#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 0.18 0.42 0.00 -0.21 -1.26 -5.10 119.66 113.69 1bnr s GLN 2 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1bnr s GLN 2 Cb 0.00 -1.23 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1bnr s GLN 2 CO 0.00 -0.93 0.00 0.28 -2.12 0.00 0.00 175.29 172.52 1bnr n VAL 3 N 5.27 0.00 -3.49 1.09 0.31 -1.26 -4.85 118.33 115.40 1bnr n VAL 3 Ca -0.06 0.40 -0.28 0.00 -0.01 0.00 0.00 64.34 64.40 1bnr n VAL 3 Cb 0.44 -0.83 -0.13 0.00 -0.91 0.00 0.00 33.84 32.42 1bnr n VAL 3 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1bnr s ILE 4 N -3.05 -0.02 -0.37 2.52 1.09 -1.26 -5.01 121.20 115.10 1bnr s ILE 4 Ca 0.00 -1.17 0.13 0.00 -1.10 0.00 0.00 60.65 58.51 1bnr s ILE 4 Cb 0.00 -1.02 0.37 0.00 -1.06 0.00 0.00 42.46 40.75 1bnr s ILE 4 CO 0.00 -0.82 0.78 -0.46 -0.10 0.00 0.00 174.94 174.34 1bnr n ASN 5 N 4.68 1.12 -2.76 3.58 6.94 -1.26 -4.67 115.26 122.88 1bnr n ASN 5 Ca 0.03 -3.00 -0.14 0.00 -0.02 0.00 0.00 54.58 51.45 1bnr n ASN 5 Cb 0.40 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.18 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 0.20 0.00 0.09 5.53 -2.24 -1.26 -1.33 114.28 115.27 1bnr n THR 6 Ca 0.23 -1.67 -0.09 0.00 -2.27 0.00 0.00 64.05 60.26 1bnr n THR 6 Cb 0.67 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.88 -0.29 -0.19 4.78 0.04 -1.94 -1.37 116.94 119.85 1bnr h PHE 7 Ca -0.22 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.37 1bnr h PHE 7 Cb 1.02 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 1bnr h PHE 7 CO 0.00 0.02 -0.56 -0.44 -0.60 0.00 0.00 178.31 176.73 1bnr h ASP 8 N -0.99 0.64 -0.00 2.17 5.19 -1.98 -1.04 116.42 120.40 1bnr h ASP 8 Ca -0.03 -0.34 -0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1bnr h ASP 8 Cb 0.43 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1bnr h ASP 8 CO 0.05 1.06 0.00 1.23 -3.12 0.00 0.00 179.24 178.47 1bnr h GLY 9 N 1.04 0.00 0.90 2.75 0.00 -1.96 -0.88 103.07 104.92 1bnr h GLY 9 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1bnr h GLY 9 CO 0.11 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.58 1bnr h VAL 10 N -0.27 1.25 -0.89 4.60 2.07 -1.27 -1.57 116.25 120.17 1bnr h VAL 10 Ca 0.00 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.71 1bnr h VAL 10 Cb 0.28 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1bnr h VAL 10 CO 0.00 0.31 0.57 0.00 0.02 0.00 0.00 177.57 178.47 1bnr h ALA 11 N 0.86 1.71 0.44 1.67 0.00 -1.14 0.21 119.26 123.01 1bnr h ALA 11 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1bnr h ALA 11 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bnr h ALA 11 CO 0.01 0.07 -0.21 -0.44 0.00 0.00 0.00 179.25 178.69 1bnr h ASP 12 N 0.80 -0.50 0.00 0.00 3.32 -0.67 -1.48 116.42 117.90 1bnr h ASP 12 Ca 0.43 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1bnr h ASP 12 Cb 0.54 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1bnr h ASP 12 CO -0.19 -0.15 0.05 0.22 -1.72 0.00 0.00 179.24 177.44 1bnr h TYR 13 N -0.88 0.00 0.07 4.55 3.20 -0.54 0.17 116.97 123.55 1bnr h TYR 13 Ca -0.06 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1bnr h TYR 13 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1bnr h TYR 13 CO 0.01 0.00 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.43 1bnr h LEU 14 N 0.00 -0.08 0.00 2.82 3.38 -0.03 -0.34 115.31 121.06 1bnr h LEU 14 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bnr h LEU 14 Cb 0.