#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr s GLN 2 N 0.00 2.30 0.20 0.00 0.74 -1.26 -5.06 119.66 116.58 1bnr s GLN 2 Ca 0.00 -2.05 -0.32 0.00 0.05 0.00 0.00 55.36 53.04 1bnr s GLN 2 Cb 0.00 -3.71 -0.15 0.00 1.10 0.00 0.00 33.01 30.26 1bnr s GLN 2 CO 0.00 -1.13 1.29 1.33 -0.55 0.00 0.00 175.29 176.23 1bnr n VAL 3 N 4.28 0.89 -3.87 1.34 0.24 -1.26 -4.94 118.33 115.02 1bnr n VAL 3 Ca 0.00 -0.22 -0.35 0.00 -2.04 0.00 0.00 64.34 61.73 1bnr n VAL 3 Cb 0.40 -1.17 -0.13 0.00 -1.47 0.00 0.00 33.84 31.48 1bnr n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1bnr s ILE 4 N -0.10 3.05 -0.40 1.34 1.09 -1.26 -4.96 121.20 119.96 1bnr s ILE 4 Ca 0.71 -1.70 0.09 0.00 -1.10 0.00 0.00 60.65 58.65 1bnr s ILE 4 Cb -0.75 -2.92 0.32 0.00 -1.06 0.00 0.00 42.46 38.05 1bnr s ILE 4 CO 0.51 -0.36 0.79 -0.46 -0.10 0.00 0.00 174.94 175.32 1bnr n ASN 5 N 4.58 -0.31 -2.20 3.58 6.94 -1.26 -4.80 115.26 121.79 1bnr n ASN 5 Ca -0.08 -3.13 -0.10 0.00 -0.02 0.00 0.00 54.58 51.25 1bnr n ASN 5 Cb 0.43 0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.97 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 0.61 0.00 -0.05 5.53 -2.24 -1.26 -1.13 114.28 115.74 1bnr n THR 6 Ca 0.19 -1.18 -0.08 0.00 -2.27 0.00 0.00 64.05 60.71 1bnr n THR 6 Cb 0.64 0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.60 -0.01 -0.11 4.78 0.04 -1.96 -2.57 116.94 118.71 1bnr h PHE 7 Ca -0.15 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.48 1bnr h PHE 7 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1bnr h PHE 7 CO 0.00 0.54 -0.56 -0.44 -0.60 0.00 0.00 178.31 177.25 1bnr h ASP 8 N -0.99 0.36 0.18 2.17 5.19 -1.98 -0.58 116.42 120.77 1bnr h ASP 8 Ca -0.00 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1bnr h ASP 8 Cb 0.56 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1bnr h ASP 8 CO 0.00 0.84 -0.09 1.23 -3.12 0.00 0.00 179.24 178.11 1bnr h GLY 9 N 1.33 -0.25 1.20 2.75 0.00 -1.97 -0.95 103.07 105.17 1bnr h GLY 9 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 1bnr h GLY 9 CO 0.09 -0.09 -0.09 -2.08 0.00 0.00 0.00 176.54 174.37 1bnr h VAL 10 N -0.66 1.26 -0.99 4.60 2.07 -1.50 -1.60 116.25 119.43 1bnr h VAL 10 Ca -0.02 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1bnr h VAL 10 Cb 0.47 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1bnr h VAL 10 CO 0.04 0.43 0.66 0.00 0.02 0.00 0.00 177.57 178.71 1bnr h ALA 11 N 1.04 1.31 0.43 1.67 0.00 -1.09 0.19 119.26 122.81 1bnr h ALA 11 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1bnr h ALA 11 Cb 0.63 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bnr h ALA 11 CO 0.04 0.62 -0.21 -0.44 0.00 0.00 0.00 179.25 179.26 1bnr h ASP 12 N 1.31 -0.49 -0.00 0.00 3.32 -0.70 -1.44 116.42 118.42 1bnr h ASP 12 Ca 0.37 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1bnr h ASP 12 Cb -0.10 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1bnr h ASP 12 CO -0.09 -0.18 0.02 0.22 -1.72 0.00 0.00 179.24 177.49 1bnr h TYR 13 N -0.80 0.00 0.13 4.55 5.03 -0.96 0.38 116.97 125.30 1bnr h TYR 13 Ca -0.06 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 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 0.00 0.00 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.71 1bnr h LEU 14 N 0.00 -0.14 0.00 2.82 3.38 0.00 -0.41 115.31 120.96 1bnr h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bnr h LEU 14 Cb 0.