#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 4.53 0.13 0.00 -1.52 -1.26 -5.05 119.66 116.49 1bnr s GLN 2 Ca 0.00 1.17 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1bnr s GLN 2 Cb 0.00 -3.06 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1bnr s GLN 2 CO 0.00 0.45 0.17 1.33 -0.25 0.00 0.00 175.29 176.99 1bnr n VAL 3 N 1.11 0.00 -3.75 1.09 0.24 -1.26 -5.11 118.33 110.65 1bnr n VAL 3 Ca -0.03 -0.73 -0.36 0.00 -2.04 0.00 0.00 64.34 61.19 1bnr n VAL 3 Cb 0.49 0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.56 3.49 -0.38 1.34 1.01 -1.26 -4.93 121.20 117.91 1bnr s ILE 4 Ca 0.12 -2.67 0.11 0.00 0.00 0.00 0.00 60.65 58.20 1bnr s ILE 4 Cb -0.00 -3.33 0.33 0.00 0.01 0.00 0.00 42.46 39.47 1bnr s ILE 4 CO 0.08 -0.81 0.73 -0.46 0.00 0.00 0.00 174.94 174.49 1bnr n ASN 5 N 3.84 0.40 -2.09 3.58 6.94 -1.26 -4.64 115.26 122.03 1bnr n ASN 5 Ca 0.04 -3.02 -0.08 0.00 -0.02 0.00 0.00 54.58 51.50 1bnr n ASN 5 Cb 0.39 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.49 0.00 0.08 5.53 -2.24 -1.26 -1.89 114.28 114.99 1bnr n THR 6 Ca 0.23 -1.00 -0.09 0.00 -2.27 0.00 0.00 64.05 60.92 1bnr n THR 6 Cb 0.64 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.55 -0.27 -0.04 4.78 0.04 -1.97 -1.50 116.94 119.54 1bnr h PHE 7 Ca -0.14 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.49 1bnr h PHE 7 Cb 0.64 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1bnr h PHE 7 CO 0.00 0.06 -0.57 -0.44 -0.60 0.00 0.00 178.31 176.77 1bnr h ASP 8 N -0.98 0.14 0.27 2.17 5.19 -1.97 -0.54 116.42 120.70 1bnr h ASP 8 Ca -0.03 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1bnr h ASP 8 Cb 0.44 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1bnr h ASP 8 CO 0.05 0.67 -0.13 1.23 -3.12 0.00 0.00 179.24 177.94 1bnr h GLY 9 N 1.56 -0.38 1.06 2.75 0.00 -1.96 -0.95 103.07 105.15 1bnr h GLY 9 Ca -0.00 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1bnr h GLY 9 CO 0.08 -0.14 0.04 -2.08 0.00 0.00 0.00 176.54 174.44 1bnr h VAL 10 N -0.87 1.26 -0.82 4.60 2.07 -1.33 -1.59 116.25 119.57 1bnr h VAL 10 Ca -0.04 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.43 1bnr h VAL 10 Cb 0.51 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1bnr h VAL 10 CO 0.06 0.40 0.52 0.00 0.02 0.00 0.00 177.57 178.57 1bnr h ALA 11 N 0.99 1.09 0.48 1.67 0.00 -1.14 0.18 119.26 122.54 1bnr h ALA 11 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1bnr h ALA 11 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bnr h ALA 11 CO 0.02 0.33 -0.23 -0.44 0.00 0.00 0.00 179.25 178.94 1bnr h ASP 12 N 1.01 -0.54 -0.02 0.00 3.32 -0.72 -1.32 116.42 118.15 1bnr h ASP 12 Ca 0.34 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.38 1bnr h ASP 12 Cb 0.04 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1bnr h ASP 12 CO -0.13 -0.34 0.05 0.22 -1.72 0.00 0.00 179.24 177.33 1bnr h TYR 13 N -0.71 0.00 0.31 4.55 5.03 -0.85 0.24 116.97 125.54 1bnr h TYR 13 Ca -0.07 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1bnr h TYR 13 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.81 1bnr h TYR 13 CO -0.03 0.00 -0.15 -0.07 -1.32 0.00 0.00 178.16 176.59 1bnr h LEU 14 N 0.00 -0.35 0.00 2.82 3.38 0.40 -0.96 115.31 120.59 1bnr h LEU 14 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bnr h LEU 14 Cb 0.11 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bnr h LEU 14 CO -0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1bnr n GLN 15 N -4.73 0.05 -0.03 1.13 10.64 -0.61 0.47 117.38 124.29 1bnr n GLN 15 Ca -0.05 0.19 -0.02 0.00 -1.83 0.00 0.00 57.00 55.29 1bnr n GLN 15 Cb 0.16 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.04 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 -3.40 112.91 110.62 1bnr h THR 16 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1bnr h THR 16 Cb 0.