#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 3.53 0.25 0.00 -0.21 -1.26 -5.05 119.66 116.93 1bnr s GLN 2 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 54.89 1bnr s GLN 2 Cb 0.00 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1bnr s GLN 2 CO 0.00 -0.50 0.15 0.08 -2.12 0.00 0.00 175.29 172.90 1bnr s VAL 3 N 1.92 0.19 -0.79 1.09 1.01 -1.26 -5.10 120.40 117.46 1bnr s VAL 3 Ca 0.10 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.02 1bnr s VAL 3 Cb -0.17 -2.53 0.20 0.00 0.00 0.00 0.00 36.38 33.88 1bnr s VAL 3 CO 0.11 0.00 0.67 -0.63 0.00 0.00 0.00 175.10 175.25 1bnr s ILE 4 N -3.86 4.56 -0.37 2.22 1.09 -1.26 -4.87 121.20 118.71 1bnr s ILE 4 Ca 0.38 -3.10 0.13 0.00 -1.10 0.00 0.00 60.65 56.96 1bnr s ILE 4 Cb 0.06 -3.86 0.36 0.00 -1.06 0.00 0.00 42.46 37.96 1bnr s ILE 4 CO 0.16 -1.00 0.77 -0.46 -0.10 0.00 0.00 174.94 174.31 1bnr n ASN 5 N 3.25 0.82 -0.73 3.58 6.94 -1.26 -4.50 115.26 123.37 1bnr n ASN 5 Ca 0.14 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 1bnr n ASN 5 Cb 0.40 -0.54 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 0.23 0.00 0.03 5.53 -2.24 -1.26 -1.40 114.28 115.17 1bnr n THR 6 Ca 0.22 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.98 1bnr n THR 6 Cb 0.68 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.73 -0.16 -0.10 4.78 0.04 -1.97 -2.06 116.94 118.19 1bnr h PHE 7 Ca 0.00 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 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 -0.57 -0.44 -0.60 0.00 0.00 178.31 176.60 1bnr h ASP 8 N -0.90 0.34 0.31 2.17 5.19 -1.98 -0.73 116.42 120.82 1bnr h ASP 8 Ca -0.02 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 1bnr h ASP 8 Cb 0.14 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1bnr h ASP 8 CO 0.03 0.84 -0.15 1.23 -3.12 0.00 0.00 179.24 178.07 1bnr h GLY 9 N 1.35 -0.44 1.05 2.75 0.00 -1.96 -0.23 103.07 105.58 1bnr h GLY 9 Ca -0.00 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1bnr h GLY 9 CO 0.09 -0.16 0.34 -2.08 0.00 0.00 0.00 176.54 174.73 1bnr h VAL 10 N -0.81 1.26 -0.61 4.60 2.07 -1.42 -1.13 116.25 120.21 1bnr h VAL 10 Ca -0.04 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1bnr h VAL 10 Cb 0.52 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1bnr h VAL 10 CO 0.07 0.33 0.41 0.00 0.02 0.00 0.00 177.57 178.40 1bnr h ALA 11 N 1.18 1.61 0.48 1.67 0.00 -1.09 0.28 119.26 123.39 1bnr h ALA 11 Ca 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1bnr h ALA 11 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bnr h ALA 11 CO -0.03 0.34 -0.23 -0.44 0.00 0.00 0.00 179.25 178.90 1bnr h ASP 12 N 0.78 -0.54 -0.32 0.00 5.19 0.14 -1.49 116.42 120.17 1bnr h ASP 12 Ca 0.23 -0.08 0.09 0.00 -0.62 0.00 0.00 57.03 56.66 1bnr h ASP 12 Cb -0.02 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1bnr h ASP 12 CO -0.06 -0.19 0.34 0.22 -3.12 0.00 0.00 179.24 176.44 1bnr h TYR 13 N -0.95 0.00 0.52 4.55 5.03 -0.89 0.36 116.97 125.58 1bnr h TYR 13 Ca -0.07 