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1bnr h LEU 14 CO -0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1bnr n GLN 15 N -3.67 0.24 -0.03 1.13 6.02 -0.60 0.73 117.38 121.20 1bnr n GLN 15 Ca -0.02 0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1bnr n GLN 15 Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.28 0.51 1.27 5.09 -1.04 0.13 -4.49 114.28 114.49 1bnr n THR 16 Ca 0.08 0.39 0.11 0.00 -2.04 0.00 0.00 64.05 62.59 1bnr n THR 16 Cb 0.13 -1.81 0.40 0.00 -1.82 0.00 0.00 70.33 67.23 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 -3.14 0.17 -4.14 -1.42 4.02 -0.17 -4.92 117.16 107.57 1bnr n TYR 17 Ca -0.04 -0.09 -0.29 0.00 -0.01 0.00 0.00 57.90 57.48 1bnr n TYR 17 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bnr n HIS 18 N 0.30 -1.49 0.00 -0.72 8.25 0.22 -4.89 115.22 116.90 1bnr n HIS 18 Ca 0.17 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 1bnr n HIS 18 Cb 0.34 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 28.19 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 -4.46 0.00 -1.43 -0.41 2.85 -1.23 -5.04 118.16 108.43 1bnr n LYS 19 Ca -0.27 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.60 1bnr n LYS 19 Cb 0.67 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.07 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 -0.06 -4.43 -5.58 4.77 -1.26 -4.65 117.00 105.79 1bnr n LEU 20 Ca 0.00 0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 56.42 1bnr n LEU 20 Cb 0.00 -1.11 0.14 0.00 -2.33 0.00 0.00 43.42 40.12 1bnr n LEU 20 CO 0.00 -3.27 -0.04 -2.65 -1.33 0.00 0.00 177.39 170.10 1bnr n PRO 21 N 0.33 -0.60 0.00 3.23 -0.02 -1.26 -4.81 135.00 131.87 1bnr n PRO 21 Ca 0.11 -0.13 0.06 0.00 -2.02 0.00 0.00 63.50 61.52 1bnr n PRO 21 Cb 0.46 -1.91 0.31 0.00 -0.02 0.00 0.00 33.50 32.34 1bnr n PRO 21 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1bnr n ASP 22 N -1.86 0.00 -0.92 2.55 -0.08 -1.26 -1.65 116.55 113.33 1bnr n ASP 22 Ca 0.06 0.26 0.07 0.00 -1.51 0.00 0.00 54.79 53.67 1bnr n ASP 22 Cb 0.55 -0.37 0.21 0.00 2.34 0.00 0.00 41.12 43.85 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1bnr n ASN 23 N -1.37 2.66 -4.23 1.67 0.23 -1.26 -4.68 115.26 108.27 1bnr n ASN 23 Ca 0.05 -2.07 -0.43 0.00 -0.53 0.00 0.00 54.58 51.61 1bnr n ASN 23 Cb 0.12 -0.35 -0.05 0.00 -2.08 0.00 0.00 39.78 37.43 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 -1.46 3.61 -0.25 -2.53 2.02 -0.66 -0.35 117.35 117.74 1bnr s TYR 24 Ca 0.31 -2.29 -0.11 0.00 -0.37 0.00 0.00 57.07 54.61 1bnr s TYR 24 Cb 0.17 -3.56 -0.05 0.00 -0.40 0.00 0.00 41.96 38.12 1bnr s TYR 24 CO 0.20 -0.93 0.20 0.96 -1.57 0.00 0.00 175.55 174.41 1bnr s ILE 25 N 0.07 5.32 0.95 2.71 -5.25 0.23 -4.51 121.20 120.73 1bnr s ILE 25 Ca 0.17 0.24 -0.14 0.00 -0.99 0.00 0.00 60.65 59.94 1bnr s ILE 25 Cb -0.14 -3.54 0.11 0.00 2.95 0.00 0.00 42.46 41.83 1bnr s ILE 25 CO -0.07 0.30 0.07 0.35 -1.79 0.00 0.00 174.94 173.81 1bnr n THR 26 N 4.52 0.00 -0.03 8.37 -2.24 -1.23 -3.83 114.28 119.82 1bnr n THR 26 Ca -0.14 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1bnr n THR 26 Cb 0.52 -0.39 -0.09 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 -2.37 0.19 -0.97 -0.78 1.57 -1.91 -2.68 116.57 109.62 1bnr h LYS 27 Ca -0.26 -0.10 0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1bnr h LYS 27 Cb 0.80 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.03 1bnr h LYS 27 CO 0.17 0.64 0.61 0.77 -0.57 0.00 0.00 179.45 181.07 1bnr h SER 28 N -0.26 0.78 -0.91 0.86 0.02 -1.97 0.39 113.55 112.47 1bnr h SER 28 Ca 0.01 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1bnr h SER 28 Cb 0.62 