#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr s GLN 2 N 0.00 2.94 0.88 0.00 0.74 -1.26 -4.96 119.66 117.99 1bnr s GLN 2 Ca 0.00 -0.42 -0.14 0.00 0.05 0.00 0.00 55.36 54.85 1bnr s GLN 2 Cb 0.00 -4.99 0.14 0.00 1.10 0.00 0.00 33.01 29.25 1bnr s GLN 2 CO 0.00 -2.83 1.24 0.08 -0.55 0.00 0.00 175.29 173.23 1bnr s VAL 3 N 8.01 2.01 -0.41 1.34 1.01 -1.26 -5.04 120.40 126.06 1bnr s VAL 3 Ca 0.59 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1bnr s VAL 3 Cb -0.06 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.44 1bnr s VAL 3 CO 0.01 0.00 0.13 -0.63 0.00 0.00 0.00 175.10 174.60 1bnr s ILE 4 N -3.71 2.34 -0.31 2.22 1.09 -1.26 -4.93 121.20 116.64 1bnr s ILE 4 Ca 0.68 -2.68 0.18 0.00 -1.10 0.00 0.00 60.65 57.73 1bnr s ILE 4 Cb -0.08 -2.69 0.46 0.00 -1.06 0.00 0.00 42.46 39.09 1bnr s ILE 4 CO 0.51 -0.68 1.05 -0.46 -0.10 0.00 0.00 174.94 175.26 1bnr n ASN 5 N 3.84 1.04 -1.21 3.58 6.94 -1.26 -4.65 115.26 123.54 1bnr n ASN 5 Ca 0.04 -2.51 -0.00 0.00 -0.02 0.00 0.00 54.58 52.09 1bnr n ASN 5 Cb 0.38 -0.32 -0.00 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 -0.29 0.00 0.02 5.53 -2.24 -1.26 -1.14 114.28 114.90 1bnr n THR 6 Ca 0.06 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.77 1bnr n THR 6 Cb 0.82 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.02 -0.16 -0.04 4.78 0.04 -1.95 -2.23 116.94 118.40 1bnr h PHE 7 Ca -0.01 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1bnr h PHE 7 Cb 0.02 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1bnr h PHE 7 CO 0.00 -0.06 -0.55 -0.44 -0.60 0.00 0.00 178.31 176.66 1bnr h ASP 8 N -1.04 0.12 0.11 2.17 5.19 -1.98 -1.15 116.42 119.85 1bnr h ASP 8 Ca -0.02 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1bnr h ASP 8 Cb 0.17 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1bnr h ASP 8 CO 0.03 0.64 -0.05 1.23 -3.12 0.00 0.00 179.24 177.97 1bnr h GLY 9 N 1.54 -0.16 0.86 2.75 0.00 -1.97 -0.59 103.07 105.50 1bnr h GLY 9 Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1bnr h GLY 9 CO 0.08 -0.06 0.01 -2.08 0.00 0.00 0.00 176.54 174.48 1bnr h VAL 10 N -0.58 1.25 -0.94 4.60 2.07 -1.42 -1.57 116.25 119.66 1bnr h VAL 10 Ca -0.02 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.71 1bnr h VAL 10 Cb 0.46 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1bnr h VAL 10 CO 0.03 0.28 0.60 0.00 0.02 0.00 0.00 177.57 178.50 1bnr h ALA 11 N 0.82 1.57 0.50 1.67 0.00 -1.24 0.11 119.26 122.68 1bnr h ALA 11 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bnr h ALA 11 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bnr h ALA 11 CO 0.01 0.24 -0.24 -0.44 0.00 0.00 0.00 179.25 178.83 1bnr h ASP 12 N 0.97 -0.57 -0.05 0.00 5.19 -0.67 -1.38 116.42 119.91 1bnr h ASP 12 Ca 0.44 -0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1bnr h ASP 12 Cb 0.38 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 1bnr h ASP 12 CO -0.19 -0.32 0.11 0.22 -3.12 0.00 0.00 179.24 175.93 1bnr h TYR 13 N -0.80 0.00 0.30 4.55 5.03 -0.57 0.37 116.97 125.86 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 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1bnr h TYR 13 CO -0.02 0.00 -0.15 -0.07 -1.32 0.00 0.00 178.16 176.61 1bnr h LEU 14 N 0.00 -0.35 0.00 2.82 3.38 0.15 -0.97 115.31 120.34 1bnr h LEU 14 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1bnr h LEU 14 Cb 0.23 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1bnr h LEU 14 CO -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1bnr n GLN 15 N -4.25 0.25 -0.00 1.13 6.02 -0.62 0.43 117.38 120.34 1bnr n GLN 15 Ca -0.05 0.12 -0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1bnr n GLN 15 Cb 0.16 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.00 5.09 2.02 -0.20 -3.40 112.91 116.42 1bnr h THR 16 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1bnr h THR 16 Cb 0.