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1bnr h LEU 14 CO 0.00 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1bnr n GLN 15 N -4.84 0.02 -0.07 1.13 10.64 -0.61 0.73 117.38 124.37 1bnr n GLN 15 Ca -0.01 0.22 -0.06 0.00 -1.83 0.00 0.00 57.00 55.32 1bnr n GLN 15 Cb 0.04 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.91 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1bnr n THR 16 N -1.48 1.23 1.49 -0.39 -1.04 0.58 -4.47 114.28 110.21 1bnr n THR 16 Ca 0.04 0.23 0.14 0.00 -2.04 0.00 0.00 64.05 62.41 1bnr n THR 16 Cb 0.18 -2.23 0.53 0.00 -1.82 0.00 0.00 70.33 66.98 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 -4.20 0.03 -4.23 -1.42 4.02 -0.14 -4.93 117.16 106.30 1bnr n TYR 17 Ca -0.09 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.90 57.48 1bnr n TYR 17 Cb 0.34 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 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 0.12 -1.39 0.00 -0.72 8.25 0.22 -4.88 115.22 116.83 1bnr n HIS 18 Ca 0.19 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1bnr n HIS 18 Cb 0.34 -3.00 0.00 0.00 1.12 0.00 0.00 29.99 28.44 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 -4.48 0.00 -0.93 -0.41 2.85 -1.24 -5.05 118.16 108.90 1bnr n LYS 19 Ca -0.26 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.64 1bnr n LYS 19 Cb 0.66 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 35.11 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 -4.15 -4.52 -5.58 4.77 -1.26 -4.69 117.00 101.57 1bnr n LEU 20 Ca 0.00 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1bnr n LEU 20 Cb 0.00 -0.87 0.13 0.00 -2.33 0.00 0.00 43.42 40.35 1bnr n LEU 20 CO 0.00 -5.07 0.24 -2.65 -1.33 0.00 0.00 177.39 168.58 1bnr n PRO 21 N 1.21 -0.28 0.00 3.23 -0.02 -1.26 -4.84 135.00 133.05 1bnr n PRO 21 Ca 0.00 -0.03 0.09 0.00 -2.02 0.00 0.00 63.50 61.55 1bnr n PRO 21 Cb 0.57 -2.07 0.48 0.00 -0.02 0.00 0.00 33.50 32.46 1bnr n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bnr n ASP 22 N -2.38 0.00 -1.44 2.55 5.68 -1.26 -2.48 116.55 117.22 1bnr n ASP 22 Ca 0.09 -0.08 -0.11 0.00 -0.50 0.00 0.00 54.79 54.19 1bnr n ASP 22 Cb 0.53 -0.24 0.17 0.00 -1.14 0.00 0.00 41.12 40.44 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1bnr n ASN 23 N -1.24 3.22 -3.98 -1.12 6.94 -1.26 -4.82 115.26 113.00 1bnr n ASN 23 Ca 0.10 -3.78 -0.33 0.00 -0.02 0.00 0.00 54.58 50.55 1bnr n ASN 23 Cb 0.13 -0.65 -0.08 0.00 -2.36 0.00 0.00 39.78 36.82 1bnr n ASN 23 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1bnr n TYR 24 N -1.07 3.80 -3.25 -2.53 4.02 -1.03 0.38 117.16 117.48 1bnr n TYR 24 Ca 0.39 -4.14 -0.39 0.00 -0.01 0.00 0.00 57.90 53.75 1bnr n TYR 24 Cb 1.05 -0.93 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 1bnr n TYR 24 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1bnr s ILE 25 N -1.57 5.14 0.97 -0.72 -4.36 0.15 -4.11 121.20 116.68 1bnr s ILE 25 Ca 0.28 1.03 -0.17 0.00 -0.26 0.00 0.00 60.65 61.53 1bnr s ILE 25 Cb -0.04 -3.86 0.03 0.00 1.25 0.00 0.00 42.46 39.85 1bnr s ILE 25 CO -0.12 0.26 -0.31 0.35 0.24 0.00 0.00 174.94 175.36 1bnr n THR 26 N 3.99 0.00 -0.05 8.37 -2.24 -1.22 -3.66 114.28 119.46 1bnr n THR 26 Ca -0.05 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1bnr n THR 26 Cb 0.51 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.98 0.33 -0.93 -0.78 1.57 -1.91 -2.75 116.57 110.11 1bnr h LYS 27 Ca -0.33 -0.18 0.20 0.00 -1.87 0.00 0.00 60.65 58.48 1bnr h LYS 27 Cb 0.99 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.23 1bnr h LYS 27 CO 0.21 0.73 0.61 0.77 -0.57 0.00 0.00 179.45 181.20 1bnr h SER 28 N -0.04 0.49 -0.63 0.86 0.02 -1.97 