.17 1.89 0.17 8.37 -4.23 -1.20 -1.15 115.64 119.32 1brs s THR 26 Ca 0.02 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.43 1brs s THR 26 Cb -0.02 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1brs s THR 26 CO -0.00 0.00 1.59 0.11 -0.54 0.00 0.00 174.62 175.78 1brs h LYS 27 N -1.90 1.03 -0.45 3.99 1.57 -1.96 -1.50 116.57 117.34 1brs h LYS 27 Ca -0.49 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 57.87 1brs h LYS 27 Cb 1.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1brs h LYS 27 CO 0.50 1.07 0.11 0.66 -0.57 0.00 0.00 179.45 181.21 1brs h SER 28 N 0.90 0.69 0.62 0.86 4.64 -1.99 -1.00 113.55 118.27 1brs h SER 28 Ca 0.14 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1brs h SER 28 Cb 0.68 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1brs h SER 28 CO 0.05 0.74 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.96 1brs h GLU 29 N 0.60 -1.00 -0.72 4.77 3.07 -1.87 -2.58 114.58 116.85 1brs h GLU 29 Ca 0.14 0.07 0.15 0.00 -0.50 0.00 0.00 59.36 59.22 1brs h GLU 29 Cb 0.32 0.23 -0.10 0.00 -0.84 0.00 0.00 28.75 28.36 1brs h GLU 29 CO 0.00 -0.66 0.22 0.00 -1.40 0.00 0.00 179.01 177.17 1brs h ALA 30 N -1.13 0.96 -0.25 3.43 0.00 -1.25 -0.46 119.26 120.57 1brs h ALA 30 Ca -0.08 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1brs h ALA 30 Cb 0.85 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1brs h ALA 30 CO 0.03 -0.29 -0.20 -0.56 0.00 0.00 0.00 179.25 178.23 1brs h GLN 31 N 0.33 -0.19 -0.50 0.00 -0.00 -1.09 0.47 115.11 114.13 1brs h GLN 31 Ca 0.40 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 59.15 1brs h GLN 31 Cb 0.65 0.04 -0.10 0.00 -0.00 0.00 0.00 27.48 28.07 1brs h GLN 31 CO -0.45 -0.13 -0.35 0.00 -0.00 0.00 0.00 178.83 177.89 1brs h ALA 32 N 0.90 -0.17 0.00 0.06 0.00 -0.69 1.18 119.26 120.55 1brs h ALA 32 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1brs h ALA 32 Cb 0.41 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1brs h ALA 32 CO -0.36 -0.73 0.00 1.28 0.00 0.00 0.00 179.25 179.43 1brs n LEU 33 N -5.42 0.69 -0.86 0.00 4.77 0.38 -4.60 117.00 111.96 1brs n LEU 33 Ca 0.02 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.56 1brs n LEU 33 Cb 0.35 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1brs n LEU 33 CO 0.03 0.14 -0.10 0.61 -1.33 0.00 0.00 177.39 176.74 1brs n GLY 34 N 0.43 0.70 3.68 -0.72 0.00 0.40 -4.86 105.19 104.82 1brs n GLY 34 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1brs n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brs s TRP 35 N -2.40 3.07 -0.37 1.61 -0.00 0.14 -4.96 118.94 116.03 1brs s TRP 35 Ca 0.00 1.13 0.04 0.00 -0.00 0.00 0.00 56.10 57.27 1brs s TRP 35 Cb 0.00 -3.46 0.11 0.00 -0.00 0.00 0.00 33.47 30.11 1brs s TRP 35 CO 0.00 -1.51 0.09 0.08 -0.00 0.00 0.00 176.95 175.62 1brs s VAL 36 N 2.55 2.24 0.15 5.86 1.01 -1.26 -4.06 120.40 126.88 1brs s VAL 36 Ca 0.56 -2.48 -0.16 0.00 0.00 0.00 0.00 61.98 59.90 1brs s VAL 36 Cb -0.24 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.59 1brs s VAL 36 CO 0.20 -0.65 1.11 0.00 0.00 0.00 0.00 175.10 175.77 1brs n ALA 37 N 4.06 -0.22 0.33 5.51 0.00 -1.26 -0.16 120.51 128.76 1brs n ALA 37 Ca 0.04 0.68 0.12 0.00 0.00 0.00 0.00 53.44 54.27 1brs n ALA 37 Cb 0.40 -0.24 0.63 0.00 0.00 0.00 0.00 19.45 20.24 1brs n ALA 