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1bnr h THR 16 CO 0.00 0.00 -0.37 -1.22 0.37 0.00 0.00 175.52 174.30 1bnr n TYR 17 N -2.37 0.00 -3.20 3.16 4.01 -0.38 -4.96 117.16 113.42 1bnr n TYR 17 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1bnr n TYR 17 Cb 0.01 -0.20 0.07 0.00 -0.31 0.00 0.00 39.34 38.91 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bnr n HIS 18 N -1.14 -2.29 0.00 -0.72 8.25 0.17 -4.98 115.22 114.50 1bnr n HIS 18 Ca 0.09 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1bnr n HIS 18 Cb 0.34 -4.24 0.00 0.00 1.12 0.00 0.00 29.99 27.21 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 -3.32 0.00 -1.39 -0.41 2.85 -1.23 -5.05 118.16 109.61 1bnr n LYS 19 Ca -0.11 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.74 1bnr n LYS 19 Cb 0.62 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.01 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 -1.05 -4.41 -5.58 4.77 -1.26 -4.68 117.00 104.78 1bnr n LEU 20 Ca 0.00 0.82 -0.33 0.00 -0.03 0.00 0.00 56.01 56.47 1bnr n LEU 20 Cb 0.00 -1.03 0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1bnr n LEU 20 CO 0.00 -3.49 -0.09 -2.65 -1.33 0.00 0.00 177.39 169.83 1bnr n PRO 21 N 0.77 -0.31 0.00 3.23 -0.02 -1.26 -4.81 135.00 132.61 1bnr n PRO 21 Ca 0.11 -0.05 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1bnr n PRO 21 Cb 0.42 -1.86 0.28 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.33 0.00 -0.75 2.55 8.00 -1.26 -1.52 116.55 122.25 1bnr n ASP 22 Ca 0.07 0.29 0.09 0.00 0.71 0.00 0.00 54.79 55.95 1bnr n ASP 22 Cb 0.54 -0.39 0.26 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.39 2.19 -4.33 -2.24 6.94 -1.26 -4.73 115.26 110.45 1bnr n ASN 23 Ca 0.04 -1.89 -0.46 0.00 -0.02 0.00 0.00 54.58 52.26 1bnr n ASN 23 Cb 0.12 -0.22 -0.04 0.00 -2.36 0.00 0.00 39.78 37.28 1bnr n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bnr s TYR 24 N -1.57 3.25 -0.24 -2.53 2.02 -0.57 -1.17 117.35 116.54 1bnr s TYR 24 Ca 0.31 -1.30 -0.07 0.00 -0.37 0.00 0.00 57.07 55.64 1bnr s TYR 24 Cb 0.17 -3.87 -0.03 0.00 -0.40 0.00 0.00 41.96 37.83 1bnr s TYR 24 CO 0.23 -1.10 0.06 0.96 -1.57 0.00 0.00 175.55 174.14 1bnr s ILE 25 N 1.71 4.33 0.97 2.71 -5.25 0.14 -4.56 121.20 121.25 1bnr s ILE 25 Ca 0.08 -0.17 -0.17 0.00 -0.99 0.00 0.00 60.65 59.40 1bnr s ILE 25 Cb -0.25 -3.01 0.02 0.00 2.95 0.00 0.00 42.46 42.17 1bnr s ILE 25 CO 0.02 0.36 -0.36 0.35 -1.79 0.00 0.00 174.94 173.52 1bnr n THR 26 N 4.74 0.00 -0.07 8.37 -2.24 -1.19 -3.73 114.28 120.15 1bnr n THR 26 Ca -0.16 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1bnr n THR 26 Cb 0.52 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.94 0.53 -0.96 -0.78 1.57 -1.89 -2.77 116.57 110.32 1bnr h LYS 27 Ca -0.34 -0.28 0.15 0.00 -1.87 0.00 0.00 60.65 58.31 1bnr h LYS 27 Cb 1.02 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.25 1bnr h LYS 27 CO 0.22 0.87 0.61 0.77 -0.57 0.00 0.00 179.45 181.34 1bnr h SER 28 N 0.21 0.77 -0.95 0.86 0.02 -1.98 0.34 113.55 112.83 1bnr h SER 28 Ca 0.03 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1bnr h SER 