#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bni s ILE 4 N 0.00 -0.01 -0.00 0.00 1.09 -1.26 -5.05 121.20 115.97 1bni s ILE 4 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 1bni s ILE 4 Cb 0.00 -0.19 0.01 0.00 -1.06 0.00 0.00 42.46 41.21 1bni s ILE 4 CO 0.00 0.01 0.63 -0.46 -0.10 0.00 0.00 174.94 175.03 1bni n ASN 5 N 3.24 0.35 -4.97 3.58 6.94 -1.26 -4.77 115.26 118.37 1bni n ASN 5 Ca -0.15 -1.28 -0.21 0.00 -0.02 0.00 0.00 54.58 52.92 1bni n ASN 5 Cb 0.58 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.96 1bni n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bni s THR 6 N -0.21 4.55 0.14 5.53 -4.23 -1.26 -0.30 115.64 119.87 1bni s THR 6 Ca 0.01 -0.84 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 1bni s THR 6 Cb 0.01 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.24 1bni s THR 6 CO 0.00 -0.29 1.72 -0.26 -0.54 0.00 0.00 174.62 175.25 1bni h PHE 7 N 0.87 0.04 -0.21 3.99 0.04 -1.98 -0.87 116.94 118.82 1bni h PHE 7 Ca -0.48 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 1bni h PHE 7 Cb 1.24 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1bni h PHE 7 CO 0.45 -0.02 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.67 1bni h ASP 8 N 0.12 0.39 0.53 2.17 5.19 -1.97 0.59 116.42 123.45 1bni h ASP 8 Ca 0.14 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 1bni h ASP 8 Cb 0.17 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1bni h ASP 8 CO -0.21 0.65 -0.50 1.23 -3.12 0.00 0.00 179.24 177.29 1bni h GLY 9 N 0.13 -1.27 0.84 2.75 0.00 -1.95 0.93 103.07 104.49 1bni h GLY 9 Ca 0.06 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1bni h GLY 9 CO 0.02 -0.38 0.04 -2.08 0.00 0.00 0.00 176.54 174.13 1bni h VAL 10 N -1.02 1.18 -0.61 4.60 2.07 -1.18 -2.48 116.25 118.81 1bni h VAL 10 Ca -0.07 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1bni h VAL 10 Cb 0.87 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1bni h VAL 10 CO -0.04 0.17 0.19 0.00 0.02 0.00 0.00 177.57 177.90 1bni h ALA 11 N 0.85 0.77 -0.80 1.67 0.00 0.43 -1.37 119.26 120.82 1bni h ALA 11 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bni h ALA 11 Cb 0.23 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1bni h ALA 11 CO -0.00 -0.25 0.41 -0.44 0.00 0.00 0.00 179.25 178.97 1bni h ASP 12 N 0.34 1.01 -0.77 0.00 3.32 0.10 -2.37 116.42 118.05 1bni h ASP 12 Ca 0.32 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1bni h ASP 12 Cb 0.44 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1bni h ASP 12 CO -0.36 0.84 0.30 0.22 -1.72 0.00 0.00 179.24 178.52 1bni h TYR 13 N 1.11 1.19 -0.41 4.55 5.03 -1.05 -1.40 116.97 125.99 1bni h TYR 13 Ca 0.28 -0.09 -0.11 0.00 2.58 0.00 0.00 58.73 61.38 1bni h TYR 13 Cb 0.07 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 37.98 1bni h TYR 13 CO 0.01 0.91 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.51 1bni h LEU 14 N 1.14 0.86 -0.42 2.82 3.38 -1.03 1.41 115.31 123.46 1bni h LEU 14 Ca 0.26 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1bni h LEU 14 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1bni h LEU 14 CO -0.02 1.06 0.26 1.56 0.09 0.00 0.00 178.44 181.39 1bni h GLN 15 N 0.66 0.56 0.26 1.13 1.08 -1.18 0.43 115.11 118.05 1bni h GLN 15 Ca 0.09 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1bni h GLN 15 Cb 0.72 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1bni h GLN 15 CO 0.05 0.41 -0.12 1.15 -0.95 0.00 0.00 178.83 179.37 1bni h THR 16 N 0.55 0.50 0.00 -0.54 2.02 -1.22 -3.39 112.91 110.83 1bni h THR 16 Ca 0.15 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1bni h THR 16 Cb -0.01 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1bni h THR 16 