0.41 113.55 112.69 1bnr h SER 28 Ca 0.02 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1bnr h SER 28 Cb 0.67 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1bnr h SER 28 CO 0.03 0.19 0.40 -0.33 -1.14 0.00 0.00 176.83 175.98 1bnr h GLU 29 N 0.49 0.84 -0.34 3.45 4.39 -1.79 -0.64 114.58 120.97 1bnr h GLU 29 Ca 0.50 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 60.08 1bnr h GLU 29 Cb 1.12 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1bnr h GLU 29 CO -0.22 0.58 -0.01 0.00 -1.16 0.00 0.00 179.01 178.20 1bnr h ALA 30 N 1.21 1.35 -0.65 3.43 0.00 -0.08 -1.54 119.26 122.98 1bnr h ALA 30 Ca 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1bnr h ALA 30 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1bnr h ALA 30 CO -0.05 0.45 0.28 1.96 0.00 0.00 0.00 179.25 181.89 1bnr h GLN 31 N 0.51 0.93 -0.87 0.00 4.20 0.15 -1.04 115.11 119.01 1bnr h GLN 31 Ca 0.11 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1bnr h GLN 31 Cb 0.35 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1bnr h GLN 31 CO 0.01 0.75 0.57 0.00 -0.67 0.00 0.00 178.83 179.49 1bnr h ALA 32 N 1.38 1.44 0.00 3.87 0.00 -0.14 -0.06 119.26 125.75 1bnr h ALA 32 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bnr h ALA 32 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bnr h ALA 32 CO -0.02 0.49 -0.06 1.28 0.00 0.00 0.00 179.25 180.93 1bnr n LEU 33 N -4.43 0.46 0.00 0.00 4.32 -0.71 -4.91 117.00 111.73 1bnr n LEU 33 Ca 0.11 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.60 1bnr n LEU 33 Cb 0.08 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 1bnr n LEU 33 CO 0.35 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 1bnr n GLY 34 N 1.40 0.71 2.75 -0.72 0.00 -0.04 -4.92 105.19 104.37 1bnr n GLY 34 Ca 0.06 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.00 0.46 -0.32 1.61 -0.00 -0.79 -4.71 118.94 114.19 1bnr s TRP 35 Ca 0.00 -0.03 -0.21 0.00 -0.00 0.00 0.00 56.10 55.86 1bnr s TRP 35 Cb 0.00 -0.68 -0.00 0.00 -0.00 0.00 0.00 33.47 32.79 1bnr s TRP 35 CO 0.00 -0.27 0.66 0.54 -0.00 0.00 0.00 176.95 177.88 1bnr s VAL 36 N 1.95 4.90 -1.09 5.86 0.11 -1.26 -4.10 120.40 126.77 1bnr s VAL 36 Ca 0.04 0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 59.69 1bnr s VAL 36 Cb -0.12 -4.05 -0.07 0.00 -1.53 0.00 0.00 36.38 30.61 1bnr s VAL 36 CO -0.04 -0.21 1.93 0.00 -3.33 0.00 0.00 175.10 173.44 1bnr s ALA 37 N 2.70 1.81 0.00 1.54 0.00 -1.26 -3.54 121.76 123.01 1bnr s ALA 37 Ca 0.26 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1bnr s ALA 37 Cb -0.15 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.34 1bnr s ALA 37 CO 0.13 -5.01 0.00 0.43 0.00 0.00 0.00 175.76 171.31 1bnr n SER 38 N 13.99 0.00 0.21 0.00 7.64 -1.26 -4.93 113.62 129.27 1bnr n SER 38 Ca 0.43 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.49 1bnr n SER 38 Cb 0.47 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.44 1bnr n SER 38 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1bnr h LYS 39 N 0.00 0.00 -4.09 1.43 1.57 -2.00 -3.46 116.57 110.02 1bnr h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bnr h LYS 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1bnr h LYS 39 CO 0.00 0.00 -0.11 0.41 -0.57 0.00 0.00 179.45 179.18 1bnr n GLY 40 N -1.36 -0.85 1.23 3.86 0.00 -1.26 -4.81 105.19 101.99 1bnr n GLY 40 Ca 0.03 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.91 0.47 0.08 1.61 2.04 -1.26 -4.08 115.26 113.21 1bnr n ASN 41 Ca 0.03 -1.96 -0.07 0.00 -0.44 0.00 0.00 54.58 52.13 1bnr n ASN 41 Cb 0.37 -0.17 -0.04 0.00 -2.53 0.00 0.00 39.78 37.41 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 0.64 -0.61 -1.28 -4.53 5.85 -1.91 0.11 115.31 113.57 1bnr h LEU 42 Ca -0.25 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1bnr h LEU 42 Cb 1.71 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 1bnr h LEU 42 CO 0.01 -0.25 0.78 0.00 -0.34 0.00 0.00 178.44 178.64 1bnr h ALA 43 N -1.27 2.20 0.25 1.25 0.00 -1.85 0.42 119.26 120.25 1bnr h ALA 43 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1bnr h ALA 43 Cb 0.34 0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.20 1bnr h ALA 43 CO -0.07 -1.01 -1.45 0.22 0.00 0.00 0.00 179.25 176.94 1bnr h ASP 44 N 0.00 0.82 0.00 0.00 1.82 -1.22 -3.24 116.42 114.60 1bnr h ASP 44 Ca 0.21 -0.92 -0.15 0.00 -0.39 0.00 0.00 57.03 55.78 1bnr h ASP 44 Cb 1.77 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 41.49 1bnr h ASP 44 CO -0.00 1.70 -1.15 1.33 -1.61 0.00 0.00 179.24 179.50 1bnr n VAL 45 N -3.75 1.49 -3.54 2.25 0.24 0.12 -4.71 118.33 110.43 1bnr n VAL 45 Ca -0.17 0.03 -0.27 0.00 -2.04 0.00 0.00 64.34 61.89 1bnr n VAL 45 Cb 1.09 -2.19 -0.09 0.00 -1.47 0.00 0.00 33.84 31.18 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 -3.79 3.85 -0.60 2.33 0.00 0.53 -5.01 120.51 117.82 1bnr n ALA 46 Ca -0.24 -4.66 -0.16 0.00 0.00 0.00 0.00 53.44 48.38 1bnr n ALA 46 Cb 0.54 -0.93 0.25 0.00 0.00 0.00 0.00 19.45 19.30 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 1.17 -3.95 -4.26 0.00 -0.04 -1.22 -3.85 135.00 122.85 1bnr n PRO 47 Ca 0.27 -1.38 -0.33 0.00 -0.04 0.00 0.00 63.50 62.02 1bnr n PRO 47 Cb 0.40 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 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 -4.66 -0.26 3.44 0.55 0.00 -1.26 -4.91 105.19 98.09 1bnr n GLY 48 Ca 0.13 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.07 1.32 0.10 1.61 1.02 -1.25 -4.99 119.74 110.48 1bnr s LYS 49 Ca 0.30 -1.19 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 1bnr s LYS 49 Cb -0.17 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1bnr s LYS 49 CO 0.97 -0.52 0.07 -1.12 -0.92 0.00 0.00 175.35 173.83 1bnr s SER 50 N -2.99 0.31 -0.25 2.83 0.01 0.16 -5.00 113.70 108.78 1bnr s SER 50 Ca 0.20 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 1bnr s SER 50 Cb 0.02 0.29 -0.00 0.00 0.21 0.00 0.00 66.02 66.53 1bnr s SER 50 CO 0.04 -0.71 0.00 -0.63 0.41 0.00 0.00 173.24 172.35 1bnr s ILE 51 N -3.97 3.60 0.09 1.44 -1.09 -1.25 0.31 121.20 120.33 1bnr s ILE 51 Ca 0.15 -0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 57.74 1bnr s ILE 51 Cb 0.07 -2.73 0.08 0.00 -1.58 0.00 0.00 42.46 38.29 1bnr s ILE 51 CO -0.04 0.29 0.67 -0.83 -1.23 0.00 0.00 174.94 173.79 1bnr s GLY 52 N 1.48 -0.58 0.00 6.18 0.00 -1.24 -0.46 107.32 112.70 1bnr s GLY 52 Ca 0.04 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1bnr s GLY 52 CO -0.01 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.04 1bnr n GLY 53 N -0.13 0.86 3.80 0.20 0.00 -0.39 -3.46 105.19 106.08 1bnr n GLY 53 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1bnr n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bnr s ASP 54 N -2.05 7.15 0.58 1.61 1.11 -1.13 -4.84 116.67 119.10 1bnr s ASP 54 Ca 0.00 1.45 -0.18 0.00 0.18 0.00 0.00 52.55 54.00 1bnr s ASP 54 Cb 0.00 -2.43 -0.06 0.00 1.07 0.00 0.00 42.92 41.50 1bnr s ASP 54 CO 0.00 0.13 0.79 -0.38 1.18 0.00 0.00 175.17 176.89 1bnr n ILE 55 N 1.14 3.11 -4.44 0.77 2.08 -1.26 -1.50 119.36 119.26 1bnr n ILE 55 Ca -0.05 -0.50 -0.32 0.00 0.56 0.00 0.00 62.75 62.44 1bnr