28 Cb 0.77 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 1bnr h SER 28 CO 0.05 0.37 0.63 -0.33 -1.14 0.00 0.00 176.83 176.41 1bnr h GLU 29 N 0.80 1.21 -0.40 3.45 4.39 -1.80 -0.54 114.58 121.70 1bnr h GLU 29 Ca 0.50 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 60.01 1bnr h GLU 29 Cb 0.70 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1bnr h GLU 29 CO -0.27 0.80 -0.20 0.00 -1.16 0.00 0.00 179.01 178.19 1bnr h ALA 30 N 1.42 0.89 -0.27 3.43 0.00 -0.20 -2.09 119.26 122.45 1bnr h ALA 30 Ca 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bnr h ALA 30 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1bnr h ALA 30 CO -0.09 0.63 0.07 1.96 0.00 0.00 0.00 179.25 181.81 1bnr h GLN 31 N 0.69 0.38 -0.78 0.00 4.20 0.12 -0.81 115.11 118.89 1bnr h GLN 31 Ca 0.10 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.81 1bnr h GLN 31 Cb 0.71 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1bnr h GLN 31 CO 0.05 0.35 0.52 0.00 -0.67 0.00 0.00 178.83 179.08 1bnr h ALA 32 N 1.70 1.57 0.00 3.87 0.00 -0.43 0.34 119.26 126.32 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 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bnr h ALA 32 CO -0.00 0.33 -0.09 -0.07 0.00 0.00 0.00 179.25 179.41 1bnr h LEU 33 N 0.92 0.00 0.00 0.00 4.07 -1.13 -3.47 115.31 115.70 1bnr h LEU 33 Ca 0.32 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1bnr h LEU 33 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1bnr h LEU 33 CO -0.10 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.88 1bnr n GLY 34 N 1.28 0.89 3.39 0.83 0.00 0.11 -5.00 105.19 106.70 1bnr n GLY 34 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.31 3.02 -0.33 1.61 -0.00 -0.53 -4.90 118.94 116.51 1bnr s TRP 35 Ca 0.00 -0.64 -0.21 0.00 -0.00 0.00 0.00 56.10 55.25 1bnr s TRP 35 Cb 0.00 -2.14 -0.00 0.00 -0.00 0.00 0.00 33.47 31.33 1bnr s TRP 35 CO 0.00 -0.40 0.67 0.08 -0.00 0.00 0.00 176.95 177.30 1bnr s VAL 36 N 1.39 4.88 -0.31 5.86 1.01 -1.26 -3.96 120.40 128.01 1bnr s VAL 36 Ca 0.05 0.83 0.17 0.00 0.00 0.00 0.00 61.98 63.03 1bnr s VAL 36 Cb -0.15 -4.06 0.17 0.00 0.00 0.00 0.00 36.38 32.35 1bnr s VAL 36 CO 0.00 -0.23 1.53 0.00 0.00 0.00 0.00 175.10 176.40 1bnr n ALA 37 N 6.03 1.00 0.01 5.51 0.00 -1.26 -0.85 120.51 130.95 1bnr n ALA 37 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 1bnr n ALA 37 Cb 0.49 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 1bnr n ALA 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bnr h SER 38 N 0.00 0.00 0.65 0.00 0.02 -2.05 -3.32 113.55 108.86 1bnr h SER 38 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bnr h SER 38 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1bnr h SER 38 CO 0.00 0.95 -1.01 0.29 -1.14 0.00 0.00 176.83 175.91 1bnr n LYS 39 N -3.13 0.41 -2.44 3.45 5.02 -0.03 -4.93 118.16 116.50 1bnr n LYS 39 Ca -0.10 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1bnr n LYS 39 Cb 0.99 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 34.32 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 1.30 -0.50 1.80 0.72 0.00 -0.37 -4.65 105.19 103.49 1bnr n GLY 40 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.80 6.05 0.17 1.61 2.04 -1.26 -2.94 115.26 119.12 1bnr n ASN 41 Ca -0.14 -2.83 -0.14 0.00 -0.44 0.00 0.00 54.58 51.03 1bnr n ASN 41 Cb 0.61 -1.11 -0.07 0.00 -2.53 0.00 0.00 39.78 36.68 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bnr h LEU 42 N 2.87 -0.46 -1.68 -4.53 5.85 -1.87 -0.12 