#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 0.03 0.03 0.00 1.03 -1.26 -5.18 119.66 114.31 1bnr s GLN 2 Ca 0.00 0.04 -0.22 0.00 0.04 0.00 0.00 55.36 55.21 1bnr s GLN 2 Cb 0.00 0.02 0.05 0.00 0.03 0.00 0.00 33.01 33.11 1bnr s GLN 2 CO 0.00 -0.00 0.52 0.14 -2.54 0.00 0.00 175.29 173.40 1bnr s VAL 3 N -0.01 0.03 -0.44 3.63 -7.23 -1.26 -5.12 120.40 110.00 1bnr s VAL 3 Ca 0.08 -0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1bnr s VAL 3 Cb -0.05 -0.95 0.15 0.00 0.56 0.00 0.00 36.38 36.08 1bnr s VAL 3 CO -0.16 -0.14 0.27 -0.63 -0.31 0.00 0.00 175.10 174.14 1bnr s ILE 4 N -2.26 1.12 -0.35 -0.62 1.09 -1.26 -4.95 121.20 113.97 1bnr s ILE 4 Ca -0.06 -2.56 0.15 0.00 -1.10 0.00 0.00 60.65 57.07 1bnr s ILE 4 Cb -0.01 -1.78 0.41 0.00 -1.06 0.00 0.00 42.46 40.02 1bnr s ILE 4 CO -0.00 -0.98 0.93 -0.46 -0.10 0.00 0.00 174.94 174.32 1bnr n ASN 5 N 3.38 0.71 -2.36 3.58 6.94 -1.26 -4.72 115.26 121.54 1bnr n ASN 5 Ca 0.14 -2.84 -0.11 0.00 -0.02 0.00 0.00 54.58 51.75 1bnr n ASN 5 Cb 0.37 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.48 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 0.03 0.00 0.05 5.53 -2.24 -1.26 0.13 114.28 116.51 1bnr n THR 6 Ca 0.13 -1.34 -0.06 0.00 -2.27 0.00 0.00 64.05 60.51 1bnr n THR 6 Cb 0.76 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.67 -0.21 -0.05 4.78 0.04 -1.96 -1.96 116.94 119.25 1bnr h PHE 7 Ca -0.16 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.47 1bnr h PHE 7 Cb 0.77 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1bnr h PHE 7 CO 0.00 0.04 -0.56 -0.44 -0.60 0.00 0.00 178.31 176.75 1bnr h ASP 8 N -1.02 0.16 0.16 2.17 5.19 -1.98 -0.82 116.42 120.29 1bnr h ASP 8 Ca -0.02 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1bnr h ASP 8 Cb 0.34 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1bnr h ASP 8 CO 0.04 0.69 -0.08 1.23 -3.12 0.00 0.00 179.24 178.00 1bnr h GLY 9 N 1.51 -0.23 0.78 2.75 0.00 -1.96 -0.38 103.07 105.54 1bnr h GLY 9 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1bnr h GLY 9 CO 0.08 -0.08 -0.03 -2.08 0.00 0.00 0.00 176.54 174.43 1bnr h VAL 10 N -0.67 1.28 -0.90 4.60 2.07 -1.39 -1.60 116.25 119.65 1bnr h VAL 10 Ca -0.02 -0.97 0.11 0.00 0.82 0.00 0.00 66.70 66.64 1bnr h VAL 10 Cb 0.49 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1bnr h VAL 10 CO 0.04 0.29 0.58 0.00 0.02 0.00 0.00 177.57 178.49 1bnr h ALA 11 N 0.73 1.66 0.44 1.67 0.00 -1.21 0.23 119.26 122.79 1bnr h ALA 11 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bnr h ALA 11 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bnr h ALA 11 CO 0.01 0.15 -0.21 -0.44 0.00 0.00 0.00 179.25 178.76 1bnr h ASP 12 N 0.86 -0.50 0.22 0.00 3.32 -0.70 -1.40 116.42 118.22 1bnr h ASP 12 Ca 0.42 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1bnr h ASP 12 Cb 0.46 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1bnr h ASP 12 CO -0.19 -0.25 0.00 0.22 -1.72 0.00 0.00 179.24 177.30 1bnr h TYR 13 N -0.74 0.00 0.14 4.55 5.03 -0.50 0.17 116.97 125.62 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 0.53 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.81 1bnr h TYR 13 CO -0.01 0.00 -0.07 -0.07 -1.32 0.00 0.00 178.16 176.69 1bnr h LEU 14 N 0.00 -0.16 -0.22 2.82 3.38 0.29 -0.43 115.31 120.99 1bnr h LEU 14 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bnr h LEU 14 Cb 0.11 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1bnr h LEU 14 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1bnr n GLN 15 N -3.97 0.07 -0.04 1.13 10.64 -0.61 0.73 117.38 125.33 1bnr n GLN 15 Ca -0.02 0.29 -0.02 0.00 -1.83 0.00 0.00 57.00 55.41 1bnr n GLN 15 Cb 0.08 -1.62 -0.01 0.00 -0.86 0.00 0.00 30.24 27.83 1bnr n GLN 15 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1bnr h THR 16 N 0.00 0.00 -0.01 -0.39 2.02 -0.72 -3.39 112.91 110.42 1bnr h THR 16 Ca 0.00 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1bnr h THR 16 Cb 0.