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1bnr h THR 16 CO 0.00 0.00 -0.52 -1.22 0.37 0.00 0.00 175.52 174.15 1bnr n TYR 17 N -3.37 0.14 -3.28 3.16 4.01 -0.37 -4.96 117.16 112.49 1bnr n TYR 17 Ca -0.03 0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1bnr n TYR 17 Cb 0.12 -0.37 0.08 0.00 -0.31 0.00 0.00 39.34 38.86 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 -1.66 -2.18 0.00 -0.72 8.25 0.17 -4.98 115.22 114.10 1bnr n HIS 18 Ca 0.05 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1bnr n HIS 18 Cb 0.36 -4.60 0.00 0.00 1.12 0.00 0.00 29.99 26.87 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 -3.66 0.00 -1.29 -0.41 2.85 -1.24 -5.05 118.16 109.36 1bnr n LYS 19 Ca -0.20 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.68 1bnr n LYS 19 Cb 0.64 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.06 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 -1.67 -4.43 -5.58 4.77 -1.26 -4.70 117.00 104.12 1bnr n LEU 20 Ca 0.00 0.62 -0.32 0.00 -0.03 0.00 0.00 56.01 56.28 1bnr n LEU 20 Cb 0.00 -1.01 0.16 0.00 -2.33 0.00 0.00 43.42 40.24 1bnr n LEU 20 CO 0.00 -4.06 0.01 -2.65 -1.33 0.00 0.00 177.39 169.36 1bnr n PRO 21 N 0.68 -0.91 0.00 3.23 -0.02 -1.26 -4.82 135.00 131.91 1bnr n PRO 21 Ca 0.08 -0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1bnr n PRO 21 Cb 0.49 -1.95 0.32 0.00 -0.02 0.00 0.00 33.50 32.34 1bnr n PRO 21 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1bnr n ASP 22 N -2.38 0.00 -2.21 2.55 -0.08 -1.26 -2.33 116.55 110.85 1bnr n ASP 22 Ca 0.06 0.24 -0.25 0.00 -1.51 0.00 0.00 54.79 53.32 1bnr n ASP 22 Cb 0.55 -0.36 0.16 0.00 2.34 0.00 0.00 41.12 43.81 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1bnr n ASN 23 N -1.36 4.43 -3.86 1.67 6.94 -1.26 -4.73 115.26 117.09 1bnr n ASN 23 Ca 0.05 -3.59 -0.28 0.00 -0.02 0.00 0.00 54.58 50.74 1bnr n ASN 23 Cb 0.13 -0.86 -0.12 0.00 -2.36 0.00 0.00 39.78 36.57 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 -3.27 3.25 -0.14 -2.53 2.02 -0.98 -0.69 117.35 115.00 1bnr s TYR 24 Ca 0.56 -3.20 -0.18 0.00 -0.37 0.00 0.00 57.07 53.89 1bnr s TYR 24 Cb 0.47 -2.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.42 1bnr s TYR 24 CO 0.08 -0.61 0.47 0.96 -1.57 0.00 0.00 175.55 174.88 1bnr s ILE 25 N -1.06 5.18 0.98 2.71 -4.36 0.19 -4.35 121.20 120.50 1bnr s ILE 25 Ca 0.24 0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 61.37 1bnr s ILE 25 Cb -0.09 -3.80 0.05 0.00 1.25 0.00 0.00 42.46 39.87 1bnr s ILE 25 CO -0.13 0.30 -0.22 0.35 0.24 0.00 0.00 174.94 175.48 1bnr n THR 26 N 3.86 0.00 -0.07 8.37 -2.24 -1.24 -3.74 114.28 119.23 1bnr n THR 26 Ca -0.07 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1bnr n THR 26 Cb 0.51 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.07 0.58 -0.94 -0.78 6.56 -1.91 -2.90 116.57 115.10 1bnr h LYS 27 Ca -0.33 -0.34 0.11 0.00 -1.06 0.00 0.00 60.65 59.02 1bnr h LYS 27 Cb 0.99 0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.61 1bnr h LYS 27 CO 0.22 0.95 0.60 0.77 -2.06 0.00 0.00 179.45 179.93 1bnr h SER 28 N 0.26 0.85 -0.95 0.86 0.02 -1.98 0.18 113.55 112.78 1bnr h SER 28 Ca 0.02 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1bnr h SER 28 Cb 0.89 