#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 1.00 0.00 0.00 10.64 -1.26 -5.12 117.38 122.65 1bnr n GLN 2 Ca 0.00 -3.42 0.00 0.00 -1.83 0.00 0.00 57.00 51.75 1bnr n GLN 2 Cb 0.00 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 1bnr n GLN 2 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1bnr n VAL 3 N 0.85 0.00 -3.96 -0.39 0.24 -1.26 -4.48 118.33 109.33 1bnr n VAL 3 Ca 0.23 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.19 1bnr n VAL 3 Cb 0.57 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.00 2.74 -0.39 1.34 1.09 -1.26 -4.96 121.20 119.76 1bnr s ILE 4 Ca 0.00 -1.38 0.11 0.00 -1.10 0.00 0.00 60.65 58.28 1bnr s ILE 4 Cb 0.00 -2.54 0.38 0.00 -1.06 0.00 0.00 42.46 39.24 1bnr s ILE 4 CO 0.00 -0.02 1.04 -0.46 -0.10 0.00 0.00 174.94 175.40 1bnr n ASN 5 N 4.58 -0.48 -0.92 3.58 6.94 -1.26 -4.80 115.26 122.90 1bnr n ASN 5 Ca -0.14 -2.95 0.00 0.00 -0.02 0.00 0.00 54.58 51.47 1bnr n ASN 5 Cb 0.44 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 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 -0.02 0.00 -0.05 5.53 -2.24 -1.26 -1.76 114.28 114.48 1bnr n THR 6 Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1bnr n THR 6 Cb 0.76 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.88 -0.01 -0.08 4.78 0.04 -1.94 -2.64 116.94 117.96 1bnr h PHE 7 Ca 0.00 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1bnr h PHE 7 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1bnr h PHE 7 CO 0.00 0.22 -0.51 -0.44 -0.60 0.00 0.00 178.31 176.98 1bnr h ASP 8 N -1.00 0.25 0.00 2.17 3.32 -1.98 -1.26 116.42 117.92 1bnr h ASP 8 Ca -0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1bnr h ASP 8 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1bnr h ASP 8 CO 0.00 0.72 -0.00 1.23 -1.72 0.00 0.00 179.24 179.47 1bnr h GLY 9 N 1.37 -0.00 0.94 2.75 0.00 -1.97 -0.66 103.07 105.50 1bnr h GLY 9 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1bnr h GLY 9 CO 0.08 -0.00 -0.05 -2.08 0.00 0.00 0.00 176.54 174.48 1bnr h VAL 10 N -0.35 1.27 -0.80 4.60 2.07 -1.46 -1.58 116.25 120.01 1bnr h VAL 10 Ca -0.00 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.49 1bnr h VAL 10 Cb 0.35 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1bnr h VAL 10 CO 0.00 0.36 0.52 0.00 0.02 0.00 0.00 177.57 178.47 1bnr h ALA 11 N 0.84 1.63 0.48 1.67 0.00 -1.21 0.24 119.26 122.90 1bnr h ALA 11 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bnr h ALA 11 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1bnr h ALA 11 CO 0.03 0.25 -0.23 -0.44 0.00 0.00 0.00 179.25 178.86 1bnr h ASP 12 N 0.86 -0.55 0.07 0.00 3.32 -0.68 -1.49 116.42 117.96 1bnr h ASP 12 Ca 0.34 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1bnr h ASP 12 Cb 0.23 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1bnr h ASP 12 CO -0.12 -0.22 0.00 0.22 -1.72 0.00 0.00 179.24 177.41 1bnr h TYR 13 N -0.90 0.00 0.12 4.55 5.03 -0.80 0.33 116.97 125.31 1bnr h TYR 13 Ca -0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1bnr h TYR 13 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1bnr h TYR 13 CO 0.00 0.00 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.72 1bnr h LEU 14 N 0.00 -0.14 0.00 2.82 3.38 0.06 -0.81 115.31 120.61 1bnr h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bnr h LEU 14 Cb 0.04 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1bnr h LEU 14 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1bnr n GLN 15 N -3.33 0.17 -0.01 1.13 6.02 -0.62 0.77 117.38 121.51 1bnr n GLN 15 Ca -0.02 0.16 -0.01 0.00 -0.01 0.00 0.00 57.00 57.13 1bnr n GLN 15 Cb 0.07 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 1bnr n GLN 15 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1bnr h THR 16 N 0.00 0.00 -0.30 5.09 2.02 -0.35 -3.39 112.91 115.98 1bnr h THR 16 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1bnr h THR 16 Cb 0.