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1bnr h THR 16 CO 0.00 0.00 -0.01 -1.22 0.37 0.00 0.00 175.52 174.66 1bnr n TYR 17 N -3.56 0.00 -4.03 3.16 4.02 -0.18 -4.93 117.16 111.65 1bnr n TYR 17 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.57 1bnr n TYR 17 Cb 0.14 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 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 0.09 -1.69 0.00 -0.72 8.25 0.22 -4.90 115.22 116.47 1bnr n HIS 18 Ca 0.19 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 1bnr n HIS 18 Cb 0.34 -3.54 0.00 0.00 1.12 0.00 0.00 29.99 27.91 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 -4.42 0.00 -1.42 -0.41 2.85 -1.23 -5.04 118.16 108.49 1bnr n LYS 19 Ca -0.20 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.66 1bnr n LYS 19 Cb 0.63 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.03 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 -0.48 -4.45 -5.58 4.77 -1.26 -4.67 117.00 105.34 1bnr n LEU 20 Ca 0.00 0.81 -0.33 0.00 -0.03 0.00 0.00 56.01 56.46 1bnr n LEU 20 Cb 0.00 -1.08 0.13 0.00 -2.33 0.00 0.00 43.42 40.14 1bnr n LEU 20 CO 0.00 -3.31 0.01 -2.65 -1.33 0.00 0.00 177.39 170.11 1bnr n PRO 21 N 0.56 -0.38 0.01 3.23 -0.02 -1.26 -4.80 135.00 132.33 1bnr n PRO 21 Ca 0.11 -0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.56 1bnr n PRO 21 Cb 0.43 -1.93 0.18 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.79 0.04 -1.39 2.55 8.00 -1.26 -1.44 116.55 121.26 1bnr n ASP 22 Ca 0.07 0.51 0.03 0.00 0.71 0.00 0.00 54.79 56.12 1bnr n ASP 22 Cb 0.54 -0.52 0.24 0.00 -0.02 0.00 0.00 41.12 41.35 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnr n ASN 23 N -1.55 3.89 -4.02 -2.24 0.23 -1.26 -4.66 115.26 105.65 1bnr n ASN 23 Ca 0.02 -2.60 -0.33 0.00 -0.53 0.00 0.00 54.58 51.14 1bnr n ASN 23 Cb 0.09 -0.62 -0.11 0.00 -2.08 0.00 0.00 39.78 37.06 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 -2.08 3.39 -0.25 -2.53 2.02 -0.52 -0.26 117.35 117.12 1bnr s TYR 24 Ca 0.34 -3.00 -0.11 0.00 -0.37 0.00 0.00 57.07 53.92 1bnr s TYR 24 Cb 0.26 -3.00 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 1bnr s TYR 24 CO 0.10 -0.75 0.20 0.96 -1.57 0.00 0.00 175.55 174.49 1bnr s ILE 25 N -0.48 5.32 0.99 2.71 -4.36 0.19 -4.44 121.20 121.12 1bnr s ILE 25 Ca 0.19 0.25 -0.19 0.00 -0.26 0.00 0.00 60.65 60.64 1bnr s ILE 25 Cb -0.19 -3.54 -0.00 0.00 1.25 0.00 0.00 42.46 39.98 1bnr s ILE 25 CO -0.05 0.30 -0.52 0.35 0.24 0.00 0.00 174.94 175.26 1bnr n THR 26 N 4.59 0.00 -0.08 8.37 -2.24 -1.18 -3.71 114.28 120.03 1bnr n THR 26 Ca -0.14 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1bnr n THR 26 Cb 0.52 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.80 0.47 -0.98 -0.78 1.57 -1.90 -2.55 116.57 110.61 1bnr h LYS 27 Ca -0.37 -0.18 0.13 0.00 -1.87 0.00 0.00 60.65 58.36 1bnr h LYS 27 Cb 1.12 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.32 1bnr h LYS 27 CO 0.24 0.69 0.62 0.77 -0.57 0.00 0.00 179.45 181.20 1bnr h SER 28 N 0.22 0.88 -0.87 0.86 0.02 -1.98 0.30 113.55 112.97 1bnr h SER 28 Ca 0.06 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1bnr h SER 