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1bnr h SER 28 CO 0.07 0.48 0.61 -0.33 -1.14 0.00 0.00 176.83 176.52 1bnr h GLU 29 N 0.93 1.11 -0.41 3.45 4.39 -1.82 0.14 114.58 122.36 1bnr h GLU 29 Ca 0.45 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.98 1bnr h GLU 29 Cb 0.46 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1bnr h GLU 29 CO -0.21 0.74 -0.16 0.00 -1.16 0.00 0.00 179.01 178.22 1bnr h ALA 30 N 1.42 0.94 -0.25 3.43 0.00 -0.55 -2.00 119.26 122.25 1bnr h ALA 30 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bnr h ALA 30 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bnr h ALA 30 CO -0.15 0.61 0.11 1.96 0.00 0.00 0.00 179.25 181.79 1bnr h GLN 31 N 0.69 0.34 -0.64 0.00 4.20 0.27 -1.01 115.11 118.97 1bnr h GLN 31 Ca 0.11 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1bnr h GLN 31 Cb 0.65 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1bnr h GLN 31 CO 0.05 0.28 0.35 0.00 -0.67 0.00 0.00 178.83 178.84 1bnr h ALA 32 N 1.78 1.41 -0.00 3.87 0.00 -0.36 -0.71 119.26 125.26 1bnr h ALA 32 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bnr h ALA 32 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1bnr h ALA 32 CO -0.01 0.49 -0.04 1.28 0.00 0.00 0.00 179.25 180.96 1bnr n LEU 33 N -4.38 0.06 0.00 0.00 4.32 -0.45 -4.88 117.00 111.68 1bnr n LEU 33 Ca 0.06 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 1bnr n LEU 33 Cb 0.10 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1bnr n LEU 33 CO 0.37 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1bnr n GLY 34 N 1.44 0.67 3.20 -0.72 0.00 -0.27 -4.91 105.19 104.60 1bnr n GLY 34 Ca 0.09 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.78 2.73 -0.39 1.61 -0.00 -0.82 -4.70 118.94 116.60 1bnr s TRP 35 Ca 0.00 -1.25 -0.21 0.00 -0.00 0.00 0.00 56.10 54.64 1bnr s TRP 35 Cb 0.00 -1.86 0.01 0.00 -0.00 0.00 0.00 33.47 31.62 1bnr s TRP 35 CO 0.00 -0.58 0.66 0.08 -0.00 0.00 0.00 176.95 177.11 1bnr s VAL 36 N 0.89 4.84 -0.19 5.86 1.01 -1.26 -4.04 120.40 127.52 1bnr s VAL 36 Ca -0.05 0.47 0.28 0.00 0.00 0.00 0.00 61.98 62.68 1bnr s VAL 36 Cb -0.15 -4.14 0.29 0.00 0.00 0.00 0.00 36.38 32.38 1bnr s VAL 36 CO -0.03 -0.43 1.83 0.00 0.00 0.00 0.00 175.10 176.47 1bnr h ALA 37 N 8.62 1.00 0.00 5.51 0.00 -1.98 0.13 119.26 132.54 1bnr h ALA 37 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bnr h ALA 37 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bnr h ALA 37 CO 0.87 0.00 -0.63 0.43 0.00 0.00 0.00 179.25 179.91 1bnr n SER 38 N -2.52 0.62 -0.00 0.00 7.64 -1.26 -3.91 113.62 114.18 1bnr n SER 38 Ca 0.01 -0.02 0.03 0.00 1.01 0.00 0.00 58.87 59.90 1bnr n SER 38 Cb 0.20 0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1bnr n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bnr n LYS 39 N -1.91 4.72 -3.48 1.43 5.02 -0.54 -5.03 118.16 118.37 1bnr n LYS 39 Ca 0.04 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 1bnr n LYS 39 Cb 0.41 -0.82 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 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 1.15 -1.16 2.19 0.72 0.00 0.34 -4.70 105.19 103.72 1bnr n GLY 40 Ca 0.01 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.42 4.72 0.34 1.61 6.94 -1.24 -3.37 115.26 121.85 1bnr n ASN 41 Ca -0.12 -3.68 -0.16 0.00 -0.02 0.00 0.00 54.58 50.60 1bnr n ASN 41 Cb 0.59 -0.38 -0.08 0.00 -2.36 0.00 0.00 39.78 37.54 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 2.32 -0.74 -1.46 -4.53 5.85 -1.88 -1.96 115.31 112.91 1bnr h LEU 42 Ca 0.33 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1bnr