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1bnr h THR 16 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1bnr n TYR 17 N -2.60 0.39 -4.15 3.16 4.02 -0.32 -4.92 117.16 112.74 1bnr n TYR 17 Ca -0.01 -0.19 -0.30 0.00 -0.01 0.00 0.00 57.90 57.39 1bnr n TYR 17 Cb 0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.67 -1.52 0.00 -0.72 8.25 0.23 -4.88 115.22 117.25 1bnr n HIS 18 Ca 0.16 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 1bnr n HIS 18 Cb 0.39 -3.20 0.00 0.00 1.12 0.00 0.00 29.99 28.30 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 -4.43 0.00 -1.40 -0.41 2.85 -1.23 -5.04 118.16 108.50 1bnr n LYS 19 Ca -0.22 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.65 1bnr n LYS 19 Cb 0.64 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.05 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 -0.65 -4.43 -5.58 4.77 -1.26 -4.63 117.00 105.22 1bnr n LEU 20 Ca 0.00 0.73 -0.32 0.00 -0.03 0.00 0.00 56.01 56.39 1bnr n LEU 20 Cb 0.00 -1.07 0.15 0.00 -2.33 0.00 0.00 43.42 40.17 1bnr n LEU 20 CO 0.00 -3.56 -0.03 -2.65 -1.33 0.00 0.00 177.39 169.82 1bnr n PRO 21 N 0.49 -0.73 0.00 3.23 -0.02 -1.26 -4.82 135.00 131.88 1bnr n PRO 21 Ca 0.11 -0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.49 1bnr n PRO 21 Cb 0.46 -1.92 0.41 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.06 0.00 -0.57 2.55 5.75 -1.26 -1.83 116.55 119.13 1bnr n ASP 22 Ca 0.06 0.05 0.13 0.00 -0.01 0.00 0.00 54.79 55.03 1bnr n ASP 22 Cb 0.55 -0.29 0.44 0.00 -1.03 0.00 0.00 41.12 40.80 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bnr n ASN 23 N -1.29 1.78 -4.51 -1.12 0.23 -1.26 -4.78 115.26 104.31 1bnr n ASN 23 Ca 0.08 -1.60 -0.43 0.00 -0.53 0.00 0.00 54.58 52.10 1bnr n ASN 23 Cb 0.13 -0.01 -0.06 0.00 -2.08 0.00 0.00 39.78 37.77 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 -1.99 2.97 -0.27 -2.53 1.51 -0.76 -1.52 117.35 114.77 1bnr s TYR 24 Ca 0.36 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.30 1bnr s TYR 24 Cb 0.21 -3.68 0.02 0.00 -0.11 0.00 0.00 41.96 38.40 1bnr s TYR 24 CO 0.33 -1.07 0.00 0.96 -1.11 0.00 0.00 175.55 174.66 1bnr s ILE 25 N 3.22 3.39 1.04 2.71 -5.25 0.14 -4.69 121.20 121.76 1bnr s ILE 25 Ca 0.25 -0.84 -0.24 0.00 -0.99 0.00 0.00 60.65 58.83 1bnr s ILE 25 Cb -0.14 -2.72 -0.08 0.00 2.95 0.00 0.00 42.46 42.46 1bnr s ILE 25 CO 0.19 0.16 -0.91 0.35 -1.79 0.00 0.00 174.94 172.93 1bnr n THR 26 N 4.76 0.00 -0.18 8.37 -2.24 -1.22 -3.85 114.28 119.93 1bnr n THR 26 Ca -0.16 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1bnr n THR 26 Cb 0.48 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.39 0.94 -0.32 -0.78 1.57 -1.89 -2.48 116.57 112.22 1bnr h LYS 27 Ca -0.45 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.04 1bnr h LYS 27 Cb 1.38 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1bnr h LYS 27 CO 0.28 0.98 0.14 0.77 -0.57 0.00 0.00 179.45 181.05 1bnr h SER 28 N 0.81 0.20 -0.97 0.86 0.02 -1.99 0.28 113.55 112.76 1bnr h SER 28 Ca 0.14 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.35 1bnr h SER 28 Cb 0.59 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 1bnr h SER 28 CO 0.04 0.15 0.64 -0.33 -1.14 0.00 0.00 176.83 176.19 1bnr h GLU 29 N 0.30 0.37 -0.34 3.45 4.39 -1.79 0.98 114.58 121.94 1bnr h GLU 29 Ca 0.14 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 1bnr h GLU 29 Cb 0.07 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1bnr h GLU 29 CO -0.11 0.24 -0.38 0.00 -1.16 0.00 0.00 179.01 177.61 1bnr h ALA 30 N 1.60 0.50 0.00 3.43 0.00 -0.09 -1.52 119.26 123.19 1bnr h ALA 30 Ca 0.52 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bnr h ALA 30 Cb 1.