28 Cb 0.51 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1bnr h SER 28 CO 0.02 0.46 0.58 -0.33 -1.14 0.00 0.00 176.83 176.42 1bnr h GLU 29 N 0.94 1.10 -0.47 3.45 5.08 -1.76 -0.66 114.58 122.25 1bnr h GLU 29 Ca 0.49 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1bnr h GLU 29 Cb 0.54 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1bnr h GLU 29 CO -0.26 0.73 -0.16 0.00 -1.00 0.00 0.00 179.01 178.32 1bnr h ALA 30 N 1.47 0.83 -0.53 3.43 0.00 -0.09 -2.27 119.26 122.10 1bnr h ALA 30 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bnr h ALA 30 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1bnr h ALA 30 CO -0.09 0.65 0.33 1.96 0.00 0.00 0.00 179.25 182.10 1bnr h GLN 31 N 0.80 0.71 -0.59 0.00 4.20 0.18 -0.11 115.11 120.30 1bnr h GLN 31 Ca 0.12 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1bnr h GLN 31 Cb 0.70 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1bnr h GLN 31 CO 0.05 0.49 0.39 0.00 -0.67 0.00 0.00 178.83 179.09 1bnr h ALA 32 N 1.64 1.79 0.00 3.87 0.00 -0.59 0.42 119.26 126.39 1bnr h ALA 32 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bnr h ALA 32 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1bnr h ALA 32 CO -0.04 0.13 -0.13 -0.07 0.00 0.00 0.00 179.25 179.14 1bnr h LEU 33 N 0.60 0.00 0.00 0.00 4.07 -0.99 -3.46 115.31 115.52 1bnr h LEU 33 Ca 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1bnr h LEU 33 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1bnr h LEU 33 CO -0.07 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.91 1bnr n GLY 34 N 1.19 1.36 3.62 0.83 0.00 0.14 -4.93 105.19 107.39 1bnr n GLY 34 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 3.26 -0.44 1.61 -0.00 -0.51 -4.72 118.94 116.14 1bnr s TRP 35 Ca 0.00 0.14 -0.22 0.00 -0.00 0.00 0.00 56.10 56.02 1bnr s TRP 35 Cb 0.00 -2.32 0.02 0.00 -0.00 0.00 0.00 33.47 31.17 1bnr s TRP 35 CO 0.00 -0.06 0.72 0.08 -0.00 0.00 0.00 176.95 177.69 1bnr s VAL 36 N 1.42 4.73 -0.30 5.86 1.01 -1.26 -4.00 120.40 127.87 1bnr s VAL 36 Ca 0.07 0.34 0.19 0.00 0.00 0.00 0.00 61.98 62.58 1bnr s VAL 36 Cb -0.15 -4.26 0.19 0.00 0.00 0.00 0.00 36.38 32.16 1bnr s VAL 36 CO 0.08 -0.64 1.59 0.00 0.00 0.00 0.00 175.10 176.13 1bnr n ALA 37 N 6.50 1.06 -0.00 5.51 0.00 -1.26 -0.07 120.51 132.25 1bnr n ALA 37 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 1bnr n ALA 37 Cb 0.48 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1bnr n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bnr h SER 38 N 0.00 -0.07 -0.00 0.00 0.87 -2.04 -3.32 113.55 108.99 1bnr h SER 38 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1bnr h SER 38 Cb 0.01 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1bnr h SER 38 CO 0.00 0.26 0.00 0.29 -0.53 0.00 0.00 176.83 176.85 1bnr n LYS 39 N -3.95 1.02 -3.26 2.24 5.02 -1.11 -4.95 118.16 113.19 1bnr n LYS 39 Ca -0.01 -0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 1bnr n LYS 39 Cb 0.03 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1bnr n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnr n GLY 40 N 0.98 -0.47 2.29 0.72 0.00 0.89 -4.86 105.19 104.73 1bnr n GLY 40 Ca 0.22 0.75 -0.23 0.00 0.00 0.00 0.00 46.02 46.76 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 0.35 4.43 -0.10 1.61 0.23 -1.24 -4.46 115.26 116.08 1bnr n ASN 41 Ca -0.03 -3.57 -0.09 0.00 -0.53 0.00 0.00 54.58 50.36 1bnr n ASN 41 Cb 0.54 -0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 37.81 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1bnr h LEU 42 N 2.41 0.42 -0.36 -4.53 5.85 -1.87 -0.80 115.31 116.44 1bnr h LEU 42 Ca 0.28 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1bnr h LEU 42 Cb 1.