h LEU 42 Cb 1.34 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1bnr h LEU 42 CO 0.77 -0.43 0.54 0.00 -0.34 0.00 0.00 178.44 178.97 1bnr h ALA 43 N -0.79 1.62 0.16 1.25 0.00 -1.82 0.66 119.26 120.34 1bnr h ALA 43 Ca -0.09 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1bnr h ALA 43 Cb 0.71 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1bnr h ALA 43 CO 0.15 -0.57 -1.55 -0.44 0.00 0.00 0.00 179.25 176.83 1bnr h ASP 44 N 0.00 0.53 0.00 0.00 5.19 -1.74 -3.37 116.42 117.03 1bnr h ASP 44 Ca 0.03 -0.70 -0.17 0.00 -0.62 0.00 0.00 57.03 55.57 1bnr h ASP 44 Cb 1.11 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.42 1bnr h ASP 44 CO -0.00 1.57 -1.42 1.33 -3.12 0.00 0.00 179.24 177.60 1bnr n VAL 45 N -3.54 1.18 -3.71 -1.35 0.24 0.80 -4.82 118.33 107.12 1bnr n VAL 45 Ca -0.18 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.34 61.74 1bnr n VAL 45 Cb 1.06 -1.89 -0.08 0.00 -1.47 0.00 0.00 33.84 31.46 1bnr n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnr s ALA 46 N -2.45 4.14 0.80 2.33 0.00 0.19 -5.03 121.76 121.75 1bnr s ALA 46 Ca -0.23 -3.86 -0.13 0.00 0.00 0.00 0.00 51.96 47.75 1bnr s ALA 46 Cb 0.07 -2.63 0.08 0.00 0.00 0.00 0.00 23.12 20.63 1bnr s ALA 46 CO 0.30 -2.13 1.18 -1.25 0.00 0.00 0.00 175.76 173.86 1bnr s PRO 47 N -1.42 1.75 -1.31 0.00 0.04 -1.19 -3.41 135.00 129.46 1bnr s PRO 47 Ca 0.27 1.65 -0.21 0.00 0.04 0.00 0.00 61.00 62.75 1bnr s PRO 47 Cb -0.06 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1bnr s PRO 47 CO -0.14 -2.11 0.50 0.41 0.04 0.00 0.00 177.00 175.70 1bnr n GLY 48 N 0.22 -0.61 2.94 0.56 0.00 -1.26 -4.93 105.19 102.11 1bnr n GLY 48 Ca 0.13 0.29 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 -7.13 1.79 0.02 1.61 -0.14 -1.22 -5.05 119.74 109.62 1bnr s LYS 49 Ca 0.32 -0.37 -0.19 0.00 -1.36 0.00 0.00 55.97 54.37 1bnr s LYS 49 Cb -0.16 -1.78 -0.06 0.00 -1.68 0.00 0.00 37.83 34.15 1bnr s LYS 49 CO 0.96 -0.26 0.55 -1.12 -0.76 0.00 0.00 175.35 174.72 1bnr s SER 50 N 1.63 6.98 -0.33 2.83 0.01 0.13 -4.93 113.70 120.02 1bnr s SER 50 Ca 0.05 1.16 -0.10 0.00 1.31 0.00 0.00 55.95 58.37 1bnr s SER 50 Cb -0.13 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1bnr s SER 50 CO -0.09 0.20 0.17 -0.63 0.41 0.00 0.00 173.24 173.30 1bnr s ILE 51 N -0.67 4.61 0.22 1.44 -1.09 -1.26 0.54 121.20 125.00 1bnr s ILE 51 Ca 0.29 -0.56 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 1bnr s ILE 51 Cb -0.18 -3.42 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 1bnr s ILE 51 CO 0.17 -0.03 0.90 -0.83 -1.23 0.00 0.00 174.94 173.92 1bnr s GLY 52 N 1.60 -0.04 0.00 6.18 0.00 -1.24 -0.22 107.32 113.59 1bnr s GLY 52 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1bnr s GLY 52 CO 0.06 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.17 1bnr n GLY 53 N -0.52 0.81 3.85 0.20 0.00 -0.59 -3.65 105.19 105.28 1bnr n GLY 53 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.37 6.81 0.32 1.61 1.11 -1.22 -4.89 116.67 118.05 1bnr s ASP 54 Ca 0.00 1.23 -0.29 0.00 0.18 0.00 0.00 52.55 53.67 1bnr s ASP 54 Cb 0.00 -2.35 -0.10 0.00 1.07 0.00 0.00 42.92 41.54 1bnr s ASP 54 CO 0.00 -0.10 1.29 -0.63 1.18 0.00 0.00 175.17 176.90 1bnr s ILE 55 N -1.81 2.81 -0.74 0.77 -1.09 -1.26 -1.51 121.20 118.37 1bnr s ILE 55 Ca 0.49 0.81 -0.13 0.00 -2.23 0.00 0.00 60.65 59.59 1bnr s ILE 55 Cb -0.12 -3.52 0.19 0.00 -1.58 0.00 0.00 42.46 37.43 1bnr s ILE 55 CO 0.19 0.19 0.67 0.12 -1.23 0.00 0.00 174.94 174.88 1bnr s PHE 56 N -1.10 3.62 -1.53 3.97 5.36 -0.61 -4.72 117.98 122.97 1bnr s PHE 56 Ca 0.49 -1.95 0.16 0.00 -0.96 0.00 0.00 56.93 54.67 1bnr s PHE 56 Cb -0.39 -3.73 0.82 0.00 -0.34 0.00 0.00 43.02 39.38 1bnr s PHE 56 CO 0.51 -0.98 1.43 -1.13 -1.46 0.00 0.00 175.22 173.59 1bnr n SER 57 N 4.18 0.00 -2.02 6.13 3.41 -1.26 -4.05 113.62 120.01 1bnr n SER 57 Ca 0.07 -0.04 -0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1bnr n SER 57 Cb 0.44 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.23 -4.58 -0.32 4.04 2.85 -1.26 -4.83 115.26 109.93 1bnr n ASN 58 Ca 0.08 0.59 0.21 0.00 -0.11 0.00 0.00 54.58 55.36 1bnr n ASN 58 Cb 0.11 -2.86 0.49 0.00 1.24 0.00 0.00 39.78 38.76 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 1.28 0.42 0.00 1.20 2.43 -1.98 -3.37 114.38 114.36 1bnr h ARG 59 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1bnr h ARG 59 Cb 0.03 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1bnr h ARG 59 CO 0.05 0.28 0.00 -1.91 -1.51 0.00 0.00 179.97 176.87 1bnr n GLU 60 N -4.63 0.00 0.00 0.20 2.13 -1.26 -5.11 120.64 111.97 1bnr n GLU 60 Ca 0.24 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1bnr n GLU 60 Cb 0.82 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.53 1bnr n GLU 60 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bnr n GLY 61 N 3.04 -0.66 0.04 8.31 0.00 -1.26 -5.06 105.19 109.61 1bnr n GLY 61 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 4.26 -3.56 1.61 5.02 -1.26 -5.01 118.16 119.22 1bnr n LYS 62 Ca 0.00 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1bnr n LYS 62 Cb 0.00 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnr s LEU 63 N -1.78 4.27 -0.95 -0.35 1.43 -1.26 -4.94 118.68 115.09 1bnr s LEU 63 Ca 0.02 0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 1bnr s LEU 63 Cb 0.03 -3.31 -0.19 0.00 0.03 0.00 0.00 46.19 42.75 1bnr s LEU 63 CO 0.14 0.06 2.26 -2.84 0.23 0.00 0.00 176.35 176.20 1bnr s PRO 64 N -2.45 1.31 0.45 1.29 0.01 -1.26 -4.91 135.00 129.44 1bnr s PRO 64 Ca 0.40 0.00 0.04 0.00 0.01 0.00 0.00 61.00 61.45 1bnr s PRO 64 Cb -0.13 -4.88 0.01 0.00 0.01 0.00 0.00 34.50 29.51 1bnr s PRO 64 CO 0.22 -5.11 0.64 0.20 0.01 0.00 0.00 177.00 172.96 1bnr s GLY 65 N 9.66 1.73 0.03 0.52 0.00 -1.26 -5.06 107.32 112.94 1bnr s GLY 65 Ca 0.87 -1.36 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 1bnr s GLY 65 CO 0.14 -1.17 0.04 0.28 0.00 0.00 0.00 173.10 172.38 1bnr n LYS 66 N -2.01 0.06 -1.92 2.90 4.76 -1.26 -5.02 118.16 115.66 1bnr n LYS 66 Ca 0.04 -0.23 -0.32 0.00 -2.87 0.00 0.00 58.31 54.93 1bnr n LYS 66 Cb 0.59 0.22 -0.04 0.00 -1.84 0.00 0.00 35.03 33.96 1bnr n LYS 66 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bnr s SER 67 N -1.18 4.96 0.00 4.39 0.15 -1.26 -3.01 113.70 117.75 1bnr s SER 67 Ca 0.02 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1bnr s SER 67 Cb -0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1bnr s SER 67 CO 0.02 -2.72 0.00 0.61 1.20 0.00 0.00 173.24 172.34 1bnr n GLY 68 N 6.21 0.82 3.15 9.45 0.00 -1.26 -5.09 105.19 118.46 1bnr n GLY 68 Ca 0.32 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.58 1.68 0.27 1.61 3.52 -1.16 -5.14 118.95 117.15 1bnr s ARG 69 Ca 0.00 -0.63 0.10 0.00 -0.13 0.00 0.00 55.73 55.07 1bnr s ARG 69 Cb 0.00 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 1bnr s ARG 69 CO 0.00 0.30 -0.03 0.99 -0.81 0.00 0.00 175.30 175.75 1bnr s THR 70 N -0.12 3.26 0.31 4.11 2.01 -1.26 -4.77 115.64 119.18 1bnr s THR 70 Ca -0.00 -1.99 0.03 0.00 0.31 0.00 0.00 61.69 60.04 1bnr s THR 70 Cb -0.10 