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.22 1bnr h TYR 13 Cb 0.59 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.88 1bnr h TYR 13 CO 0.01 0.00 -0.25 -0.07 -1.32 0.00 0.00 178.16 176.53 1bnr h LEU 14 N 0.00 -0.59 0.00 2.82 3.38 -0.43 -0.83 115.31 119.66 1bnr h LEU 14 Ca 0.15 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1bnr h LEU 14 Cb 0.84 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1bnr h LEU 14 CO -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.34 1bnr n GLN 15 N -5.15 0.25 0.00 1.13 6.02 -0.61 0.45 117.38 119.48 1bnr n GLN 15 Ca -0.09 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1bnr n GLN 15 Cb 0.27 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bnr n THR 16 N -1.27 0.00 1.27 5.09 -1.04 0.12 -4.54 114.28 113.91 1bnr n THR 16 Ca 0.08 0.45 0.13 0.00 -2.04 0.00 0.00 64.05 62.68 1bnr n THR 16 Cb 0.13 -1.41 0.40 0.00 -1.82 0.00 0.00 70.33 67.63 1bnr n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bnr n TYR 17 N -2.16 0.00 -3.40 -1.42 4.02 -0.33 -4.96 117.16 108.91 1bnr n TYR 17 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 1bnr n TYR 17 Cb 0.00 -0.12 0.06 0.00 -0.02 0.00 0.00 39.34 39.26 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 -0.64 -2.26 0.00 -0.72 8.25 0.17 -4.97 115.22 115.05 1bnr n HIS 18 Ca 0.13 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 1bnr n HIS 18 Cb 0.34 -4.20 0.00 0.00 1.12 0.00 0.00 29.99 27.25 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 -1.36 -0.41 2.85 -1.24 -5.05 118.16 109.29 1bnr n LYS 19 Ca -0.14 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.71 1bnr n LYS 19 Cb 0.63 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.02 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 -1.61 -4.38 -5.58 4.77 -1.26 -4.65 117.00 104.29 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 -0.99 0.15 0.00 -2.33 0.00 0.00 43.42 40.25 1bnr n LEU 20 CO 0.00 -3.72 -0.17 -2.65 -1.33 0.00 0.00 177.39 169.53 1bnr n PRO 21 N 0.95 -0.93 0.00 3.23 -0.02 -1.26 -4.82 135.00 132.15 1bnr n PRO 21 Ca 0.11 -0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1bnr n PRO 21 Cb 0.42 -1.85 0.45 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.88 0.00 -1.10 2.55 2.03 -1.26 -2.03 116.55 114.87 1bnr n ASP 22 Ca 0.05 -0.04 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1bnr n ASP 22 Cb 0.57 -0.25 0.25 0.00 -0.72 0.00 0.00 41.12 40.97 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1bnr n ASN 23 N -1.25 3.18 -4.23 1.67 6.94 -1.26 -4.72 115.26 115.60 1bnr n ASN 23 Ca 0.09 -2.08 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 1bnr n ASN 23 Cb 0.13 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 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 -1.37 3.54 -0.20 -2.53 2.02 -0.86 0.16 117.35 118.12 1bnr s TYR 24 Ca 0.38 -2.16 -0.08 0.00 -0.37 0.00 0.00 57.07 54.85 1bnr s TYR 24 Cb 0.21 -3.