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1bnr h LEU 42 CO 0.74 0.43 0.00 0.00 -0.34 0.00 0.00 178.44 179.27 1bnr n ALA 43 N -2.25 1.14 -0.11 1.25 0.00 -1.26 0.49 120.51 119.76 1bnr n ALA 43 Ca -0.01 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1bnr n ALA 43 Cb 0.11 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.71 1.90 -0.08 0.00 2.03 -0.39 -4.20 116.55 114.10 1bnr n ASP 44 Ca 0.00 0.40 -0.23 0.00 0.52 0.00 0.00 54.79 55.49 1bnr n ASP 44 Cb 0.04 -0.89 -0.12 0.00 -0.72 0.00 0.00 41.12 39.44 1bnr n ASP 44 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1bnr n VAL 45 N -4.38 1.59 -3.71 5.18 0.24 -0.72 -4.64 118.33 111.90 1bnr n VAL 45 Ca -0.38 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.39 1bnr n VAL 45 Cb 0.72 -1.93 -0.10 0.00 -1.47 0.00 0.00 33.84 31.07 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 -3.42 3.70 -1.30 2.33 0.00 0.18 -4.99 120.51 117.01 1bnr n ALA 46 Ca -0.36 -4.63 -0.34 0.00 0.00 0.00 0.00 53.44 48.12 1bnr n ALA 46 Cb 0.81 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.83 2.10 -0.81 0.00 0.04 -0.78 -3.85 135.00 129.87 1bnr s PRO 47 Ca 0.30 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1bnr s PRO 47 Cb 0.02 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1bnr s PRO 47 CO -0.11 -1.84 0.61 0.41 0.04 0.00 0.00 177.00 176.11 1bnr n GLY 48 N 0.18 -1.28 3.13 0.56 0.00 -1.26 -4.97 105.19 101.55 1bnr n GLY 48 Ca 0.13 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.67 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 -4.66 0.70 -0.08 1.61 -0.14 -1.25 -5.07 119.74 110.84 1bnr s LYS 49 Ca 0.01 -1.16 0.03 0.00 -1.36 0.00 0.00 55.97 53.49 1bnr s LYS 49 Cb -0.00 0.25 0.01 0.00 -1.68 0.00 0.00 37.83 36.40 1bnr s LYS 49 CO 0.88 -0.17 -0.18 -1.12 -0.76 0.00 0.00 175.35 174.00 1bnr s SER 50 N -2.91 2.46 -0.53 2.83 0.01 0.64 -4.97 113.70 111.23 1bnr s SER 50 Ca 0.07 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 1bnr s SER 50 Cb 0.07 -1.10 0.06 0.00 0.21 0.00 0.00 66.02 65.26 1bnr s SER 50 CO -0.10 0.11 0.69 -0.63 0.41 0.00 0.00 173.24 173.72 1bnr s ILE 51 N 0.46 4.79 0.25 1.44 -1.09 -1.26 0.54 121.20 126.33 1bnr s ILE 51 Ca -0.16 -0.46 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 1bnr s ILE 51 Cb -0.17 -4.37 0.02 0.00 -1.58 0.00 0.00 42.46 36.37 1bnr s ILE 51 CO 0.06 -0.91 0.65 -0.83 -1.23 0.00 0.00 174.94 172.68 1bnr s GLY 52 N 2.87 -0.07 0.00 6.18 0.00 -1.24 0.39 107.32 115.44 1bnr s GLY 52 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1bnr s GLY 52 CO 0.12 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1bnr n GLY 53 N -0.43 2.02 3.81 0.20 0.00 -0.51 -3.08 105.19 107.20 1bnr n GLY 53 Ca -0.06 0.00 -0.34 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 -1.53 7.05 1.07 1.61 1.01 -1.23 -4.81 116.67 119.83 1bnr s ASP 54 Ca 0.00 1.73 -0.17 0.00 0.71 0.00 0.00 52.55 54.82 1bnr s ASP 54 Cb 0.00 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.45 1bnr s ASP 54 CO 0.00 -0.28 0.05 -0.38 0.21 0.00 0.00 175.17 174.76 1bnr n ILE 55 N -0.30 0.00 -4.20 0.77 5.41 -1.26 -1.53 119.36 118.24 1bnr n ILE 55 Ca 0.06 -0.26 -0.32 0.00 1.00 0.00 0.00 62.75 63.22 1bnr n ILE 55 Cb 0.53 -0.58 -0.08 0.00 -0.71 0.00 0.00 39.64 38.80 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 -2.27 3.13 0.00 1.39 5.36 0.05 -4.14 117.98 121.50 1bnr s PHE 56 Ca 0.55 