n ILE 55 Cb 0.50 -0.96 -0.10 0.00 -0.75 0.00 0.00 39.64 38.33 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 -1.59 2.88 0.00 1.39 5.36 0.21 -4.56 117.98 121.67 1bnr s PHE 56 Ca 0.73 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 1bnr s PHE 56 Cb -0.43 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 1bnr s PHE 56 CO 0.50 0.38 0.00 0.43 -1.46 0.00 0.00 175.22 175.07 1bnr n SER 57 N 1.50 0.00 0.00 6.13 7.64 -1.26 -4.57 113.62 123.05 1bnr n SER 57 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1bnr n SER 57 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 -2.00 0.21 6.43 2.85 -1.26 -4.85 115.26 116.64 1bnr n ASN 58 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 1bnr n ASN 58 Cb 0.00 -1.00 0.43 0.00 1.24 0.00 0.00 39.78 40.45 1bnr n ASN 58 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1bnr h ARG 59 N 1.42 0.00 0.00 1.20 3.08 -1.98 -3.37 114.38 114.74 1bnr h ARG 59 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bnr h ARG 59 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1bnr h ARG 59 CO 0.00 0.30 0.00 0.39 -1.07 0.00 0.00 179.97 179.59 1bnr n GLU 60 N -3.61 0.00 0.00 0.04 1.02 -1.26 -5.04 120.64 111.79 1bnr n GLU 60 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1bnr n GLU 60 Cb 0.43 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1bnr n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bnr n GLY 61 N 2.55 0.00 0.05 0.62 0.00 -1.26 -5.02 105.19 102.13 1bnr n GLY 61 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.20 -4.31 1.61 5.02 -1.26 -4.85 118.16 114.58 1bnr n LYS 62 Ca 0.00 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 55.95 1bnr n LYS 62 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 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 -2.87 2.33 -0.92 -0.35 1.43 -1.26 -4.80 118.68 112.24 1bnr s LEU 63 Ca 0.15 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1bnr s LEU 63 Cb 0.18 -0.91 -0.19 0.00 0.03 0.00 0.00 46.19 45.30 1bnr s LEU 63 CO 0.62 0.06 2.26 -2.65 0.23 0.00 0.00 176.35 176.87 1bnr n PRO 64 N 0.91 0.33 -3.63 1.29 -0.02 -1.26 -4.81 135.00 127.81 1bnr n PRO 64 Ca -0.18 -1.23 -0.13 0.00 -2.02 0.00 0.00 63.50 59.94 1bnr n PRO 64 Cb 0.54 -3.76 -0.07 0.00 -0.02 0.00 0.00 33.50 30.19 1bnr n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bnr s GLY 65 N 9.59 -0.55 0.00 -1.23 0.00 -1.26 -5.06 107.32 108.80 1bnr s GLY 65 Ca 0.87 2.07 0.00 0.00 0.00 0.00 0.00 44.72 47.67 1bnr s GLY 65 CO 0.14 1.82 0.00 0.28 0.00 0.00 0.00 173.10 175.33 1bnr n LYS 66 N 2.85 1.88 -1.98 2.90 5.02 -1.26 -4.91 118.16 122.66 1bnr n LYS 66 Ca -0.15 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.83 1bnr n LYS 66 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.52 1bnr n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bnr s SER 67 N -0.86 5.06 0.00 4.39 0.01 -1.26 -1.90 113.70 119.14 1bnr s SER 67 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1bnr s SER 67 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1bnr s SER 67 CO 0.00 -2.67 0.00 0.61 0.41 0.00 0.00 173.24 171.59 1bnr n GLY 68 N 6.30 0.27 3.80 3.44 0.00 -1.26 -5.12 105.19 112.62 1bnr n GLY 68 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 4.01 0.09 1.61 3.52 -0.80 -5.08 118.95 122.30 1bnr s ARG 69 Ca 0.00 0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.98 1bnr s ARG 69 Cb 0.00 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1bnr s ARG 69 CO 0.00 0.55 0.04 0.99 -0.81 0.00 0.00 175.30 176.07 1bnr s THR 70 N -0.58 4.28 -0.01 4.11 2.01 -1.26 -4.82 115.64 119.37 1bnr s THR 70 Ca 0.23 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1bnr s THR 70 Cb -0.16 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 1bnr s THR 70 CO 0.11 0.11 -0.16 0.26 -0.69 0.00 0.00 174.62 174.25 1bnr s TRP 71 N -1.37 1.46 -0.18 4.92 0.52 -1.26 -4.37 118.94 118.66 1bnr s TRP 71 Ca 0.28 -0.28 -0.03 0.00 0.02 0.00 0.00 56.10 56.09 1bnr s TRP 71 Cb -0.12 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 1bnr s TRP 71 CO 0.20 -0.02 -0.05 1.03 0.02 0.00 0.00 176.95 178.13 1bnr s ARG 72 N -0.40 3.50 0.05 4.98 3.00 -0.24 -0.62 118.95 129.22 1bnr s ARG 72 Ca 0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 55.73 55.14 1bnr s ARG 72 Cb -0.06 -2.92 -0.05 0.00 0.00 0.00 0.00 34.95 31.91 1bnr s ARG 72 CO -0.01 0.03 0.30 -1.83 0.00 0.00 0.00 175.30 173.80 1bnr s GLU 73 N 0.89 3.60 0.04 3.54 -1.05 -0.56 -0.32 118.70 124.85 1bnr s GLU 73 Ca -0.01 -0.08 0.04 0.00 -0.15 0.00 0.00 54.97 54.77 1bnr s GLU 73 Cb -0.15 -3.02 -0.02 0.00 -0.44 0.00 0.00 34.13 30.50 1bnr s GLU 73 CO 0.01 0.60 -0.11 0.00 0.95 0.00 0.00 175.26 176.71 1bnr s ALA 74 N -1.40 0.86 0.37 -0.84 0.00 0.06 -1.26 121.76 119.55 1bnr s ALA 74 Ca 0.32 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 1bnr s ALA 74 Cb -0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 1bnr s ALA 74 CO 0.19 0.10 1.18 -0.51 0.00 0.00 0.00 175.76 176.73 1bnr s ASP 75 N -1.37 6.65 0.01 0.00 1.11 0.40 -0.95 116.67 122.51 1bnr s ASP 75 Ca -0.04 2.40 0.02 0.00 0.18 0.00 0.00 52.55 55.11 1bnr s ASP 75 Cb -0.09 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 1bnr s ASP 75 CO 0.01 -0.59 -0.06 -0.63 1.18 0.00 0.00 175.17 175.07 1bnr s ILE 76 N -1.34 0.49 -1.47 0.77 -1.09 0.07 -4.65 121.20 113.98 1bnr s ILE 76 Ca 0.54 -0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1bnr s ILE 76 Cb -0.32 -0.44 0.00 0.00 -1.58 0.00 0.00 42.46 40.12 1bnr s ILE 76 CO 0.41 0.03 0.50 0.59 -1.23 0.00 0.00 174.94 175.25 1bnr n ASN 77 N 2.64 -5.79 -4.77 3.58 4.13 -0.44 -4.17 115.26 110.44 1bnr n ASN 77 Ca -0.15 -0.24 -0.38 0.00 1.68 0.00 0.00 54.58 55.49 1bnr n ASN 77 Cb 0.57 -4.64 -0.02 0.00 -1.54 0.00 0.00 39.78 34.16 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1bnr s TYR 78 N -3.12 3.01 0.00 3.10 6.14 -1.25 -4.94 117.35 120.29 1bnr s TYR 78 Ca 0.25 1.53 0.00 0.00 0.64 0.00 0.00 57.07 59.48 1bnr s TYR 78 Cb -0.11 -3.45 0.00 0.00 0.42 0.00 0.00 41.96 38.82 1bnr s TYR 78 CO 0.31 -1.48 0.00 0.25 0.64 0.00 0.00 175.55 175.26 1bnr n THR 79 N 0.07 0.00 -3.92 4.34 -2.24 -1.26 -5.03 114.28 106.24 1bnr n THR 79 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1bnr n THR 79 Cb 0.46 -0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.00 0.01 0.65 3.42 0.15 -1.26 -4.96 113.70 112.71 1bnr s SER 80 Ca 0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1bnr s SER 80 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1bnr s SER 80 CO 0.00 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1bnr n GLY 81 N -0.77 0.66 3.39 9.45 0.00 -1.26 -4.76 105.19 111.90 1bnr n GLY 81 Ca -0.01 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 1.17 -1.26 0.00 1.61 3.01 -1.26 -4.39 117.46 116.34 1bnr n PHE 82 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1bnr n PHE 82 Cb 0.00 -1.71 0.00 0.00 -0.01 0.00 0.00 39.48 37.76 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 -2.31 0.31 -2.77 -1.08 5.12 -1.26 -4.93 116.66 109.74 1bnr n ARG 83 Ca 0.04 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.87 1bnr n ARG 83 Cb 0.57 