CO -0.03 0.13 -0.90 -1.22 0.37 0.00 0.00 175.52 173.87 1bni n TYR 17 N -5.01 0.01 -3.80 3.16 4.01 0.48 -4.99 117.16 111.02 1bni n TYR 17 Ca -0.07 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.39 1bni n TYR 17 Cb 0.24 -0.09 0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1bni n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bni n HIS 18 N -1.53 -2.43 -3.54 -0.72 8.25 0.15 -4.94 115.22 110.46 1bni n HIS 18 Ca 0.04 0.91 -0.07 0.00 -0.26 0.00 0.00 57.72 58.34 1bni n HIS 18 Cb 0.34 -4.22 -0.02 0.00 1.12 0.00 0.00 29.99 27.21 1bni n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bni s LYS 19 N -6.52 0.83 0.40 -0.41 -2.85 -1.26 -5.06 119.74 104.87 1bni s LYS 19 Ca 0.64 -0.33 -0.23 0.00 -1.00 0.00 0.00 55.97 55.04 1bni s LYS 19 Cb -0.31 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 1bni s LYS 19 CO 0.79 -0.37 1.01 -0.51 0.10 0.00 0.00 175.35 176.37 1bni s LEU 20 N -2.53 4.11 1.11 2.77 1.43 -1.26 -4.08 118.68 120.24 1bni s LEU 20 Ca 0.06 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 1bni s LEU 20 Cb -0.01 -4.25 0.18 0.00 0.03 0.00 0.00 46.19 42.14 1bni s LEU 20 CO -0.07 -0.43 0.59 -2.65 0.23 0.00 0.00 176.35 174.01 1bni n PRO 21 N -0.14 -1.74 0.09 1.29 -0.02 -1.26 -4.92 135.00 128.29 1bni n PRO 21 Ca 0.05 -0.48 0.17 0.00 -2.02 0.00 0.00 63.50 61.23 1bni n PRO 21 Cb 0.51 -1.98 0.70 0.00 -0.02 0.00 0.00 33.50 32.71 1bni n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bni h ASP 22 N -2.27 0.00 0.26 2.55 3.32 -1.95 -3.08 116.42 115.25 1bni h ASP 22 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1bni h ASP 22 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1bni h ASP 22 CO 0.43 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.49 1bni n ASN 23 N -4.30 0.00 -4.81 6.45 6.94 -1.26 -4.84 115.26 113.44 1bni n ASN 23 Ca 0.06 -0.51 -0.38 0.00 -0.02 0.00 0.00 54.58 53.73 1bni n ASN 23 Cb 0.46 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.68 1bni n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bni s TYR 24 N -2.29 3.70 0.04 -2.53 2.02 -1.17 -0.58 117.35 116.55 1bni s TYR 24 Ca 0.35 1.03 0.02 0.00 -0.37 0.00 0.00 57.07 58.10 1bni s TYR 24 Cb 0.19 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1bni s TYR 24 CO 0.38 0.54 -0.07 0.96 -1.57 0.00 0.00 175.55 175.79 1bni s ILE 25 N -0.75 0.47 1.18 2.71 -4.36 0.49 -4.89 121.20 116.06 1bni s ILE 25 Ca 0.25 -1.13 -0.19 0.00 -0.26 0.00 0.00 60.65 59.32 1bni s ILE 25 Cb -0.17 -0.65 0.28 0.00 1.25 0.00 0.00 42.46 43.17 1bni s ILE 25 CO 0.14 -0.45 1.13 0.42 0.24 0.00 0.00 174.94 176.42 1bni s THR 26 N -1.61 1.64 0.22 8.37 -4.23 -1.14 -1.96 115.64 116.93 1bni s THR 26 Ca -0.09 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1bni s THR 26 Cb -0.08 -2.54 0.09 0.00 1.34 0.00 0.00 72.50 71.31 1bni s THR 26 CO -0.00 0.00 1.71 0.11 -0.54 0.00 0.00 174.62 175.89 1bni h LYS 27 N -2.48 0.93 -0.36 3.99 1.57 -1.97 -1.49 116.57 116.76 1bni h LYS 27 Ca -0.45 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 57.91 1bni h LYS 27 Cb 1.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1bni h LYS 27 CO 0.35 0.92 -0.36 0.66 -0.57 0.00 0.00 179.45 180.44 1bni h SER 28 N 0.86 0.90 -0.50 0.86 4.64 -1.98 0.78 113.55 119.11 1bni h SER 28 Ca 0.16 -0.40 -0.12 0.00 -0.47 0.00 0.00 61.79 60.96 1bni h SER 28 Cb 0.49 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1bni h SER 28 CO 0.02 1.17 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.67 1bni h GLU 29 N 0.70 0.99 -0.47 4.77 5.08 -1.89 0.59 114.58 124.35 1bni h GLU 29 Ca 0.06 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 1bni h GLU 29 Cb 0.93 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1bni h GLU 29 