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.62 1bnr s PHE 56 Cb -0.14 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1bnr s PHE 56 CO 0.67 0.49 0.09 -1.13 -1.46 0.00 0.00 175.22 173.87 1bnr n SER 57 N 1.18 0.00 -0.14 6.13 3.41 -1.26 -4.71 113.62 118.24 1bnr n SER 57 Ca -0.13 0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 58.55 1bnr n SER 57 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.15 -3.09 0.00 4.04 2.85 -1.26 -4.97 115.26 112.68 1bnr n ASN 58 Ca 0.00 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1bnr n ASN 58 Cb 0.00 -0.86 0.00 0.00 1.24 0.00 0.00 39.78 40.16 1bnr n ASN 58 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1bnr n ARG 59 N -2.84 0.00 -0.09 1.20 1.74 -1.26 -3.04 116.66 112.38 1bnr n ARG 59 Ca -0.02 0.38 -0.01 0.00 -0.77 0.00 0.00 57.85 57.44 1bnr n ARG 59 Cb 0.09 -1.29 0.26 0.00 -1.02 0.00 0.00 32.46 30.50 1bnr n ARG 59 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1bnr h GLU 60 N 0.00 0.72 0.00 5.56 5.08 -2.03 -3.47 114.58 120.44 1bnr h GLU 60 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1bnr h GLU 60 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1bnr h GLU 60 CO 0.00 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 1bnr n GLY 61 N -1.03 0.75 0.08 -3.84 0.00 -1.17 -5.03 105.19 94.96 1bnr n GLY 61 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 0.88 -4.09 1.61 4.76 -1.26 -4.95 118.16 115.11 1bnr n LYS 62 Ca 0.00 -0.18 -0.24 0.00 -2.87 0.00 0.00 58.31 55.02 1bnr n LYS 62 Cb 0.00 -1.39 -0.05 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.78 3.84 -0.97 -0.35 1.43 -1.26 -4.81 118.68 113.77 1bnr s LEU 63 Ca 0.09 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.76 1bnr s LEU 63 Cb 0.15 -2.42 -0.17 0.00 0.03 0.00 0.00 46.19 43.78 1bnr s LEU 63 CO 0.73 0.02 2.20 -2.16 0.23 0.00 0.00 176.35 177.36 1bnr s PRO 64 N -3.45 1.52 0.44 1.29 0.05 -1.26 -4.91 135.00 128.68 1bnr s PRO 64 Ca 0.32 -0.15 0.01 0.00 0.05 0.00 0.00 61.00 61.23 1bnr s PRO 64 Cb -0.09 -4.94 -0.00 0.00 0.05 0.00 0.00 34.50 29.52 1bnr s PRO 64 CO 0.24 -4.87 0.66 0.20 0.05 0.00 0.00 177.00 173.28 1bnr s GLY 65 N 9.19 1.56 0.00 0.56 0.00 -1.26 -5.08 107.32 112.29 1bnr s GLY 65 Ca 0.84 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1bnr s GLY 65 CO 0.13 -0.92 0.00 0.28 0.00 0.00 0.00 173.10 172.59 1bnr n LYS 66 N -2.04 0.30 -1.61 2.90 5.02 -1.26 -5.00 118.16 116.47 1bnr n LYS 66 Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 1bnr n LYS 66 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.56 1bnr n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bnr s SER 67 N 1.00 4.76 -0.72 4.39 0.15 -1.26 -3.43 113.70 118.59 1bnr s SER 67 Ca 0.00 1.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.80 1bnr s SER 67 Cb 0.00 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1bnr s SER 67 CO 0.00 -2.61 0.64 0.61 1.20 0.00 0.00 173.24 173.08 1bnr n GLY 68 N 5.91 -1.08 3.52 9.45 0.00 -1.26 -4.97 105.19 116.76 1bnr n GLY 68 Ca 0.34 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.93 1.94 0.44 1.61 3.52 -1.22 -5.14 118.95 116.17 1bnr s ARG 69 Ca 0.07 -1.10 0.06 0.00 -0.13 0.00 0.00 55.73 54.64 1bnr s ARG 69 Cb -0.01 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1bnr s ARG 69 CO 0.85 0.50 0.17 0.99 -0.81 0.00 0.00 175.30 177.00 1bnr s THR 70 N -1.15 2.09 0.05 4.11 2.01 -1.26 -4.81 115.64 116.68 1bnr s THR 70 Ca 0.19 -1.73 -0.02 0.00 0.31 0.00 0.00 61.69 60.44 1bnr s THR 70 Cb -0.11 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1bnr