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1bnr h ALA 30 CO -0.21 0.60 0.00 1.96 0.00 0.00 0.00 179.25 181.59 1bnr h GLN 31 N 0.64 0.00 -0.09 0.00 1.08 0.28 -0.88 115.11 116.15 1bnr h GLN 31 Ca 0.05 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1bnr h GLN 31 Cb 0.97 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1bnr h GLN 31 CO 0.09 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 177.91 1bnr h ALA 32 N 2.00 0.13 -0.00 3.87 0.00 0.06 -3.12 119.26 122.19 1bnr h ALA 32 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bnr h ALA 32 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bnr h ALA 32 CO 0.00 -0.08 -0.00 1.47 0.00 0.00 0.00 179.25 180.63 1bnr n LEU 33 N -4.72 0.27 0.00 0.00 -0.00 -0.88 -4.84 117.00 106.83 1bnr n LEU 33 Ca -0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1bnr n LEU 33 Cb 0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 1bnr n LEU 33 CO 0.36 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.41 1bnr n GLY 34 N 1.03 1.77 3.66 1.47 0.00 -1.15 -4.95 105.19 107.03 1bnr n GLY 34 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 3.38 -0.36 1.61 -0.00 -0.39 -4.88 118.94 116.30 1bnr s TRP 35 Ca 0.00 0.93 -0.20 0.00 -0.00 0.00 0.00 56.10 56.84 1bnr s TRP 35 Cb 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 33.47 30.67 1bnr s TRP 35 CO 0.00 -0.17 0.59 0.08 -0.00 0.00 0.00 176.95 177.45 1bnr s VAL 36 N 1.91 4.93 0.58 5.86 1.01 -1.26 -3.96 120.40 129.48 1bnr s VAL 36 Ca 0.29 0.47 0.28 0.00 0.00 0.00 0.00 61.98 63.02 1bnr s VAL 36 Cb -0.16 -4.04 0.35 0.00 0.00 0.00 0.00 36.38 32.53 1bnr s VAL 36 CO 0.10 -0.29 2.24 0.00 0.00 0.00 0.00 175.10 177.16 1bnr h ALA 37 N 8.48 1.57 0.00 5.51 0.00 -1.95 0.33 119.26 133.20 1bnr h ALA 37 Ca -0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1bnr h ALA 37 Cb 1.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bnr h ALA 37 CO 0.82 0.00 -0.17 0.77 0.00 0.00 0.00 179.25 180.67 1bnr h SER 38 N 0.00 0.00 0.38 0.00 0.02 -2.04 -3.28 113.55 108.63 1bnr h SER 38 Ca -0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1bnr h SER 38 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1bnr h SER 38 CO 0.00 0.80 0.00 0.29 -1.14 0.00 0.00 176.83 176.78 1bnr n LYS 39 N -4.67 0.08 -3.25 3.45 4.76 -1.11 -4.92 118.16 112.50 1bnr n LYS 39 Ca -0.07 0.23 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1bnr n LYS 39 Cb 0.27 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.97 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 -0.13 -0.32 2.69 0.72 0.00 0.11 -4.93 105.19 103.34 1bnr n GLY 40 Ca 0.04 0.46 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 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 0.71 1.95 -0.23 1.61 6.94 -1.25 -4.53 115.26 120.46 1bnr n ASN 41 Ca -0.02 -2.53 -0.08 0.00 -0.02 0.00 0.00 54.58 51.93 1bnr n ASN 41 Cb 0.52 -0.49 0.04 0.00 -2.36 0.00 0.00 39.78 37.49 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 2.74 0.98 0.00 -4.53 5.85 -1.87 -1.14 115.31 117.34 1bnr h LEU 42 Ca -0.06 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1bnr h LEU 42 Cb 1.23 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1bnr h LEU 42 CO 0.39 0.95 0.00 0.00 -0.34 0.00 0.00 178.44 179.45 1bnr n ALA 43 N -2.43 1.25 -0.10 1.25 0.00 -1.26 0.15 120.51 119.37 1bnr n ALA 43 Ca 0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1bnr n ALA 43 Cb 0.24 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 1bnr n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bnr n ASP 44 N -1.46 1.73 -0.08 0.00 8.00 -0.50 -4.34 116.55 119.90 1bnr n ASP 44 Ca 0.01 -0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1bnr n ASP 44 Cb 0.05 0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.99 0.90 -3.05 2.53 0.24 -0.80 -4.79 118.33 110.37 1bnr n VAL 45 Ca -0.36 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.34 61.42 1bnr n VAL 45 Cb 0.97 -1.38 -0.04 0.00 -1.47 0.00 0.00 33.84 31.93 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 -3.34 3.52 -0.62 2.33 0.00 0.20 -5.00 120.51 117.60 1bnr n ALA 46 Ca -0.30 -4.14 -0.28 0.00 0.00 0.00 0.00 53.44 48.72 1bnr n ALA 46 Cb 0.76 -0.82 0.25 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.02 -1.10 -1.44 0.00 0.04 0.41 -3.68 135.00 126.20 1bnr s PRO 47 Ca 0.45 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.08 1bnr s PRO 47 Cb 0.31 -1.55 0.01 0.00 0.04 0.00 0.00 34.50 33.31 1bnr s PRO 47 CO -0.11 -3.80 0.24 0.41 0.04 0.00 0.00 177.00 173.78 1bnr n GLY 48 N 0.59 -0.30 2.84 0.56 0.00 -1.26 -4.93 105.19 102.68 1bnr n GLY 48 Ca 0.04 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -7.17 0.07 -0.26 1.61 3.01 -1.24 -5.00 119.74 110.76 1bnr s LYS 49 Ca 0.11 0.04 -0.10 0.00 -1.01 0.00 0.00 55.97 55.01 1bnr s LYS 49 Cb -0.06 -0.17 -0.04 0.00 -1.01 0.00 0.00 37.83 36.55 1bnr s LYS 49 CO 0.97 -0.05 0.15 -1.12 0.51 0.00 0.00 175.35 175.80 1bnr s SER 50 N 0.41 5.81 -0.60 2.83 0.01 -0.58 -4.87 113.70 116.71 1bnr s SER 50 Ca -0.04 -0.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.92 1bnr s SER 50 Cb -0.05 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.14 1bnr s SER 50 CO -0.01 -0.01 1.23 -0.63 0.41 0.00 0.00 173.24 174.24 1bnr s ILE 51 N 1.48 3.94 0.23 1.44 -1.09 -1.25 0.27 121.20 126.22 1bnr s ILE 51 Ca 0.07 0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1bnr s ILE 51 Cb -0.15 -4.73 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 1bnr s ILE 51 CO 0.07 -1.40 0.19 -0.83 -1.23 0.00 0.00 174.94 171.74 1bnr s GLY 52 N 3.25 1.56 0.00 6.18 0.00 -1.25 0.66 107.32 117.72 1bnr s GLY 52 Ca 0.43 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1bnr s GLY 52 CO 0.24 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.59 1bnr n GLY 53 N -0.35 0.76 3.82 0.20 0.00 -0.24 -3.44 105.19 105.94 1bnr n GLY 53 Ca 0.03 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.08 6.98 0.34 1.61 1.01 -1.12 -4.88 116.67 118.54 1bnr s ASP 54 Ca 0.00 1.45 -0.28 0.00 0.71 0.00 0.00 52.55 54.43 1bnr s ASP 54 Cb 0.00 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 1bnr s ASP 54 CO 0.00 -0.10 1.20 -0.63 0.21 0.00 0.00 175.17 175.85 1bnr s ILE 55 N -1.76 3.08 -0.52 0.77 -1.09 -1.26 -1.59 121.20 118.83 1bnr s ILE 55 Ca 0.50 1.02 0.03 0.00 -2.23 0.00 0.00 60.65 59.97 1bnr s ILE 55 Cb -0.14 -3.63 0.13 0.00 -1.58 0.00 0.00 42.46 37.25 1bnr s ILE 55 CO 0.19 0.20 0.26 0.12 -1.23 0.00 0.00 174.94 174.48 1bnr s PHE 56 N -1.24 3.25 -1.52 3.97 5.36 -0.28 -4.76 117.98 122.76 1bnr s PHE 56 Ca 