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1brs h SER 38 N 0.00 0.00 0.00 0.00 0.02 -2.02 -3.03 113.55 108.52 1brs h SER 38 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1brs h SER 38 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1brs h SER 38 CO -0.70 0.00 -0.23 0.11 -1.14 0.00 0.00 176.83 174.87 1brs h LYS 39 N 0.00 0.00 0.00 3.45 6.56 -1.00 -3.49 116.57 122.09 1brs h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1brs h LYS 39 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1brs h LYS 39 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1brs n GLY 40 N 1.70 1.67 1.62 3.86 0.00 -1.15 -4.92 105.19 107.98 1brs n GLY 40 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1brs n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brs n ASN 41 N 0.00 4.83 0.11 1.61 6.94 -1.26 -4.35 115.26 123.13 1brs n ASN 41 Ca 0.00 -2.71 -0.23 0.00 -0.02 0.00 0.00 54.58 51.62 1brs n ASN 41 Cb 0.00 -0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 36.65 1brs n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brs h LEU 42 N 3.37 0.87 -0.22 -4.53 5.85 -1.90 -0.78 115.31 117.97 1brs h LEU 42 Ca 0.00 -0.83 -0.04 0.00 0.84 0.00 0.00 57.88 57.85 1brs h LEU 42 Cb 1.67 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1brs h LEU 42 CO 0.38 1.63 -0.00 0.00 -0.34 0.00 0.00 178.44 180.11 1brs h ALA 43 N 0.27 0.29 -0.17 1.25 0.00 -1.83 0.35 119.26 119.42 1brs h ALA 43 Ca -0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1brs h ALA 43 Cb 1.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1brs h ALA 43 CO 0.25 0.02 0.10 -0.44 0.00 0.00 0.00 179.25 179.18 1brs h ASP 44 N 0.14 0.21 -0.12 0.00 3.32 -1.88 0.21 116.42 118.30 1brs h ASP 44 Ca 0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1brs h ASP 44 Cb 0.41 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1brs h ASP 44 CO 0.01 0.20 0.00 1.33 -1.72 0.00 0.00 179.24 179.06 1brs n VAL 45 N -4.94 0.15 -2.69 -1.35 0.24 -0.30 -4.56 118.33 104.89 1brs n VAL 45 Ca -0.04 -0.29 -0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1brs n VAL 45 Cb 0.05 0.31 0.02 0.00 -1.47 0.00 0.00 33.84 32.75 1brs n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brs s ALA 46 N -1.85 -4.76 0.20 2.33 0.00 0.12 -4.89 121.76 112.91 1brs s ALA 46 Ca 0.33 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1brs s ALA 46 Cb 0.18 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1brs s ALA 46 CO 0.27 -2.55 1.24 -2.14 0.00 0.00 0.00 175.76 172.58 1brs s PRO 47 N 1.55 4.46 -1.06 0.00 0.02 0.72 -3.23 135.00 137.45 1brs s PRO 47 Ca 0.18 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1brs s PRO 47 Cb 0.09 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1brs s PRO 47 CO -0.14 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 1brs n GLY 48 N 2.16 1.11 3.84 0.52 0.00 -1.26 -5.02 105.19 106.53 1brs n GLY 48 Ca 0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1brs n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1brs s LYS 49 N -2.67 2.83 0.02 1.61 -2.85 -1.20 -4.79 119.74 112.69 1brs s LYS 49 Ca 0.00 -1.17 -0.08 0.00 -1.00 0.00 0.00 55.97 53.72 1brs s LYS 49 Cb 0.00 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 1brs s LYS 49 CO 0.00 0.25 0.16 -1.12 0.10 0.00 0.00 175.35 174.74 1brs s SER 50 N -3.92 0.05 -0.12 0.03 0.01 0.19 -4.85 113.70 105.10 1brs s SER 50 Ca 0.37 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 1brs s SER 50 Cb -0.07 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 1brs s SER 50 CO 0.26 -0.48 1.27 -0.63 0.41 0.00 0.00 173.24 174.06 1brs s ILE 51 N -2.11 4.21 -0.04 1.44 -1.09 -1.25 0.14 121.20 122.50 1brs s ILE 51 Ca -0.09 1.50 -0.29 0.00 -2.23 0.00 0.00 60.65 59.54 1brs s ILE 51 Cb -0.03 -3.97 0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1brs s ILE 51 CO -0.02 -0.08 0.77 -0.83 -1.23 0.00 0.00 174.94 173.55 1brs s GLY 52 N 1.87 -0.49 0.00 6.18 0.00 -0.30 -0.25 107.32 114.32 1brs s GLY 52 Ca 0.56 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.63 1brs s GLY 52 CO 0.18 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.69 1brs n GLY 53 N 0.56 1.02 3.78 0.20 0.00 0.92 -3.25 105.19 108.42 1brs n GLY 53 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1brs n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brs s ASP 54 N -2.91 5.23 0.52 1.61 1.01 -1.21 -4.69 116.67 116.23 1brs s ASP 54 Ca 0.00 1.91 -0.22 0.00 0.71 0.00 0.00 52.55 54.95 1brs s ASP 54 Cb 0.00 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1brs s ASP 54 CO 0.00 -1.54 1.37 -0.63 0.21 0.00 0.00 175.17 174.58 1brs s ILE 55 N -2.47 2.09 -0.23 0.77 -1.09 -1.26 -1.22 121.20 117.79 1brs s ILE 55 Ca 0.65 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 1brs s ILE 55 Cb -0.19 -3.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1brs s ILE 55 CO 0.43 0.00 -0.13 0.12 -1.23 0.00 0.00 174.94 174.13 1brs s PHE 56 N -1.28 3.07 -1.22 3.97 5.36 0.12 -4.70 117.98 123.29 1brs s PHE 56 Ca 0.69 -1.96 0.25 0.00 -0.96 0.00 0.00 56.93 54.95 1brs s PHE 56 Cb -0.41 -1.95 1.16 0.00 -0.34 0.00 0.00 43.02 41.48 1brs s PHE 56 CO 0.49 -0.83 1.82 0.43 -1.46 0.00 0.00 175.22 175.67 1brs n SER 57 N 4.54 0.00 -3.83 6.13 7.64 -1.26 -4.21 113.62 122.62 1brs n SER 57 Ca -0.17 0.21 -0.26 0.00 1.01 0.00 0.00 58.87 59.66 1brs n SER 57 Cb 0.46 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1brs n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1brs n ASN 58 N -1.39 -1.64 -0.08 6.43 5.15 -1.26 -4.87 115.26 117.60 1brs n ASN 58 Ca 0.09 -0.97 0.01 0.00 -0.60 0.00 0.00 54.58 53.11 1brs n ASN 58 Cb 0.24 -3.35 0.31 0.00 -0.53 0.00 0.00 39.78 36.44 1brs n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brs h ARG 59 N -1.86 0.71 0.00 1.20 3.08 -2.00 -2.30 114.38 113.22 1brs h ARG 59 Ca -0.63 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.33 1brs h ARG 59 Cb 1.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1brs h ARG 59 CO 0.58 0.55 -0.45 0.39 -1.07 0.00 0.00 179.97 179.97 1brs n GLU 60 N -4.38 0.00 -2.07 0.04 -0.58 -1.26 -4.96 120.64 107.42 1brs n GLU 60 Ca 0.04 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.67 1brs n GLU 60 Cb 0.12 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1brs n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1brs n GLY 61 N 1.50 0.13 0.12 0.62 0.00 -0.87 -4.93 105.19 101.76 1brs n GLY 61 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1brs n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brs h LYS 62 N 0.00 0.21 -6.67 1.61 1.57 -1.93 -3.44 116.57 107.92 1brs h LYS 62 Ca -0.27 -0.25 -0.50 0.00 -1.87 0.00 0.00 60.65 57.76 1brs h LYS 62 Cb 1.13 