s THR 70 CO 0.11 0.00 0.01 0.26 -0.69 0.00 0.00 174.62 174.31 1bnr s TRP 71 N -2.66 0.40 -0.11 4.92 0.52 -1.26 -4.51 118.94 116.24 1bnr s TRP 71 Ca 0.36 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.66 1bnr s TRP 71 Cb 0.03 -0.29 -0.00 0.00 -1.15 0.00 0.00 33.47 32.06 1bnr s TRP 71 CO 0.20 -0.36 -0.22 1.03 0.02 0.00 0.00 176.95 177.62 1bnr s ARG 72 N -3.31 3.10 0.10 4.98 0.52 -0.38 -0.77 118.95 123.18 1bnr s ARG 72 Ca 0.01 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1bnr s ARG 72 Cb 0.03 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1bnr s ARG 72 CO -0.08 0.16 0.07 -1.83 0.02 0.00 0.00 175.30 173.64 1bnr s GLU 73 N 0.41 2.81 0.03 3.54 -1.05 -0.58 -0.46 118.70 123.39 1bnr s GLU 73 Ca -0.16 -0.76 0.01 0.00 -0.15 0.00 0.00 54.97 53.90 1bnr s GLU 73 Cb -0.17 -2.67 -0.02 0.00 -0.44 0.00 0.00 34.13 30.83 1bnr s GLU 73 CO 0.07 0.54 -0.05 0.00 0.95 0.00 0.00 175.26 176.78 1bnr s ALA 74 N -1.45 0.31 0.21 -0.84 0.00 -0.09 -1.43 121.76 118.47 1bnr s ALA 74 Ca 0.29 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1bnr s ALA 74 Cb -0.12 0.13 -0.08 0.00 0.00 0.00 0.00 23.12 23.05 1bnr s ALA 74 CO 0.21 -0.13 1.13 -0.51 0.00 0.00 0.00 175.76 176.46 1bnr s ASP 75 N -1.64 7.22 -0.15 0.00 1.11 0.16 -1.47 116.67 121.90 1bnr s ASP 75 Ca -0.12 2.18 0.02 0.00 0.18 0.00 0.00 52.55 54.82 1bnr s ASP 75 Cb -0.08 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.31 1bnr s ASP 75 CO -0.01 -0.24 -0.21 -0.63 1.18 0.00 0.00 175.17 175.26 1bnr s ILE 76 N -0.48 2.03 0.15 0.77 -1.09 -0.21 -4.79 121.20 117.58 1bnr s ILE 76 Ca 0.49 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1bnr s ILE 76 Cb -0.31 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1bnr s ILE 76 CO 0.37 0.54 0.00 0.59 -1.23 0.00 0.00 174.94 175.21 1bnr n ASN 77 N 4.27 -5.10 -3.63 3.58 3.02 0.12 -4.27 115.26 113.24 1bnr n ASN 77 Ca -0.20 0.56 -0.08 0.00 -0.03 0.00 0.00 54.58 54.83 1bnr n ASN 77 Cb 0.51 -1.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.00 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 -1.32 -0.37 0.00 3.10 6.14 -1.26 -4.72 117.35 118.91 1bnr s TYR 78 Ca 0.00 0.87 0.00 0.00 0.64 0.00 0.00 57.07 58.58 1bnr s TYR 78 Cb 0.00 0.40 0.00 0.00 0.42 0.00 0.00 41.96 42.78 1bnr s TYR 78 CO 0.00 -0.20 0.00 0.25 0.64 0.00 0.00 175.55 176.24 1bnr n THR 79 N 1.87 0.00 -3.96 4.34 -2.24 -1.26 -5.01 114.28 108.02 1bnr n THR 79 Ca -0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1bnr n THR 79 Cb 0.56 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 1bnr n THR 79 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bnr s SER 80 N 0.72 0.22 0.00 3.42 0.01 -1.26 -4.75 113.70 112.06 1bnr s SER 80 Ca 0.00 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1bnr s SER 80 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1bnr s SER 80 CO 0.00 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1bnr n GLY 81 N -0.04 -2.87 3.12 3.44 0.00 -1.26 -4.96 105.19 102.62 1bnr n GLY 81 Ca -0.13 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.15 -3.09 -0.17 1.61 3.01 -1.26 -4.80 117.46 112.61 1bnr n PHE 82 Ca 0.00 -0.42 -0.15 0.00 1.01 0.00 0.00 57.45 57.88 1bnr n PHE 82 Cb 0.00 -1.37 0.15 0.00 -0.01 0.00 0.00 39.48 38.25 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 -3.89 -2.89 -4.04 -1.08 1.74 -1.26 -4.97 116.66 100.28 1bnr n ARG 83 Ca 0.10 -0.73 -0.28 0.00 -0.77 0.00 0.00 57.85 56.17 1bnr n ARG 83 Cb 0.47 -1.04 -0.01 0.00 -1.02 0.00 0.00 32.46 30.86 1bnr n ARG 83 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bnr s ASN 84 N -2.40 4.54 0.00 0.55 4.22 -1.26 -5.04 114.94 115.55 1bnr s ASN 84 Ca 0.34 -1.37 0.10 0.00 -2.14 0.00 0.00 52.86 49.79 1bnr s ASN 84 Cb -0.06 0.58 0.27 0.00 1.28 0.00 0.00 41.25 43.32 1bnr s ASN 84 CO 0.28 -1.14 1.19 -1.20 -2.04 0.00 0.00 177.10 174.19 1bnr n SER 85 N -1.74 2.75 -4.48 3.54 7.64 -1.26 -4.93 113.62 115.14 1bnr n SER 85 Ca -0.05 -1.92 -0.34 0.00 1.01 0.00 0.00 58.87 57.57 1bnr n SER 85 Cb 0.65 -0.