#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 4.09 0.47 0.00 -0.21 -1.26 -5.06 119.66 117.69 1bnr s GLN 2 Ca 0.00 0.46 -0.00 0.00 0.02 0.00 0.00 55.36 55.84 1bnr s GLN 2 Cb 0.00 -3.65 -0.00 0.00 1.00 0.00 0.00 33.01 30.36 1bnr s GLN 2 CO 0.00 -0.39 0.70 0.14 -2.12 0.00 0.00 175.29 173.61 1bnr s VAL 3 N 2.43 3.89 -1.03 1.09 -7.23 -1.26 -5.01 120.40 113.29 1bnr s VAL 3 Ca 0.24 -0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 59.79 1bnr s VAL 3 Cb -0.16 -3.45 0.16 0.00 0.56 0.00 0.00 36.38 33.50 1bnr s VAL 3 CO 0.09 -0.33 1.20 -0.63 -0.31 0.00 0.00 175.10 175.12 1bnr s ILE 4 N -2.60 5.00 -0.40 -0.62 1.01 -1.26 -4.80 121.20 117.52 1bnr s ILE 4 Ca 0.49 -2.15 0.11 0.00 0.00 0.00 0.00 60.65 59.10 1bnr s ILE 4 Cb -0.10 -4.79 0.36 0.00 0.01 0.00 0.00 42.46 37.94 1bnr s ILE 4 CO 0.39 -1.48 0.78 -0.46 0.00 0.00 0.00 174.94 174.16 1bnr n ASN 5 N 5.75 1.44 -0.74 3.58 6.94 -1.26 -4.51 115.26 126.46 1bnr n ASN 5 Ca 0.28 -3.10 0.00 0.00 -0.02 0.00 0.00 54.58 51.74 1bnr n ASN 5 Cb 0.46 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 0.17 0.00 0.03 5.53 -2.24 -1.26 -2.15 114.28 114.36 1bnr n THR 6 Ca 0.25 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.00 1bnr n THR 6 Cb 0.63 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.74 -0.16 -0.05 4.78 0.04 -1.94 -2.24 116.94 118.10 1bnr h PHE 7 Ca 0.00 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1bnr h PHE 7 Cb 0.00 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1bnr h PHE 7 CO 0.00 -0.10 -0.53 -0.44 -0.60 0.00 0.00 178.31 176.64 1bnr h ASP 8 N -1.05 0.17 0.27 2.17 5.19 -1.97 -1.07 116.42 120.12 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 0.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1bnr h ASP 8 CO 0.03 0.67 -0.13 1.23 -3.12 0.00 0.00 179.24 177.92 1bnr h GLY 9 N 1.46 -0.38 1.01 2.75 0.00 -1.96 -0.19 103.07 105.77 1bnr h GLY 9 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1bnr h GLY 9 CO 0.08 -0.14 0.28 -2.08 0.00 0.00 0.00 176.54 174.68 1bnr h VAL 10 N -0.76 1.24 -0.62 4.60 2.07 -1.43 -1.24 116.25 120.12 1bnr h VAL 10 Ca -0.04 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1bnr h VAL 10 Cb 0.50 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1bnr h VAL 10 CO 0.06 0.30 0.41 0.00 0.02 0.00 0.00 177.57 178.35 1bnr h ALA 11 N 1.12 1.66 0.49 1.67 0.00 -1.17 0.14 119.26 123.17 1bnr h ALA 11 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1bnr h ALA 11 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bnr h ALA 11 CO -0.02 0.28 -0.24 -0.44 0.00 0.00 0.00 179.25 178.83 1bnr h ASP 12 N 0.74 -0.56 0.08 0.00 5.19 0.08 -1.48 116.42 120.47 1bnr h ASP 12 Ca 0.25 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1bnr h ASP 12 Cb 0.07 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 1bnr h ASP 12 CO -0.07 -0.23 -0.00 0.22 -3.12 0.00 0.00 179.24 176.04 1bnr h TYR 13 N -0.90 0.00 0.24 4.55 5.03 -0.84 0.24 116.97 125.28 1bnr h TYR 13 Ca -0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.23 1bnr h TYR 13 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1bnr h TYR 13 CO 0.00 0.00 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.66 1bnr h LEU 14 N 0.00 -0.27 0.00 2.82 3.38 -0.19 -0.76 115.31 120.30 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 0.04 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1bnr h LEU 14 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1bnr n GLN 15 N -4.25 0.06 -0.03 1.13 10.64 -0.61 0.53 117.38 124.86 1bnr n GLN 15 Ca -0.04 0.19 -0.02 0.00 -1.83 0.00 0.00 