CO 0.09 1.07 -0.06 0.00 -1.00 0.00 0.00 179.01 179.10 1bni h ALA 30 N 0.89 1.00 -0.48 3.43 0.00 -1.07 -2.41 119.26 120.61 1bni h ALA 30 Ca 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1bni h ALA 30 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bni h ALA 30 CO 0.06 0.60 0.16 1.96 0.00 0.00 0.00 179.25 182.03 1bni h GLN 31 N 0.76 0.74 -0.87 0.00 4.20 -0.62 0.17 115.11 119.49 1bni h GLN 31 Ca 0.13 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.76 1bni h GLN 31 Cb 0.55 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 1bni h GLN 31 CO 0.03 0.70 0.53 0.00 -0.67 0.00 0.00 178.83 179.42 1bni h ALA 32 N 1.01 1.21 0.00 3.87 0.00 -0.53 -2.31 119.26 122.51 1bni h ALA 32 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bni h ALA 32 Cb 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bni h ALA 32 CO -0.01 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1bni n LEU 33 N -4.63 0.10 0.00 0.00 4.77 -0.94 -4.82 117.00 111.48 1bni n LEU 33 Ca 0.13 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1bni n LEU 33 Cb 0.20 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1bni n LEU 33 CO 0.30 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1bni n GLY 34 N -0.08 1.46 3.67 -0.72 0.00 -0.87 -4.86 105.19 103.79 1bni n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1bni n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bni s TRP 35 N -2.00 2.45 -0.28 1.61 -0.00 0.55 -4.91 118.94 116.36 1bni s TRP 35 Ca 0.00 0.54 0.01 0.00 -0.00 0.00 0.00 56.10 56.65 1bni s TRP 35 Cb 0.00 -3.77 0.05 0.00 -0.00 0.00 0.00 33.47 29.75 1bni s TRP 35 CO 0.00 -3.04 -0.06 0.08 -0.00 0.00 0.00 176.95 173.92 1bni s VAL 36 N 3.27 2.53 0.27 5.86 1.01 -1.26 -4.44 120.40 127.65 1bni s VAL 36 Ca 0.67 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1bni s VAL 36 Cb -0.31 -2.46 0.28 0.00 0.00 0.00 0.00 36.38 33.88 1bni s VAL 36 CO 0.26 -0.05 1.68 0.00 0.00 0.00 0.00 175.10 177.00 1bni h ALA 37 N 7.87 1.22 0.00 5.51 0.00 -2.00 -1.35 119.26 130.52 1bni h ALA 37 Ca -0.21 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bni h ALA 37 Cb 1.05 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1bni h ALA 37 CO 0.50 -0.37 0.00 0.77 0.00 0.00 0.00 179.25 180.15 1bni h SER 38 N 0.31 0.00 -0.02 0.00 0.02 -2.03 -1.59 113.55 110.24 1bni h SER 38 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1bni h SER 38 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1bni h SER 38 CO -0.56 0.00 -0.33 0.29 -1.14 0.00 0.00 176.83 175.09 1bni n LYS 39 N -2.65 1.55 -3.91 3.45 4.76 -0.51 -4.98 118.16 115.87 1bni n LYS 39 Ca -0.02 -1.27 -0.26 0.00 -2.87 0.00 0.00 58.31 53.89 1bni n LYS 39 Cb 0.09 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1bni n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bni n GLY 40 N 1.39 -0.31 0.80 0.72 0.00 -0.60 -4.90 105.19 102.29 1bni n GLY 40 Ca 0.11 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1bni n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bni n ASN 41 N -2.95 3.23 -0.15 1.61 6.94 -1.25 -4.24 115.26 118.46 1bni n ASN 41 Ca -0.29 -2.11 -0.05 0.00 -0.02 0.00 0.00 54.58 52.11 1bni n ASN 41 Cb 0.68 -0.31 0.01 0.00 -2.36 0.00 0.00 39.78 37.80 1bni n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bni h LEU 42 N 2.40 -0.87 -2.79 -4.53 5.85 -1.88 -0.21 115.31 113.28 1bni h LEU 42 Ca 0.00 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1bni h LEU 42 Cb 0.86 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1bni h LEU 42 CO 0.03 -0.27 -0.00 0.00 -0.34 0.00 0.00 178.44 177.86 1bni h ALA 43 N 1.08 1.00 0.23 1.25 0.00 -1.84 0.28 119.26 121.25 1bni h ALA 43 Ca 0.21 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 