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.18 1bnr s TYR 24 CO 0.24 -0.94 0.07 0.96 -1.57 0.00 0.00 175.55 174.30 1bnr s ILE 25 N 0.43 4.72 0.96 2.71 -5.25 0.23 -4.52 121.20 120.49 1bnr s ILE 25 Ca 0.14 -0.05 -0.12 0.00 -0.99 0.00 0.00 60.65 59.63 1bnr s ILE 25 Cb -0.18 -3.15 0.16 0.00 2.95 0.00 0.00 42.46 42.24 1bnr s ILE 25 CO -0.05 0.43 0.31 0.35 -1.79 0.00 0.00 174.94 174.19 1bnr n THR 26 N 3.84 0.00 -0.03 8.37 -2.24 -1.21 -3.63 114.28 119.38 1bnr n THR 26 Ca -0.16 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1bnr n THR 26 Cb 0.52 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.65 0.15 -0.90 -0.78 6.56 -1.91 -2.90 116.57 114.13 1bnr h LYS 27 Ca -0.21 -0.09 0.16 0.00 -1.06 0.00 0.00 60.65 59.45 1bnr h LYS 27 Cb 0.69 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.28 1bnr h LYS 27 CO 0.13 0.63 0.58 1.03 -2.06 0.00 0.00 179.45 179.76 1bnr h SER 28 N -0.32 0.62 -1.01 0.86 0.87 -1.99 0.33 113.55 112.91 1bnr h SER 28 Ca 0.01 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1bnr h SER 28 Cb 0.61 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 1bnr h SER 28 CO 0.02 0.30 0.67 -0.33 -0.53 0.00 0.00 176.83 176.95 1bnr h GLU 29 N 0.65 1.32 -0.10 2.24 5.08 -1.82 -0.05 114.58 121.90 1bnr h GLU 29 Ca 0.46 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1bnr h GLU 29 Cb 0.81 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1bnr h GLU 29 CO -0.22 0.87 -0.46 0.00 -1.00 0.00 0.00 179.01 178.21 1bnr h ALA 30 N 1.38 1.04 -0.04 3.43 0.00 -0.22 -2.21 119.26 122.63 1bnr h ALA 30 Ca 0.37 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1bnr h ALA 30 Cb -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1bnr h ALA 30 CO -0.08 0.62 -0.27 1.96 0.00 0.00 0.00 179.25 181.48 1bnr h GLN 31 N 0.20 0.08 -0.39 0.00 4.20 0.40 -1.81 115.11 117.79 1bnr h GLN 31 Ca 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1bnr h GLN 31 Cb 0.89 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1bnr h GLN 31 CO 0.07 0.34 0.13 0.00 -0.67 0.00 0.00 178.83 178.71 1bnr h ALA 32 N 1.66 1.51 0.00 3.87 0.00 -0.43 -0.49 119.26 125.38 1bnr h ALA 32 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bnr h ALA 32 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bnr h ALA 32 CO 0.04 0.37 -0.05 1.28 0.00 0.00 0.00 179.25 180.89 1bnr n LEU 33 N -4.36 0.25 0.00 0.00 4.32 -0.73 -4.89 117.00 111.58 1bnr n LEU 33 Ca 0.02 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1bnr n LEU 33 Cb 0.16 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1bnr n LEU 33 CO 0.37 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1bnr n GLY 34 N 1.45 0.69 3.57 -0.72 0.00 -0.19 -4.90 105.19 105.09 1bnr n GLY 34 Ca 0.06 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.96 3.03 -0.12 1.61 -0.00 -0.89 -4.77 118.94 116.83 1bnr s TRP 35 Ca 0.00 -0.06 -0.20 0.00 -0.00 0.00 0.00 56.10 55.84 1bnr s TRP 35 Cb 0.00 -1.83 -0.04 0.00 -0.00 0.00 0.00 33.47 31.60 1bnr s TRP 35 CO 0.00 0.22 0.58 0.08 -0.00 0.00 0.00 176.95 177.83 1bnr s VAL 36 N -0.36 5.11 -0.82 5.86 1.01 -1.26 -4.49 120.40 125.45 1bnr s VAL 36 Ca 0.06 