57.00 55.30 1bnr n GLN 15 Cb 0.13 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.00 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 -0.00 -0.39 2.02 -0.53 -3.40 112.91 110.61 1bnr h THR 16 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1bnr h THR 16 Cb 0.26 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1bnr h THR 16 CO 0.00 0.00 -0.29 -1.22 0.37 0.00 0.00 175.52 174.38 1bnr n TYR 17 N -3.18 0.00 -3.45 3.16 4.02 -0.30 -4.95 117.16 112.47 1bnr n TYR 17 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 1bnr n TYR 17 Cb 0.10 -0.18 0.06 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.96 -2.21 0.00 -0.72 8.25 0.19 -4.96 115.22 114.81 1bnr n HIS 18 Ca 0.10 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1bnr n HIS 18 Cb 0.33 -4.31 0.00 0.00 1.12 0.00 0.00 29.99 27.13 1bnr n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnr n LYS 19 N -3.80 0.00 -1.39 -0.41 2.85 -1.22 -5.04 118.16 109.14 1bnr n LYS 19 Ca -0.17 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.68 1bnr n LYS 19 Cb 0.64 0.00 0.01 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 -1.04 -4.43 -5.58 4.77 -1.26 -4.69 117.00 104.78 1bnr n LEU 20 Ca 0.00 0.81 -0.32 0.00 -0.03 0.00 0.00 56.01 56.47 1bnr n LEU 20 Cb 0.00 -1.03 0.15 0.00 -2.33 0.00 0.00 43.42 40.21 1bnr n LEU 20 CO 0.00 -3.50 -0.02 -2.65 -1.33 0.00 0.00 177.39 169.89 1bnr n PRO 21 N 0.76 -0.79 0.00 3.23 -0.02 -1.26 -4.82 135.00 132.10 1bnr n PRO 21 Ca 0.11 -0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.46 1bnr n PRO 21 Cb 0.42 -1.93 0.32 0.00 -0.02 0.00 0.00 33.50 32.30 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 -2.15 0.00 -0.78 2.55 9.92 -1.26 -1.61 116.55 123.22 1bnr n ASP 22 Ca 0.06 0.23 0.10 0.00 -0.53 0.00 0.00 54.79 54.65 1bnr n ASP 22 Cb 0.55 -0.36 0.28 0.00 -0.64 0.00 0.00 41.12 40.95 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1bnr n ASN 23 N -1.36 2.30 -4.32 -2.24 0.23 -1.26 -4.62 115.26 103.99 1bnr n ASN 23 Ca 0.05 -1.87 -0.45 0.00 -0.53 0.00 0.00 54.58 51.78 1bnr n ASN 23 Cb 0.12 -0.21 -0.01 0.00 -2.08 0.00 0.00 39.78 37.61 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 -1.59 4.17 -0.16 -2.53 2.02 -0.63 0.37 117.35 118.99 1bnr s TYR 24 Ca 0.33 -2.60 -0.17 0.00 -0.37 0.00 0.00 57.07 54.26 1bnr s TYR 24 Cb 0.18 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 1bnr s TYR 24 CO 0.25 -0.95 0.46 0.96 -1.57 0.00 0.00 175.55 174.70 1bnr s ILE 25 N -1.03 5.18 0.97 2.71 -4.36 0.24 -4.31 121.20 120.60 1bnr s ILE 25 Ca 0.28 0.87 -0.14 0.00 -0.26 0.00 0.00 60.65 61.40 1bnr s ILE 25 Cb -0.10 -3.79 0.10 0.00 1.25 0.00 0.00 42.46 39.92 1bnr s ILE 25 CO -0.08 0.27 0.03 0.35 0.24 0.00 0.00 174.94 175.75 1bnr n THR 26 N 4.05 0.00 -0.04 8.37 -2.24 -1.21 -3.64 114.28 119.57 1bnr n THR 26 Ca -0.07 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1bnr n THR 26 Cb 0.51 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.33 0.29 -0.86 -0.78 6.56 -1.90 -2.86 116.57 114.68 1bnr h LYS 27 Ca -0.28 -0.17 0.17 0.00 -1.06 0.00 0.00 60.65 59.30 1bnr h LYS 27 Cb 0.85 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.46 1bnr h LYS 27 CO 0.18 0.75 0.57 0.77 -2.06 0.00 0.00 179.45 179.65 1bnr h SER 28 N -0.15 0.51 -0.89 0.86 0.02 -1.97 0.31 113.55 112.24 1bnr h SER 28 Ca 0.01 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1bnr h SER 28 Cb 0.72 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1bnr h SER 28 CO 0.04 0.24 0.58 -0.33 -1.14 0.00 0.00 176.83 176.22 1bnr h GLU 29 N 0.53 1.13 -0.31 3.45 5.08 -1.81 -0.22 114.58 122.44 1bnr h GLU 29 Ca 0.44 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1bnr h GLU 29 Cb 0.91 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1bnr h GLU 29 CO -0.18 0.75 -0.29 0.00 -1.00 0.00 0.00 179.01 178.29 1bnr h ALA 30 N 1.35 0.93 -0.25 3.43 0.00 -0.31 -2.14 119.26 122.26 1bnr h ALA 30 Ca 0.34 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bnr h ALA 30 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1bnr h ALA 30 CO -0.09 0.62 0.10 1.96 0.00 0.00 0.00 179.25 181.84 1bnr h GLN 31 N 0.55 0.34 -0.44 0.00 4.20 0.15 -0.59 115.11 119.31 1bnr h GLN 31 Ca 0.07 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1bnr h GLN 31 Cb 0.77 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1bnr h GLN 31 CO 0.06 0.28 0.29 0.00 -0.67 0.00 0.00 178.83 178.80 1bnr h ALA 32 N 1.77 1.73 0.00 3.87 0.00 -0.40 0.06 119.26 126.29 1bnr h ALA 32 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bnr h ALA 32 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bnr h ALA 32 CO -0.01 0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 179.30 1bnr h LEU 33 N 0.56 0.00 0.00 0.00 4.07 -1.13 -3.46 115.31 115.35 1bnr h LEU 33 Ca 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1bnr h LEU 33 Cb -0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1bnr h LEU 33 CO -0.04 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.94 1bnr n GLY 34 N 1.26 1.00 3.44 0.83 0.00 0.01 -5.08 105.19 106.64 1bnr n GLY 34 Ca 0.05 0.00 -0.38 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 -1.93 3.15 -0.43 1.61 -0.00 -0.77 -4.92 118.94 115.64 1bnr s TRP 35 Ca 0.00 -0.52 -0.22 0.00 -0.00 0.00 0.00 56.10 55.36 1bnr s TRP 35 Cb 0.00 -2.31 0.02 0.00 -0.00 0.00 0.00 33.47 31.18 1bnr s TRP 35 CO 0.00 -0.42 0.71 0.08 -0.00 0.00 0.00 176.95 177.33 1bnr s VAL 36 N 1.61 4.75 0.19 5.86 1.01 -1.26 -4.00 120.40 128.56 1bnr s VAL 36 Ca 0.05 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 1bnr s VAL 36 Cb -0.16 -4.24 0.18 0.00 0.00 0.00 0.00 36.38 32.15 1bnr s VAL 36 CO 0.05 -0.61 1.64 0.00 0.00 0.00 0.00 175.10 176.18 1bnr h ALA 37 N 8.85 0.32 0.44 5.51 0.00 -1.96 -1.64 119.26 130.78 1bnr h ALA 37 Ca -0.25 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bnr h ALA 37 Cb 1.09 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1bnr h ALA 37 CO 0.92 -0.46 -0.45 1.03 0.00 0.00 0.00 179.25 180.29 1bnr h SER 38 N -0.02 -1.23 -0.95 0.00 0.87 -2.05 -2.01 113.55 108.16 1bnr h SER 38 Ca 0.26 0.10 0.29 0.00 -1.23 0.00 0.00 61.79 61.21 1bnr h SER 38 Cb 0.42 0.41 -0.16 0.00 -0.44 0.00 0.00 62.40 62.62 1bnr h SER 38 CO -0.57 -0.59 0.28 0.11 -0.53 0.00 0.00 176.83 175.54 1bnr h LYS 39 N -0.89 0.12 -0.82 2.24 1.57 -1.83 -3.45 116.57 113.51 1bnr h LYS 39 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bnr h LYS 39 Cb 0.77 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1bnr h LYS 39 CO -0.06 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1bnr n GLY 40 N -1.38 0.86 2.35 3.86 0.00 -0.67 -4.96 105.19 105.25 1bnr n GLY 40 Ca 0.27 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 1.58 5.80 0.31 1.61 6.94 -1.26 -3.73 115.26 126.52 1bnr n ASN 41 Ca 0.00 -3.76 -0.13 0.00 -0.02 0.00 0.00 54.58 50.67 1bnr n ASN 41 Cb 0.50 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 37.25 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 2.38 -0.77 -0.92 -4.53 5.85 -1.87 -1.68 115.31 113.78 1bnr h LEU 42 Ca 0.43 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.18 1bnr h LEU 42 Cb 0.99 