1bni h ALA 43 Cb 0.49 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.32 1bni h ALA 43 CO -0.56 0.00 -1.33 -0.44 0.00 0.00 0.00 179.25 176.92 1bni h ASP 44 N 0.00 0.76 1.06 0.00 3.32 -1.38 -3.11 116.42 117.07 1bni h ASP 44 Ca -0.00 -0.93 -0.08 0.00 0.02 0.00 0.00 57.03 56.04 1bni h ASP 44 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1bni h ASP 44 CO 0.00 1.64 -0.98 -0.37 -1.72 0.00 0.00 179.24 177.81 1bni h VAL 45 N 0.02 0.30 -1.52 -1.35 -1.51 -1.32 -3.41 116.25 107.46 1bni h VAL 45 Ca -0.23 -1.54 -0.48 0.00 -1.23 0.00 0.00 66.70 63.23 1bni h VAL 45 Cb 2.05 1.88 -0.33 0.00 -2.13 0.00 0.00 31.29 32.76 1bni h VAL 45 CO 0.25 0.17 -0.96 0.00 -1.23 0.00 0.00 177.57 175.80 1bni n ALA 46 N -2.26 1.50 -1.61 5.19 0.00 0.07 -4.90 120.51 118.50 1bni n ALA 46 Ca -0.03 -2.92 -0.47 0.00 0.00 0.00 0.00 53.44 50.02 1bni n ALA 46 Cb 0.68 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1bni n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bni n PRO 47 N 1.40 1.44 -0.58 0.00 -0.02 -1.17 -2.65 135.00 133.43 1bni n PRO 47 Ca 0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1bni n PRO 47 Cb 0.56 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1bni n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bni n GLY 48 N 1.98 1.69 3.88 -1.23 0.00 -1.26 -5.04 105.19 105.21 1bni n GLY 48 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1bni n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bni s LYS 49 N -0.06 3.71 0.11 1.61 -0.14 -1.08 -4.84 119.74 119.05 1bni s LYS 49 Ca 0.00 0.09 0.07 0.00 -1.36 0.00 0.00 55.97 54.76 1bni s LYS 49 Cb 0.00 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1bni s LYS 49 CO 0.00 0.47 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.77 1bni s SER 50 N -2.17 2.15 0.11 2.83 0.01 0.25 -4.82 113.70 112.06 1bni s SER 50 Ca 0.39 -0.72 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 1bni s SER 50 Cb -0.13 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 1bni s SER 50 CO 0.21 -0.05 1.02 -0.63 0.41 0.00 0.00 173.24 174.20 1bni s ILE 51 N -1.58 4.37 0.00 1.44 -1.09 -1.26 -0.38 121.20 122.70 1bni s ILE 51 Ca 0.06 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 1bni s ILE 51 Cb -0.08 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1bni s ILE 51 CO 0.04 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1bni n GLY 52 N 2.38 0.86 0.00 6.18 0.00 -0.83 -0.25 105.19 113.53 1bni n GLY 52 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1bni n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bni n GLY 53 N -0.04 0.69 3.85 -0.02 0.00 0.02 -2.90 105.19 106.78 1bni n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1bni n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bni s ASP 54 N -1.84 6.65 0.11 1.61 1.01 -1.21 -4.78 116.67 118.22 1bni s ASP 54 Ca 0.00 1.33 -0.31 0.00 0.71 0.00 0.00 52.55 54.28 1bni s ASP 54 Cb 0.00 -2.40 -0.08 0.00 1.01 0.00 0.00 42.92 41.45 1bni s ASP 54 CO 0.00 -0.39 1.47 -0.63 0.21 0.00 0.00 175.17 175.83 1bni s ILE 55 N -2.31 3.12 -0.26 0.77 -1.09 -1.26 -0.15 121.20 120.01 1bni s ILE 55 Ca 0.55 0.76 -0.11 0.00 -2.23 0.00 0.00 60.65 59.62 1bni s ILE 55 Cb -0.10 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1bni s ILE 55 CO 0.26 0.05 0.18 0.12 -1.23 0.00 0.00 174.94 174.32 1bni s PHE 56 N 1.39 3.27 0.20 3.97 5.36 -0.38 -4.82 117.98 126.97 1bni s PHE 56 Ca 0.67 0.18 0.12 0.00 -0.96 0.00 0.00 56.93 56.94 1bni s PHE 56 Cb -0.39 -2.34 0.33 0.00 -0.34 0.00 0.00 43.02 40.29 1bni s PHE 56 CO 0.30 -0.06 1.58 0.77 -1.46 0.00 0.00 175.22 176.36 1bni h SER 57 N 7.96 0.00 -4.85 6.13 0.02 -1.95 -3.39 113.55 117.46 1bni h SER 57 Ca -0.36 