#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr n GLN 2 N 0.00 -1.07 -3.58 0.00 6.02 -1.26 -4.69 117.38 112.81 1bnr n GLN 2 Ca 0.00 0.70 -0.38 0.00 -0.01 0.00 0.00 57.00 57.31 1bnr n GLN 2 Cb 0.00 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 1bnr n GLN 2 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1bnr s VAL 3 N -0.88 5.13 -0.68 5.09 -7.23 -1.26 -5.04 120.40 115.54 1bnr s VAL 3 Ca 0.00 0.70 0.04 0.00 -1.81 0.00 0.00 61.98 60.92 1bnr s VAL 3 Cb 0.00 -3.64 0.16 0.00 0.56 0.00 0.00 36.38 33.46 1bnr s VAL 3 CO 0.00 0.59 0.46 -0.63 -0.31 0.00 0.00 175.10 175.21 1bnr s ILE 4 N -1.06 2.92 -0.27 -0.62 1.09 -1.26 -4.86 121.20 117.14 1bnr s ILE 4 Ca 0.22 -4.04 0.21 0.00 -1.10 0.00 0.00 60.65 55.93 1bnr s ILE 4 Cb -0.16 -2.93 0.50 0.00 -1.06 0.00 0.00 42.46 38.81 1bnr s ILE 4 CO 0.11 -0.96 1.09 -0.46 -0.10 0.00 0.00 174.94 174.62 1bnr n ASN 5 N 2.25 1.85 -1.28 3.58 6.94 -1.26 -4.50 115.26 122.84 1bnr n ASN 5 Ca 0.16 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 1bnr n ASN 5 Cb 0.34 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 1bnr n ASN 5 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1bnr n THR 6 N -0.52 0.00 -0.04 5.53 -2.24 -1.26 -1.82 114.28 113.93 1bnr n THR 6 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1bnr n THR 6 Cb 0.81 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 1bnr n THR 6 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1bnr h PHE 7 N 0.81 -0.03 -0.26 4.78 0.04 -1.96 -1.47 116.94 118.85 1bnr h PHE 7 Ca 0.00 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1bnr h PHE 7 Cb 0.00 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1bnr h PHE 7 CO 0.00 0.68 -0.53 -0.44 -0.60 0.00 0.00 178.31 177.41 1bnr h ASP 8 N -0.91 0.92 0.08 2.17 5.19 -1.98 -0.58 116.42 121.31 1bnr h ASP 8 Ca -0.00 -0.55 -0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1bnr h ASP 8 Cb 0.72 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1bnr h ASP 8 CO 0.01 1.29 -0.04 1.23 -3.12 0.00 0.00 179.24 178.61 1bnr h GLY 9 N 0.58 -0.12 0.98 2.75 0.00 -1.96 -1.04 103.07 104.26 1bnr h GLY 9 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1bnr h GLY 9 CO 0.12 -0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.69 1bnr h VAL 10 N -0.48 1.23 -0.99 4.60 2.07 -1.33 -1.48 116.25 119.87 1bnr h VAL 10 Ca -0.01 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1bnr h VAL 10 Cb 0.40 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1bnr h VAL 10 CO 0.02 0.29 0.64 0.00 0.02 0.00 0.00 177.57 178.54 1bnr h ALA 11 N 1.01 1.39 0.49 1.67 0.00 -1.08 0.66 119.26 123.41 1bnr h ALA 11 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1bnr h ALA 11 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bnr h ALA 11 CO -0.00 0.41 -0.23 -0.44 0.00 0.00 0.00 179.25 178.98 1bnr h ASP 12 N 1.14 -0.55 -0.11 0.00 3.32 -0.56 -1.43 116.42 118.23 1bnr h ASP 12 Ca 0.44 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.49 1bnr h ASP 12 Cb 0.20 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1bnr h ASP 12 CO -0.18 -0.32 0.14 0.22 -1.72 0.00 0.00 179.24 177.37 1bnr h TYR 13 N -0.76 0.00 0.32 4.55 5.03 -0.71 0.43 116.97 125.84 1bnr h TYR 13 Ca -0.07 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1bnr h TYR 13 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1bnr h TYR 13 CO -0.02 0.00 -0.15 -0.07 -1.32 0.00 0.00 178.16 176.60 1bnr h LEU 14 N 0.00 -0.37 0.00 2.82 3.38 -0.10 -0.75 115.31 120.30 1bnr h LEU 14 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bnr h LEU 14 Cb 0.33 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bnr h LEU 14 CO -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.48 