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 1bnr h SER 28 CO 0.02 0.38 0.58 -0.33 -1.14 0.00 0.00 176.83 176.34 1bnr h GLU 29 N 0.82 1.06 -0.23 3.45 4.39 -1.81 0.12 114.58 122.38 1bnr h GLU 29 Ca 0.50 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.05 1bnr h GLU 29 Cb 0.69 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1bnr h GLU 29 CO -0.27 0.70 -0.22 0.00 -1.16 0.00 0.00 179.01 178.06 1bnr h ALA 30 N 1.40 1.19 -0.40 3.43 0.00 0.03 -1.81 119.26 123.12 1bnr h ALA 30 Ca 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1bnr h ALA 30 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1bnr h ALA 30 CO -0.15 0.52 0.12 1.96 0.00 0.00 0.00 179.25 181.70 1bnr h GLN 31 N 0.38 0.57 -0.55 0.00 4.20 0.66 -1.07 115.11 119.30 1bnr h GLN 31 Ca 0.06 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1bnr h GLN 31 Cb 0.60 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1bnr h GLN 31 CO 0.04 0.51 0.36 0.00 -0.67 0.00 0.00 178.83 179.08 1bnr h ALA 32 N 1.57 1.70 0.00 3.87 0.00 -0.26 0.08 119.26 126.21 1bnr h ALA 32 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bnr h ALA 32 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bnr h ALA 32 CO -0.01 0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.36 1bnr h LEU 33 N 0.66 0.00 0.00 0.00 4.07 -1.19 -3.46 115.31 115.39 1bnr h LEU 33 Ca 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1bnr h LEU 33 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1bnr h LEU 33 CO -0.05 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.92 1bnr n GLY 34 N 1.27 1.00 3.42 0.83 0.00 0.01 -4.97 105.19 106.74 1bnr n GLY 34 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.95 3.09 -0.41 1.61 -0.00 -0.56 -4.86 118.94 115.86 1bnr s TRP 35 Ca 0.00 -0.56 -0.22 0.00 -0.00 0.00 0.00 56.10 55.32 1bnr s TRP 35 Cb 0.00 -2.24 0.02 0.00 -0.00 0.00 0.00 33.47 31.25 1bnr s TRP 35 CO 0.00 -0.42 0.71 0.08 -0.00 0.00 0.00 176.95 177.32 1bnr s VAL 36 N 1.59 4.77 0.43 5.86 1.01 -1.26 -3.96 120.40 128.83 1bnr s VAL 36 Ca 0.06 0.45 0.27 0.00 0.00 0.00 0.00 61.98 62.76 1bnr s VAL 36 Cb -0.15 -4.21 0.27 0.00 0.00 0.00 0.00 36.38 32.29 1bnr s VAL 36 CO 0.03 -0.53 1.82 0.00 0.00 0.00 0.00 175.10 176.41 1bnr h ALA 37 N 8.74 1.22 0.13 5.51 0.00 -1.97 0.18 119.26 133.08 1bnr h ALA 37 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 1bnr h ALA 37 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bnr h ALA 37 CO 0.90 -0.22 -1.36 0.77 0.00 0.00 0.00 179.25 179.34 1bnr h SER 38 N 0.00 0.44 0.52 0.00 0.02 -2.04 -3.28 113.55 109.21 1bnr h SER 38 Ca 0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1bnr h SER 38 Cb 0.49 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1bnr h SER 38 CO 0.00 1.41 -0.55 0.29 -1.14 0.00 0.00 176.83 176.84 1bnr n LYS 39 N -3.52 0.04 -4.33 3.45 4.76 0.42 -4.93 118.16 114.06 1bnr n LYS 39 Ca -0.12 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 54.94 1bnr n LYS 39 Cb 1.04 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 32.65 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 1.48 -0.43 2.32 0.72 0.00 -0.00 -4.77 105.19 104.51 1bnr n GLY 40 Ca 0.05 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.50 6.98 0.27 1.61 2.04 -1.26 -3.29 115.26 119.10 1bnr n ASN 41 Ca 0.10 -3.42 -0.16 0.00 -0.44 0.00 0.00 54.58 50.66 1bnr n ASN 41 Cb 0.47 -1.08 -0.08 0.00 -2.53 0.00 0.00 39.78 36.55 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bnr h LEU 42 N 2.81 -0.65 -1.39 -4.53 5.85 -1.91 -0.36 115.31 