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.85 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bnr n ASN 84 N -1.01 2.14 -0.05 0.55 6.94 -1.26 -4.97 115.26 117.60 1bnr n ASN 84 Ca 0.00 -1.65 0.01 0.00 -0.02 0.00 0.00 54.58 52.92 1bnr n ASN 84 Cb 0.00 0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 -1.25 0.99 -4.59 0.53 7.64 -1.26 -4.95 113.62 110.72 1bnr n SER 85 Ca -0.05 -0.99 -0.34 0.00 1.01 0.00 0.00 58.87 58.49 1bnr n SER 85 Cb 0.19 0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.24 5.42 -0.08 6.43 1.01 -1.26 -0.41 116.67 127.54 1bnr s ASP 86 Ca 0.02 0.01 -0.09 0.00 0.71 0.00 0.00 52.55 53.20 1bnr s ASP 86 Cb 0.01 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 42.04 1bnr s ASP 86 CO 0.02 0.15 0.26 -0.13 0.21 0.00 0.00 175.17 175.68 1bnr s ARG 87 N 0.48 0.35 -0.23 8.23 0.52 -0.50 -0.75 118.95 127.05 1bnr s ARG 87 Ca 0.02 0.26 -0.09 0.00 -0.52 0.00 0.00 55.73 55.40 1bnr s ARG 87 Cb -0.13 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 1bnr s ARG 87 CO 0.01 -0.05 0.12 -1.50 0.02 0.00 0.00 175.30 173.89 1bnr s ILE 88 N -0.09 4.99 -0.60 1.52 2.07 -0.12 -1.01 121.20 127.96 1bnr s ILE 88 Ca -0.02 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.08 1bnr s ILE 88 Cb -0.03 -3.31 0.10 0.00 0.13 0.00 0.00 42.46 39.36 1bnr s ILE 88 CO 0.01 0.37 0.71 -0.76 -1.91 0.00 0.00 174.94 173.36 1bnr s LEU 89 N 1.00 5.36 -0.11 8.50 2.01 0.59 -0.76 118.68 135.27 1bnr s LEU 89 Ca 0.06 -1.43 -0.08 0.00 0.01 0.00 0.00 54.13 52.70 1bnr s LEU 89 Cb -0.14 -2.31 -0.04 0.00 0.01 0.00 0.00 46.19 43.72 1bnr s LEU 89 CO 0.04 -1.13 0.17 -0.72 1.01 0.00 0.00 176.35 175.71 1bnr s TYR 90 N 2.73 3.61 0.41 0.29 -0.85 0.57 -1.28 117.35 122.83 1bnr s TYR 90 Ca 0.12 0.57 0.08 0.00 -0.52 0.00 0.00 57.07 57.32 1bnr s TYR 90 Cb -0.24 -1.97 -0.03 0.00 0.38 0.00 0.00 41.96 40.10 1bnr s TYR 90 CO 0.06 0.73 0.34 0.45 -1.52 0.00 0.00 175.55 175.61 1bnr s SER 91 N -1.05 4.96 0.57 -0.18 0.15 -0.05 -1.08 113.70 117.02 1bnr s SER 91 Ca 0.16 -0.78 0.37 0.00 0.70 0.00 0.00 55.95 56.40 1bnr s SER 91 Cb -0.12 -0.59 1.79 0.00 -1.71 0.00 0.00 66.02 65.39 1bnr s SER 91 CO 0.05 -0.61 2.12 0.77 1.20 0.00 0.00 173.24 176.77 1bnr h SER 92 N 1.12 0.00 -0.30 5.45 4.64 -1.92 -0.25 113.55 122.29 1bnr h SER 92 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1bnr h SER 92 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1bnr h SER 92 CO 0.59 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 1bnr n ASP 93 N -2.98 2.87 -1.41 4.97 5.75 -1.26 -4.85 116.55 119.64 1bnr n ASP 93 Ca -0.01 -2.31 -0.12 0.00 -0.01 0.00 0.00 54.79 52.34 1bnr n ASP 93 Cb 0.18 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.38 -0.59 -2.83 2.11 5.03 -0.11 -4.95 117.44 116.49 1bnr n TRP 94 Ca 0.13 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.23 1bnr n TRP 94 Cb 0.58 -2.76 -0.04 0.00 -1.03 0.00 0.00 31.31 28.06 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 -3.55 4.24 -0.33 -0.99 1.43 -1.23 -4.80 118.68 113.43 1bnr s LEU 95 Ca 0.00 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 1bnr s LEU 95 Cb -0.00 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 1bnr s LEU 95 CO 0.00 -1.44 0.35 -0.63 0.23 0.00 0.00 176.35 174.87 1bnr s ILE 96 N 4.18 5.18 0.30 -0.59 1.01 -1.25 -0.87 121.20 129.16 1bnr s ILE 96 Ca 0.24 0.08 0.11 0.00 0.00 0.00 0.00 60.65 61.08 1bnr s ILE 96 Cb -0.15 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1bnr s ILE 96 CO 0.12 -0.06 -0.13 -0.31 0.00 0.00 0.00 174.94 174.56 1bnr s TYR 97 N 2.00 2.39 0.02 3.97 