1bnr n GLN 15 N -4.35 0.25 -0.00 1.13 6.02 -0.61 0.39 117.38 120.20 1bnr n GLN 15 Ca -0.05 0.12 -0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1bnr n GLN 15 Cb 0.17 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.93 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bnr n THR 16 N -1.27 0.01 1.21 5.09 -1.04 0.15 -4.54 114.28 113.88 1bnr n THR 16 Ca 0.08 0.50 0.13 0.00 -2.04 0.00 0.00 64.05 62.72 1bnr n THR 16 Cb 0.13 -1.51 0.37 0.00 -1.82 0.00 0.00 70.33 67.50 1bnr n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bnr n TYR 17 N -2.31 0.00 -3.36 -1.42 4.01 -0.30 -4.96 117.16 108.82 1bnr n TYR 17 Ca -0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1bnr n TYR 17 Cb 0.00 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 38.95 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bnr n HIS 18 N -0.84 -2.32 0.00 -0.72 8.25 0.16 -4.98 115.22 114.78 1bnr n HIS 18 Ca 0.11 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1bnr n HIS 18 Cb 0.34 -4.17 0.00 0.00 1.12 0.00 0.00 29.99 27.28 1bnr n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnr n LYS 19 N -3.55 0.00 -1.42 -0.41 2.85 -1.24 -5.05 118.16 109.33 1bnr n LYS 19 Ca -0.12 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.74 1bnr n LYS 19 Cb 0.63 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.02 1bnr n LYS 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnr n LEU 20 N 0.00 -0.49 -4.39 -5.58 4.77 -1.26 -4.67 117.00 105.38 1bnr n LEU 20 Ca 0.00 0.84 -0.32 0.00 -0.03 0.00 0.00 56.01 56.49 1bnr n LEU 20 Cb 0.00 -1.08 0.14 0.00 -2.33 0.00 0.00 43.42 40.16 1bnr n LEU 20 CO 0.00 -3.24 -0.15 -2.65 -1.33 0.00 0.00 177.39 170.02 1bnr n PRO 21 N 0.62 -0.78 0.00 3.23 -0.02 -1.26 -4.81 135.00 131.97 1bnr n PRO 21 Ca 0.11 -0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.46 1bnr n PRO 21 Cb 0.42 -1.85 0.32 0.00 -0.02 0.00 0.00 33.50 32.37 1bnr n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bnr n ASP 22 N -1.75 0.00 -0.78 2.55 9.92 -1.26 -1.61 116.55 123.63 1bnr n ASP 22 Ca 0.05 0.25 0.09 0.00 -0.53 0.00 0.00 54.79 54.65 1bnr n ASP 22 Cb 0.56 -0.37 0.27 0.00 -0.64 0.00 0.00 41.12 40.94 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1bnr n ASN 23 N -1.37 2.29 -4.27 -2.24 0.23 -1.26 -4.62 115.26 104.02 1bnr n ASN 23 Ca 0.05 -1.89 -0.43 0.00 -0.53 0.00 0.00 54.58 51.78 1bnr n ASN 23 Cb 0.13 -0.22 -0.03 0.00 -2.08 0.00 0.00 39.78 37.58 1bnr n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1bnr s TYR 24 N -1.56 3.99 -0.19 -2.53 2.02 -0.63 -0.43 117.35 118.02 1bnr s TYR 24 Ca 0.32 -2.60 -0.15 0.00 -0.37 0.00 0.00 57.07 54.28 1bnr s TYR 24 Cb 0.17 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.04 1bnr s TYR 24 CO 0.24 -0.91 0.34 0.96 -1.57 0.00 0.00 175.55 174.61 1bnr s ILE 25 N -0.83 5.25 0.97 2.71 -4.36 0.21 -4.37 121.20 120.78 1bnr s ILE 25 Ca 0.26 0.59 -0.14 0.00 -0.26 0.00 0.00 60.65 61.09 1bnr s ILE 25 Cb -0.10 -3.67 0.10 0.00 1.25 0.00 0.00 42.46 40.03 1bnr s ILE 25 CO -0.09 0.31 0.02 0.35 0.24 0.00 0.00 174.94 175.77 1bnr n THR 26 N 4.10 0.00 -0.05 8.37 -2.24 -1.22 -3.80 114.28 119.44 1bnr n THR 26 Ca -0.10 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1bnr n THR 26 Cb 0.51 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1bnr n THR 26 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bnr h LYS 27 N -2.32 0.34 -0.90 -0.78 1.57 -1.91 -2.83 116.57 109.74 1bnr h LYS 27 Ca -0.28 -0.19 0.17 0.00 -1.87 0.00 0.00 60.65 58.47 1bnr h LYS 27 Cb 0.85 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 1bnr h LYS 27 CO 0.18 0.76 0.58 1.03 -0.57 0.00 0.00 179.45 181.43 1bnr h SER 28 N -0.06 0.58 -0.87 0.86 0.87 -1.97 0.34 113.55 