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1bnr s THR 70 CO 0.01 -0.37 0.11 0.26 -0.69 0.00 0.00 174.62 173.94 1bnr s TRP 71 N -2.36 1.70 0.03 4.92 0.52 -1.26 -4.11 118.94 118.38 1bnr s TRP 71 Ca 0.31 -1.18 0.02 0.00 0.02 0.00 0.00 56.10 55.27 1bnr s TRP 71 Cb -0.06 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1bnr s TRP 71 CO 0.19 -0.28 -0.06 1.03 0.02 0.00 0.00 176.95 177.85 1bnr s ARG 72 N -3.90 0.46 0.22 4.98 0.52 0.83 -1.58 118.95 120.47 1bnr s ARG 72 Ca 0.35 -0.64 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 1bnr s ARG 72 Cb 0.07 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 1bnr s ARG 72 CO 0.15 0.03 -0.17 -1.83 0.02 0.00 0.00 175.30 173.50 1bnr s GLU 73 N -1.36 1.42 0.01 3.54 -1.05 -0.57 -0.29 118.70 120.41 1bnr s GLU 73 Ca -0.10 -1.60 -0.13 0.00 -0.15 0.00 0.00 54.97 53.00 1bnr s GLU 73 Cb -0.09 -1.38 0.02 0.00 -0.44 0.00 0.00 34.13 32.24 1bnr s GLU 73 CO 0.00 0.25 0.27 0.00 0.95 0.00 0.00 175.26 176.74 1bnr s ALA 74 N -2.58 -0.64 0.06 -0.84 0.00 0.21 -1.54 121.76 116.43 1bnr s ALA 74 Ca 0.23 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 1bnr s ALA 74 Cb -0.03 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1bnr s ALA 74 CO 0.09 -0.32 1.02 -0.51 0.00 0.00 0.00 175.76 176.04 1bnr s ASP 75 N -1.69 7.35 -0.16 0.00 1.11 0.70 -1.39 116.67 122.60 1bnr s ASP 75 Ca -0.10 1.79 0.00 0.00 0.18 0.00 0.00 52.55 54.43 1bnr s ASP 75 Cb -0.03 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1bnr s ASP 75 CO 0.00 -0.24 -0.15 -0.63 1.18 0.00 0.00 175.17 175.33 1bnr s ILE 76 N 0.62 2.60 0.10 0.77 -1.09 -0.44 -4.80 121.20 118.96 1bnr s ILE 76 Ca 0.51 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1bnr s ILE 76 Cb -0.24 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 1bnr s ILE 76 CO 0.29 0.51 0.00 0.59 -1.23 0.00 0.00 174.94 175.11 1bnr n ASN 77 N 4.17 -5.86 -3.64 3.58 3.02 -0.79 -4.36 115.26 111.38 1bnr n ASN 77 Ca -0.19 0.80 -0.07 0.00 -0.03 0.00 0.00 54.58 55.08 1bnr n ASN 77 Cb 0.51 -3.24 -0.07 0.00 -0.61 0.00 0.00 39.78 36.38 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 -0.29 -0.39 0.00 3.10 5.04 -1.26 -4.66 117.35 118.89 1bnr s TYR 78 Ca 0.00 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1bnr s TYR 78 Cb 0.00 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1bnr s TYR 78 CO 0.00 -0.19 0.00 0.25 -1.34 0.00 0.00 175.55 174.27 1bnr n THR 79 N 2.23 0.00 -4.19 4.34 -2.24 -1.26 -5.00 114.28 108.15 1bnr n THR 79 Ca -0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1bnr n THR 79 Cb 0.56 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.86 0.30 0.04 3.42 1.04 -1.26 -4.64 113.70 113.46 1bnr s SER 80 Ca 0.00 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1bnr s SER 80 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1bnr s SER 80 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1bnr n GLY 81 N -0.32 -2.17 3.22 7.32 0.00 -1.26 -4.88 105.19 107.11 1bnr n GLY 81 Ca 0.02 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.80 -1.63 -0.95 1.61 3.72 -1.22 -4.68 117.46 113.51 1bnr n PHE 82 Ca 0.00 0.25 -0.30 0.00 -0.05 0.00 0.00 57.45 57.35 1bnr n PHE 82 Cb 0.03 -1.55 0.26 0.00 -0.94 0.00 0.00 39.48 37.27 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 -0.82 -3.39 -2.17 -1.08 1.74 -1.26 -4.94 116.66 104.73 1bnr n ARG 83 Ca 0.01 -1.72 -0.07 0.00 -0.77 0.00 0.00 57.85 55.29 1bnr n ARG 83 Cb 0.63 -1.68 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 -5.01 1.51 -0.85 0.55 6.94 -1.26 -5.03 115.26 112.10 1bnr