0.50 -3.12 0.16 0.00 -0.96 0.00 0.00 56.93 53.52 1bnr s PHE 56 Cb -0.34 -2.87 0.82 0.00 -0.34 0.00 0.00 43.02 40.28 1bnr s PHE 56 CO 0.45 -0.77 1.43 -1.13 -1.46 0.00 0.00 175.22 173.74 1bnr n SER 57 N 3.24 0.00 -1.80 6.13 3.41 -1.26 -3.13 113.62 120.21 1bnr n SER 57 Ca 0.05 -0.03 -0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1bnr n SER 57 Cb 0.33 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1bnr n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bnr n ASN 58 N -1.24 -3.18 -0.00 4.04 2.85 -1.26 -4.68 115.26 111.78 1bnr n ASN 58 Ca 0.08 0.36 -0.01 0.00 -0.11 0.00 0.00 54.58 54.90 1bnr n ASN 58 Cb 0.11 -2.08 -0.00 0.00 1.24 0.00 0.00 39.78 39.05 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 0.80 -0.02 0.00 1.20 1.12 -1.93 -3.37 114.38 112.19 1bnr h ARG 59 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 1bnr h ARG 59 Cb 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 1bnr h ARG 59 CO 0.02 -0.01 -0.40 -1.91 -3.11 0.00 0.00 179.97 174.56 1bnr n GLU 60 N -2.79 0.29 0.00 0.20 4.07 -1.26 -5.07 120.64 116.08 1bnr n GLU 60 Ca -0.00 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 1bnr n GLU 60 Cb 0.01 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 1bnr n GLU 60 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bnr n GLY 61 N 1.61 0.04 0.09 8.31 0.00 -1.26 -5.02 105.19 108.95 1bnr n GLY 61 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 1.98 -3.54 1.61 4.76 -1.26 -5.01 118.16 116.70 1bnr n LYS 62 Ca 0.00 -0.43 -0.33 0.00 -2.87 0.00 0.00 58.31 54.68 1bnr n LYS 62 Cb 0.00 -0.90 -0.05 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.00 4.27 0.99 -0.35 1.43 -1.26 -4.90 118.68 117.86 1bnr s LEU 63 Ca 0.03 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1bnr s LEU 63 Cb 0.03 -3.30 0.19 0.00 0.03 0.00 0.00 46.19 43.13 1bnr s LEU 63 CO 0.07 0.06 1.11 -2.84 0.23 0.00 0.00 176.35 174.99 1bnr s PRO 64 N -2.39 0.46 0.00 1.29 0.02 -1.26 -4.61 135.00 128.50 1bnr s PRO 64 Ca 0.40 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1bnr s PRO 64 Cb -0.13 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1bnr s PRO 64 CO 0.21 -2.94 0.00 0.41 -0.33 0.00 0.00 177.00 174.35 1bnr n GLY 65 N 0.35 1.38 3.68 0.52 0.00 -1.26 -5.00 105.19 104.86 1bnr n GLY 65 Ca 0.09 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1bnr n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnr s LYS 66 N 0.00 1.48 -0.79 1.61 -0.14 -1.26 -5.04 119.74 115.61 1bnr s LYS 66 Ca 0.00 -0.73 -0.25 0.00 -1.36 0.00 0.00 55.97 53.62 1bnr s LYS 66 Cb 0.00 0.56 -0.06 0.00 -1.68 0.00 0.00 37.83 36.65 1bnr s LYS 66 CO 0.00 -0.67 2.06 0.45 -0.76 0.00 0.00 175.35 176.43 1bnr s SER 67 N -2.84 4.84 0.00 2.83 0.15 -1.26 -2.23 113.70 115.20 1bnr s SER 67 Ca 0.07 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1bnr s SER 67 Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1bnr s SER 67 CO -0.01 -2.93 0.00 0.61 1.20 0.00 0.00 173.24 172.11 1bnr n GLY 68 N 6.55 1.61 3.90 9.45 0.00 -1.26 -5.12 105.19 120.32 1bnr n GLY 68 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.19 3.52 -0.56 1.61 3.52 -0.95 -5.01 118.95 120.89 1bnr s ARG 69 Ca 0.00 0.30 -0.22 0.00 -0.13 0.00 0.00 55.73 55.68 1bnr s ARG 69 Cb 0.00 -2.31 0.06 0.00 -1.56 0.00 0.00 34.95 31.14 1bnr s ARG 69 CO 0.00 -0.30 0.83 0.99 -0.81 0.00 0.00 175.30 176.01 1bnr s THR 70 N -2.84 4.56 0.28 4.11 2.01 -1.26 -4.73 115.64 117.77 1bnr s THR 70 Ca 0.49 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.37 1bnr