115.12 1bnr h LEU 42 Ca 0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1bnr h LEU 42 Cb 0.70 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1bnr h LEU 42 CO 1.12 -0.43 0.53 0.00 -0.34 0.00 0.00 178.44 179.33 1bnr h ALA 43 N -0.18 1.53 0.00 1.25 0.00 -1.82 0.46 119.26 120.50 1bnr h ALA 43 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 1bnr h ALA 43 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1bnr h ALA 43 CO 0.07 -0.53 -2.13 -0.25 0.00 0.00 0.00 179.25 176.41 1bnr n ASP 44 N -2.76 0.31 -0.10 0.00 8.00 -0.33 -4.12 116.55 117.54 1bnr n ASP 44 Ca -0.01 0.14 -0.20 0.00 0.71 0.00 0.00 54.79 55.43 1bnr n ASP 44 Cb 0.56 0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 42.27 1bnr n ASP 44 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bnr n VAL 45 N -2.83 1.32 -3.22 2.53 0.24 0.72 -4.79 118.33 112.29 1bnr n VAL 45 Ca -0.26 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.34 61.60 1bnr n VAL 45 Cb 1.09 -1.92 -0.06 0.00 -1.47 0.00 0.00 33.84 31.48 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 -4.10 3.59 -0.63 2.33 0.00 0.13 -5.00 120.51 116.82 1bnr n ALA 46 Ca -0.37 -4.28 -0.29 0.00 0.00 0.00 0.00 53.44 48.51 1bnr n ALA 46 Cb 0.72 -0.84 0.23 0.00 0.00 0.00 0.00 19.45 19.56 1bnr n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bnr s PRO 47 N -2.44 -0.58 -1.47 0.00 0.04 -0.92 -3.60 135.00 126.03 1bnr s PRO 47 Ca 0.41 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 1bnr s PRO 47 Cb 0.21 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 33.21 1bnr s PRO 47 CO -0.07 -3.51 0.69 0.41 0.04 0.00 0.00 177.00 174.56 1bnr n GLY 48 N 0.53 -0.34 3.31 0.56 0.00 -1.26 -4.96 105.19 103.02 1bnr n GLY 48 Ca 0.04 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.49 1.26 -0.08 1.61 -0.14 -1.24 -5.05 119.74 109.61 1bnr s LYS 49 Ca 0.30 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.32 1bnr s LYS 49 Cb -0.15 -0.70 0.02 0.00 -1.68 0.00 0.00 37.83 35.32 1bnr s LYS 49 CO 0.86 -0.00 -0.10 -1.12 -0.76 0.00 0.00 175.35 174.23 1bnr s SER 50 N -3.27 1.87 -0.51 2.83 0.01 0.53 -4.97 113.70 110.19 1bnr s SER 50 Ca 0.24 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 1bnr s SER 50 Cb 0.04 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.51 1bnr s SER 50 CO 0.06 -0.03 0.77 -0.63 0.41 0.00 0.00 173.24 173.82 1bnr s ILE 51 N 1.08 4.65 0.27 1.44 -1.09 -1.25 0.77 121.20 127.07 1bnr s ILE 51 Ca -0.07 -0.02 -0.19 0.00 -2.23 0.00 0.00 60.65 58.14 1bnr s ILE 51 Cb -0.14 -4.39 0.01 0.00 -1.58 0.00 0.00 42.46 36.36 1bnr s ILE 51 CO -0.01 -0.90 0.65 -0.83 -1.23 0.00 0.00 174.94 172.62 1bnr s GLY 52 N 2.62 0.06 0.00 6.18 0.00 -1.25 -0.31 107.32 114.62 1bnr s GLY 52 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1bnr s GLY 52 CO 0.17 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.65 1bnr n GLY 53 N -0.44 0.33 3.82 0.20 0.00 -0.57 -3.56 105.19 104.97 1bnr n GLY 53 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.03 7.00 0.99 1.61 1.47 -1.24 -4.85 116.67 119.62 1bnr s ASP 54 Ca 0.00 1.36 -0.15 0.00 1.18 0.00 0.00 52.55 54.94 1bnr s ASP 54 Cb 0.00 -2.40 0.01 0.00 -0.34 0.00 0.00 42.92 40.19 1bnr s ASP 54 CO 0.00 0.01 0.06 -0.38 0.68 0.00 0.00 175.17 175.54 1bnr n ILE 55 N 0.60 0.00 -3.97 2.11 2.08 -1.26 -1.41 119.36 117.51 1bnr n ILE 55 Ca -0.02 -0.25 -0.35 0.00 0.56 0.00 0.00 62.75 62.69 1bnr n ILE 55 Cb 0.51 -0.49 -0.06 0.00 -0.75 0.00 0.00 39.64 38.85 1bnr n ILE 55 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1bnr s PHE 