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.19 1bni h SER 57 Cb 1.18 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.81 1bni h SER 57 CO 0.60 0.61 -0.62 -3.20 -1.14 0.00 0.00 176.83 173.08 1bni n ASN 58 N -3.63 -6.18 -0.15 3.07 5.15 -1.26 -4.93 115.26 107.32 1bni n ASN 58 Ca -0.01 -0.37 -0.07 0.00 -0.60 0.00 0.00 54.58 53.54 1bni n ASN 58 Cb 0.65 -4.94 0.10 0.00 -0.53 0.00 0.00 39.78 35.06 1bni n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bni h ARG 59 N -1.81 0.92 -0.66 1.20 -0.00 -1.99 -3.04 114.38 109.00 1bni h ARG 59 Ca -0.54 -0.28 0.00 0.00 -0.50 0.00 0.00 59.98 58.67 1bni h ARG 59 Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.24 1bni h ARG 59 CO 0.56 0.92 0.00 0.39 0.00 0.00 0.00 179.97 181.84 1bni n GLU 60 N -4.19 3.51 -3.58 0.04 1.02 -1.26 -4.90 120.64 111.29 1bni n GLU 60 Ca 0.03 -2.24 -0.27 0.00 -0.02 0.00 0.00 57.16 54.66 1bni n GLU 60 Cb 0.33 -1.92 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 1bni n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bni n GLY 61 N 0.67 -0.49 0.23 0.62 0.00 -1.15 -4.91 105.19 100.15 1bni n GLY 61 Ca 0.20 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.42 1bni n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bni h LYS 62 N -1.47 0.00 -6.14 1.61 1.57 -1.91 -3.43 116.57 106.79 1bni h LYS 62 Ca -0.51 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.62 1bni h LYS 62 Cb 1.34 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.55 1bni h LYS 62 CO 0.61 0.19 -0.61 -0.51 -0.57 0.00 0.00 179.45 178.56 1bni s LEU 63 N -8.36 3.75 -0.29 2.94 1.43 -1.26 -4.94 118.68 111.95 1bni s LEU 63 Ca -0.04 0.02 -0.40 0.00 -1.03 0.00 0.00 54.13 52.68 1bni s LEU 63 Cb 0.15 -2.33 -0.15 0.00 0.03 0.00 0.00 46.19 43.89 1bni s LEU 63 CO 0.68 0.22 1.80 -2.65 0.23 0.00 0.00 176.35 176.63 1bni n PRO 64 N 0.82 1.12 -4.01 1.29 -0.02 -1.26 -4.96 135.00 127.98 1bni n PRO 64 Ca -0.11 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 1bni n PRO 64 Cb 0.52 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1bni n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bni s GLY 65 N 3.95 2.09 -0.06 -1.23 0.00 -1.26 -5.07 107.32 105.74 1bni s GLY 65 Ca 1.00 -0.77 -0.22 0.00 0.00 0.00 0.00 44.72 44.73 1bni s GLY 65 CO 0.65 -0.60 0.50 1.25 0.00 0.00 0.00 173.10 174.89 1bni s LYS 66 N -1.53 0.82 0.20 2.90 2.20 -1.26 -5.08 119.74 117.99 1bni s LYS 66 Ca 0.21 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 1bni s LYS 66 Cb -0.12 0.38 -0.09 0.00 -1.51 0.00 0.00 37.83 36.49 1bni s LYS 66 CO 0.12 -0.23 1.41 0.45 -0.36 0.00 0.00 175.35 176.74 1bni s SER 67 N -1.01 6.75 0.00 1.43 0.15 -1.26 -2.55 113.70 117.21 1bni s SER 67 Ca -0.10 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1bni s SER 67 Cb -0.03 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1bni s SER 67 CO 0.06 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1bni n GLY 68 N 2.69 2.94 3.72 9.45 0.00 -1.26 -5.03 105.19 117.70 1bni n GLY 68 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1bni n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bni s ARG 69 N -0.17 4.57 0.19 1.61 3.52 -1.06 -4.97 118.95 122.64 1bni s ARG 69 Ca 0.00 1.60 0.10 0.00 -0.13 0.00 0.00 55.73 57.30 1bni s ARG 69 Cb 0.00 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1bni s ARG 69 CO 0.00 -0.01 -0.22 0.95 -0.81 0.00 0.00 175.30 175.21 1bni s THR 70 N 0.45 2.18 -0.03 4.11 -4.23 -1.26 -4.74 115.64 112.12 1bni s THR 70 Ca 0.52 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1bni s THR 70 Cb -0.26 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 1bni s THR 70 CO 0.31 -0.20 -0.25 0.26 -0.54 0.00 0.00 174.62 174.19 1bni s TRP 71 N -1.85 2.32 