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.99 4.80 0.21 6.43 1.01 -1.26 0.08 116.67 126.96 1bnr s ASP 86 Ca 0.21 -0.15 -0.04 0.00 0.71 0.00 0.00 52.55 53.28 1bnr s ASP 86 Cb 0.11 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 42.22 1bnr s ASP 86 CO 0.15 0.14 0.22 -0.13 0.21 0.00 0.00 175.17 175.76 1bnr s ARG 87 N 0.53 1.29 -0.04 8.23 1.81 -0.56 -1.04 118.95 129.16 1bnr s ARG 87 Ca -0.03 -1.53 0.01 0.00 -1.72 0.00 0.00 55.73 52.46 1bnr s ARG 87 Cb -0.14 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 34.70 1bnr s ARG 87 CO 0.03 -0.45 -0.05 -1.50 -0.68 0.00 0.00 175.30 172.64 1bnr s ILE 88 N -4.12 0.56 -0.44 1.52 2.07 -0.54 -0.91 121.20 119.34 1bnr s ILE 88 Ca 0.35 -0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.34 1bnr s ILE 88 Cb 0.05 -0.58 0.08 0.00 0.13 0.00 0.00 42.46 42.14 1bnr s ILE 88 CO 0.11 0.23 0.31 -0.76 -1.91 0.00 0.00 174.94 172.92 1bnr s LEU 89 N 0.90 5.36 -0.06 8.50 2.01 0.15 -0.92 118.68 134.63 1bnr s LEU 89 Ca -0.11 -1.52 -0.11 0.00 0.01 0.00 0.00 54.13 52.40 1bnr s LEU 89 Cb -0.14 -2.04 -0.05 0.00 0.01 0.00 0.00 46.19 43.96 1bnr s LEU 89 CO 0.00 -0.59 0.29 -0.72 1.01 0.00 0.00 176.35 176.34 1bnr s TYR 90 N 1.48 3.65 0.44 0.29 1.13 0.39 -1.16 117.35 123.56 1bnr s TYR 90 Ca 0.04 0.77 0.08 0.00 -1.41 0.00 0.00 57.07 56.54 1bnr s TYR 90 Cb -0.24 -2.15 0.01 0.00 -1.10 0.00 0.00 41.96 38.48 1bnr s TYR 90 CO 0.03 0.65 0.57 0.45 -2.51 0.00 0.00 175.55 174.74 1bnr s SER 91 N -0.91 5.54 0.57 -0.18 0.15 0.02 -1.25 113.70 117.64 1bnr s SER 91 Ca 0.19 -0.50 0.35 0.00 0.70 0.00 0.00 55.95 56.69 1bnr s SER 91 Cb -0.14 -0.55 1.71 0.00 -1.71 0.00 0.00 66.02 65.32 1bnr s SER 91 CO 0.09 -0.81 2.13 0.77 1.20 0.00 0.00 173.24 176.62 1bnr h SER 92 N 0.63 0.00 -0.30 5.45 4.64 -1.92 -0.23 113.55 121.83 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 0.46 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 1bnr n ASP 93 N -3.30 3.10 -1.41 4.97 5.75 -1.26 -4.84 116.55 119.56 1bnr n ASP 93 Ca -0.01 -2.37 -0.12 0.00 -0.01 0.00 0.00 54.79 52.27 1bnr n ASP 93 Cb 0.21 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 39.77 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 0.36 -0.58 -2.75 2.11 5.03 -0.10 -4.94 117.44 116.57 1bnr n TRP 94 Ca 0.14 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.24 1bnr n TRP 94 Cb 0.64 -2.76 -0.03 0.00 -1.03 0.00 0.00 31.31 28.13 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 -3.56 4.04 -0.28 -0.99 1.43 -1.23 -4.76 118.68 113.33 1bnr s LEU 95 Ca 0.00 -1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 51.86 1bnr s LEU 95 Cb 0.00 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1bnr s LEU 95 CO 0.00 -1.51 0.62 -0.63 0.23 0.00 0.00 176.35 175.06 1bnr s ILE 96 N 4.44 4.97 0.25 -0.59 1.01 -1.22 -0.80 121.20 129.26 1bnr s ILE 96 Ca 0.30 0.97 0.11 0.00 0.00 0.00 0.00 60.65 62.02 1bnr s ILE 96 Cb -0.11 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1bnr s ILE 96 CO 0.07 -0.05 -0.14 -0.31 0.00 0.00 0.00 174.94 174.50 1bnr s TYR 97 N 2.54 2.45 0.13 3.97 