115.31 115.37 1bnr h LEU 42 Ca 0.19 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1bnr h LEU 42 Cb 0.96 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1bnr h LEU 42 CO 0.49 -0.28 0.37 0.00 -0.34 0.00 0.00 178.44 178.68 1bnr h ALA 43 N 0.29 1.36 0.03 1.25 0.00 -1.80 0.60 119.26 120.99 1bnr h ALA 43 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1bnr h ALA 43 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1bnr h ALA 43 CO 0.00 -0.36 -1.85 -0.25 0.00 0.00 0.00 179.25 176.79 1bnr n ASP 44 N -2.73 1.17 -0.08 0.00 9.92 -0.16 -4.18 116.55 120.50 1bnr n ASP 44 Ca -0.02 0.32 -0.12 0.00 -0.53 0.00 0.00 54.79 54.45 1bnr n ASP 44 Cb 0.41 -0.21 -0.04 0.00 -0.64 0.00 0.00 41.12 40.64 1bnr n ASP 44 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1bnr n VAL 45 N -3.14 1.42 -3.72 2.53 0.24 0.41 -4.80 118.33 111.26 1bnr n VAL 45 Ca -0.23 0.06 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1bnr n VAL 45 Cb 1.06 -2.13 -0.08 0.00 -1.47 0.00 0.00 33.84 31.21 1bnr n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnr n ALA 46 N -4.25 3.69 -1.09 2.33 0.00 0.18 -5.06 120.51 116.32 1bnr n ALA 46 Ca -0.20 -4.58 -0.33 0.00 0.00 0.00 0.00 53.44 48.33 1bnr n ALA 46 Cb 0.53 -1.45 0.12 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.47 1.70 -0.84 0.00 0.04 -1.17 -3.79 135.00 129.46 1bnr s PRO 47 Ca 0.27 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 1bnr s PRO 47 Cb -0.05 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1bnr s PRO 47 CO -0.14 -2.14 0.62 0.41 0.04 0.00 0.00 177.00 175.79 1bnr n GLY 48 N 0.19 -1.28 3.07 0.56 0.00 -1.26 -4.97 105.19 101.51 1bnr n GLY 48 Ca 0.12 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.88 0.29 -0.06 1.61 3.01 -1.25 -5.02 119.74 113.45 1bnr s LYS 49 Ca 0.03 0.77 -0.20 0.00 -1.01 0.00 0.00 55.97 55.56 1bnr s LYS 49 Cb -0.02 -0.09 -0.05 0.00 -1.01 0.00 0.00 37.83 36.67 1bnr s LYS 49 CO 0.88 -0.41 0.57 -1.12 0.51 0.00 0.00 175.35 175.78 1bnr s SER 50 N 2.54 6.87 -0.57 2.83 0.01 -0.32 -4.86 113.70 120.21 1bnr s SER 50 Ca 0.04 1.04 -0.24 0.00 1.31 0.00 0.00 55.95 58.11 1bnr s SER 50 Cb -0.13 -2.34 0.05 0.00 0.21 0.00 0.00 66.02 63.80 1bnr s SER 50 CO -0.13 0.02 0.92 -0.63 0.41 0.00 0.00 173.24 173.84 1bnr s ILE 51 N 0.30 4.41 0.25 1.44 -1.09 -1.25 0.26 121.20 125.51 1bnr s ILE 51 Ca 0.30 0.12 -0.19 0.00 -2.23 0.00 0.00 60.65 58.66 1bnr s ILE 51 Cb -0.17 -4.54 0.02 0.00 -1.58 0.00 0.00 42.46 36.19 1bnr s ILE 51 CO 0.15 -1.15 0.63 -0.83 -1.23 0.00 0.00 174.94 172.51 1bnr s GLY 52 N 2.96 0.00 0.00 6.18 0.00 -1.24 0.29 107.32 115.51 1bnr s GLY 52 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1bnr s GLY 52 CO 0.17 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.67 1bnr n GLY 53 N -0.42 2.11 3.88 0.20 0.00 -0.60 -3.20 105.19 107.16 1bnr n GLY 53 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.60 5.45 0.96 1.61 -1.08 -1.25 -4.84 116.67 115.92 1bnr s ASP 54 Ca 0.00 1.16 -0.12 0.00 -0.52 0.00 0.00 52.55 53.07 1bnr s ASP 54 Cb 0.00 -1.97 0.16 0.00 -1.46 0.00 0.00 42.92 39.65 1bnr s ASP 54 CO 0.00 -1.34 1.09 -0.63 0.52 0.00 0.00 175.17 174.81 1bnr s ILE 55 N -3.34 2.42 -0.11 4.11 -1.09 -1.26 -1.53 121.20 120.40 1bnr s ILE 55 Ca 0.58 0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 59.11 1bnr s ILE 55 Cb -0.11 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 1bnr s ILE 55 CO 0.52 -0.18 -0.01 0.12 -1.23 0.00 0.00 174.94 174.17 1bnr s PHE 56 N -2.85 3.12 0.00 