0.19 3.99 0.52 -1.26 -1.25 118.94 121.60 1bni s TRP 71 Ca 0.20 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.85 1bni s TRP 71 Cb -0.07 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 1bni s TRP 71 CO 0.09 -0.11 -0.15 1.03 0.02 0.00 0.00 176.95 177.83 1bni s ARG 72 N -0.42 1.31 0.24 4.98 0.52 0.90 -1.25 118.95 125.23 1bni s ARG 72 Ca 0.04 -1.54 0.07 0.00 -0.52 0.00 0.00 55.73 53.79 1bni s ARG 72 Cb -0.11 -1.16 -0.05 0.00 0.52 0.00 0.00 34.95 34.14 1bni s ARG 72 CO 0.01 0.20 -0.11 -1.83 0.02 0.00 0.00 175.30 173.59 1bni s GLU 73 N -3.42 1.42 -0.01 3.54 -1.05 0.78 -0.77 118.70 119.19 1bni s GLU 73 Ca 0.20 -1.67 -0.10 0.00 -0.15 0.00 0.00 54.97 53.26 1bni s GLU 73 Cb -0.02 -1.13 0.01 0.00 -0.44 0.00 0.00 34.13 32.55 1bni s GLU 73 CO 0.07 0.12 0.21 0.00 0.95 0.00 0.00 175.26 176.61 1bni s ALA 74 N -2.99 -0.51 0.26 -0.84 0.00 -0.26 -0.80 121.76 116.62 1bni s ALA 74 Ca 0.25 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 1bni s ALA 74 Cb 0.01 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 1bni s ALA 74 CO 0.09 -0.21 0.89 -0.51 0.00 0.00 0.00 175.76 176.02 1bni s ASP 75 N -1.18 7.41 0.23 0.00 1.11 0.66 -0.91 116.67 123.98 1bni s ASP 75 Ca -0.13 1.80 0.11 0.00 0.18 0.00 0.00 52.55 54.51 1bni s ASP 75 Cb -0.06 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 1bni s ASP 75 CO 0.02 0.06 -0.18 -0.63 1.18 0.00 0.00 175.17 175.62 1bni s ILE 76 N -1.40 2.64 -0.99 0.77 -1.09 -0.61 -4.61 121.20 115.91 1bni s ILE 76 Ca 0.44 -2.08 0.00 0.00 -2.23 0.00 0.00 60.65 56.78 1bni s ILE 76 Cb -0.21 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 1bni s ILE 76 CO 0.26 -0.23 0.00 0.59 -1.23 0.00 0.00 174.94 174.33 1bni n ASN 77 N -0.17 -5.13 -4.75 3.58 3.02 0.59 -4.59 115.26 107.81 1bni n ASN 77 Ca -0.09 0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 1bni n ASN 77 Cb 0.57 -3.78 -0.04 0.00 -0.61 0.00 0.00 39.78 35.93 1bni n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bni s TYR 78 N -1.73 3.47 0.01 3.10 5.04 -1.26 -4.92 117.35 121.05 1bni s TYR 78 Ca 0.00 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 1bni s TYR 78 Cb 0.00 -3.38 0.00 0.00 0.35 0.00 0.00 41.96 38.93 1bni s TYR 78 CO 0.00 -0.96 0.00 0.25 -1.34 0.00 0.00 175.55 173.50 1bni n THR 79 N 1.91 0.12 -3.54 4.34 -2.24 -1.26 -4.95 114.28 108.66 1bni n THR 79 Ca 0.02 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1bni n THR 79 Cb 0.45 -1.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.15 1bni n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bni s SER 80 N -5.10 -0.34 0.00 3.42 1.04 -1.26 -4.73 113.70 106.73 1bni s SER 80 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1bni s SER 80 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1bni s SER 80 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1bni n GLY 81 N -0.27 -0.81 3.76 7.32 0.00 -1.26 -4.91 105.19 109.01 1bni n GLY 81 Ca -0.08 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1bni n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bni s PHE 82 N 0.00 2.45 0.68 1.61 0.08 -1.26 -4.49 117.98 117.05 1bni s PHE 82 Ca 0.00 1.51 -0.17 0.00 0.12 0.00 0.00 56.93 58.40 1bni s PHE 82 Cb 0.00 -3.47 0.01 0.00 -0.57 0.00 0.00 43.02 38.99 1bni s PHE 82 CO 0.00 -2.12 1.24 1.03 -0.10 0.00 0.00 175.22 175.27 1bni s ARG 83 N -3.27 2.41 0.00 0.44 0.52 -1.26 -5.01 118.95 112.78 1bni s ARG 83 Ca 0.76 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 1bni s ARG 83 Cb -0.30 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1bni s ARG 83 CO 0.33 -1.66 0.00 0.27 0.02 0.00 0.00 175.30 174.26 1bni n ASN 84 N -2.23 0.00 -0.44 0.23 0.23 -1.26 -5.03 115.26 106.75 1bni n ASN 84 Ca 0.14 -0.90 0.05 0.00 -0.53 