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1brs h LYS 62 CO 0.33 1.00 0.07 -0.51 -0.57 0.00 0.00 179.45 179.77 1brs s LEU 63 N -7.38 4.11 0.20 2.94 1.43 -1.26 -4.99 118.68 113.73 1brs s LEU 63 Ca -0.03 1.25 -0.32 0.00 -1.03 0.00 0.00 54.13 54.01 1brs s LEU 63 Cb 0.10 -3.96 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 1brs s LEU 63 CO 0.84 -0.16 1.65 -2.16 0.23 0.00 0.00 176.35 176.75 1brs s PRO 64 N -2.82 4.16 0.25 1.29 0.04 -1.26 -5.01 135.00 131.65 1brs s PRO 64 Ca 0.52 2.51 0.08 0.00 0.04 0.00 0.00 61.00 64.15 1brs s PRO 64 Cb -0.11 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1brs s PRO 64 CO 0.18 -0.68 0.09 0.20 0.04 0.00 0.00 177.00 176.83 1brs s GLY 65 N 1.09 1.55 -0.20 0.56 0.00 -1.26 -5.05 107.32 104.01 1brs s GLY 65 Ca 0.72 -1.52 -0.36 0.00 0.00 0.00 0.00 44.72 43.56 1brs s GLY 65 CO 0.33 -1.57 1.29 -1.59 0.00 0.00 0.00 173.10 171.56 1brs s LYS 66 N -3.67 0.21 0.14 2.90 -2.85 -1.26 -5.07 119.74 110.13 1brs s LYS 66 Ca 0.32 -0.08 -0.31 0.00 -1.00 0.00 0.00 55.97 54.89 1brs s LYS 66 Cb -0.07 0.09 -0.11 0.00 -2.06 0.00 0.00 37.83 35.68 1brs s LYS 66 CO 0.22 -0.09 1.81 -1.54 0.10 0.00 0.00 175.35 175.85 1brs s SER 67 N -2.26 6.42 -0.56 0.03 1.04 -1.26 -1.73 113.70 115.38 1brs s SER 67 Ca 0.11 2.78 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1brs s SER 67 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1brs s SER 67 CO -0.04 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1brs n GLY 68 N 4.19 0.75 3.71 7.32 0.00 -1.26 -5.01 105.19 114.89 1brs n GLY 68 Ca 0.17 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1brs n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brs s ARG 69 N -1.98 4.24 0.06 1.61 3.52 -0.71 -4.96 118.95 120.73 1brs s ARG 69 Ca 0.00 0.13 0.08 0.00 -0.13 0.00 0.00 55.73 55.81 1brs s ARG 69 Cb 0.00 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1brs s ARG 69 CO 0.00 0.15 -0.22 0.95 -0.81 0.00 0.00 175.30 175.37 1brs s THR 70 N 0.73 1.82 0.11 4.11 -4.23 -1.26 -4.74 115.64 112.18 1brs s THR 70 Ca 0.17 -1.33 0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1brs s THR 70 Cb -0.14 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1brs s THR 70 CO 0.05 0.20 -0.17 0.26 -0.54 0.00 0.00 174.62 174.42 1brs s TRP 71 N -0.86 2.56 0.08 3.99 0.52 -1.26 -1.15 118.94 122.81 1brs s TRP 71 Ca 0.09 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 55.96 1brs s TRP 71 Cb -0.09 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1brs s TRP 71 CO 0.02 0.38 -0.04 1.03 0.02 0.00 0.00 176.95 178.36 1brs s ARG 72 N -2.11 0.75 0.26 4.98 0.52 -0.82 0.14 118.95 122.66 1brs s ARG 72 Ca 0.18 -1.30 0.02 0.00 -0.52 0.00 0.00 55.73 54.12 1brs s ARG 72 Cb -0.11 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.30 1brs s ARG 72 CO 0.10 -0.07 0.07 -1.83 0.02 0.00 0.00 175.30 173.59 1brs s GLU 73 N -3.88 1.41 -0.21 3.54 -1.05 -0.36 -1.50 118.70 116.65 1brs s GLU 73 Ca 0.11 -1.75 -0.27 0.00 -0.15 0.00 0.00 54.97 52.91 1brs s GLU 73 Cb 0.07 -0.41 0.07 0.00 -0.44 0.00 0.00 34.13 33.42 1brs s GLU 73 CO -0.07 -0.23 0.73 0.00 0.95 0.00 0.00 175.26 176.64 1brs s ALA 74 N -3.62 -1.79 0.50 -0.84 0.00 -0.47 -0.06 121.76 115.48 1brs s ALA 74 Ca 0.35 1.