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.24 1bnr s VAL 36 Cb -0.12 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1bnr s VAL 36 CO 0.02 0.25 1.18 0.00 0.00 0.00 0.00 175.10 176.55 1bnr n ALA 37 N 4.06 1.06 -0.07 5.51 0.00 -1.26 -2.47 120.51 127.34 1bnr n ALA 37 Ca -0.04 0.04 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1bnr n ALA 37 Cb 0.51 -1.09 0.58 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.07 0.00 0.02 -2.01 -3.43 113.55 107.05 1bnr h SER 38 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1bnr h SER 38 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1bnr h SER 38 CO 0.00 0.00 -0.19 0.29 -1.14 0.00 0.00 176.83 175.79 1bnr n LYS 39 N -3.43 -0.60 0.00 3.45 5.02 -1.03 -4.90 118.16 116.67 1bnr n LYS 39 Ca 0.16 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1bnr n LYS 39 Cb 1.13 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.85 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 -1.01 0.55 1.88 0.72 0.00 -1.26 -2.48 105.19 103.58 1bnr n GLY 40 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.28 -1.07 0.22 1.61 6.94 -1.26 -4.81 115.26 116.61 1bnr n ASN 41 Ca 0.00 -2.11 -0.09 0.00 -0.02 0.00 0.00 54.58 52.37 1bnr n ASN 41 Cb 0.33 0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 38.15 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 0.60 -0.49 -0.13 -4.53 5.85 -1.86 -2.77 115.31 111.99 1bnr h LEU 42 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1bnr h LEU 42 Cb 1.37 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1bnr h LEU 42 CO -0.21 -0.24 0.03 0.00 -0.34 0.00 0.00 178.44 177.68 1bnr n ALA 43 N -2.46 0.95 0.10 1.25 0.00 -1.26 -1.27 120.51 117.82 1bnr n ALA 43 Ca -0.07 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1bnr n ALA 43 Cb 0.23 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 1bnr n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bnr h ASP 44 N 0.00 0.46 0.00 0.00 5.19 -1.87 -3.15 116.42 117.05 1bnr h ASP 44 Ca 0.00 -0.45 -0.43 0.00 -0.62 0.00 0.00 57.03 55.54 1bnr h ASP 44 Cb 0.06 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.36 1bnr h ASP 44 CO 0.00 1.32 -2.37 1.33 -3.12 0.00 0.00 179.24 176.39 1bnr n VAL 45 N -3.60 1.53 -3.69 -1.35 0.24 -0.46 -4.71 118.33 106.29 1bnr n VAL 45 Ca -0.08 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 1bnr n VAL 45 Cb 0.97 -1.82 -0.09 0.00 -1.47 0.00 0.00 33.84 31.42 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 -3.96 3.74 -1.19 2.33 0.00 -0.39 -5.00 120.51 116.04 1bnr n ALA 46 Ca -0.50 -4.62 -0.34 0.00 0.00 0.00 0.00 53.44 47.98 1bnr n ALA 46 Cb 0.89 -1.17 0.12 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.78 1.75 -0.98 0.00 0.04 -1.19 -3.74 135.00 129.10 1bnr s PRO 47 Ca 0.30 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 1bnr s PRO 47 Cb 0.01 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1bnr s PRO 47 CO -0.11 -2.14 0.78 0.41 0.04 0.00 0.00 177.00 175.98 1bnr n GLY 48 N 0.53 -1.14 3.04 0.56 0.00 -1.26 -5.01 105.19 101.92 1bnr