1.51 -0.40 -1.60 117.35 125.23 1bnr s TYR 97 Ca 0.12 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1bnr s TYR 97 Cb -0.16 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1bnr s TYR 97 CO 0.11 0.65 -0.11 -1.59 -1.11 0.00 0.00 175.55 173.50 1bnr s LYS 98 N -3.57 0.80 -0.10 -0.62 -2.85 -0.13 -0.30 119.74 112.97 1bnr s LYS 98 Ca 0.31 -0.57 -0.00 0.00 -1.00 0.00 0.00 55.97 54.71 1bnr s LYS 98 Cb -0.03 -0.76 0.02 0.00 -2.06 0.00 0.00 37.83 35.00 1bnr s LYS 98 CO 0.16 0.19 -0.06 -0.08 0.10 0.00 0.00 175.35 175.66 1bnr s THR 99 N -0.64 0.92 -0.35 3.79 -1.32 -0.18 -1.31 115.64 116.55 1bnr s THR 99 Ca 0.01 -0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.35 1bnr s THR 99 Cb -0.06 -0.96 0.66 0.00 -1.51 0.00 0.00 72.50 70.63 1bnr s THR 99 CO 0.00 0.35 1.75 0.35 -2.21 0.00 0.00 174.62 174.86 1bnr n THR 100 N 4.92 2.90 -2.06 5.08 -2.24 -1.26 -1.41 114.28 120.21 1bnr n THR 100 Ca -0.12 -1.96 -0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1bnr n THR 100 Cb 0.50 -0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.68 0.04 -1.72 3.42 5.68 -1.14 -4.75 116.55 117.40 1bnr n ASP 101 Ca 0.44 -1.68 -0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1bnr n ASP 101 Cb 1.37 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 41.24 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 0.06 -0.43 -1.36 2.11 -0.00 0.45 -3.66 115.22 112.39 1bnr n HIS 102 Ca -0.01 0.17 -0.11 0.00 -0.00 0.00 0.00 57.72 57.76 1bnr n HIS 102 Cb 0.69 -1.87 -0.05 0.00 -0.00 0.00 0.00 29.99 28.76 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 -1.03 -0.51 0.13 1.57 4.01 -1.26 -4.72 117.16 115.34 1bnr n TYR 103 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 1bnr n TYR 103 Cb 0.45 -2.31 0.04 0.00 -0.31 0.00 0.00 39.34 37.21 1bnr n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bnr h GLN 104 N 0.00 0.00 -3.83 -0.72 4.20 -1.93 -3.47 115.11 109.36 1bnr h GLN 104 Ca -0.23 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1bnr h GLN 104 Cb 0.73 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.35 1bnr h GLN 104 CO 0.33 0.04 -0.48 0.95 -0.67 0.00 0.00 178.83 179.00 1bnr s THR 105 N -3.28 0.15 -0.06 -0.54 -4.23 -1.26 -5.02 115.64 101.40 1bnr s THR 105 Ca 0.02 -1.20 -0.03 0.00 -1.18 0.00 0.00 61.69 59.30 1bnr s THR 105 Cb 0.08 -1.14 0.04 0.00 1.34 0.00 0.00 72.50 72.82 1bnr s THR 105 CO 0.76 -0.66 0.10 -0.36 -0.54 0.00 0.00 174.62 173.91 1bnr s PHE 106 N -3.22 -0.03 -0.08 3.99 0.08 -1.26 -3.99 117.98 113.47 1bnr s PHE 106 Ca 0.00 0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.43 1bnr s PHE 106 Cb 0.02 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1bnr s PHE 106 CO -0.07 -0.24 -0.11 0.99 -0.10 0.00 0.00 175.22 175.69 1bnr s THR 107 N 2.22 3.27 -0.05 0.64 2.01 -0.43 -4.84 115.64 118.45 1bnr s THR 107 Ca 0.04 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1bnr s THR 107 Cb -0.12 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1bnr s THR 107 CO -0.04 0.57 0.83 -0.75 -0.69 0.00 0.00 174.62 174.54 1bnr s LYS 108 N -0.37 4.47 -0.06 4.92 2.20 -1.26 -0.95 119.74 128.68 1bnr s LYS 108 Ca 0.04 1.12 0.09 0.00 -0.36 0.00 0.00 55.97 56.87 1bnr s LYS 108 Cb -0.12 -3.47 0.14 0.00 -1.51 0.00 0.00 37.83 32.87 1bnr s LYS 108 CO 0.02 -0.04 1.07 0.44 -0.36 0.00 0.00 175.35 176.48 1bnr n ILE 109 N 3.96 0.92 0.00 5.43 -5.35 -0.63 -4.99 119.36 118.70 1bnr n ILE 109 Ca 0.03 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.41 1bnr n ILE 109 Cb 0.51 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33