3.97 5.36 -0.13 -4.19 117.98 123.26 1bnr s PHE 56 Ca 0.65 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1bnr s PHE 56 Cb -0.19 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1bnr s PHE 56 CO 0.58 0.32 0.22 0.43 -1.46 0.00 0.00 175.22 175.32 1bnr n SER 57 N 2.58 0.00 0.00 6.13 7.64 -1.26 -4.76 113.62 123.94 1bnr n SER 57 Ca -0.18 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1bnr n SER 57 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.40 -2.89 -0.10 6.43 2.85 -1.26 -4.93 115.26 114.97 1bnr n ASN 58 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1bnr n ASN 58 Cb 0.00 -0.48 0.03 0.00 1.24 0.00 0.00 39.78 40.57 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 0.03 0.84 -0.19 1.20 1.12 -2.03 -3.13 114.38 112.22 1bnr h ARG 59 Ca 0.00 -0.41 -0.12 0.00 -1.11 0.00 0.00 59.98 58.34 1bnr h ARG 59 Cb 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1bnr h ARG 59 CO 0.00 1.05 -0.36 0.93 -3.11 0.00 0.00 179.97 178.47 1bnr h GLU 60 N 0.70 0.58 -0.39 0.20 5.08 -2.00 -3.48 114.58 115.27 1bnr h GLU 60 Ca 0.07 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1bnr h GLU 60 Cb 0.89 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1bnr h GLU 60 CO 0.08 0.98 0.00 0.41 -1.00 0.00 0.00 179.01 179.48 1bnr n GLY 61 N 0.40 0.62 0.01 -3.84 0.00 -1.18 -5.00 105.19 96.19 1bnr n GLY 61 Ca -0.06 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.19 0.09 -3.96 1.61 4.01 -1.26 -4.91 118.16 113.55 1bnr n LYS 62 Ca 0.00 -0.01 -0.29 0.00 -0.51 0.00 0.00 58.31 57.50 1bnr n LYS 62 Cb 0.11 -1.52 -0.04 0.00 -0.51 0.00 0.00 35.03 33.07 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 -3.25 4.25 -0.85 -0.35 1.43 -1.26 -4.93 118.68 113.72 1bnr s LEU 63 Ca 0.07 0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 53.12 1bnr s LEU 63 Cb 0.16 -2.85 -0.18 0.00 0.03 0.00 0.00 46.19 43.35 1bnr s LEU 63 CO 0.82 0.12 2.24 -2.65 0.23 0.00 0.00 176.35 177.10 1bnr n PRO 64 N -0.04 0.34 -2.41 1.29 -0.02 -1.26 -4.91 135.00 128.00 1bnr n PRO 64 Ca -0.06 -0.92 -0.31 0.00 -2.02 0.00 0.00 63.50 60.18 1bnr n PRO 64 Cb 0.52 -3.30 -0.03 0.00 -0.02 0.00 0.00 33.50 30.68 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 8.44 1.96 0.12 -1.23 0.00 -1.26 -5.05 107.32 110.30 1bnr s GLY 65 Ca 0.90 0.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.55 1bnr s GLY 65 CO 0.16 0.30 0.28 0.54 0.00 0.00 0.00 173.10 174.38 1bnr s LYS 66 N -4.22 1.00 -0.72 2.90 1.02 -1.26 -5.02 119.74 113.44 1bnr s LYS 66 Ca 0.56 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 55.29 1bnr s LYS 66 Cb -0.10 0.39 -0.16 0.00 -0.52 0.00 0.00 37.83 37.44 1bnr s LYS 66 CO 0.35 -0.36 2.50 0.43 -0.92 0.00 0.00 175.35 177.36 1bnr n SER 67 N -0.15 1.16 -1.51 2.83 7.64 -1.26 -1.00 113.62 121.33 1bnr n SER 67 Ca -0.13 0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 1bnr n SER 67 Cb 0.63 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1bnr n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnr n GLY 68 N 6.46 0.77 3.53 0.23 0.00 -1.26 -5.05 105.19 109.87 1bnr n GLY 68 Ca 0.53 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.20 3.76 -0.42 1.61 6.06 -0.17 -5.06 118.95 121.53 1bnr s ARG 69 Ca 0.02 -0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 52.76 1bnr s ARG 69 Cb -0.00 -3.14 0.11 0.00 0.06 0.00 0.00 34.95 31.98 1bnr s ARG 69 CO 0.03 0.12 0.22 0.99 -2.50 0.00 0.00 175.30 174.16 1bnr s THR 70 N 0.75 3.40 0.36 4.11 2.01 -1.26 -4.87 115.64 120.14 1bnr