n GLY 48 Ca 0.14 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.59 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 -4.73 0.48 -0.07 1.61 3.01 -1.25 -4.99 119.74 113.80 1bnr s LYS 49 Ca 0.29 -0.90 -0.00 0.00 -1.01 0.00 0.00 55.97 54.35 1bnr s LYS 49 Cb -0.08 0.17 0.02 0.00 -1.01 0.00 0.00 37.83 36.93 1bnr s LYS 49 CO 0.81 -0.09 -0.03 -1.12 0.51 0.00 0.00 175.35 175.43 1bnr s SER 50 N -2.19 1.48 -0.59 2.83 0.01 0.12 -4.98 113.70 110.39 1bnr s SER 50 Ca -0.04 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 1bnr s SER 50 Cb -0.01 -0.52 0.03 0.00 0.21 0.00 0.00 66.02 65.73 1bnr s SER 50 CO -0.05 -0.13 1.16 -0.63 0.41 0.00 0.00 173.24 173.99 1bnr s ILE 51 N 1.53 4.05 0.28 1.44 -1.09 -1.25 0.76 121.20 126.93 1bnr s ILE 51 Ca -0.01 0.74 -0.10 0.00 -2.23 0.00 0.00 60.65 59.06 1bnr s ILE 51 Cb -0.13 -4.71 -0.00 0.00 -1.58 0.00 0.00 42.46 36.03 1bnr s ILE 51 CO -0.04 -1.35 0.48 -0.83 -1.23 0.00 0.00 174.94 171.97 1bnr s GLY 52 N 3.02 0.83 0.00 6.18 0.00 -1.24 0.14 107.32 116.25 1bnr s GLY 52 Ca 0.40 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1bnr s GLY 52 CO 0.23 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 173.19 1bnr n GLY 53 N -0.43 0.77 3.79 0.20 0.00 -0.21 -3.35 105.19 105.96 1bnr n GLY 53 Ca -0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.03 7.23 0.24 1.61 1.01 -1.08 -4.87 116.67 118.78 1bnr s ASP 54 Ca 0.00 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 54.58 1bnr s ASP 54 Cb 0.00 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 1bnr s ASP 54 CO 0.00 0.04 1.28 -0.63 0.21 0.00 0.00 175.17 176.07 1bnr s ILE 55 N -1.47 3.14 -0.63 0.77 -1.09 -1.26 -1.59 121.20 119.07 1bnr s ILE 55 Ca 0.44 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 59.82 1bnr s ILE 55 Cb -0.19 -3.63 0.16 0.00 -1.58 0.00 0.00 42.46 37.22 1bnr s ILE 55 CO 0.23 0.18 0.45 0.12 -1.23 0.00 0.00 174.94 174.69 1bnr s PHE 56 N -0.30 3.45 -1.52 3.97 5.36 -0.58 -4.81 117.98 123.56 1bnr s PHE 56 Ca 0.54 -2.63 0.15 0.00 -0.96 0.00 0.00 56.93 54.03 1bnr s PHE 56 Cb -0.37 -3.26 0.80 0.00 -0.34 0.00 0.00 43.02 39.86 1bnr s PHE 56 CO 0.42 -0.86 1.42 0.45 -1.46 0.00 0.00 175.22 175.18 1bnr n SER 57 N 3.61 0.00 -1.73 6.13 2.88 -1.26 -2.74 113.62 120.51 1bnr n SER 57 Ca 0.07 -0.02 -0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1bnr n SER 57 Cb 0.39 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.24 -2.86 -0.32 -3.46 2.85 -1.26 -4.92 115.26 104.05 1bnr n ASN 58 Ca 0.08 -0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.62 1bnr n ASN 58 Cb 0.11 -1.64 0.23 0.00 1.24 0.00 0.00 39.78 39.73 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 0.08 0.74 0.00 1.20 2.43 -1.94 -3.25 114.38 113.64 1bnr h ARG 59 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bnr h ARG 59 Cb 0.94 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1bnr h ARG 59 CO 0.04 0.49 -0.22 1.49 -1.51 0.00 0.00 179.97 180.27 1bnr h GLU 60 N 0.76 0.00 0.00 0.20 4.81 -1.91 -3.50 114.58 114.94 1bnr h GLU 60 