s THR 70 Cb -0.10 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 1bnr s THR 70 CO 0.47 -1.10 0.18 0.26 -0.69 0.00 0.00 174.62 173.74 1bnr s TRP 71 N 3.47 2.97 -0.10 4.92 0.52 -1.18 -4.48 118.94 125.05 1bnr s TRP 71 Ca 0.22 -0.19 0.03 0.00 0.02 0.00 0.00 56.10 56.18 1bnr s TRP 71 Cb -0.16 -1.47 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 1bnr s TRP 71 CO 0.14 0.45 -0.20 1.03 0.02 0.00 0.00 176.95 178.39 1bnr s ARG 72 N -3.85 3.06 0.04 4.98 1.81 -0.00 -1.12 118.95 123.87 1bnr s ARG 72 Ca 0.35 -0.81 0.03 0.00 -1.72 0.00 0.00 55.73 53.57 1bnr s ARG 72 Cb -0.07 -2.39 -0.04 0.00 -0.45 0.00 0.00 34.95 32.00 1bnr s ARG 72 CO 0.24 0.24 0.02 -1.83 -0.68 0.00 0.00 175.30 173.30 1bnr s GLU 73 N 0.22 2.75 0.03 3.54 -1.05 -0.62 0.03 118.70 123.60 1bnr s GLU 73 Ca -0.13 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.03 1bnr s GLU 73 Cb -0.16 -2.65 -0.02 0.00 -0.44 0.00 0.00 34.13 30.85 1bnr s GLU 73 CO 0.07 0.59 -0.08 0.00 0.95 0.00 0.00 175.26 176.78 1bnr s ALA 74 N -1.22 0.63 0.24 -0.84 0.00 0.20 -1.08 121.76 119.68 1bnr s ALA 74 Ca 0.24 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1bnr s ALA 74 Cb -0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 1bnr s ALA 74 CO 0.15 0.04 1.24 -0.51 0.00 0.00 0.00 175.76 176.68 1bnr s ASP 75 N -1.21 7.00 -0.03 0.00 1.11 0.21 -0.51 116.67 123.23 1bnr s ASP 75 Ca -0.06 2.40 0.02 0.00 0.18 0.00 0.00 52.55 55.09 1bnr s ASP 75 Cb -0.08 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.30 1bnr s ASP 75 CO 0.00 -0.41 -0.08 -0.63 1.18 0.00 0.00 175.17 175.23 1bnr s ILE 76 N -0.48 0.75 0.16 0.77 -1.09 -0.47 -4.69 121.20 116.15 1bnr s ILE 76 Ca 0.51 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1bnr s ILE 76 Cb -0.35 -0.69 0.00 0.00 -1.58 0.00 0.00 42.46 39.84 1bnr s ILE 76 CO 0.42 0.24 0.00 0.59 -1.23 0.00 0.00 174.94 174.96 1bnr n ASN 77 N 3.43 -5.82 -3.64 3.58 3.02 -0.72 -4.32 115.26 110.79 1bnr n ASN 77 Ca -0.20 0.72 -0.06 0.00 -0.03 0.00 0.00 54.58 55.02 1bnr n ASN 77 Cb 0.54 -2.64 -0.07 0.00 -0.61 0.00 0.00 39.78 37.00 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 -0.94 -0.43 0.00 3.10 6.14 -1.26 -4.84 117.35 119.12 1bnr s TYR 78 Ca 0.00 0.96 0.00 0.00 0.64 0.00 0.00 57.07 58.67 1bnr s TYR 78 Cb 0.00 0.36 0.00 0.00 0.42 0.00 0.00 41.96 42.74 1bnr s TYR 78 CO 0.00 -0.21 0.00 0.25 0.64 0.00 0.00 175.55 176.23 1bnr n THR 79 N 2.62 0.00 -3.65 4.34 -2.24 -1.26 -5.04 114.28 109.05 1bnr n THR 79 Ca -0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1bnr n THR 79 Cb 0.57 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1bnr n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bnr s SER 80 N 0.77 -0.31 0.00 3.42 1.04 -1.26 -4.85 113.70 112.51 1bnr s SER 80 Ca 0.00 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1bnr s SER 80 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1bnr s SER 80 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1bnr n GLY 81 N 0.46 -1.64 3.41 7.32 0.00 -1.26 -5.00 105.19 108.49 1bnr n GLY 81 Ca -0.18 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.03 -1.32 -0.37 1.61 3.01 -1.26 -4.81 117.46 114.29 1bnr n PHE 82 Ca 0.00 -0.07 -0.27 0.00 1.01 0.00 0.00 57.45 58.12 1bnr n PHE 82 Cb 0.00 -1.66 0.25 0.00 -0.01 0.00 0.00 39.48 38.05 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 -4.10 -3.63 -3.06 -1.08 1.74 -1.26 -5.01 116.66 100.26 1bnr n ARG 83 Ca 0.02 -1.07 -0.13 0.00 -0.77 0.00 0.00 57.85 55.90 1bnr n ARG 83 Cb 0.56 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 