113.30 1bnr h SER 28 Ca 0.02 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1bnr h SER 28 Cb 0.72 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 1bnr h SER 28 CO 0.04 0.27 0.55 -0.33 -0.53 0.00 0.00 176.83 176.83 1bnr h GLU 29 N 0.60 1.17 -0.16 2.24 4.39 -1.81 -0.46 114.58 120.54 1bnr h GLU 29 Ca 0.46 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.98 1bnr h GLU 29 Cb 0.88 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1bnr h GLU 29 CO -0.21 0.79 -0.32 0.00 -1.16 0.00 0.00 179.01 178.11 1bnr h ALA 30 N 1.30 1.16 -0.66 3.43 0.00 -0.21 -2.22 119.26 122.06 1bnr h ALA 30 Ca 0.32 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1bnr h ALA 30 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1bnr h ALA 30 CO -0.06 0.55 0.31 1.96 0.00 0.00 0.00 179.25 182.00 1bnr h GLN 31 N 0.28 0.95 -0.72 0.00 4.20 0.31 -1.16 115.11 118.96 1bnr h GLN 31 Ca 0.04 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.70 1bnr h GLN 31 Cb 0.70 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1bnr h GLN 31 CO 0.05 0.74 0.48 0.00 -0.67 0.00 0.00 178.83 179.43 1bnr h ALA 32 N 1.40 1.81 0.00 3.87 0.00 -0.56 0.63 119.26 126.40 1bnr h ALA 32 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bnr h ALA 32 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bnr h ALA 32 CO -0.03 0.05 -0.11 -0.07 0.00 0.00 0.00 179.25 179.09 1bnr h LEU 33 N 0.66 0.00 0.00 0.00 4.07 -1.23 -3.47 115.31 115.34 1bnr h LEU 33 Ca 0.33 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1bnr h LEU 33 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1bnr h LEU 33 CO -0.11 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.86 1bnr n GLY 34 N 1.13 0.98 3.35 0.83 0.00 0.21 -4.98 105.19 106.72 1bnr n GLY 34 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1bnr n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bnr s TRP 35 N -0.97 2.99 -0.43 1.61 -0.00 -0.56 -4.78 118.94 116.80 1bnr s TRP 35 Ca 0.00 -0.78 -0.22 0.00 -0.00 0.00 0.00 56.10 55.10 1bnr s TRP 35 Cb 0.00 -2.12 0.02 0.00 -0.00 0.00 0.00 33.47 31.37 1bnr s TRP 35 CO 0.00 -0.47 0.70 0.08 -0.00 0.00 0.00 176.95 177.25 1bnr s VAL 36 N 1.43 4.77 0.08 5.86 1.01 -1.26 -4.06 120.40 128.23 1bnr s VAL 36 Ca 0.05 0.30 0.32 0.00 0.00 0.00 0.00 61.98 62.65 1bnr s VAL 36 Cb -0.14 -4.23 0.33 0.00 0.00 0.00 0.00 36.38 32.34 1bnr s VAL 36 CO -0.01 -0.60 1.96 0.00 0.00 0.00 0.00 175.10 176.45 1bnr h ALA 37 N 8.85 1.00 0.02 5.51 0.00 -1.97 0.16 119.26 132.83 1bnr h ALA 37 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1bnr h ALA 37 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bnr h ALA 37 CO 0.91 0.00 -0.15 0.77 0.00 0.00 0.00 179.25 180.78 1bnr h SER 38 N 0.00 0.11 0.64 0.00 0.02 -2.05 -3.27 113.55 109.01 1bnr h SER 38 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1bnr h SER 38 Cb 0.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1bnr h SER 38 CO 0.00 0.98 -0.16 0.29 -1.14 0.00 0.00 176.83 176.80 1bnr n LYS 39 N -4.55 0.24 -3.16 3.45 4.76 -1.02 -4.98 118.16 112.89 1bnr n LYS 39 Ca -0.10 -0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.09 1bnr n LYS 39 Cb 0.50 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 1bnr n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bnr n GLY 40 N 1.42 -0.88 2.65 0.72 0.00 0.54 -4.84 105.19 104.80 1bnr n GLY 40 Ca 0.09 0.84 -0.09 0.00 0.00 0.00 0.00 46.02 46.87 1bnr n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnr n ASN 41 N 0.24 2.10 0.08 1.61 6.94 -1.25 -3.99 115.26 120.98 1bnr n ASN 41 Ca -0.00 -2.66 -0.13 0.00 -0.02 0.00 0.00 54.58 51.76 1bnr n ASN 41 Cb 0.49 -0.49 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bnr h LEU 42 N 2.76 -0.10 -0.19 -4.53 5.85 -1.89 -0.14 115.31 117.06 1bnr h LEU 42 Ca -0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1bnr h LEU 42 Cb 1.21 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1bnr h LEU 42 CO 0.45 -0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 1bnr n ALA 43 N -2.15 1.19 -0.04 1.25 0.00 -1.26 0.35 120.51 119.85 1bnr n ALA 43 Ca -0.08 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1bnr n ALA 43 Cb 0.08 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 1bnr n ALA 43 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bnr n ASP 44 N -1.62 1.21 -0.06 0.00 -0.08 -0.18 -4.29 116.55 111.53 1bnr n ASP 44 Ca 0.01 0.23 -0.13 0.00 -1.51 0.00 0.00 54.79 53.38 1bnr n ASP 44 Cb 0.05 -0.15 -0.04 0.00 2.34 0.00 0.00 41.12 43.31 1bnr n ASP 44 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1bnr n VAL 45 N -3.15 0.74 -3.40 5.18 0.24 -0.55 -4.84 118.33 112.55 1bnr n VAL 45 Ca -0.27 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.60 1bnr n VAL 45 Cb 1.06 -1.69 -0.08 0.00 -1.47 0.00 0.00 33.84 31.66 1bnr n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnr n ALA 46 N -3.60 3.68 -0.52 2.33 0.00 0.15 -5.03 120.51 117.54 1bnr n ALA 46 Ca -0.25 -4.46 -0.18 0.00 0.00 0.00 0.00 53.44 48.56 1bnr n ALA 46 Cb 0.66 -0.89 0.28 0.00 0.00 0.00 0.00 19.45 19.50 1bnr n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bnr n PRO 47 N 1.05 -4.31 -4.16 0.00 -0.04 -0.66 -3.97 135.00 122.92 1bnr n PRO 47 Ca 0.28 -1.54 -0.40 0.00 -0.04 0.00 0.00 63.50 61.79 1bnr n PRO 47 Cb 0.43 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 1bnr n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bnr n GLY 48 N -5.41 -0.56 3.11 0.55 0.00 -1.26 -4.93 105.19 96.69 1bnr n GLY 48 Ca 0.14 0.27 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 1bnr n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnr s LYS 49 N -7.37 0.65 -0.02 1.61 -0.14 -1.25 -5.07 119.74 108.15 1bnr s LYS 49 Ca 0.30 -1.18 0.05 0.00 -1.36 0.00 0.00 55.97 53.77 1bnr s LYS 49 Cb -0.16 0.23 -0.01 0.00 -1.68 0.00 0.00 37.83 36.21 1bnr s LYS 49 CO 0.98 -0.14 -0.16 -1.12 -0.76 0.00 0.00 175.35 174.15 1bnr s SER 50 N -2.91 1.89 -0.45 2.83 0.01 0.42 -4.98 113.70 110.51 1bnr s SER 50 Ca 0.07 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 1bnr s SER 50 Cb 0.07 -0.31 0.07 0.00 0.21 0.00 0.00 66.02 66.07 1bnr s SER 50 CO -0.10 0.18 0.35 -0.63 0.41 0.00 0.00 173.24 173.44 1bnr s ILE 51 N -0.23 4.91 0.39 1.44 -1.09 -1.25 0.68 121.20 126.04 1bnr s ILE 51 Ca 0.03 -1.15 -0.16 0.00 -2.23 0.00 0.00 60.65 57.14 1bnr s ILE 51 Cb -0.08 -3.94 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 1bnr s ILE 51 CO 0.00 -0.54 0.80 -0.83 -1.23 0.00 0.00 174.94 173.14 1bnr s GLY 52 N 2.41 0.39 0.00 6.18 0.00 -1.25 -0.24 107.32 114.82 1bnr s GLY 52 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1bnr s GLY 52 CO 0.05 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1bnr n GLY 53 N -0.54 0.94 3.95 0.20 0.00 -0.44 -3.40 105.19 105.90 1bnr n GLY 53 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1bnr n GLY 53 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bnr s ASP 54 N -2.92 5.97 0.91 1.61 1.47 -1.24 -4.88 116.67 117.59 1bnr s ASP 54 Ca 0.00 0.33 -0.11 0.00 1.18 0.00 0.00 52.55 53.96 1bnr s ASP 54 Cb 0.00 -1.68 0.13 0.00 -0.34 0.00 0.00 42.92 41.04 1bnr s ASP 54 CO 0.00 -0.58 1.12 -0.38 0.68 0.00 0.00 175.17 176.01 1bnr n ILE 55 N -1.99 0.28 -3.97 2.11 5.41 -1.26 -1.61 119.36 118.33 1bnr n ILE 55 Ca -0.00 -0.04 -0.33 0.00 1.00 0.00 0.00 62.75 63.38 1bnr n ILE 55 Cb 0.57 -1.01 -0.06 0.00 -0.71 0.00 0.00 39.64 38.44 1bnr n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1bnr