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.92 1brs s ALA 74 Cb 0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.26 1brs s ALA 74 CO 0.12 -0.34 1.15 -0.51 0.00 0.00 0.00 175.76 176.18 1brs s ASP 75 N -0.07 5.96 0.05 0.00 1.11 0.65 -0.98 116.67 123.40 1brs s ASP 75 Ca -0.03 2.25 0.06 0.00 0.18 0.00 0.00 52.55 55.01 1brs s ASP 75 Cb -0.04 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 1brs s ASP 75 CO 0.03 -1.06 -0.16 -0.63 1.18 0.00 0.00 175.17 174.53 1brs s ILE 76 N -1.65 1.29 -1.63 0.77 -1.09 -0.90 -4.82 121.20 113.18 1brs s ILE 76 Ca 0.68 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1brs s ILE 76 Cb -0.26 -1.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 1brs s ILE 76 CO 0.31 0.04 0.00 0.59 -1.23 0.00 0.00 174.94 174.65 1brs n ASN 77 N 1.81 -5.04 -4.90 3.58 3.02 0.87 -4.59 115.26 110.01 1brs n ASN 77 Ca -0.18 0.19 -0.32 0.00 -0.03 0.00 0.00 54.58 54.24 1brs n ASN 77 Cb 0.54 -4.09 -0.05 0.00 -0.61 0.00 0.00 39.78 35.58 1brs n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brs s TYR 78 N -2.75 3.52 0.19 3.10 5.04 -1.26 -4.97 117.35 120.21 1brs s TYR 78 Ca 0.00 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1brs s TYR 78 Cb 0.00 -1.79 0.00 0.00 0.35 0.00 0.00 41.96 40.52 1brs s TYR 78 CO 0.00 0.61 0.00 0.25 -1.34 0.00 0.00 175.55 175.07 1brs n THR 79 N 0.63 0.28 -3.90 4.34 -2.24 -1.26 -4.99 114.28 107.14 1brs n THR 79 Ca -0.08 0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1brs n THR 79 Cb 0.52 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 1brs n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brs s SER 80 N -5.22 0.09 0.36 3.42 1.04 -1.26 -4.65 113.70 107.47 1brs s SER 80 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1brs s SER 80 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1brs s SER 80 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1brs n GLY 81 N -0.12 0.42 3.72 7.32 0.00 -1.26 -4.84 105.19 110.43 1brs n GLY 81 Ca -0.12 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1brs n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brs s PHE 82 N 0.00 3.52 0.69 1.61 0.08 -1.26 -4.65 117.98 117.97 1brs s PHE 82 Ca 0.00 1.46 -0.16 0.00 0.12 0.00 0.00 56.93 58.35 1brs s PHE 82 Cb 0.00 -3.33 0.02 0.00 -0.57 0.00 0.00 43.02 39.13 1brs s PHE 82 CO 0.00 -0.89 1.19 1.03 -0.10 0.00 0.00 175.22 176.45 1brs s ARG 83 N 0.47 2.42 0.00 0.44 0.52 -1.26 -5.04 118.95 116.50 1brs s ARG 83 Ca 0.54 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 1brs s ARG 83 Cb -0.29 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1brs s ARG 83 CO 0.31 -1.61 0.00 0.27 0.02 0.00 0.00 175.30 174.30 1brs n ASN 84 N -2.43 0.10 -1.60 0.23 0.23 -1.26 -5.05 115.26 105.48 1brs n ASN 84 Ca 0.13 -0.99 0.07 0.00 -0.53 0.00 0.00 54.58 53.26 1brs n ASN 84 Cb 0.50 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.54 1brs n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brs n SER 85 N -2.88 4.76 -4.57 0.53 3.41 -1.26 -4.92 113.62 108.68 1brs n SER 85 Ca 0.00 -2.61 -0.34 0.00 -0.26 0.00 0.00 58.87 55.66 1brs n SER 85 Cb 0.00 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.23 1brs n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brs s ASP 86 N -0.77 5.17 0.01 4.04 1.01 -1.26 -1.79 116.67 123.08 1brs s ASP 86 Ca 0.47 -0.02 -0.06 0.00 0.71 0.00 0.00 52.55 53.65 1brs s ASP 86 Cb 0.33 -1.83 -0.00 0.00 1.01 0.00 0.00 42.92 42.43 1brs