56 N -2.29 3.49 0.00 1.39 5.36 -0.39 -4.23 117.98 121.31 1bnr s PHE 56 Ca 0.53 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 1bnr s PHE 56 Cb -0.18 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 1bnr s PHE 56 CO 0.70 0.65 0.21 0.45 -1.46 0.00 0.00 175.22 175.77 1bnr n SER 57 N 1.49 0.00 -0.91 6.13 2.88 -1.26 -4.60 113.62 117.35 1bnr n SER 57 Ca -0.15 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1bnr n SER 57 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1bnr n SER 57 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bnr n ASN 58 N -0.26 -1.94 0.04 -3.46 2.85 -1.26 -4.94 115.26 106.30 1bnr n ASN 58 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1bnr n ASN 58 Cb 0.00 -0.48 -0.01 0.00 1.24 0.00 0.00 39.78 40.53 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 0.00 -0.12 -0.68 1.20 2.43 -2.00 -3.31 114.38 111.91 1bnr h ARG 59 Ca 0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1bnr h ARG 59 Cb 0.97 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1bnr h ARG 59 CO 0.00 -0.08 0.41 0.93 -1.51 0.00 0.00 179.97 179.73 1bnr h GLU 60 N -0.18 0.92 0.00 0.20 4.39 -2.00 -3.47 114.58 114.44 1bnr h GLU 60 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1bnr h GLU 60 Cb 0.09 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1bnr h GLU 60 CO 0.02 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 178.93 1bnr n GLY 61 N -1.18 0.84 0.32 -3.84 0.00 -1.25 -5.02 105.19 95.05 1bnr n GLY 61 Ca 0.06 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.81 -3.95 1.61 5.02 -1.26 -4.90 118.16 115.49 1bnr n LYS 62 Ca 0.00 -0.64 -0.35 0.00 -2.02 0.00 0.00 58.31 55.30 1bnr n LYS 62 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnr s LEU 63 N -2.63 4.27 -0.32 -0.35 1.43 -1.26 -4.92 118.68 114.91 1bnr s LEU 63 Ca 0.17 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.36 1bnr s LEU 63 Cb 0.18 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1bnr s LEU 63 CO 0.64 0.34 2.11 -2.16 0.23 0.00 0.00 176.35 177.51 1bnr s PRO 64 N -1.42 2.99 0.11 1.29 0.04 -1.26 -4.93 135.00 131.82 1bnr s PRO 64 Ca 0.20 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 1bnr s PRO 64 Cb -0.12 -4.36 0.03 0.00 0.04 0.00 0.00 34.50 30.09 1bnr s PRO 64 CO 0.10 -2.27 0.36 0.20 0.04 0.00 0.00 177.00 175.44 1bnr s GLY 65 N 8.31 -0.21 0.51 0.56 0.00 -1.26 -5.03 107.32 110.20 1bnr s GLY 65 Ca 0.92 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 45.60 1bnr s GLY 65 CO 0.32 -0.34 0.36 0.54 0.00 0.00 0.00 173.10 173.98 1bnr s LYS 66 N -3.62 2.29 -0.42 2.90 3.01 -1.26 -5.01 119.74 117.62 1bnr s LYS 66 Ca 0.02 -1.94 -0.28 0.00 -1.01 0.00 0.00 55.97 52.76 1bnr s LYS 66 Cb 0.02 -2.11 -0.01 0.00 -1.01 0.00 0.00 37.83 34.72 1bnr s LYS 66 CO -0.11 -0.49 1.72 -1.54 0.51 0.00 0.00 175.35 175.45 1bnr s SER 67 N -4.21 5.84 0.00 2.83 1.04 -1.26 -2.21 113.70 115.73 1bnr s SER 67 Ca 0.36 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.73 1bnr s SER 67 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1bnr s SER 67 CO 0.22 -1.82 0.00 0.61 0.98 0.00 0.00 173.24 173.23 1bnr n GLY 68 N 5.42 1.45 3.49 7.32 0.00 -1.26 -5.11 105.19 116.49 1bnr n GLY 68 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.21 2.36 0.13 1.61 3.52 -0.94 -5.13 118.95 120.30 1bnr s ARG 69 Ca 0.00 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 54.88 1bnr s ARG 69 Cb 0.00 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.02 1bnr s ARG 69 CO 0.00 0.59 -0.11 0.99 -0.81 0.00 0.00 175.30 