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1bnr h LEU 42 CO 1.05 -0.50 0.23 0.00 -0.34 0.00 0.00 178.44 178.87 1bnr n ALA 43 N -2.47 0.71 0.10 1.25 0.00 -1.26 -0.25 120.51 118.59 1bnr n ALA 43 Ca -0.10 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1bnr n ALA 43 Cb 0.33 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 1bnr n ALA 43 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1bnr h ASP 44 N 0.00 0.54 -0.01 0.00 3.58 -1.67 -3.11 116.42 115.74 1bnr h ASP 44 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1bnr h ASP 44 Cb 0.45 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1bnr h ASP 44 CO 0.00 1.40 -0.02 1.33 -2.88 0.00 0.00 179.24 179.08 1bnr n VAL 45 N -3.62 0.00 -2.94 2.25 0.24 -0.03 -4.70 118.33 109.53 1bnr n VAL 45 Ca -0.10 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 1bnr n VAL 45 Cb 1.00 1.23 0.03 0.00 -1.47 0.00 0.00 33.84 34.63 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 0.59 0.45 -1.48 2.33 0.00 0.65 -4.97 120.51 118.08 1bnr n ALA 46 Ca 0.07 -2.33 -0.36 0.00 0.00 0.00 0.00 53.44 50.82 1bnr n ALA 46 Cb 0.28 -1.06 0.09 0.00 0.00 0.00 0.00 19.45 18.76 1bnr n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bnr n PRO 47 N 0.46 0.74 -3.67 0.00 -0.02 -1.18 -3.28 135.00 128.05 1bnr n PRO 47 Ca 0.15 0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.69 1bnr n PRO 47 Cb 0.67 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1bnr n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnr n GLY 48 N 0.81 -0.68 3.36 -1.23 0.00 -1.26 -4.98 105.19 101.20 1bnr n GLY 48 Ca 0.15 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.86 1.71 -0.09 1.61 1.02 -1.21 -5.02 119.74 111.90 1bnr s LYS 49 Ca 0.26 -1.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.19 1bnr s LYS 49 Cb -0.08 -0.11 0.03 0.00 -0.52 0.00 0.00 37.83 37.16 1bnr s LYS 49 CO 0.83 -0.51 0.22 -1.12 -0.92 0.00 0.00 175.35 173.86 1bnr s SER 50 N -3.42 -0.23 -0.45 2.83 0.01 0.16 -4.97 113.70 107.62 1bnr s SER 50 Ca 0.34 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.90 1bnr s SER 50 Cb 0.04 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.74 1bnr s SER 50 CO 0.19 -0.11 0.39 -0.63 0.41 0.00 0.00 173.24 173.49 1bnr s ILE 51 N 0.52 5.21 0.26 1.44 -1.09 -1.25 0.80 121.20 127.08 1bnr s ILE 51 Ca -0.03 -0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 57.32 1bnr s ILE 51 Cb -0.05 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1bnr s ILE 51 CO -0.03 -0.50 0.69 -0.83 -1.23 0.00 0.00 174.94 173.04 1bnr s GLY 52 N 2.28 -0.17 0.00 6.18 0.00 -1.24 -0.36 107.32 114.02 1bnr s GLY 52 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1bnr s GLY 52 CO 0.08 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.73 1bnr n GLY 53 N -0.44 0.33 3.87 0.20 0.00 -0.56 -3.34 105.19 105.24 1bnr n GLY 53 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1bnr n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bnr s ASP 54 N -2.13 6.04 0.42 1.61 -1.08 -1.23 -4.83 116.67 115.48 1bnr s ASP 54 Ca 0.00 1.40 -0.24 0.00 -0.52 0.00 0.00 52.55 53.19 1bnr s ASP 54 Cb 0.00 -2.41 -0.08 0.00 -1.46 0.00 0.00 42.92 38.97 1bnr s ASP 54 CO 0.00 -0.99 1.17 -0.63 0.52 0.00 0.00 175.17 175.24 1bnr s ILE 55 N -3.19 3.12 0.15 4.11 -1.09 -1.26 -1.57 121.20 121.47 1bnr s ILE 55 Ca 0.56 0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 59.72 1bnr s ILE 55 Cb -0.11 -3.49 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 1bnr s ILE 55 CO 0.54 0.05 0.59 0.12 -1.23 0.00 0.00 174.94 175.01 1bnr s PHE 56 N -1.45 3.64 0.00 3.97 5.36 -0.59 -4.61 117.98 124.31 1bnr s PHE 56 Ca 0.59 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1bnr s PHE 56 Cb -0.30 -2.