s ASP 86 CO 0.18 0.19 0.11 -0.13 0.21 0.00 0.00 175.17 175.73 1brs s ARG 87 N 0.25 0.45 -0.09 8.23 1.81 -0.55 -2.12 118.95 126.93 1brs s ARG 87 Ca 0.00 -0.44 -0.00 0.00 -1.72 0.00 0.00 55.73 53.57 1brs s ARG 87 Cb -0.13 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1brs s ARG 87 CO 0.02 -0.10 -0.07 -1.50 -0.68 0.00 0.00 175.30 172.97 1brs s ILE 88 N -1.40 3.71 -0.15 1.52 2.07 -0.15 -1.42 121.20 125.39 1brs s ILE 88 Ca -0.15 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 1brs s ILE 88 Cb -0.08 -2.54 0.01 0.00 0.13 0.00 0.00 42.46 39.98 1brs s ILE 88 CO 0.01 0.57 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.65 1brs s LEU 89 N -0.49 2.04 -0.01 8.50 2.01 0.29 -1.37 118.68 129.65 1brs s LEU 89 Ca 0.07 -0.59 0.05 0.00 0.01 0.00 0.00 54.13 53.67 1brs s LEU 89 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 46.19 44.67 1brs s LEU 89 CO 0.02 0.04 -0.15 -0.72 1.01 0.00 0.00 176.35 176.56 1brs s TYR 90 N 1.00 1.32 0.32 0.29 1.13 -0.56 -0.10 117.35 120.74 1brs s TYR 90 Ca -0.03 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.40 1brs s TYR 90 Cb -0.15 -0.85 -0.03 0.00 -1.10 0.00 0.00 41.96 39.84 1brs s TYR 90 CO -0.05 -0.02 0.48 -1.54 -2.51 0.00 0.00 175.55 171.91 1brs s SER 91 N -0.36 6.24 0.58 -0.18 1.04 0.34 -1.94 113.70 119.41 1brs s SER 91 Ca 0.06 0.25 0.28 0.00 0.48 0.00 0.00 55.95 57.02 1brs s SER 91 Cb -0.06 -1.86 1.50 0.00 0.10 0.00 0.00 66.02 65.70 1brs s SER 91 CO -0.01 -0.26 1.94 0.77 0.98 0.00 0.00 173.24 176.67 1brs h SER 92 N 0.88 0.00 -0.53 7.02 4.64 -1.48 0.70 113.55 124.78 1brs h SER 92 Ca -0.50 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.56 1brs h SER 92 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 1brs h SER 92 CO 0.60 0.00 0.13 -0.90 -0.87 0.00 0.00 176.83 175.79 1brs n ASP 93 N -3.84 2.98 -3.77 4.97 5.75 -1.26 -5.01 116.55 116.37 1brs n ASP 93 Ca 0.08 -3.67 -0.31 0.00 -0.01 0.00 0.00 54.79 50.88 1brs n ASP 93 Cb 0.62 -0.69 0.02 0.00 -1.03 0.00 0.00 41.12 40.04 1brs n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brs n TRP 94 N -1.05 -1.89 -4.47 2.11 7.02 0.24 -5.01 117.44 114.39 1brs n TRP 94 Ca 0.40 0.50 -0.34 0.00 -1.02 0.00 0.00 57.50 57.04 1brs n TRP 94 Cb 1.21 -3.13 -0.12 0.00 -2.42 0.00 0.00 31.31 26.85 1brs n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brs s LEU 95 N -6.15 3.19 -0.06 -0.99 1.43 -1.26 -4.89 118.68 109.95 1brs s LEU 95 Ca 0.32 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1brs s LEU 95 Cb -0.14 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.34 1brs s LEU 95 CO 0.89 0.20 -0.09 -0.63 0.23 0.00 0.00 176.35 176.95 1brs s ILE 96 N 0.19 0.94 0.23 -0.59 1.01 -1.26 -0.51 121.20 121.21 1brs s ILE 96 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.34 1brs s ILE 96 Cb -0.14 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1brs s ILE 96 CO 0.03 0.32 -0.07 -0.31 0.00 0.00 0.00 174.94 174.91 1brs s TYR 97 N 0.87 1.69 0.12 3.97 1.51 0.85 -0.80 117.35 125.56 1brs s TYR 97 Ca -0.11 -0.74 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 1brs s TYR 97 Cb -0.15 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1brs s TYR 97 CO 0.01 0.18 -0.01 -1.59 -1.11 0.00 0.00 175.55 173.03 1brs s LYS 98 N -3.75 0.90 -0.07 -0.62 -2.85 -0.22 0.11 119.74 113.23 1brs s LYS 98 Ca 0.26 -1.40 -0.06 