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 -4.23 2.51 -0.97 0.55 2.04 -1.26 -5.05 115.26 108.85 1bnr n ASN 84 Ca 0.09 -1.93 -0.01 0.00 -0.44 0.00 0.00 54.58 52.29 1bnr n ASN 84 Cb 0.53 0.13 0.20 0.00 -2.53 0.00 0.00 39.78 38.12 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1bnr n SER 85 N -1.21 2.23 -4.36 0.53 3.41 -1.26 -4.97 113.62 107.99 1bnr n SER 85 Ca -0.08 -3.81 -0.33 0.00 -0.26 0.00 0.00 58.87 54.39 1bnr n SER 85 Cb 0.27 -0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnr s ASP 86 N -2.76 4.00 -0.23 4.04 1.11 -1.26 -0.65 116.67 120.92 1bnr s ASP 86 Ca 0.42 -0.34 -0.19 0.00 0.18 0.00 0.00 52.55 52.62 1bnr s ASP 86 Cb 0.39 -1.62 0.06 0.00 1.07 0.00 0.00 42.92 42.83 1bnr s ASP 86 CO -0.02 0.14 0.60 -0.13 1.18 0.00 0.00 175.17 176.94 1bnr s ARG 87 N 0.47 0.67 -0.18 8.23 0.52 -0.57 -1.37 118.95 126.72 1bnr s ARG 87 Ca -0.09 0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 55.85 1bnr s ARG 87 Cb -0.16 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1bnr s ARG 87 CO 0.04 -0.10 0.45 -1.50 0.02 0.00 0.00 175.30 174.21 1bnr s ILE 88 N 0.65 5.17 -0.58 1.52 2.07 0.33 -1.51 121.20 128.86 1bnr s ILE 88 Ca -0.03 0.82 -0.18 0.00 -1.41 0.00 0.00 60.65 59.85 1bnr s ILE 88 Cb -0.05 -3.78 0.11 0.00 0.13 0.00 0.00 42.46 38.87 1bnr s ILE 88 CO -0.04 0.25 0.66 -0.76 -1.91 0.00 0.00 174.94 173.14 1bnr s LEU 89 N 1.23 5.51 -0.07 8.50 2.01 0.56 -0.63 118.68 135.80 1bnr s LEU 89 Ca 0.22 -1.47 -0.10 0.00 0.01 0.00 0.00 54.13 52.79 1bnr s LEU 89 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 46.19 43.71 1bnr s LEU 89 CO 0.09 -1.06 0.24 -0.72 1.01 0.00 0.00 176.35 175.91 1bnr s TYR 90 N 2.49 3.64 0.45 0.29 1.13 0.10 -1.26 117.35 124.20 1bnr s TYR 90 Ca 0.10 0.69 0.07 0.00 -1.41 0.00 0.00 57.07 56.52 1bnr s TYR 90 Cb -0.25 -2.06 -0.00 0.00 -1.10 0.00 0.00 41.96 38.54 1bnr s TYR 90 CO 0.06 0.70 0.39 -1.12 -2.51 0.00 0.00 175.55 173.06 1bnr s SER 91 N -1.10 4.90 0.57 -0.18 0.01 -0.01 -0.82 113.70 117.07 1bnr s SER 91 Ca 0.19 -0.90 0.34 0.00 1.31 0.00 0.00 55.95 56.89 1bnr s SER 91 Cb -0.14 -0.29 1.72 0.00 0.21 0.00 0.00 66.02 67.51 1bnr s SER 91 CO 0.08 -0.78 2.14 0.77 0.41 0.00 0.00 173.24 175.86 1bnr h SER 92 N 0.96 0.00 -0.30 2.44 4.64 -1.91 -0.27 113.55 119.11 1bnr h SER 92 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1bnr h SER 92 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1bnr h SER 92 CO 0.58 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 1bnr n ASP 93 N -3.34 3.00 -1.17 4.97 5.75 -1.26 -4.84 116.55 119.67 1bnr n ASP 93 Ca -0.02 -2.35 -0.13 0.00 -0.01 0.00 0.00 54.79 52.28 1bnr n ASP 93 Cb 0.21 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.74 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 0.35 -0.24 -2.54 2.11 5.03 -0.11 -4.93 117.44 117.12 1bnr n TRP 94 Ca 0.13 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.25 1bnr n TRP 94 Cb 0.62 -2.52 -0.03 0.00 -1.03 0.00 0.00 31.31 28.35 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 -3.21 3.22 -0.30 -0.99 1.43 -1.24 -4.76 118.68 112.83 1bnr s LEU 95 Ca 0.00 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1bnr s LEU 95 Cb 0.00 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 1bnr s LEU 95 CO 0.00 -1.79 0.36 -0.63 0.23 0.00 0.00 176.35 174.52 1bnr s ILE 96 N 5.70 5.18 0.29 -0.59 1.01 -1.25 -0.83 121.20 130.71 1bnr s ILE 96 Ca 0.38 0.35 0.11 0.00 0.00 0.00 0.00 60.65 61.49 1bnr s ILE 96 Cb -0.08 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1bnr