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.94 1bnr s PHE 56 CO 0.38 0.43 0.00 0.45 -1.46 0.00 0.00 175.22 175.02 1bnr n SER 57 N 0.92 0.00 -0.07 6.13 2.88 -1.26 -4.59 113.62 117.63 1bnr n SER 57 Ca -0.05 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.48 1bnr n SER 57 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.01 -3.19 -0.20 -3.46 2.85 -1.26 -4.91 115.26 105.09 1bnr n ASN 58 Ca 0.00 0.02 -0.02 0.00 -0.11 0.00 0.00 54.58 54.47 1bnr n ASN 58 Cb 0.00 -0.77 0.08 0.00 1.24 0.00 0.00 39.78 40.33 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 0.34 0.53 0.00 1.20 9.65 -2.01 -3.29 114.38 120.81 1bnr h ARG 59 Ca -0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1bnr h ARG 59 Cb 0.09 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1bnr h ARG 59 CO 0.03 0.35 -0.02 0.93 2.80 0.00 0.00 179.97 184.07 1bnr h GLU 60 N 0.55 0.00 0.00 0.20 4.39 -2.02 -3.50 114.58 114.21 1bnr h GLU 60 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1bnr h GLU 60 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1bnr h GLU 60 CO -0.20 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.06 1bnr n GLY 61 N 1.92 0.15 0.01 -3.84 0.00 -1.24 -5.03 105.19 97.15 1bnr n GLY 61 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.05 -3.93 1.61 4.01 -1.26 -4.86 118.16 113.77 1bnr n LYS 62 Ca 0.00 0.01 -0.31 0.00 -0.51 0.00 0.00 58.31 57.50 1bnr n LYS 62 Cb 0.00 -1.52 -0.04 0.00 -0.51 0.00 0.00 35.03 32.95 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bnr s LEU 63 N -3.18 4.30 -0.91 -0.35 1.43 -1.26 -4.89 118.68 113.83 1bnr s LEU 63 Ca 0.10 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.19 1bnr s LEU 63 Cb 0.17 -2.91 -0.18 0.00 0.03 0.00 0.00 46.19 43.30 1bnr s LEU 63 CO 0.71 0.17 2.26 -2.65 0.23 0.00 0.00 176.35 177.07 1bnr n PRO 64 N 0.31 0.33 -3.61 1.29 -0.02 -1.26 -4.80 135.00 127.24 1bnr n PRO 64 Ca -0.05 -1.18 -0.13 0.00 -2.02 0.00 0.00 63.50 60.12 1bnr n PRO 64 Cb 0.51 -3.69 -0.07 0.00 -0.02 0.00 0.00 33.50 30.24 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 9.42 -0.42 0.13 -1.23 0.00 -1.26 -5.08 107.32 108.87 1bnr s GLY 65 Ca 0.87 2.10 -0.01 0.00 0.00 0.00 0.00 44.72 47.68 1bnr s GLY 65 CO 0.14 1.59 0.17 0.28 0.00 0.00 0.00 173.10 175.28 1bnr n LYS 66 N 2.12 0.36 -2.24 2.90 4.01 -1.26 -4.95 118.16 119.09 1bnr n LYS 66 Ca -0.14 -0.43 -0.39 0.00 -0.51 0.00 0.00 58.31 56.84 1bnr n LYS 66 Cb 0.56 -0.13 -0.02 0.00 -0.51 0.00 0.00 35.03 34.93 1bnr n LYS 66 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1bnr s SER 67 N -1.69 6.65 0.00 4.39 0.15 -1.26 -2.49 113.70 119.44 1bnr s SER 67 Ca 0.11 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1bnr s SER 67 Cb -0.01 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1bnr s SER 67 CO 0.08 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1bnr n GLY 68 N 0.76 2.39 3.88 9.45 0.00 -1.26 -5.03 105.19 115.38 1bnr n GLY 68 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.53 3.73 0.46 1.61 3.52 -1.04 -5.09 118.95 121.62 1bnr s ARG 69 Ca 0.00 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 1bnr s ARG 69 Cb 0.00 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 1bnr s ARG 69 CO 0.00 -0.16 0.08 0.99 -0.81 0.00 0.00 175.30 175.40 1bnr s THR 70 N -2.57 0.79 0.22 4.11 2.01 -1.26 -4.92 115.64 114.02 1bnr s THR 70 Ca 0.52 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.43 1bnr s THR 70 Cb -0.10 