0.00 -1.00 0.00 0.00 55.97 53.77 1brs s LYS 98 Cb 0.03 -0.06 0.02 0.00 -2.06 0.00 0.00 37.83 35.76 1brs s LYS 98 CO 0.08 -0.12 0.19 -0.08 0.10 0.00 0.00 175.35 175.53 1brs s THR 99 N -3.77 -0.01 0.00 3.79 -1.32 -0.51 -1.22 115.64 112.60 1brs s THR 99 Ca 0.17 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1brs s THR 99 Cb 0.06 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1brs s THR 99 CO -0.02 0.02 0.87 0.35 -2.21 0.00 0.00 174.62 173.63 1brs n THR 100 N 3.28 0.74 -1.77 5.08 -2.24 -1.26 -1.49 114.28 116.62 1brs n THR 100 Ca -0.16 -0.74 -0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1brs n THR 100 Cb 0.57 0.63 0.16 0.00 -2.10 0.00 0.00 70.33 69.59 1brs n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brs n ASP 101 N -0.37 2.28 -3.54 3.42 5.68 -1.21 -4.62 116.55 118.19 1brs n ASP 101 Ca 0.00 -3.70 -0.22 0.00 -0.50 0.00 0.00 54.79 50.37 1brs n ASP 101 Cb 0.31 -0.48 0.05 0.00 -1.14 0.00 0.00 41.12 39.87 1brs n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1brs n HIS 102 N -0.91 -2.10 -0.93 2.11 -0.00 -0.74 -3.20 115.22 109.45 1brs n HIS 102 Ca 0.23 0.74 0.00 0.00 -0.00 0.00 0.00 57.72 58.69 1brs n HIS 102 Cb 0.78 -4.09 0.00 0.00 -0.00 0.00 0.00 29.99 26.68 1brs n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1brs n TYR 103 N -3.92 0.00 -0.12 1.57 4.02 -1.26 -4.86 117.16 112.59 1brs n TYR 103 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 1brs n TYR 103 Cb 0.63 -1.16 -0.03 0.00 -0.02 0.00 0.00 39.34 38.77 1brs n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1brs h GLN 104 N 0.57 0.64 -4.61 -0.72 4.20 -1.97 -3.45 115.11 109.77 1brs h GLN 104 Ca 0.00 -0.24 -0.35 0.00 0.06 0.00 0.00 58.65 58.12 1brs h GLN 104 Cb 0.47 -0.04 -0.27 0.00 0.30 0.00 0.00 27.48 27.94 1brs h GLN 104 CO 0.00 0.81 -0.76 -0.08 -0.67 0.00 0.00 178.83 178.12 1brs s THR 105 N -4.81 0.62 -0.02 -0.54 -1.32 -1.26 -5.11 115.64 103.20 1brs s THR 105 Ca -0.13 -0.51 0.05 0.00 -1.21 0.00 0.00 61.69 59.89 1brs s THR 105 Cb 0.09 -0.55 -0.01 0.00 -1.51 0.00 0.00 72.50 70.51 1brs s THR 105 CO 0.79 0.05 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.71 1brs s PHE 106 N -0.45 1.62 -0.09 9.09 0.08 -1.26 -4.38 117.98 122.60 1brs s PHE 106 Ca 0.00 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1brs s PHE 106 Cb -0.05 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1brs s PHE 106 CO 0.00 -0.04 -0.15 0.99 -0.10 0.00 0.00 175.22 175.93 1brs s THR 107 N -0.38 1.37 -0.09 0.64 2.01 -0.35 -4.95 115.64 113.89 1brs s THR 107 Ca 0.06 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1brs s THR 107 Cb -0.07 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1brs s THR 107 CO -0.00 0.41 1.36 -0.75 -0.69 0.00 0.00 174.62 174.94 1brs s LYS 108 N 0.78 4.25 0.00 4.92 2.20 -1.26 -1.06 119.74 129.58 1brs s LYS 108 Ca -0.12 1.83 0.07 0.00 -0.36 0.00 0.00 55.97 57.39 1brs s LYS 108 Cb -0.16 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1brs s LYS 108 CO 0.02 -0.66 0.62 0.44 -0.36 0.00 0.00 175.35 175.41 1brs n ILE 109 N 5.10 0.00 -1.99 5.43 -5.35 0.02 -4.97 119.36 117.60 1brs n ILE 109 Ca 0.14 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1brs n ILE 109 Cb 0.44 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 1brs n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33