n ASN 84 Ca 0.15 -1.54 0.07 0.00 -0.02 0.00 0.00 54.58 53.24 1bnr n ASN 84 Cb 0.59 -0.01 0.21 0.00 -2.36 0.00 0.00 39.78 38.21 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1bnr n SER 85 N -1.95 3.30 -4.69 0.53 7.64 -1.26 -4.94 113.62 112.24 1bnr n SER 85 Ca -0.01 -2.09 -0.36 0.00 1.01 0.00 0.00 58.87 57.42 1bnr n SER 85 Cb 0.18 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.06 6.12 0.09 6.43 1.01 -1.26 -0.24 116.67 127.76 1bnr s ASP 86 Ca 0.31 0.17 -0.15 0.00 0.71 0.00 0.00 52.55 53.59 1bnr s ASP 86 Cb 0.17 -2.08 0.03 0.00 1.01 0.00 0.00 42.92 42.05 1bnr s ASP 86 CO 0.19 0.13 0.37 -0.13 0.21 0.00 0.00 175.17 175.95 1bnr s ARG 87 N 0.63 0.98 0.07 8.23 0.52 -0.58 -1.33 118.95 127.48 1bnr s ARG 87 Ca 0.07 -0.63 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 1bnr s ARG 87 Cb -0.12 0.43 -0.03 0.00 0.52 0.00 0.00 34.95 35.74 1bnr s ARG 87 CO 0.01 -0.36 -0.23 -1.50 0.02 0.00 0.00 175.30 173.24 1bnr s ILE 88 N -3.37 2.44 -0.25 1.52 2.07 -0.48 -1.16 121.20 121.96 1bnr s ILE 88 Ca 0.00 -1.41 0.01 0.00 -1.41 0.00 0.00 60.65 57.84 1bnr s ILE 88 Cb 0.01 -2.02 0.04 0.00 0.13 0.00 0.00 42.46 40.62 1bnr s ILE 88 CO -0.09 0.27 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.36 1bnr s LEU 89 N -1.56 3.21 -0.08 8.50 2.01 -0.50 -0.61 118.68 129.64 1bnr s LEU 89 Ca 0.14 -1.11 -0.02 0.00 0.01 0.00 0.00 54.13 53.15 1bnr s LEU 89 Cb -0.10 -1.59 -0.03 0.00 0.01 0.00 0.00 46.19 44.47 1bnr s LEU 89 CO 0.05 -0.15 0.02 -0.72 1.01 0.00 0.00 176.35 176.56 1bnr s TYR 90 N 1.22 3.22 0.49 0.29 1.13 0.60 -1.45 117.35 122.85 1bnr s TYR 90 Ca -0.04 0.23 0.07 0.00 -1.41 0.00 0.00 57.07 55.93 1bnr s TYR 90 Cb -0.18 -1.80 0.02 0.00 -1.10 0.00 0.00 41.96 38.90 1bnr s TYR 90 CO -0.06 0.51 0.44 0.45 -2.51 0.00 0.00 175.55 174.38 1bnr s SER 91 N -0.96 4.85 0.54 -0.18 0.15 -0.01 -0.12 113.70 117.97 1bnr s SER 91 Ca 0.14 -0.99 0.30 0.00 0.70 0.00 0.00 55.95 56.10 1bnr s SER 91 Cb -0.11 -0.01 1.54 0.00 -1.71 0.00 0.00 66.02 65.72 1bnr s SER 91 CO 0.03 -0.94 2.08 0.77 1.20 0.00 0.00 173.24 176.38 1bnr h SER 92 N 0.80 0.00 -0.31 5.45 4.64 -1.91 -0.61 113.55 121.61 1bnr h SER 92 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 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 0.55 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1bnr n ASP 93 N -3.46 2.83 -1.34 4.97 5.68 -1.26 -4.85 116.55 119.12 1bnr n ASP 93 Ca -0.01 -2.30 -0.13 0.00 -0.50 0.00 0.00 54.79 51.85 1bnr n ASP 93 Cb 0.24 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 39.73 1bnr n ASP 93 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bnr n TRP 94 N 0.39 -0.46 -2.79 2.11 5.03 -0.24 -4.96 117.44 116.51 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 0.57 -2.69 -0.04 0.00 -1.03 0.00 0.00 31.31 28.12 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 -3.47 3.99 -0.35 -0.99 1.43 -1.25 -4.77 118.68 113.27 1bnr s LEU 95 Ca 0.00 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1bnr s LEU 95 Cb 0.00 -3.29 0.06 0.00 0.03 0.00 0.00 46.19 42.99 1bnr s LEU 95 CO 0.00 -0.84 0.11 -0.63 0.23 0.00 0.00 176.35 175.23 1bnr s ILE 96 N 3.45 3.54 -0.27 -0.59 1.01 -0.41 -0.83 121.20 127.10 1bnr s ILE 96 Ca 0.39 -1.39 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1bnr s ILE 96 Cb -0.12 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1bnr s ILE 96 CO 0.18 -0.29 0.08 -0.31 0.00 0.00 0.00 174.94 174.60 1bnr s TYR 97 N 1.32 3.11 0.17 3.97 1.51 -0.53 -1.63 117.35 125.28 1bnr s TYR 97 Ca -0.00 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.26 