s THR 70 Ca 0.02 -2.03 -0.17 0.00 0.31 0.00 0.00 61.69 59.81 1bnr s THR 70 Cb -0.14 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.95 1bnr s THR 70 CO 0.02 -0.70 0.82 0.26 -0.69 0.00 0.00 174.62 174.33 1bnr s TRP 71 N 1.16 3.35 0.04 4.92 0.52 -1.26 -4.13 118.94 123.54 1bnr s TRP 71 Ca 0.08 1.37 0.07 0.00 0.02 0.00 0.00 56.10 57.64 1bnr s TRP 71 Cb -0.23 -2.66 -0.02 0.00 -1.15 0.00 0.00 33.47 29.41 1bnr s TRP 71 CO -0.04 0.02 -0.20 1.03 0.02 0.00 0.00 176.95 177.78 1bnr s ARG 72 N -3.05 1.35 0.26 4.98 0.52 -0.26 -0.96 118.95 121.79 1bnr s ARG 72 Ca 0.57 -0.92 0.10 0.00 -0.52 0.00 0.00 55.73 54.97 1bnr s ARG 72 Cb -0.10 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.88 1bnr s ARG 72 CO 0.16 0.37 -0.07 -1.83 0.02 0.00 0.00 175.30 173.94 1bnr s GLU 73 N -1.15 2.08 -0.01 3.54 -1.05 -0.58 -0.71 118.70 120.81 1bnr s GLU 73 Ca 0.07 -1.52 -0.10 0.00 -0.15 0.00 0.00 54.97 53.27 1bnr s GLU 73 Cb -0.09 -2.04 0.01 0.00 -0.44 0.00 0.00 34.13 31.58 1bnr s GLU 73 CO 0.02 0.36 0.19 0.00 0.95 0.00 0.00 175.26 176.78 1bnr s ALA 74 N -2.33 -0.48 0.27 -0.84 0.00 -0.09 -1.56 121.76 116.73 1bnr s ALA 74 Ca 0.30 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1bnr s ALA 74 Cb -0.06 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 1bnr s ALA 74 CO 0.18 -0.22 1.18 -0.51 0.00 0.00 0.00 175.76 176.39 1bnr s ASP 75 N -1.31 7.09 -0.02 0.00 1.11 0.14 -1.46 116.67 122.23 1bnr s ASP 75 Ca -0.14 2.37 0.04 0.00 0.18 0.00 0.00 52.55 55.00 1bnr s ASP 75 Cb -0.07 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.29 1bnr s ASP 75 CO 0.02 -0.30 -0.13 -0.63 1.18 0.00 0.00 175.17 175.31 1bnr s ILE 76 N -0.86 1.03 -0.49 0.77 -1.09 -0.17 -4.74 121.20 115.65 1bnr s ILE 76 Ca 0.48 -0.53 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1bnr s ILE 76 Cb -0.34 -0.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 1bnr s ILE 76 CO 0.43 0.30 0.32 0.59 -1.23 0.00 0.00 174.94 175.35 1bnr n ASN 77 N 2.96 -3.34 -4.76 3.58 4.13 -0.29 -4.22 115.26 113.32 1bnr n ASN 77 Ca -0.16 -0.15 -0.41 0.00 1.68 0.00 0.00 54.58 55.55 1bnr n ASN 77 Cb 0.55 -2.04 -0.03 0.00 -1.54 0.00 0.00 39.78 36.72 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 -2.96 3.25 0.00 3.10 5.04 -1.24 -4.83 117.35 119.71 1bnr s TYR 78 Ca 0.16 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1bnr s TYR 78 Cb -0.07 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.71 1bnr s TYR 78 CO 0.20 -1.37 0.00 0.25 -1.34 0.00 0.00 175.55 173.29 1bnr n THR 79 N 1.00 0.00 -3.58 4.34 -2.24 -1.26 -5.03 114.28 107.50 1bnr n THR 79 Ca -0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1bnr n THR 79 Cb 0.43 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.92 -0.27 0.30 3.42 0.01 -1.26 -4.90 113.70 111.92 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 -0.71 3.54 3.44 0.00 -1.26 -4.80 105.19 105.10 1bnr n GLY 81 Ca -0.07 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 0.20 -0.16 1.61 3.72 -1.15 -4.52 117.46 117.15 1bnr n PHE 82 Ca 0.00 0.49 -0.08 0.00 -0.05 0.00 0.00 57.45 57.81 1bnr n PHE 82 Cb 0.00 -2.08 0.08 0.00 -0.94 0.00 0.00 39.48 36.54 1bnr n PHE 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1bnr n ARG 83 N -0.14 -1.38 -4.64 -1.08 1.74 -1.26 -4.96 116.66 104.94 1bnr n ARG 83 Ca 0.12 -0.38 -0.33 0.00 -0.77 0.00 0.00 57.85 56.48 1bnr n ARG 83 Cb 0.44 -0.64 -0.06 0.00 -1.02 0.00 0.00 32.46 31.18 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 -1.94 4.24 -0.07 0.55 