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 1bnr s THR 70 CO 0.37 0.00 0.35 0.26 -0.69 0.00 0.00 174.62 174.91 1bnr s TRP 71 N -3.05 0.61 -0.04 4.92 0.52 -1.26 -4.68 118.94 115.96 1bnr s TRP 71 Ca 0.14 -0.93 0.05 0.00 0.02 0.00 0.00 56.10 55.38 1bnr s TRP 71 Cb 0.01 -0.07 -0.01 0.00 -1.15 0.00 0.00 33.47 32.26 1bnr s TRP 71 CO 0.09 -0.85 -0.19 1.03 0.02 0.00 0.00 176.95 177.05 1bnr s ARG 72 N -4.06 1.81 0.15 4.98 3.00 -0.15 -1.54 118.95 123.14 1bnr s ARG 72 Ca 0.27 -0.67 0.09 0.00 0.00 0.00 0.00 55.73 55.42 1bnr s ARG 72 Cb 0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 34.95 33.32 1bnr s ARG 72 CO 0.09 0.31 -0.12 -1.83 0.00 0.00 0.00 175.30 173.75 1bnr s GLU 73 N -0.13 1.99 0.03 3.54 -1.05 -0.61 -0.13 118.70 122.34 1bnr s GLU 73 Ca -0.01 -1.20 -0.02 0.00 -0.15 0.00 0.00 54.97 53.60 1bnr s GLU 73 Cb -0.11 -2.17 -0.02 0.00 -0.44 0.00 0.00 34.13 31.39 1bnr s GLU 73 CO 0.01 0.46 0.01 0.00 0.95 0.00 0.00 175.26 176.70 1bnr s ALA 74 N -1.45 0.11 0.27 -0.84 0.00 0.17 -1.50 121.76 118.51 1bnr s ALA 74 Ca 0.22 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 1bnr s ALA 74 Cb -0.10 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1bnr s ALA 74 CO 0.13 -0.23 1.13 -0.51 0.00 0.00 0.00 175.76 176.29 1bnr s ASP 75 N -1.80 7.20 -0.02 0.00 1.01 0.51 -0.89 116.67 122.67 1bnr s ASP 75 Ca -0.10 2.30 0.03 0.00 0.71 0.00 0.00 52.55 55.48 1bnr s ASP 75 Cb -0.05 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 1bnr s ASP 75 CO -0.03 -0.22 -0.09 -0.63 0.21 0.00 0.00 175.17 174.41 1bnr s ILE 76 N -0.95 0.79 0.00 0.77 -1.09 -0.56 -4.72 121.20 115.43 1bnr s ILE 76 Ca 0.46 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1bnr s ILE 76 Cb -0.33 -0.68 0.00 0.00 -1.58 0.00 0.00 42.46 39.87 1bnr s ILE 76 CO 0.41 0.24 0.00 0.59 -1.23 0.00 0.00 174.94 174.95 1bnr n ASN 77 N 3.08 -4.00 -4.77 3.58 3.02 -0.91 -4.45 115.26 110.82 1bnr n ASN 77 Ca -0.16 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.00 1bnr n ASN 77 Cb 0.55 -1.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.10 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 -1.66 3.06 0.26 3.10 5.04 -1.26 -4.91 117.35 120.98 1bnr s TYR 78 Ca 0.00 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1bnr s TYR 78 Cb 0.00 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.87 1bnr s TYR 78 CO 0.00 -1.42 0.00 0.25 -1.34 0.00 0.00 175.55 173.04 1bnr n THR 79 N 0.18 0.02 -3.59 4.34 -2.24 -1.26 -5.01 114.28 106.72 1bnr n THR 79 Ca 0.04 0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1bnr n THR 79 Cb 0.46 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 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 -5.02 -0.27 0.00 3.42 0.01 -1.26 -4.83 113.70 105.76 1bnr s SER 80 Ca 0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1bnr s SER 80 Cb 0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1bnr s SER 80 CO 0.00 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1bnr n GLY 81 N -0.30 -2.53 3.19 3.44 0.00 -1.26 -4.89 105.19 102.83 1bnr n GLY 81 Ca -0.07 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.76 -3.53 -1.28 1.61 3.01 -1.24 -4.74 117.46 110.52 1bnr n PHE 82 Ca 0.00 0.08 -0.31 0.00 1.01 0.00 0.00 57.45 58.24 1bnr n PHE 82 Cb 0.00 -1.59 0.09 0.00 -0.01 0.00 0.00 39.48 37.97 1bnr n PHE 82 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1bnr s ARG 83 N -2.73 2.18 0.00 -1.08 0.52 -1.26 -4.98 118.95 111.60 1bnr s ARG 83 Ca 0.48 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.78 1bnr s ARG 83 Cb -0.20 