1.51 -0.31 -1.59 117.35 126.05 1bnr s TYR 97 Ca 0.25 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 56.10 1bnr s TYR 97 Cb -0.15 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1bnr s TYR 97 CO 0.10 0.63 -0.18 -1.59 -1.11 0.00 0.00 175.55 173.41 1bnr s LYS 98 N -3.34 1.15 -0.07 -0.62 -2.85 0.10 -0.67 119.74 113.45 1bnr s LYS 98 Ca 0.28 -1.28 -0.03 0.00 -1.00 0.00 0.00 55.97 53.95 1bnr s LYS 98 Cb -0.06 -1.23 0.04 0.00 -2.06 0.00 0.00 37.83 34.52 1bnr s LYS 98 CO 0.16 0.26 0.08 -0.08 0.10 0.00 0.00 175.35 175.87 1bnr s THR 99 N -1.78 -0.14 -0.34 3.79 -1.32 -0.09 -1.35 115.64 114.42 1bnr s THR 99 Ca 0.11 0.32 0.09 0.00 -1.21 0.00 0.00 61.69 60.99 1bnr s THR 99 Cb -0.07 -0.25 0.71 0.00 -1.51 0.00 0.00 72.50 71.38 1bnr s THR 99 CO 0.05 0.10 1.79 0.35 -2.21 0.00 0.00 174.62 174.70 1bnr n THR 100 N 5.30 2.94 -1.89 5.08 -2.24 -1.26 -1.49 114.28 120.72 1bnr n THR 100 Ca -0.04 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1bnr n THR 100 Cb 0.50 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.44 0.00 -1.61 3.42 5.68 -1.11 -4.79 116.55 117.70 1bnr n ASP 101 Ca 0.43 -1.76 -0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1bnr n ASP 101 Cb 1.40 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 41.23 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 0.00 -0.34 -2.08 2.11 -0.00 0.11 -3.97 115.22 111.05 1bnr n HIS 102 Ca 0.00 0.15 -0.02 0.00 -0.00 0.00 0.00 57.72 57.85 1bnr n HIS 102 Cb 0.65 -1.73 -0.00 0.00 -0.00 0.00 0.00 29.99 28.91 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 -0.16 -1.63 0.00 1.57 4.01 -1.26 -4.75 117.16 114.93 1bnr n TYR 103 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bnr n TYR 103 Cb 0.02 -1.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.82 1bnr n TYR 103 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bnr n GLN 104 N -2.13 0.00 -3.37 -0.72 -0.06 -1.25 -4.97 117.38 104.87 1bnr n GLN 104 Ca -0.02 0.24 -0.21 0.00 -2.00 0.00 0.00 57.00 55.01 1bnr n GLN 104 Cb 0.38 -0.71 -0.00 0.00 -4.06 0.00 0.00 30.24 25.85 1bnr n GLN 104 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1bnr s THR 105 N -0.88 4.25 -0.11 1.69 -1.32 -1.26 -5.02 115.64 112.98 1bnr s THR 105 Ca 0.00 -0.81 -0.04 0.00 -1.21 0.00 0.00 61.69 59.62 1bnr s THR 105 Cb 0.00 -3.51 0.06 0.00 -1.51 0.00 0.00 72.50 67.54 1bnr s THR 105 CO 0.00 -0.25 0.22 -0.36 -2.21 0.00 0.00 174.62 172.02 1bnr s PHE 106 N -2.28 -0.32 -0.08 9.09 0.08 -1.24 -4.04 117.98 119.19 1bnr s PHE 106 Ca 0.44 0.81 0.04 0.00 0.12 0.00 0.00 56.93 58.35 1bnr s PHE 106 Cb -0.10 -0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.23 1bnr s PHE 106 CO 0.33 -0.31 -0.21 0.99 -0.10 0.00 0.00 175.22 175.92 1bnr s THR 107 N 2.24 2.35 0.05 0.64 2.01 -0.45 -4.81 115.64 117.66 1bnr s THR 107 Ca 0.01 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1bnr s THR 107 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1bnr s THR 107 CO -0.07 0.56 0.99 -0.75 -0.69 0.00 0.00 174.62 174.65 1bnr s LYS 108 N -0.00 4.61 -0.00 4.92 2.20 -1.26 -0.72 119.74 129.49 1bnr s LYS 108 Ca -0.07 1.46 -0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1bnr s LYS 108 Cb -0.15 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1bnr s LYS 108 CO 0.05 0.04 -0.00 0.44 -0.36 0.00 0.00 175.35 175.52 1bnr n ILE 109 N 3.44 0.02 -1.03 5.43 -5.35 -0.62 -4.98 119.36 116.26 1bnr n ILE 109 Ca 0.05 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1bnr n ILE 109 Cb 0.50 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33