4.22 -1.26 -5.03 114.94 115.66 1bnr s ASN 84 Ca 0.18 -1.64 0.20 0.00 -2.14 0.00 0.00 52.86 49.46 1bnr s ASN 84 Cb -0.03 0.65 0.69 0.00 1.28 0.00 0.00 41.25 43.84 1bnr s ASN 84 CO 0.15 -0.96 1.59 -0.24 -2.04 0.00 0.00 177.10 175.60 1bnr n SER 85 N -1.39 4.42 -4.59 3.54 2.88 -1.26 -4.90 113.62 112.32 1bnr n SER 85 Ca -0.18 -2.27 -0.35 0.00 -1.33 0.00 0.00 58.87 54.74 1bnr n SER 85 Cb 0.67 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bnr s ASP 86 N -0.96 5.43 0.17 -3.46 1.01 -1.26 -0.09 116.67 117.51 1bnr s ASP 86 Ca 0.50 0.01 -0.16 0.00 0.71 0.00 0.00 52.55 53.62 1bnr s ASP 86 Cb 0.30 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 42.32 1bnr s ASP 86 CO 0.28 0.15 0.46 -0.13 0.21 0.00 0.00 175.17 176.14 1bnr s ARG 87 N 0.50 1.27 0.19 8.23 0.52 -0.56 -1.00 118.95 128.11 1bnr s ARG 87 Ca 0.02 -0.88 0.10 0.00 -0.52 0.00 0.00 55.73 54.46 1bnr s ARG 87 Cb -0.13 0.49 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 1bnr s ARG 87 CO 0.01 -0.52 -0.21 -1.50 0.02 0.00 0.00 175.30 173.10 1bnr s ILE 88 N -3.87 2.17 -0.21 1.52 2.07 -0.53 -1.08 121.20 121.26 1bnr s ILE 88 Ca 0.09 -2.04 0.01 0.00 -1.41 0.00 0.00 60.65 57.30 1bnr s ILE 88 Cb 0.00 -2.05 0.04 0.00 0.13 0.00 0.00 42.46 40.59 1bnr s ILE 88 CO -0.04 -0.23 -0.13 -0.76 -1.91 0.00 0.00 174.94 171.87 1bnr s LEU 89 N -2.79 2.51 -0.09 8.50 2.01 -0.25 -0.91 118.68 127.67 1bnr s LEU 89 Ca 0.20 -0.95 -0.02 0.00 0.01 0.00 0.00 54.13 53.37 1bnr s LEU 89 Cb -0.07 -1.36 -0.03 0.00 0.01 0.00 0.00 46.19 44.74 1bnr s LEU 89 CO 0.09 -0.12 0.00 -0.72 1.01 0.00 0.00 176.35 176.61 1bnr s TYR 90 N 1.31 3.16 0.47 0.29 1.13 0.11 -1.30 117.35 122.52 1bnr s TYR 90 Ca -0.02 0.18 0.07 0.00 -1.41 0.00 0.00 57.07 55.89 1bnr s TYR 90 Cb -0.16 -1.80 -0.00 0.00 -1.10 0.00 0.00 41.96 38.90 1bnr s TYR 90 CO -0.09 0.46 0.33 -1.12 -2.51 0.00 0.00 175.55 172.62 1bnr s SER 91 N -0.84 4.70 0.52 -0.18 0.01 0.27 -1.10 113.70 117.08 1bnr s SER 91 Ca 0.13 -1.05 0.26 0.00 1.31 0.00 0.00 55.95 56.60 1bnr s SER 91 Cb -0.11 -0.12 1.41 0.00 0.21 0.00 0.00 66.02 67.40 1bnr s SER 91 CO 0.02 -0.82 2.06 0.77 0.41 0.00 0.00 173.24 175.69 1bnr h SER 92 N 1.02 0.00 -0.29 2.44 4.64 -1.91 -0.34 113.55 119.10 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 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bnr h SER 92 CO 0.61 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.79 1bnr n ASP 93 N -3.70 3.11 -1.38 4.97 5.75 -1.26 -4.84 116.55 119.21 1bnr n ASP 93 Ca -0.02 -2.39 -0.13 0.00 -0.01 0.00 0.00 54.79 52.24 1bnr n ASP 93 Cb 0.24 -0.54 -0.02 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 0.35 -0.46 -2.62 2.11 5.03 -0.14 -4.95 117.44 116.76 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 0.65 -2.75 -0.02 0.00 -1.03 0.00 0.00 31.31 28.16 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 -3.59 3.94 -0.34 -0.99 1.43 -1.25 -4.74 118.68 113.15 1bnr s LEU 95 Ca 0.00 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1bnr s LEU 95 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.75 1bnr s LEU 95 CO 0.00 -0.89 0.07 -0.63 0.23 0.00 0.00 176.35 175.12 1bnr s ILE 96 N 3.70 2.99 -0.24 -0.59 1.01 -1.25 -0.57 121.20 126.24 1bnr s ILE 96 Ca 0.46 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.34 1bnr s ILE 96 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1bnr s ILE 96 CO 0.16 -0.34 0.07 -0.31 0.00 0.00 0.00 174.94 174.52 1bnr s TYR 97 N 1.18 3.09 0.27 3.97 1.51 -0.42 -1.61 117.35 125.34 1bnr s