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.38 1bnr s ARG 83 CO 0.76 -1.68 0.00 0.27 0.02 0.00 0.00 175.30 174.67 1bnr n ASN 84 N -3.54 0.58 -1.61 0.23 0.23 -1.26 -5.02 115.26 104.87 1bnr n ASN 84 Ca 0.09 -0.74 -0.10 0.00 -0.53 0.00 0.00 54.58 53.30 1bnr n ASN 84 Cb 0.53 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.45 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 -1.79 3.37 -4.45 0.53 7.64 -1.26 -4.94 113.62 112.72 1bnr n SER 85 Ca 0.00 -3.57 -0.34 0.00 1.01 0.00 0.00 58.87 55.97 1bnr n SER 85 Cb 0.00 -0.71 -0.13 0.00 -1.01 0.00 0.00 64.21 62.36 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 -1.86 4.68 -0.14 6.43 1.11 -1.26 -1.08 116.67 124.56 1bnr s ASP 86 Ca 0.50 -0.19 -0.24 0.00 0.18 0.00 0.00 52.55 52.79 1bnr s ASP 86 Cb 0.43 -1.77 0.06 0.00 1.07 0.00 0.00 42.92 42.71 1bnr s ASP 86 CO 0.06 0.12 0.61 -0.13 1.18 0.00 0.00 175.17 177.01 1bnr s ARG 87 N 0.65 0.85 -0.17 8.23 0.52 -0.52 -1.49 118.95 127.02 1bnr s ARG 87 Ca -0.02 0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.61 1bnr s ARG 87 Cb -0.14 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 1bnr s ARG 87 CO 0.02 -0.19 0.08 -1.50 0.02 0.00 0.00 175.30 173.73 1bnr s ILE 88 N -0.47 4.98 -0.47 1.52 2.07 -0.07 -1.02 121.20 127.75 1bnr s ILE 88 Ca -0.06 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.09 1bnr s ILE 88 Cb -0.03 -3.23 0.09 0.00 0.13 0.00 0.00 42.46 39.43 1bnr s ILE 88 CO 0.05 0.49 0.36 -0.76 -1.91 0.00 0.00 174.94 173.17 1bnr s LEU 89 N 0.04 5.58 -0.06 8.50 2.01 0.14 -0.66 118.68 134.23 1bnr s LEU 89 Ca 0.07 -1.58 -0.08 0.00 0.01 0.00 0.00 54.13 52.54 1bnr s LEU 89 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 43.95 1bnr s LEU 89 CO 0.00 -0.66 0.22 -0.72 1.01 0.00 0.00 176.35 176.21 1bnr s TYR 90 N 1.51 3.62 0.40 0.29 1.13 0.82 -1.14 117.35 123.97 1bnr s TYR 90 Ca 0.04 0.62 0.08 0.00 -1.41 0.00 0.00 57.07 56.39 1bnr s TYR 90 Cb -0.25 -2.01 -0.02 0.00 -1.10 0.00 0.00 41.96 38.58 1bnr s TYR 90 CO 0.03 0.69 0.40 0.45 -2.51 0.00 0.00 175.55 174.61 1bnr s SER 91 N -1.23 5.25 0.60 -0.18 0.15 -0.05 -0.98 113.70 117.26 1bnr s SER 91 Ca 0.20 -0.62 0.38 0.00 0.70 0.00 0.00 55.95 56.62 1bnr s SER 91 Cb -0.13 -0.69 1.87 0.00 -1.71 0.00 0.00 66.02 65.36 1bnr s SER 91 CO 0.09 -0.61 2.17 0.77 1.20 0.00 0.00 173.24 176.86 1bnr h SER 92 N 0.99 0.00 -0.30 5.45 4.64 -1.91 -0.30 113.55 122.11 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 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1bnr h SER 92 CO 0.55 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1bnr n ASP 93 N -3.13 2.99 -1.33 4.97 5.75 -1.26 -4.85 116.55 119.69 1bnr n ASP 93 Ca -0.01 -2.35 -0.13 0.00 -0.01 0.00 0.00 54.79 52.30 1bnr n ASP 93 Cb 0.19 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 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 0.37 -0.46 -2.82 2.11 5.03 -0.13 -4.95 117.44 116.59 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 0.62 -2.68 -0.04 0.00 -1.03 0.00 0.00 31.31 28.18 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 -3.44 4.14 -0.24 -0.99 1.43 -1.24 -4.80 118.68 113.54 1bnr s LEU 95 Ca 0.00 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 1bnr s LEU 95 Cb 0.00 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1bnr s LEU 95 CO 0.00 -1.38 0.42 -0.63 0.23 0.00 0.00 176.35 174.99 1bnr s ILE 96 N 4.18 5.15 0.32 -0.59 1.01 -0.82 -0.87 121.20 129.58 1bnr s ILE 96 Ca 0.27 0.71 0.09 0.00 0.00 0.00 0.00 60.65 61.72 1bnr s ILE 96 Cb -0.14 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 1bnr s