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1bnr h GLU 60 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1bnr h GLU 60 CO -0.32 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.37 1bnr n GLY 61 N 1.70 0.86 0.35 1.92 0.00 -1.23 -5.04 105.19 103.75 1bnr n GLY 61 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1bnr n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnr n LYS 62 N 0.00 1.21 -3.64 1.61 5.02 -1.26 -4.98 118.16 116.12 1bnr n LYS 62 Ca 0.00 -0.92 -0.34 0.00 -2.02 0.00 0.00 58.31 55.03 1bnr n LYS 62 Cb 0.00 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.25 4.32 -0.98 -0.35 1.43 -1.26 -4.84 118.68 115.76 1bnr s LEU 63 Ca 0.11 0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 1bnr s LEU 63 Cb 0.09 -3.04 -0.17 0.00 0.03 0.00 0.00 46.19 43.10 1bnr s LEU 63 CO 0.19 0.14 2.18 -2.16 0.23 0.00 0.00 176.35 176.94 1bnr s PRO 64 N -2.13 1.58 0.00 1.29 0.04 -1.26 -4.89 135.00 129.62 1bnr s PRO 64 Ca 0.35 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1bnr s PRO 64 Cb -0.13 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1bnr s PRO 64 CO 0.20 -4.81 0.00 0.41 0.04 0.00 0.00 177.00 172.84 1bnr n GLY 65 N 6.41 1.53 0.00 0.56 0.00 -1.26 -5.13 105.19 107.30 1bnr n GLY 65 Ca 0.44 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1bnr n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnr n LYS 66 N -0.50 0.00 -2.07 1.61 4.76 -1.26 -5.02 118.16 115.68 1bnr n LYS 66 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 1bnr n LYS 66 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1bnr n LYS 66 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1bnr s SER 67 N 0.05 5.44 -0.55 4.39 0.01 -1.26 -3.26 113.70 118.52 1bnr s SER 67 Ca 0.00 0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.71 1bnr s SER 67 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1bnr s SER 67 CO 0.00 -2.22 0.47 0.61 0.41 0.00 0.00 173.24 172.52 1bnr n GLY 68 N 5.62 -0.06 3.72 3.44 0.00 -1.26 -5.04 105.19 111.61 1bnr n GLY 68 Ca 0.20 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.09 2.64 -0.07 1.61 3.52 -1.20 -5.12 118.95 116.24 1bnr s ARG 69 Ca 0.14 -0.90 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1bnr s ARG 69 Cb -0.02 -2.54 -0.00 0.00 -1.56 0.00 0.00 34.95 30.83 1bnr s ARG 69 CO 0.37 0.51 -0.22 0.99 -0.81 0.00 0.00 175.30 176.13 1bnr s THR 70 N -1.54 1.85 0.47 4.11 2.01 -1.26 -4.85 115.64 116.42 1bnr s THR 70 Ca 0.28 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1bnr s THR 70 Cb -0.11 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1bnr s THR 70 CO 0.20 0.52 0.56 0.26 -0.69 0.00 0.00 174.62 175.47 1bnr s TRP 71 N 0.07 2.34 -0.05 4.92 0.52 -1.11 -4.36 118.94 121.27 1bnr s TRP 71 Ca -0.08 -0.54 0.03 0.00 0.02 0.00 0.00 56.10 55.52 1bnr s TRP 71 Cb -0.15 -2.24 0.00 0.00 -1.15 0.00 0.00 33.47 29.94 1bnr s TRP 71 CO 0.05 -0.53 -0.14 1.03 0.02 0.00 0.00 176.95 177.38 1bnr s ARG 72 N -4.36 1.68 0.07 4.98 0.52 0.86 -1.53 118.95 121.17 1bnr s ARG 72 Ca 0.53 -0.49 0.08 0.00 -0.52 0.00 0.00 55.73 55.33 1bnr s ARG 72 Cb -0.06 -1.