175.96 1bnr s THR 70 N -0.85 3.25 0.47 4.11 2.01 -1.26 -4.80 115.64 118.57 1bnr s THR 70 Ca 0.14 -1.42 0.07 0.00 0.31 0.00 0.00 61.69 60.78 1bnr s THR 70 Cb -0.11 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 1bnr s THR 70 CO 0.03 0.04 0.37 0.26 -0.69 0.00 0.00 174.62 174.63 1bnr s TRP 71 N -1.36 2.27 0.07 4.92 0.52 -1.26 -4.30 118.94 119.79 1bnr s TRP 71 Ca 0.22 -0.64 0.05 0.00 0.02 0.00 0.00 56.10 55.75 1bnr s TRP 71 Cb -0.10 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1bnr s TRP 71 CO 0.14 -0.23 -0.14 1.03 0.02 0.00 0.00 176.95 177.77 1bnr s ARG 72 N -4.16 0.82 0.14 4.98 0.52 0.13 -1.26 118.95 120.11 1bnr s ARG 72 Ca 0.42 -0.98 0.06 0.00 -0.52 0.00 0.00 55.73 54.72 1bnr s ARG 72 Cb -0.02 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 1bnr s ARG 72 CO 0.25 0.17 -0.15 -1.83 0.02 0.00 0.00 175.30 173.77 1bnr s GLU 73 N -1.85 1.09 -0.02 3.54 -1.05 -0.50 -0.93 118.70 118.98 1bnr s GLU 73 Ca -0.01 -1.31 -0.10 0.00 -0.15 0.00 0.00 54.97 53.40 1bnr s GLU 73 Cb -0.09 -0.98 0.01 0.00 -0.44 0.00 0.00 34.13 32.63 1bnr s GLU 73 CO 0.02 0.18 0.22 0.00 0.95 0.00 0.00 175.26 176.64 1bnr s ALA 74 N -2.26 -0.55 0.54 -0.84 0.00 -0.11 -1.51 121.76 117.02 1bnr s ALA 74 Ca 0.12 0.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.07 1bnr s ALA 74 Cb -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 1bnr s ALA 74 CO 0.04 -0.21 1.15 -0.51 0.00 0.00 0.00 175.76 176.23 1bnr s ASP 75 N -1.08 5.71 -0.00 0.00 1.01 0.57 -1.11 116.67 121.77 1bnr s ASP 75 Ca -0.12 2.25 -0.02 0.00 0.71 0.00 0.00 52.55 55.38 1bnr s ASP 75 Cb -0.06 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1bnr s ASP 75 CO 0.02 -1.23 0.03 -0.63 0.21 0.00 0.00 175.17 173.57 1bnr s ILE 76 N -1.69 0.05 -1.29 0.77 -1.09 0.08 -4.62 121.20 113.41 1bnr s ILE 76 Ca 0.72 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.63 1bnr s ILE 76 Cb -0.26 -0.19 0.01 0.00 -1.58 0.00 0.00 42.46 40.44 1bnr s ILE 76 CO 0.30 -0.24 1.10 0.59 -1.23 0.00 0.00 174.94 175.46 1bnr n ASN 77 N 2.30 -6.14 -4.71 3.58 3.02 -0.28 -4.23 115.26 108.80 1bnr n ASN 77 Ca -0.18 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 1bnr n ASN 77 Cb 0.57 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.30 3.11 0.00 3.10 5.04 -1.26 -4.88 117.35 119.16 1bnr s TYR 78 Ca 0.55 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1bnr s TYR 78 Cb -0.24 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1bnr s TYR 78 CO 0.68 -2.40 0.00 0.25 -1.34 0.00 0.00 175.55 172.74 1bnr n THR 79 N 4.18 0.00 -3.88 4.34 -2.24 -1.26 -5.05 114.28 110.37 1bnr n THR 79 Ca 0.12 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1bnr n THR 79 Cb 0.43 -0.27 0.01 0.00 -2.10 0.00 0.00 70.33 68.40 1bnr n THR 79 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1bnr n SER 80 N -1.01 -1.16 -2.37 3.42 2.88 -1.26 -4.89 113.62 109.22 1bnr n SER 80 Ca 0.00 -1.47 -0.04 0.00 -1.33 0.00 0.00 58.87 56.03 1bnr n SER 80 Cb 0.00 1.85 0.01 0.00 -0.75 0.00 0.00 64.21 65.32 1bnr n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bnr n GLY 81 N -0.64 -1.05 1.31 0.46 0.00 -1.26 -4.82 105.19 99.19 1bnr n GLY 81 Ca 0.01 0.66 0.15 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.57 -3.25 -0.60 1.61 3.01 -1.21 -4.77 117.46 111.69 1bnr n PHE 82 Ca 0.06 1.76 -0.30 0.00 1.01 0.00 0.00 57.45 59.99 1bnr n PHE 82 Cb 0.33 -2.95 0.18 0.00 -0.01 0.00 0.00 39.48 37.03 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 -4.08 -2.03 -1.57 -1.08 1.74 -1.26 -4.93 116.66 103.46 