0.00 0.00 54.58 53.34 1bni n ASN 84 Cb 0.49 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.32 1bni n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bni n SER 85 N -2.70 2.77 -4.68 0.53 3.41 -1.26 -4.95 113.62 106.73 1bni n SER 85 Ca 0.00 -2.27 -0.40 0.00 -0.26 0.00 0.00 58.87 55.94 1bni n SER 85 Cb 0.00 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 1bni n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bni s ASP 86 N -1.33 6.84 0.01 4.04 1.01 -1.26 -1.67 116.67 124.30 1bni s ASP 86 Ca 0.21 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.45 1bni s ASP 86 Cb 0.14 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1bni s ASP 86 CO 0.09 -0.23 0.05 -0.13 0.21 0.00 0.00 175.17 175.16 1bni s ARG 87 N 1.51 0.36 -0.10 8.23 1.81 -0.26 -1.57 118.95 128.93 1bni s ARG 87 Ca 0.33 -0.44 -0.03 0.00 -1.72 0.00 0.00 55.73 53.87 1bni s ARG 87 Cb -0.16 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 1bni s ARG 87 CO 0.13 -0.07 0.04 -1.50 -0.68 0.00 0.00 175.30 173.22 1bni s ILE 88 N -1.26 4.63 -0.13 1.52 2.07 -0.09 -1.48 121.20 126.47 1bni s ILE 88 Ca -0.14 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 58.99 1bni s ILE 88 Cb -0.08 -2.97 0.02 0.00 0.13 0.00 0.00 42.46 39.55 1bni s ILE 88 CO 0.00 0.60 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.71 1bni s LEU 89 N -0.88 1.82 -0.02 8.50 1.02 -0.16 -1.10 118.68 127.87 1bni s LEU 89 Ca 0.13 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.80 1bni s LEU 89 Cb -0.12 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.88 1bni s LEU 89 CO 0.03 0.01 -0.06 -0.72 0.02 0.00 0.00 176.35 175.62 1bni s TYR 90 N 1.12 0.68 0.45 0.29 1.13 0.05 -0.34 117.35 120.73 1bni s TYR 90 Ca -0.02 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 1bni s TYR 90 Cb -0.14 -0.51 0.01 0.00 -1.10 0.00 0.00 41.96 40.22 1bni s TYR 90 CO -0.05 -0.08 0.65 -1.54 -2.51 0.00 0.00 175.55 172.02 1bni s SER 91 N 0.22 5.68 0.50 -0.18 1.04 -0.50 -0.07 113.70 120.40 1bni s SER 91 Ca -0.03 0.02 0.21 0.00 0.48 0.00 0.00 55.95 56.64 1bni s SER 91 Cb -0.07 -1.18 1.31 0.00 0.10 0.00 0.00 66.02 66.18 1bni s SER 91 CO -0.00 -0.78 2.08 0.77 0.98 0.00 0.00 173.24 176.29 1bni h SER 92 N 0.43 0.00 -0.51 7.02 4.64 -1.51 -1.71 113.55 121.91 1bni h SER 92 Ca -0.44 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.62 1bni h SER 92 Cb 1.27 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 1bni h SER 92 CO 0.53 0.11 0.10 -0.90 -0.87 0.00 0.00 176.83 175.80 1bni n ASP 93 N -4.07 2.83 -2.81 4.97 5.75 -1.26 -4.97 116.55 116.99 1bni n ASP 93 Ca -0.02 -3.72 -0.20 0.00 -0.01 0.00 0.00 54.79 50.84 1bni n ASP 93 Cb 0.19 -0.68 0.05 0.00 -1.03 0.00 0.00 41.12 39.65 1bni n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bni n TRP 94 N -1.10 -2.00 -3.32 2.11 7.02 -0.64 -5.02 117.44 114.48 1bni n TRP 94 Ca 0.39 0.62 -0.34 0.00 -1.02 0.00 0.00 57.50 57.15 1bni n TRP 94 Cb 1.19 -4.18 -0.06 0.00 -2.42 0.00 0.00 31.31 25.85 1bni n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bni s LEU 95 N -6.00 4.27 -0.08 -0.99 1.43 -1.26 -4.91 118.68 111.14 1bni s LEU 95 Ca 0.36 1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1bni s LEU 95 Cb -0.16 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.61 1bni s LEU 95 CO 0.44 0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 176.38 1bni s ILE 96 N -1.61 0.63 0.20 -0.59 1.01 -0.77 -1.41 121.20 118.66 1bni s ILE 96 Ca 0.42 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 61.09 1bni s ILE 96 Cb -0.14 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1bni s ILE 96 CO 0.20 0.29 -0.17 -0.31 0.00 0.00 0.00 174.94 174.95 1bni s TYR 97 N 1.65 1.84 0.20 3.97 1.51 0.54 0.20 