ILE 96 CO 0.15 0.17 -0.11 -0.31 0.00 0.00 0.00 174.94 174.84 1bnr s TYR 97 N 1.88 2.30 0.02 3.97 1.51 -0.29 -1.56 117.35 125.17 1bnr s TYR 97 Ca 0.18 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1bnr s TYR 97 Cb -0.15 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1bnr s TYR 97 CO 0.09 0.55 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.43 1bnr s LYS 98 N -3.61 0.49 -0.05 -0.62 -2.85 0.52 -0.68 119.74 112.93 1bnr s LYS 98 Ca 0.31 -0.46 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 1bnr s LYS 98 Cb 0.01 -0.37 0.02 0.00 -2.06 0.00 0.00 37.83 35.43 1bnr s LYS 98 CO 0.15 0.09 -0.08 -0.08 0.10 0.00 0.00 175.35 175.53 1bnr s THR 99 N -0.71 0.79 -0.19 3.79 -1.32 -0.18 -0.88 115.64 116.93 1bnr s THR 99 Ca -0.03 -0.27 0.13 0.00 -1.21 0.00 0.00 61.69 60.30 1bnr s THR 99 Cb -0.06 -0.76 0.39 0.00 -1.51 0.00 0.00 72.50 70.56 1bnr s THR 99 CO 0.00 0.28 1.21 0.35 -2.21 0.00 0.00 174.62 174.25 1bnr n THR 100 N 3.96 2.15 -2.09 5.08 -2.24 -1.26 -1.43 114.28 118.45 1bnr n THR 100 Ca -0.24 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 58.56 1bnr n THR 100 Cb 0.51 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.19 0.10 -1.48 3.42 5.68 -1.07 -4.78 116.55 117.22 1bnr n ASP 101 Ca 0.19 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1bnr n ASP 101 Cb 0.69 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.09 0.00 -2.02 2.11 -0.00 -0.24 -3.75 115.22 111.41 1bnr n HIS 102 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.68 1bnr n HIS 102 Cb 0.73 -1.48 -0.01 0.00 -0.00 0.00 0.00 29.99 29.23 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 -0.95 -1.52 0.30 1.57 4.01 -1.26 -4.68 117.16 114.62 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 0.46 -1.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.07 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 -2.12 0.47 -3.75 -0.72 1.13 -1.25 -4.90 117.38 106.25 1bnr n GLN 104 Ca -0.03 0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.91 1bnr n GLN 104 Cb 0.38 -1.66 -0.11 0.00 0.11 0.00 0.00 30.24 28.96 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1bnr s THR 105 N -3.32 -0.01 -0.04 5.09 2.01 -1.26 -5.02 115.64 113.09 1bnr s THR 105 Ca 0.00 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.07 1bnr s THR 105 Cb 0.13 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 1bnr s THR 105 CO 0.82 0.01 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.19 1bnr s PHE 106 N 0.39 1.94 -0.03 4.92 0.08 -1.25 -3.83 117.98 120.19 1bnr s PHE 106 Ca -0.02 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.55 1bnr s PHE 106 Cb -0.04 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1bnr s PHE 106 CO -0.02 -0.16 -0.18 0.99 -0.10 0.00 0.00 175.22 175.76 1bnr s THR 107 N -0.10 1.43 0.12 0.64 2.01 -0.06 -4.82 115.64 114.86 1bnr s THR 107 Ca -0.02 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1bnr s THR 107 Cb -0.12 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.12 1bnr s THR 107 CO 0.02 0.41 0.97 -0.75 -0.69 0.00 0.00 174.62 174.58 1bnr s LYS 108 N -0.14 4.70 -0.37 4.92 2.20 -1.26 -0.35 119.74 129.43 1bnr s LYS 108 Ca 0.00 1.47 0.13 0.00 -0.36 0.00 0.00 55.97 57.21 1bnr s LYS 108 Cb -0.10 -3.37 0.37 0.00 -1.51 0.00 0.00 37.83 33.22 1bnr s LYS 108 CO 0.01 0.21 0.83 0.44 -0.36 0.00 0.00 175.35 176.48 1bnr n ILE 109 N 2.74 0.08 -0.80 5.43 -5.35 -0.60 -4.95 119.36 115.91 1bnr n ILE 109 Ca 0.02 -3.92 0.00 0.00 -0.27 0.00 0.00 62.75 58.59 1bnr n ILE 109 Cb 0.49 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33