s ILE 96 CO 0.17 0.07 -0.18 -0.31 0.00 0.00 0.00 174.94 174.69 1bnr s TYR 97 N 2.04 2.30 -0.09 3.97 1.51 -0.39 -1.63 117.35 125.06 1bnr s TYR 97 Ca 0.13 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1bnr s TYR 97 Cb -0.16 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1bnr s TYR 97 CO 0.11 0.69 -0.05 -1.59 -1.11 0.00 0.00 175.55 173.59 1bnr s LYS 98 N -3.53 1.19 -0.15 -0.62 -2.85 0.08 -0.32 119.74 113.54 1bnr s LYS 98 Ca 0.30 -0.14 -0.04 0.00 -1.00 0.00 0.00 55.97 55.10 1bnr s LYS 98 Cb -0.03 -1.30 -0.03 0.00 -2.06 0.00 0.00 37.83 34.40 1bnr s LYS 98 CO 0.15 -0.23 -0.03 -0.08 0.10 0.00 0.00 175.35 175.26 1bnr s THR 99 N 1.60 3.96 -0.22 3.79 -1.32 -0.57 -1.53 115.64 121.35 1bnr s THR 99 Ca 0.01 -0.34 0.16 0.00 -1.21 0.00 0.00 61.69 60.31 1bnr s THR 99 Cb -0.13 -2.73 0.37 0.00 -1.51 0.00 0.00 72.50 68.51 1bnr s THR 99 CO -0.05 0.50 1.27 0.35 -2.21 0.00 0.00 174.62 174.48 1bnr n THR 100 N 3.37 1.90 -2.14 5.08 -2.24 -1.26 -1.52 114.28 117.48 1bnr n THR 100 Ca -0.17 -1.86 0.02 0.00 -2.27 0.00 0.00 64.05 59.76 1bnr n THR 100 Cb 0.53 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.76 0.43 -1.63 3.42 5.68 -1.06 -4.70 116.55 117.93 1bnr n ASP 101 Ca 0.17 -2.06 -0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1bnr n ASP 101 Cb 0.70 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.12 -0.25 -1.42 2.11 -0.00 0.18 -3.68 115.22 112.27 1bnr n HIS 102 Ca 0.03 0.10 -0.11 0.00 -0.00 0.00 0.00 57.72 57.74 1bnr n HIS 102 Cb 0.85 -1.72 -0.04 0.00 -0.00 0.00 0.00 29.99 29.08 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 -1.02 -0.57 0.52 1.57 4.01 -1.26 -4.72 117.16 115.68 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 0.47 -2.32 0.05 0.00 -0.31 0.00 0.00 39.34 37.22 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 -1.81 0.32 -3.77 -0.72 6.02 -1.24 -4.90 117.38 111.28 1bnr n GLN 104 Ca -0.11 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 1bnr n GLN 104 Cb 0.38 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 1bnr n GLN 104 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1bnr s THR 105 N -3.21 0.03 -0.17 5.09 -1.32 -1.26 -4.98 115.64 109.81 1bnr s THR 105 Ca 0.03 -0.27 -0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1bnr s THR 105 Cb 0.14 -0.52 0.06 0.00 -1.51 0.00 0.00 72.50 70.66 1bnr s THR 105 CO 0.79 -0.15 0.04 -0.36 -2.21 0.00 0.00 174.62 172.73 1bnr s PHE 106 N -0.64 0.78 -0.17 9.09 0.40 -1.26 -3.49 117.98 122.69 1bnr s PHE 106 Ca -0.07 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.51 1bnr s PHE 106 Cb -0.04 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1bnr s PHE 106 CO 0.02 -0.55 0.20 0.99 0.70 0.00 0.00 175.22 176.59 1bnr s THR 107 N 1.94 5.37 -0.18 0.64 2.01 -0.58 -4.75 115.64 120.09 1bnr s THR 107 Ca 0.01 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1bnr s THR 107 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1bnr s THR 107 CO -0.08 0.44 1.02 -0.75 -0.69 0.00 0.00 174.62 174.57 1bnr s LYS 108 N 0.22 4.33 -0.08 4.92 2.20 -1.26 -0.74 119.74 129.33 1bnr s LYS 108 Ca 0.12 1.37 0.11 0.00 -0.36 0.00 0.00 55.97 57.22 1bnr s LYS 108 Cb -0.12 -3.60 0.18 0.00 -1.51 0.00 0.00 37.83 32.78 1bnr s LYS 108 CO 0.01 -0.49 1.10 0.44 -0.36 0.00 0.00 175.35 176.05 1bnr n ILE 109 N 4.99 1.53 -0.69 5.43 -5.35 -0.65 -5.00 119.36 119.62 1bnr n ILE 109 Ca 0.11 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.85 1bnr n ILE 109 Cb 0.47 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33