117.35 127.26 1bni s TYR 97 Ca 0.01 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1bni s TYR 97 Cb -0.13 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 1bni s TYR 97 CO -0.05 0.40 -0.04 -1.59 -1.11 0.00 0.00 175.55 173.16 1bni s LYS 98 N -3.27 1.23 0.01 -0.62 0.00 0.64 -0.99 119.74 116.74 1bni s LYS 98 Ca 0.21 -1.59 0.01 0.00 0.00 0.00 0.00 55.97 54.59 1bni s LYS 98 Cb -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 37.83 37.17 1bni s LYS 98 CO 0.08 -0.03 -0.02 -0.08 0.00 0.00 0.00 175.35 175.30 1bni s THR 99 N -3.38 0.15 0.00 3.79 -1.32 -0.55 -1.92 115.64 112.41 1bni s THR 99 Ca 0.24 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1bni s THR 99 Cb 0.04 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.86 1bni s THR 99 CO 0.06 -0.10 0.61 0.35 -2.21 0.00 0.00 174.62 173.33 1bni n THR 100 N 2.64 0.36 -2.50 5.08 -2.24 -1.25 -1.10 114.28 115.27 1bni n THR 100 Ca -0.15 -0.54 -0.17 0.00 -2.27 0.00 0.00 64.05 60.91 1bni n THR 100 Cb 0.58 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1bni n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bni n ASP 101 N -0.18 3.34 -3.62 3.42 5.68 -1.21 -4.61 116.55 119.36 1bni n ASP 101 Ca 0.00 -3.19 -0.21 0.00 -0.50 0.00 0.00 54.79 50.90 1bni n ASP 101 Cb 0.20 -0.46 0.05 0.00 -1.14 0.00 0.00 41.12 39.77 1bni n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bni n HIS 102 N -0.41 -2.06 -1.78 2.11 -0.00 -0.67 -2.74 115.22 109.67 1bni n HIS 102 Ca 0.26 0.88 -0.17 0.00 -0.00 0.00 0.00 57.72 58.70 1bni n HIS 102 Cb 0.78 -4.62 -0.05 0.00 -0.00 0.00 0.00 29.99 26.11 1bni n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bni n TYR 103 N -4.28 -0.28 0.03 1.57 4.01 -1.26 -4.89 117.16 112.05 1bni n TYR 103 Ca -0.26 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.33 1bni n TYR 103 Cb 0.66 -3.06 -0.14 0.00 -0.31 0.00 0.00 39.34 36.49 1bni n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bni h GLN 104 N 0.00 0.17 -3.98 -0.72 4.20 -1.92 -3.47 115.11 109.40 1bni h GLN 104 Ca -0.36 -0.29 -0.17 0.00 0.06 0.00 0.00 58.65 57.89 1bni h GLN 104 Cb 1.16 0.11 -0.21 0.00 0.30 0.00 0.00 27.48 28.84 1bni h GLN 104 CO 0.49 0.96 -0.69 0.95 -0.67 0.00 0.00 178.83 179.87 1bni s THR 105 N -2.61 0.11 0.16 -0.54 -4.23 -1.26 -5.10 115.64 102.17 1bni s THR 105 Ca -0.10 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1bni s THR 105 Cb 0.07 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 1bni s THR 105 CO 0.83 -0.52 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.89 1bni s PHE 106 N -1.55 1.57 -0.08 3.99 0.40 -1.26 -4.35 117.98 116.70 1bni s PHE 106 Ca -0.15 -0.57 -0.00 0.00 -0.60 0.00 0.00 56.93 55.61 1bni s PHE 106 Cb -0.09 -0.78 0.02 0.00 0.51 0.00 0.00 43.02 42.68 1bni s PHE 106 CO -0.01 0.25 -0.04 0.99 0.70 0.00 0.00 175.22 177.11 1bni s THR 107 N -2.56 0.64 0.24 0.64 2.01 -0.81 -4.94 115.64 110.87 1bni s THR 107 Ca 0.16 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1bni s THR 107 Cb -0.03 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.66 1bni s THR 107 CO 0.05 0.29 1.49 -0.75 -0.69 0.00 0.00 174.62 175.00 1bni s LYS 108 N 1.63 4.23 0.00 4.92 2.20 -1.26 -0.26 119.74 131.20 1bni s LYS 108 Ca 0.01 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1bni s LYS 108 Cb -0.13 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1bni s LYS 108 CO -0.05 -0.48 0.15 0.44 -0.36 0.00 0.00 175.35 175.05 1bni n ILE 109 N 2.57 0.00 -1.99 5.43 -5.35 0.52 -4.88 119.36 115.66 1bni n ILE 109 Ca 0.08 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1bni n ILE 109 Cb 0.39 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1bni n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33