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.94 1bnr s ARG 72 CO 0.32 0.13 -0.19 -1.83 0.02 0.00 0.00 175.30 173.75 1bnr s GLU 73 N 0.34 1.94 0.03 3.54 -1.05 -0.62 0.53 118.70 123.40 1bnr s GLU 73 Ca -0.09 -1.07 0.02 0.00 -0.15 0.00 0.00 54.97 53.68 1bnr s GLU 73 Cb -0.13 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.40 1bnr s GLU 73 CO 0.03 0.52 -0.06 0.00 0.95 0.00 0.00 175.26 176.69 1bnr s ALA 74 N -0.99 0.43 -0.07 -0.84 0.00 -0.04 -1.04 121.76 119.19 1bnr s ALA 74 Ca 0.15 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1bnr s ALA 74 Cb -0.10 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1bnr s ALA 74 CO 0.07 -0.03 1.36 -0.51 0.00 0.00 0.00 175.76 176.64 1bnr s ASP 75 N -1.26 6.89 -0.08 0.00 1.11 0.12 -1.01 116.67 122.43 1bnr s ASP 75 Ca -0.09 1.94 0.00 0.00 0.18 0.00 0.00 52.55 54.58 1bnr s ASP 75 Cb -0.08 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1bnr s ASP 75 CO -0.00 -0.74 -0.07 -0.63 1.18 0.00 0.00 175.17 174.91 1bnr s ILE 76 N 3.00 3.65 0.12 0.77 -1.09 -0.57 -4.78 121.20 122.30 1bnr s ILE 76 Ca 0.61 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1bnr s ILE 76 Cb -0.27 -2.51 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 1bnr s ILE 76 CO 0.22 0.58 0.00 0.59 -1.23 0.00 0.00 174.94 175.10 1bnr n ASN 77 N 2.52 -5.43 -3.16 3.58 4.13 -0.50 -4.49 115.26 111.92 1bnr n ASN 77 Ca -0.18 0.66 0.05 0.00 1.68 0.00 0.00 54.58 56.79 1bnr n ASN 77 Cb 0.53 -2.73 -0.02 0.00 -1.54 0.00 0.00 39.78 36.02 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 -0.54 -0.79 0.00 3.10 6.14 -1.26 -4.81 117.35 119.19 1bnr s TYR 78 Ca 0.00 0.86 0.00 0.00 0.64 0.00 0.00 57.07 58.57 1bnr s TYR 78 Cb 0.00 0.28 0.00 0.00 0.42 0.00 0.00 41.96 42.66 1bnr s TYR 78 CO 0.00 -0.43 0.00 0.25 0.64 0.00 0.00 175.55 176.01 1bnr n THR 79 N 5.45 0.00 -3.58 4.34 -2.24 -1.26 -5.03 114.28 111.96 1bnr n THR 79 Ca -0.06 0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1bnr n THR 79 Cb 0.53 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.24 -0.41 0.00 3.42 1.04 -1.26 -4.97 113.70 111.28 1bnr s SER 80 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1bnr s SER 80 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1bnr s SER 80 CO 0.00 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1bnr n GLY 81 N 0.35 -1.17 3.75 7.32 0.00 -1.26 -4.99 105.19 109.18 1bnr n GLY 81 Ca -0.18 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 1bnr n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bnr s PHE 82 N 0.00 2.35 0.89 1.61 0.40 -1.26 -4.69 117.98 117.27 1bnr s PHE 82 Ca 0.00 1.59 -0.12 0.00 -0.60 0.00 0.00 56.93 57.80 1bnr s PHE 82 Cb 0.00 -3.27 0.19 0.00 0.51 0.00 0.00 43.02 40.45 1bnr s PHE 82 CO 0.00 -2.09 0.42 0.54 0.70 0.00 0.00 175.22 174.79 1bnr n ARG 83 N -2.81 -1.78 -1.60 0.44 1.74 -1.04 -5.01 116.66 106.62 1bnr n ARG 83 Ca 0.11 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 1bnr n ARG 83 Cb 