1bnr n ARG 83 Ca -0.06 -0.58 -0.04 0.00 -0.77 0.00 0.00 57.85 56.40 1bnr n ARG 83 Cb 0.61 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bnr n ASN 84 N -2.12 0.73 -0.16 0.55 0.23 -1.26 -5.00 115.26 108.22 1bnr n ASN 84 Ca 0.02 -1.30 0.04 0.00 -0.53 0.00 0.00 54.58 52.81 1bnr n ASN 84 Cb 0.57 -0.05 -0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1bnr n SER 85 N -2.54 1.01 -4.72 0.53 7.64 -1.26 -4.96 113.62 109.32 1bnr n SER 85 Ca 0.02 -1.01 -0.37 0.00 1.01 0.00 0.00 58.87 58.52 1bnr n SER 85 Cb 0.11 0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.16 6.55 -0.01 6.43 1.01 -1.26 0.26 116.67 128.50 1bnr s ASP 86 Ca 0.06 0.65 -0.19 0.00 0.71 0.00 0.00 52.55 53.78 1bnr s ASP 86 Cb 0.06 -2.24 0.04 0.00 1.01 0.00 0.00 42.92 41.79 1bnr s ASP 86 CO 0.19 0.03 0.42 -0.13 0.21 0.00 0.00 175.17 175.89 1bnr s ARG 87 N 0.65 0.81 0.07 8.23 0.52 -0.54 -0.75 118.95 127.95 1bnr s ARG 87 Ca 0.21 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1bnr s ARG 87 Cb -0.14 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1bnr s ARG 87 CO 0.07 -0.24 0.04 -1.50 0.02 0.00 0.00 175.30 173.69 1bnr s ILE 88 N -1.51 4.30 -0.15 1.52 2.07 -0.27 -1.42 121.20 125.74 1bnr s ILE 88 Ca -0.11 -0.83 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1bnr s ILE 88 Cb -0.03 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.52 1bnr s ILE 88 CO 0.04 0.15 -0.18 -0.76 -1.91 0.00 0.00 174.94 172.29 1bnr s LEU 89 N -2.26 2.32 -0.04 8.50 2.01 -0.43 -0.93 118.68 127.85 1bnr s LEU 89 Ca 0.27 -0.53 0.03 0.00 0.01 0.00 0.00 54.13 53.91 1bnr s LEU 89 Cb -0.12 -1.51 -0.03 0.00 0.01 0.00 0.00 46.19 44.54 1bnr s LEU 89 CO 0.19 0.07 -0.12 -0.72 1.01 0.00 0.00 176.35 176.78 1bnr s TYR 90 N 0.87 2.75 0.47 0.29 1.13 -0.10 -1.35 117.35 121.42 1bnr s TYR 90 Ca -0.05 -0.12 0.07 0.00 -1.41 0.00 0.00 57.07 55.56 1bnr s TYR 90 Cb -0.15 -1.63 0.01 0.00 -1.10 0.00 0.00 41.96 39.09 1bnr s TYR 90 CO -0.02 0.24 0.39 0.45 -2.51 0.00 0.00 175.55 174.11 1bnr s SER 91 N -0.89 4.83 0.54 -0.18 0.15 -0.01 -0.69 113.70 117.44 1bnr s SER 91 Ca 0.13 -0.98 0.31 0.00 0.70 0.00 0.00 55.95 56.11 1bnr s SER 91 Cb -0.11 -0.13 1.51 0.00 -1.71 0.00 0.00 66.02 65.58 1bnr s SER 91 CO 0.02 -0.86 2.06 0.77 1.20 0.00 0.00 173.24 176.43 1bnr h SER 92 N 0.91 0.00 -0.32 5.45 4.64 -1.91 -0.61 113.55 121.71 1bnr h SER 92 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 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 0.58 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 1bnr n ASP 93 N -3.38 2.72 -1.67 4.97 5.75 -1.26 -4.86 116.55 118.82 1bnr n ASP 93 Ca -0.01 -2.26 -0.14 0.00 -0.01 0.00 0.00 54.79 52.38 1bnr n ASP 93 Cb 0.26 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.42 -0.82 -3.04 2.11 5.03 -0.24 -4.98 117.44 115.92 1bnr n TRP 94 Ca 0.13 0.10 -0.40 0.00 3.03 0.00 0.00 57.50 60.36 1bnr n TRP 94 Cb 0.54 -3.00 -0.05 0.00 -1.03 0.00 0.00 31.31 27.76 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 -4.01 4.19 -0.25 -0.99 1.43 -1.25 -4.79 118.68 113.02 1bnr s LEU 95 Ca 0.06 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1bnr s LEU 95 Cb -0.03 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.21 1bnr s LEU 95 CO 0.07 -0.27 -0.10 -0.63 0.23 0.00 0.00 176.35 175.66 1bnr s ILE 96 N 1.71 2.50 -0.24 -0.59 1.01 -0.63 -0.83 121.20 124.14 1bnr s ILE 96 Ca 0.33 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1bnr s ILE 96 Cb -0.16 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1bnr s ILE 96 CO 0.12 0.15 -0.05 -0.31 0.00 0.00 0.00 174.94 174.86 1bnr s TYR 97 N 1.24 3.01 0.01 3.97 1.51 -0.45 -1.66 117.35 124.97 1bnr s TYR 97 Ca -0.03 -1.25 -0.20 0.00 -1.01 0.00 0.00 57.07 54.58 1bnr s TYR 97 Cb -0.17 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.53 1bnr s TYR 97 CO -0.06 -0.65 0.58 -1.59 -1.11 0.00 0.00 175.55 172.72 1bnr s LYS 98 N 1.40 4.28 -0.10 -0.62 -2.85 -0.22 -1.31 119.74 120.33 1bnr s LYS 98 Ca 0.03 0.71 0.03 0.00 -1.00 0.00 0.00 55.97 55.74 1bnr s LYS 98 Cb -0.15 -3.32 0.01 0.00 -2.06 0.00 0.00 37.83 32.31 1bnr s LYS 98 CO -0.04 0.44 -0.20 -0.08 0.10 0.00 0.00 175.35 175.57 1bnr s THR 99 N -0.41 1.75 -0.34 3.79 -1.32 -0.50 -1.42 115.64 117.19 1bnr s THR 99 Ca 0.30 -0.83 0.07 0.00 -1.21 0.00 0.00 61.69 60.02 1bnr s THR 99 Cb -0.18 -1.54 0.53 0.00 -1.51 0.00 0.00 72.50 69.79 1bnr s THR 99 CO 0.17 0.49 1.56 0.35 -2.21 0.00 0.00 174.62 174.99 1bnr n THR 100 N 3.76 2.74 -2.02 5.08 -2.24 -1.26 -1.47 114.28 118.88 1bnr n THR 100 Ca -0.20 -2.72 -0.00 0.00 -2.27 0.00 0.00 64.05 58.85 1bnr n THR 100 Cb 0.52 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.10 0.00 -1.77 3.42 5.68 -1.22 -4.73 116.55 116.84 1bnr n ASP 101 Ca 0.41 -1.54 -0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1bnr n ASP 101 Cb 1.13 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bnr n HIS 102 N 0.02 -0.50 -3.50 2.11 -0.00 0.14 -4.30 115.22 109.19 1bnr n HIS 102 Ca -0.01 0.19 -0.20 0.00 -0.00 0.00 0.00 57.72 57.70 1bnr n HIS 102 Cb 0.62 -2.04 0.06 0.00 -0.00 0.00 0.00 29.99 28.63 1bnr n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bnr n TYR 103 N -1.20 -2.14 0.00 1.57 4.01 -1.26 -4.94 117.16 113.19 1bnr n TYR 103 Ca -0.00 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 1bnr n TYR 103 Cb 0.50 -4.26 0.00 0.00 -0.31 0.00 0.00 39.34 35.27 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 -3.89 0.00 -3.01 -0.72 6.02 -1.26 -4.97 117.38 109.55 1bnr n GLN 104 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 1bnr n GLN 104 Cb 0.64 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.85 1bnr n GLN 104 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1bnr s THR 105 N 0.00 4.64 -0.15 5.09 -4.23 -1.26 -5.02 115.64 114.70 1bnr s THR 105 Ca 0.00 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 1bnr s THR 105 Cb 0.00 -4.42 -0.03 0.00 1.34 0.00 0.00 72.50 69.38 1bnr s THR 105 CO 0.00 -0.97 0.58 -0.36 -0.54 0.00 0.00 174.62 173.32 1bnr s PHE 106 N 3.26 3.45 -0.17 3.99 0.08 -1.26 -4.21 117.98 123.12 1bnr s PHE 106 Ca 0.22 0.94 -0.03 0.00 0.12 0.00 0.00 56.93 58.18 1bnr s PHE 106 Cb -0.16 -2.70 -0.02 0.00 -0.57 0.00 0.00 43.02 39.56 1bnr s PHE 106 CO 0.15 -0.02 -0.06 0.99 -0.10 0.00 0.00 175.22 176.17 1bnr s THR 107 N 1.31 3.50 -0.28 0.64 2.01 -0.50 -4.86 115.64 117.45 1bnr s THR 107 Ca 0.28 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1bnr s THR 107 Cb -0.16 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1bnr s THR 107 CO 0.11 0.48 1.10 -0.75 -0.69 0.00 0.00 174.62 174.87 1bnr s LYS 108 N 0.69 4.12 -0.05 4.92 2.20 -1.26 -1.05 119.74 129.30 1bnr s LYS 108 Ca -0.03 1.20 0.10 0.00 -0.36 0.00 0.00 55.97 56.88 1bnr s LYS 108 Cb -0.15 -3.72 -0.15 0.00 -1.51 0.00 0.00 37.83 32.30 1bnr s LYS 108 CO 0.02 -0.84 0.14 0.44 -0.36 0.00 0.00 175.35 174.76 1bnr n ILE 109 N 5.72 0.32 -1.22 5.43 -5.35 -0.66 -5.00 119.36 118.60 1bnr n ILE 109 Ca 0.12 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1bnr n ILE 109 Cb 0.47 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33