1bnr s TYR 97 Cb -0.21 -2.25 -0.07 0.00 -0.11 0.00 0.00 41.96 39.32 1bnr s TYR 97 CO 0.00 -0.45 0.59 -1.59 -1.11 0.00 0.00 175.55 172.99 1bnr s LYS 98 N 1.57 4.03 -0.09 -0.62 -2.85 -0.39 -1.41 119.74 119.97 1bnr s LYS 98 Ca 0.05 0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1bnr s LYS 98 Cb -0.16 -2.89 0.02 0.00 -2.06 0.00 0.00 37.83 32.74 1bnr s LYS 98 CO 0.03 0.44 -0.07 -0.08 0.10 0.00 0.00 175.35 175.77 1bnr s THR 99 N -1.51 0.93 -0.33 3.79 -1.32 -0.31 -1.22 115.64 115.67 1bnr s THR 99 Ca 0.40 -0.26 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 1bnr s THR 99 Cb -0.15 -0.94 0.53 0.00 -1.51 0.00 0.00 72.50 70.42 1bnr s THR 99 CO 0.20 0.34 1.54 0.41 -2.21 0.00 0.00 174.62 174.90 1bnr n THR 100 N 4.69 2.69 -2.05 5.08 -1.04 -1.26 -1.52 114.28 120.86 1bnr n THR 100 Ca -0.15 -2.71 -0.00 0.00 -2.04 0.00 0.00 64.05 59.15 1bnr n THR 100 Cb 0.50 -0.40 -0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1bnr n THR 100 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bnr n ASP 101 N -1.11 -0.00 -1.59 8.00 5.68 -1.21 -4.78 116.55 121.53 1bnr n ASP 101 Ca 0.39 -1.59 -0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1bnr n ASP 101 Cb 1.12 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.02 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 0.05 -0.20 -1.96 2.11 -0.00 0.67 -3.73 115.22 112.16 1bnr n HIS 102 Ca -0.02 0.08 -0.04 0.00 0.46 0.00 0.00 57.72 58.20 1bnr n HIS 102 Cb 0.66 -1.67 -0.01 0.00 -0.12 0.00 0.00 29.99 28.85 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 -0.84 -1.43 0.20 1.57 4.01 -1.26 -4.68 117.16 114.73 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 0.32 -1.53 -0.10 0.00 -0.31 0.00 0.00 39.34 37.72 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 -2.09 0.53 -3.85 -0.72 3.00 -1.24 -4.92 117.38 108.08 1bnr n GLN 104 Ca -0.04 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 1bnr n GLN 104 Cb 0.38 -1.59 -0.12 0.00 0.00 0.00 0.00 30.24 28.91 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1bnr s THR 105 N -3.39 0.03 -0.07 5.09 2.01 -1.26 -5.00 115.64 113.04 1bnr s THR 105 Ca -0.03 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 1bnr s THR 105 Cb 0.13 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.44 1bnr s THR 105 CO 0.86 -0.12 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.28 1bnr s PHE 106 N -0.37 0.89 -0.11 4.92 0.08 -1.25 -3.69 117.98 118.46 1bnr s PHE 106 Ca -0.04 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.71 1bnr s PHE 106 Cb -0.03 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1bnr s PHE 106 CO 0.00 -0.31 -0.14 0.99 -0.10 0.00 0.00 175.22 175.66 1bnr s THR 107 N 1.50 3.04 -0.49 0.64 2.01 -0.36 -4.83 115.64 117.15 1bnr s THR 107 Ca -0.01 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 1bnr s THR 107 Cb -0.13 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1bnr s THR 107 CO -0.04 0.54 1.18 -0.75 -0.69 0.00 0.00 174.62 174.86 1bnr s LYS 108 N 0.08 3.67 -0.55 4.92 2.20 -1.26 -1.26 119.74 127.54 1bnr s LYS 108 Ca -0.06 0.55 0.07 0.00 -0.36 0.00 0.00 55.97 56.17 1bnr s LYS 108 Cb -0.15 -3.94 0.29 0.00 -1.51 0.00 0.00 37.83 32.52 1bnr s LYS 108 CO 0.04 -1.46 0.77 0.44 -0.36 0.00 0.00 175.35 174.79 1bnr n ILE 109 N 6.85 1.83 -0.60 5.43 -5.35 -0.64 -5.02 119.36 121.86 1bnr n ILE 109 Ca 0.12 -5.08 0.00 0.00 -0.27 0.00 0.00 62.75 57.52 1bnr n ILE 109 Cb 0.49 -1.65 0.00 0.00 -1.74 0.00 0.00 39.64 36.74 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33