s PHE 56 N -2.55 3.46 0.00 1.39 5.36 -0.07 -4.32 117.98 121.24 1bnr s PHE 56 Ca 0.67 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1bnr s PHE 56 Cb -0.24 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1bnr s PHE 56 CO 0.57 0.62 0.14 0.43 -1.46 0.00 0.00 175.22 175.52 1bnr n SER 57 N 1.03 0.00 -0.00 6.13 7.64 -1.26 -4.60 113.62 122.56 1bnr n SER 57 Ca -0.12 0.14 -0.00 0.00 1.01 0.00 0.00 58.87 59.90 1bnr n SER 57 Cb 0.53 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1bnr n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bnr n ASN 58 N -0.26 -3.02 -0.07 6.43 2.85 -1.26 -4.93 115.26 115.01 1bnr n ASN 58 Ca 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 1bnr n ASN 58 Cb 0.00 -0.52 -0.01 0.00 1.24 0.00 0.00 39.78 40.49 1bnr n ASN 58 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1bnr h ARG 59 N 0.60 -0.18 0.00 1.20 9.65 -2.04 -3.02 114.38 120.59 1bnr h ARG 59 Ca -0.00 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1bnr h ARG 59 Cb 0.01 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1bnr h ARG 59 CO 0.00 -0.12 -0.02 1.49 2.80 0.00 0.00 179.97 184.12 1bnr h GLU 60 N -0.19 0.01 0.00 0.20 4.81 -2.02 -3.49 114.58 113.90 1bnr h GLU 60 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1bnr h GLU 60 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1bnr h GLU 60 CO -0.39 1.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.30 1bnr n GLY 61 N 1.61 0.71 0.02 1.92 0.00 -1.14 -5.03 105.19 103.27 1bnr n GLY 61 Ca -0.10 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.22 1bnr n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnr n LYS 62 N 0.00 0.15 -3.60 1.61 4.76 -1.26 -4.89 118.16 114.93 1bnr n LYS 62 Ca 0.00 -0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.08 1bnr n LYS 62 Cb 0.00 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnr s LEU 63 N -3.46 4.38 -1.00 -0.35 1.43 -1.26 -4.94 118.68 113.47 1bnr s LEU 63 Ca 0.06 0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 53.69 1bnr s LEU 63 Cb 0.16 -2.83 -0.16 0.00 0.03 0.00 0.00 46.19 43.39 1bnr s LEU 63 CO 0.80 0.22 2.15 -2.16 0.23 0.00 0.00 176.35 177.59 1bnr s PRO 64 N -1.70 1.64 0.06 1.29 0.04 -1.26 -4.87 135.00 130.20 1bnr s PRO 64 Ca 0.30 -0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.08 1bnr s PRO 64 Cb -0.14 -4.98 -0.03 0.00 0.04 0.00 0.00 34.50 29.39 1bnr s PRO 64 CO 0.16 -4.76 -0.06 0.20 0.04 0.00 0.00 177.00 172.58 1bnr s GLY 65 N 8.82 0.56 0.42 0.56 0.00 -1.26 -5.09 107.32 111.33 1bnr s GLY 65 Ca 0.81 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 44.60 1bnr s GLY 65 CO 0.12 -1.07 0.58 0.54 0.00 0.00 0.00 173.10 173.28 1bnr s LYS 66 N -2.58 2.89 0.22 2.90 -0.14 -1.26 -4.99 119.74 116.79 1bnr s LYS 66 Ca -0.02 -1.02 -0.32 0.00 -1.36 0.00 0.00 55.97 53.26 1bnr s LYS 66 Cb -0.03 -2.71 -0.12 0.00 -1.68 0.00 0.00 37.83 33.29 1bnr s LYS 66 CO -0.03 -0.24 1.70 -1.12 -0.76 0.00 0.00 175.35 174.90 1bnr s SER 67 N -4.30 6.38 0.00 2.83 0.01 -1.26 -1.51 113.70 115.85 1bnr s SER 67 Ca 0.52 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.66 1bnr s SER 67 Cb -0.10 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1bnr s SER 67 CO 0.34 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1bnr n GLY 68 N 3.64 2.93 3.72 3.44 0.00 -1.26 -5.02 105.19 112.63 1bnr n GLY 68 Ca 0.14 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1bnr n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bnr s ARG 69 N 0.00 4.60 0.63 1.61 3.52 -0.57 -5.05 118.95 123.69 1bnr s ARG 69 Ca 0.00 1.45 0.08 0.00 -0.13 0.00 0.00 55.73 57.13 1bnr s ARG 69 Cb 0.00 -3.43 0.11 0.00 -1.56 0.00 0.00 34.95 30.07 1bnr s ARG 69 CO 0.00 0.03 0.86 0.99 -0.81 0.00 0.00 175.30 176.38 1bnr s THR 70 N 0.66 2.00 0.28 4.11 2.01 -1.26 -4.65 115.64 118.79 1bnr s THR 70 Ca 0.51 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1bnr s THR 70 Cb -0.22 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1bnr s THR 70 CO 0.29 0.00 0.07 0.26 -0.69 0.00 0.00 174.62 174.55 1bnr s TRP 71 N -2.80 1.68 -0.05 4.92 0.52 -1.26 -4.65 118.94 117.30 1bnr s TRP 71 Ca 0.64 -1.07 0.06 0.00 0.02 0.00 0.00 56.10 55.76 1bnr s TRP 71 Cb -0.05 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 1bnr s TRP 71 CO 0.41 -0.18 -0.24 1.03 0.02 0.00 0.00 176.95 177.99 1bnr s ARG 72 N -3.96 2.34 0.31 4.98 1.81 0.06 -0.89 118.95 123.59 1bnr s ARG 72 Ca 0.36 -0.88 0.11 0.00 -1.72 0.00 0.00 55.73 53.60 1bnr s ARG 72 Cb 0.08 -2.05 -0.05 0.00 -0.45 0.00 0.00 34.95 32.47 1bnr s ARG 72 CO 0.13 0.41 -0.13 -1.83 -0.68 0.00 0.00 175.30 173.21 1bnr s GLU 73 N -0.27 1.82 -0.06 3.54 -1.05 -0.63 0.03 118.70 122.09 1bnr s GLU 73 Ca 0.00 -1.79 -0.19 0.00 -0.15 0.00 0.00 54.97 52.84 1bnr s GLU 73 Cb -0.12 -1.80 0.04 0.00 -0.44 0.00 0.00 34.13 31.80 1bnr s GLU 73 CO 0.02 0.25 0.43 0.00 0.95 0.00 0.00 175.26 176.92 1bnr s ALA 74 N -2.53 -1.10 0.32 -0.84 0.00 0.17 -1.33 121.76 116.44 1bnr s ALA 74 Ca 0.31 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 1bnr s ALA 74 Cb -0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 1bnr s ALA 74 CO 0.16 -0.28 1.17 -0.51 0.00 0.00 0.00 175.76 176.31 1bnr s ASP 75 N -0.96 6.99 -0.04 0.00 1.11 0.67 -1.16 116.67 123.29 1bnr s ASP 75 Ca -0.10 2.40 0.01 0.00 0.18 0.00 0.00 52.55 55.04 1bnr s ASP 75 Cb -0.03 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.34 1bnr s ASP 75 CO 0.05 -0.35 -0.05 -0.63 1.18 0.00 0.00 175.17 175.37 1bnr s ILE 76 N -1.21 0.56 -0.49 0.77 -1.09 -0.24 -4.70 121.20 114.81 1bnr s ILE 76 Ca 0.48 -0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.72 1bnr s ILE 76 Cb -0.34 -0.57 0.00 0.00 -1.58 0.00 0.00 42.46 39.97 1bnr s ILE 76 CO 0.44 0.22 0.32 0.59 -1.23 0.00 0.00 174.94 175.28 1bnr n ASN 77 N 3.90 -3.32 -4.75 3.58 3.02 -0.76 -4.08 115.26 112.86 1bnr n ASN 77 Ca -0.24 -0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 53.75 1bnr n ASN 77 Cb 0.51 -2.02 -0.03 0.00 -0.61 0.00 0.00 39.78 37.63 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bnr s TYR 78 N -2.96 3.24 0.00 3.10 6.14 -1.26 -4.89 117.35 120.72 1bnr s TYR 78 Ca 0.16 1.34 0.00 0.00 0.64 0.00 0.00 57.07 59.21 1bnr s TYR 78 Cb -0.07 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 38.73 1bnr s TYR 78 CO 0.20 -1.69 0.00 0.25 0.64 0.00 0.00 175.55 174.95 1bnr n THR 79 N 1.89 0.00 -3.83 4.34 -2.24 -1.26 -5.08 114.28 108.10 1bnr n THR 79 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1bnr n THR 79 Cb 0.43 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1bnr n THR 79 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bnr s SER 80 N 0.83 -0.04 -0.23 3.42 0.15 -1.26 -4.87 113.70 111.70 1bnr s SER 80 Ca 0.00 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 1bnr s SER 80 Cb 0.00 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1bnr s SER 80 CO 0.00 -0.73 0.24 0.61 1.20 0.00 0.00 173.24 174.57 1bnr n GLY 81 N -0.66 -0.75 1.31 9.45 0.00 -1.26 -4.85 105.19 108.43 1bnr n GLY 81 Ca -0.03 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.32 1bnr n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bnr n PHE 82 N -0.96 -3.22 -0.71 1.61 3.01 -1.26 -4.76 117.46 111.17 1bnr n PHE 82 Ca 0.02 1.74 -0.31 0.00 1.01 0.00 0.00 57.45 59.91 1bnr n PHE 82 Cb 0.38 -2.93 0.14 0.00 -0.01 0.00 0.00 39.48 37.05 1bnr n PHE 82 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bnr n ARG 83 N -4.06 -1.42 -2.30 -1.08 3.00 -1.26 -4.92 116.66 104.62 1bnr n ARG 83 Ca -0.06 -0.41 -0.10 0.00 -0.01 0.00 0.00 57.85 57.27 1bnr n ARG 83 Cb 0.61 -1.51 0.01 0.00 0.00 0.00 0.00 32.46 31.57 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1bnr n ASN 84 N -0.52 1.53 -0.12 0.55 6.94 -1.26 -5.00 115.26 117.38 1bnr n ASN 84 Ca 0.01 -1.72 0.09 0.00 -0.02 0.00 0.00 54.58 52.93 1bnr n ASN 84 Cb 0.59 -0.04 -0.07 0.00 -2.36 0.00 0.00 39.78 37.90 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1bnr n SER 85 N -2.08 1.10 -4.71 0.53 7.64 -1.26 -4.91 113.62 109.92 1bnr n SER 85 Ca 0.00 -1.05 -0.38 0.00 1.01 0.00 0.00 58.87 58.45 1bnr n SER 85 Cb 0.25 0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bnr s ASP 86 N -2.52 6.68 -0.03 6.43 1.11 -1.26 0.21 116.67 127.29 1bnr s ASP 86 Ca 0.09 0.82 -0.28 0.00 0.18 0.00 0.00 52.55 53.36 1bnr s ASP 86 Cb 0.14 -2.30 0.06 0.00 1.07 0.00 0.00 42.92 41.89 1bnr s ASP 86 CO 0.66 -0.05 0.61 -0.13 1.18 0.00 0.00 175.17 177.43 1bnr s ARG 87 N 0.88 1.01 0.09 8.23 0.52 -0.65 -1.07 118.95 127.95 1bnr s ARG 87 Ca 0.27 0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 1bnr s ARG 87 Cb -0.15 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 1bnr s ARG 87 CO 0.11 -0.32 0.00 -1.50 0.02 0.00 0.00 175.30 173.61 1bnr s ILE 88 N -1.38 4.03 -0.28 1.52 2.07 -0.31 -1.35 121.20 125.51 1bnr s ILE 88 Ca -0.11 -0.97 0.02 0.00 -1.41 0.00 0.00 60.65 58.19 1bnr s ILE 88 Cb -0.01 -2.92 0.07 0.00 0.13 0.00 0.00 42.46 39.74 1bnr s ILE 88 CO 0.08 0.13 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.43 1bnr s LEU 89 N -2.29 3.45 -0.10 8.50 2.01 -0.40 -0.66 118.68 129.20 1bnr s LEU 89 Ca 0.26 -1.53 -0.05 0.00 0.01 0.00 0.00 54.13 52.81 1bnr s LEU 89 Cb -0.12 -1.42 -0.04 0.00 0.01 0.00 0.00 46.19 44.62 1bnr s LEU 89 CO 0.18 -0.26 0.11 -0.72 1.01 0.00 0.00 176.35 176.67 1bnr s TYR 90 N 1.17 3.47 0.48 0.29 1.13 0.10 -1.53 117.35 122.47 1bnr s TYR 90 Ca -0.02 0.42 0.07 0.00 -1.41 0.00 0.00 57.07 56.13 1bnr s TYR 90 Cb -0.19 -1.88 0.02 0.00 -1.10 0.00 0.00 41.96 38.80 1bnr s TYR 90 CO -0.07 0.66 0.48 0.45 -2.51 0.00 0.00 175.55 174.55 1bnr s SER 91 N -1.11 4.97 0.56 -0.18 0.15 -0.11 -0.76 113.70 117.24 1bnr s SER 91 Ca 0.16 -0.89 0.34 0.00 0.70 0.00 0.00 55.95 56.25 1bnr s SER 91 Cb -0.12 -0.12 1.63 0.00 -1.71 0.00 0.00 66.02 65.71 1bnr s SER 91 CO 0.05 -0.93 2.10 0.77 1.20 0.00 0.00 173.24 176.44 1bnr h SER 92 N 0.76 0.00 -0.31 5.45 4.64 -1.91 -0.56 113.55 121.62 1bnr h SER 92 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1bnr h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bnr h SER 92 CO 0.53 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 1bnr n ASP 93 N -3.28 2.74 -1.52 4.97 5.75 -1.26 -4.86 116.55 119.09 1bnr n ASP 93 Ca -0.01 -2.27 -0.13 0.00 -0.01 0.00 0.00 54.79 52.36 1bnr n ASP 93 Cb 0.23 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1bnr n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bnr n TRP 94 N 0.40 -0.62 -2.98 2.11 5.03 -0.22 -4.97 117.44 116.19 1bnr n TRP 94 Ca 0.13 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.24 1bnr n TRP 94 Cb 0.55 -2.90 -0.05 0.00 -1.03 0.00 0.00 31.31 27.88 1bnr n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1bnr s LEU 95 N -3.83 4.09 -0.30 -0.99 1.43 -1.25 -4.79 118.68 113.03 1bnr s LEU 95 Ca 0.00 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1bnr s LEU 95 Cb 0.00 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1bnr s LEU 95 CO 0.00 -0.55 0.07 -0.63 0.23 0.00 0.00 176.35 175.48 1bnr s ILE 96 N 2.83 3.81 -0.28 -0.59 1.01 -0.85 -0.94 121.20 126.19 1bnr s ILE 96 Ca 0.31 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1bnr s ILE 96 Cb -0.15 