TYR 97 Ca 0.01 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 1bnr s TYR 97 Cb -0.21 -2.23 -0.07 0.00 -0.11 0.00 0.00 41.96 39.34 1bnr s TYR 97 CO -0.03 -0.33 0.61 -1.59 -1.11 0.00 0.00 175.55 173.10 1bnr s LYS 98 N 1.54 3.84 -0.03 -0.62 -2.85 -0.37 -1.08 119.74 120.16 1bnr s LYS 98 Ca 0.06 0.37 0.01 0.00 -1.00 0.00 0.00 55.97 55.40 1bnr s LYS 98 Cb -0.15 -2.58 0.02 0.00 -2.06 0.00 0.00 37.83 33.06 1bnr s LYS 98 CO 0.04 0.25 -0.02 -0.08 0.10 0.00 0.00 175.35 175.63 1bnr s THR 99 N -1.91 0.33 -0.67 3.79 -1.32 -0.24 -1.31 115.64 114.30 1bnr s THR 99 Ca 0.49 -0.04 0.07 0.00 -1.21 0.00 0.00 61.69 61.00 1bnr s THR 99 Cb -0.11 -0.37 0.14 0.00 -1.51 0.00 0.00 72.50 70.65 1bnr s THR 99 CO 0.21 0.16 0.99 0.35 -2.21 0.00 0.00 174.62 174.13 1bnr n THR 100 N 3.87 0.62 -1.57 5.08 -2.24 -1.26 -1.50 114.28 117.29 1bnr n THR 100 Ca -0.24 -0.81 0.06 0.00 -2.27 0.00 0.00 64.05 60.79 1bnr n THR 100 Cb 0.52 0.74 0.13 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.22 1.62 -1.75 3.42 5.68 -1.21 -4.56 116.55 119.97 1bnr n ASP 101 Ca 0.06 -3.07 -0.01 0.00 -0.50 0.00 0.00 54.79 51.27 1bnr n ASP 101 Cb 0.29 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 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 -0.88 -0.57 -1.46 2.11 -0.00 0.86 -3.69 115.22 111.60 1bnr n HIS 102 Ca 0.13 0.23 -0.09 0.00 0.46 0.00 0.00 57.72 58.45 1bnr n HIS 102 Cb 0.73 -1.95 -0.03 0.00 -0.12 0.00 0.00 29.99 28.61 1bnr n HIS 102 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1bnr n TYR 103 N -0.73 -0.71 -0.05 1.57 4.01 -1.26 -4.72 117.16 115.27 1bnr n TYR 103 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 1bnr n TYR 103 Cb 0.25 -2.15 -0.14 0.00 -0.31 0.00 0.00 39.34 36.99 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 -1.80 0.69 -5.16 -0.72 7.27 -1.24 -4.90 117.38 111.51 1bnr n GLN 104 Ca -0.10 0.20 -0.30 0.00 0.07 0.00 0.00 57.00 56.87 1bnr n GLN 104 Cb 0.35 -1.66 -0.16 0.00 2.41 0.00 0.00 30.24 31.18 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1bnr s THR 105 N -2.55 1.95 -0.13 1.69 2.01 -1.26 -4.99 115.64 112.36 1bnr s THR 105 Ca -0.17 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.71 1bnr s THR 105 Cb 0.07 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 71.00 1bnr s THR 105 CO 0.77 0.51 0.01 -0.36 -0.69 0.00 0.00 174.62 174.85 1bnr s PHE 106 N -0.62 0.93 -0.09 4.92 0.08 -1.24 -3.53 117.98 118.44 1bnr s PHE 106 Ca 0.10 -0.55 -0.00 0.00 0.12 0.00 0.00 56.93 56.60 1bnr s PHE 106 Cb -0.09 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.37 1bnr s PHE 106 CO -0.00 -0.48 -0.06 0.99 -0.10 0.00 0.00 175.22 175.57 1bnr s THR 107 N 1.89 3.74 -0.37 0.64 2.01 -0.43 -4.82 115.64 118.30 1bnr s THR 107 Ca 0.02 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 1bnr s THR 107 Cb -0.14 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.83 1bnr s THR 107 CO -0.07 0.57 1.11 -0.75 -0.69 0.00 0.00 174.62 174.80 1bnr s LYS 108 N -0.48 3.95 -0.48 4.92 2.20 -1.26 -1.24 119.74 127.35 1bnr s LYS 108 Ca 0.07 0.94 0.07 0.00 -0.36 0.00 0.00 55.97 56.69 1bnr s LYS 108 Cb -0.12 -3.80 0.26 0.00 -1.51 0.00 0.00 37.83 32.66 1bnr s LYS 108 CO 0.02 -1.06 0.64 0.44 -0.36 0.00 0.00 175.35 175.03 1bnr n ILE 109 N 6.19 0.61 -0.80 5.43 -5.35 -0.63 -5.00 119.36 119.80 1bnr n ILE 109 Ca 0.12 -4.56 0.00 0.00 -0.27 0.00 0.00 62.75 58.04 1bnr n ILE 109 Cb 0.48 -1.83 0.00 0.00 -1.74 0.00 0.00 39.64 36.54 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33