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1bnr s ILE 96 CO 0.11 0.02 0.00 -0.31 0.00 0.00 0.00 174.94 174.76 1bnr s TYR 97 N 1.46 3.16 -0.07 3.97 1.51 -0.58 -1.64 117.35 125.16 1bnr s TYR 97 Ca 0.01 -1.51 -0.20 0.00 -1.01 0.00 0.00 57.07 54.36 1bnr s TYR 97 Cb -0.18 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1bnr s TYR 97 CO 0.02 -0.72 0.58 -1.59 -1.11 0.00 0.00 175.55 172.73 1bnr s LYS 98 N 1.35 4.36 -0.17 -0.62 0.00 -0.09 -1.28 119.74 123.29 1bnr s LYS 98 Ca -0.01 0.67 -0.01 0.00 0.00 0.00 0.00 55.97 56.63 1bnr s LYS 98 Cb -0.18 -3.41 -0.00 0.00 0.00 0.00 0.00 37.83 34.24 1bnr s LYS 98 CO -0.01 0.20 -0.13 -0.08 0.00 0.00 0.00 175.35 175.33 1bnr s THR 99 N 0.41 2.79 -0.35 3.79 -1.32 -0.45 -1.16 115.64 119.35 1bnr s THR 99 Ca 0.31 -0.72 0.07 0.00 -1.21 0.00 0.00 61.69 60.15 1bnr s THR 99 Cb -0.17 -2.20 0.55 0.00 -1.51 0.00 0.00 72.50 69.17 1bnr s THR 99 CO 0.15 0.50 1.61 0.35 -2.21 0.00 0.00 174.62 175.02 1bnr n THR 100 N 4.26 2.78 -1.96 5.08 -2.24 -1.25 -1.63 114.28 119.32 1bnr n THR 100 Ca -0.19 -2.56 0.00 0.00 -2.27 0.00 0.00 64.05 59.03 1bnr n THR 100 Cb 0.51 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1bnr n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bnr n ASP 101 N -1.12 0.00 -1.54 3.42 5.75 -1.23 -4.77 116.55 117.06 1bnr n ASP 101 Ca 0.42 -1.46 -0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1bnr n ASP 101 Cb 1.22 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1bnr n HIS 102 N 0.00 -0.08 -1.59 2.11 -0.00 0.13 -3.69 115.22 112.10 1bnr n HIS 102 Ca 0.00 0.03 -0.10 0.00 0.46 0.00 0.00 57.72 58.11 1bnr n HIS 102 Cb 0.59 -1.72 -0.03 0.00 -0.12 0.00 0.00 29.99 28.71 1bnr n HIS 102 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1bnr n TYR 103 N -1.10 -0.79 0.23 1.57 4.01 -1.26 -4.72 117.16 115.10 1bnr n TYR 103 Ca -0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1bnr n TYR 103 Cb 0.50 -2.24 -0.05 0.00 -0.31 0.00 0.00 39.34 37.24 1bnr n TYR 103 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bnr n GLN 104 N -1.94 0.51 -3.37 -0.72 6.02 -1.24 -4.80 117.38 111.84 1bnr n GLN 104 Ca -0.10 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.75 1bnr n GLN 104 Cb 0.39 -1.65 -0.09 0.00 1.02 0.00 0.00 30.24 29.92 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1bnr s THR 105 N -3.36 -0.55 -0.17 5.09 2.01 -1.26 -5.01 115.64 112.39 1bnr s THR 105 Ca -0.01 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 1bnr s THR 105 Cb 0.13 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1bnr s THR 105 CO 0.83 -0.17 0.34 -0.36 -0.69 0.00 0.00 174.62 174.57 1bnr s PHE 106 N 2.50 3.44 -0.14 4.92 0.08 -1.26 -3.89 117.98 123.62 1bnr s PHE 106 Ca 0.11 0.63 -0.01 0.00 0.12 0.00 0.00 56.93 57.79 1bnr s PHE 106 Cb -0.15 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.87 1bnr s PHE 106 CO -0.18 0.16 -0.12 0.99 -0.10 0.00 0.00 175.22 175.97 1bnr s THR 107 N 0.72 3.03 -0.19 0.64 2.01 -0.31 -4.87 115.64 116.66 1bnr s THR 107 Ca 0.18 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1bnr s THR 107 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1bnr s THR 107 CO 0.06 0.51 1.07 -0.75 -0.69 0.00 0.00 174.62 174.82 1bnr s LYS 108 N 0.54 4.28 -0.03 4.92 2.36 -1.26 -0.92 119.74 129.64 1bnr s LYS 108 Ca -0.08 1.42 0.00 0.00 -2.55 0.00 0.00 55.97 54.77 1bnr s LYS 108 Cb -0.16 -3.64 -0.02 0.00 -1.05 0.00 0.00 37.83 32.96 1bnr s LYS 108 CO 0.04 -0.59 -0.03 0.44 1.55 0.00 0.00 175.35 176.76 1bnr n ILE 109 N 5.18 0.19 -1.36 5.43 -5.35 -0.65 -4.99 119.36 117.81 1bnr n ILE 109 Ca 0.12 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1bnr n ILE 109 Cb 0.46 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33