0.52 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.14 1.95 -0.20 0.55 0.23 -1.26 -5.06 115.26 109.32 1bnr n ASN 84 Ca 0.07 -0.80 0.05 0.00 -0.53 0.00 0.00 54.58 53.37 1bnr n ASN 84 Cb 0.29 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.07 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bnr n SER 85 N -0.84 1.43 -4.60 0.53 3.41 -1.26 -5.03 113.62 107.27 1bnr n SER 85 Ca 0.00 -2.54 -0.34 0.00 -0.26 0.00 0.00 58.87 55.73 1bnr n SER 85 Cb 0.00 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnr s ASP 86 N -1.96 5.41 -0.09 4.04 1.11 -1.26 0.23 116.67 124.15 1bnr s ASP 86 Ca 0.17 0.02 -0.09 0.00 0.18 0.00 0.00 52.55 52.84 1bnr s ASP 86 Cb 0.15 -1.92 0.02 0.00 1.07 0.00 0.00 42.92 42.25 1bnr s ASP 86 CO 0.02 0.17 0.25 -0.13 1.18 0.00 0.00 175.17 176.65 1bnr s ARG 87 N 0.39 0.32 -0.14 8.23 1.81 -0.42 -1.52 118.95 127.62 1bnr s ARG 87 Ca 0.01 0.30 -0.17 0.00 -1.72 0.00 0.00 55.73 54.15 1bnr s ARG 87 Cb -0.13 0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 1bnr s ARG 87 CO 0.01 -0.04 0.42 -1.50 -0.68 0.00 0.00 175.30 173.50 1bnr s ILE 88 N 0.01 5.22 -0.71 1.52 2.07 -0.18 -1.40 121.20 127.73 1bnr s ILE 88 Ca -0.01 0.81 -0.14 0.00 -1.41 0.00 0.00 60.65 59.90 1bnr s ILE 88 Cb -0.02 -3.76 0.18 0.00 0.13 0.00 0.00 42.46 39.00 1bnr s ILE 88 CO 0.01 0.33 0.64 -0.76 -1.91 0.00 0.00 174.94 173.25 1bnr s LEU 89 N 0.71 6.44 0.03 8.50 2.01 0.31 -0.86 118.68 135.82 1bnr s LEU 89 Ca 0.22 -2.38 -0.17 0.00 0.01 0.00 0.00 54.13 51.81 1bnr s LEU 89 Cb -0.14 -2.18 -0.06 0.00 0.01 0.00 0.00 46.19 43.82 1bnr s LEU 89 CO 0.08 -0.66 0.48 -0.72 1.01 0.00 0.00 176.35 176.55 1bnr s TYR 90 N 0.65 3.76 0.42 0.29 1.13 0.19 -1.31 117.35 122.48 1bnr s TYR 90 Ca 0.13 1.12 0.08 0.00 -1.41 0.00 0.00 57.07 56.98 1bnr s TYR 90 Cb -0.18 -2.38 -0.01 0.00 -1.10 0.00 0.00 41.96 38.29 1bnr s TYR 90 CO -0.04 0.61 0.42 0.45 -2.51 0.00 0.00 175.55 174.48 1bnr s SER 91 N -1.07 5.16 0.57 -0.18 0.15 0.20 -0.10 113.70 118.43 1bnr s SER 91 Ca 0.26 -0.70 0.33 0.00 0.70 0.00 0.00 55.95 56.55 1bnr s SER 91 Cb -0.18 -0.55 1.69 0.00 -1.71 0.00 0.00 66.02 65.27 1bnr s SER 91 CO 0.16 -0.70 2.13 0.77 1.20 0.00 0.00 173.24 176.80 1bnr h SER 92 N 0.93 0.00 -0.29 5.45 4.64 -1.91 -0.16 113.55 122.20 1bnr h SER 92 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 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 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1bnr n ASP 93 N -3.36 3.18 -1.15 4.97 5.75 -1.26 -4.83 116.55 119.85 1bnr n ASP 93 Ca -0.02 -2.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.25 1bnr n ASP 93 Cb 0.21 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.34 -0.35 -2.65 2.11 5.03 -0.07 -4.93 117.44 116.92 1bnr n TRP 94 Ca 0.14 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.25 1bnr n TRP 94 Cb 0.67 -2.44 -0.03 0.00 -1.03 0.00 0.00 31.31 28.48 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 -3.02 3.78 -0.40 -0.99 1.43 -1.23 -4.75 118.68 113.50 1bnr s LEU 95 Ca 0.00 -1.34 -0.21 0.00 -1.03 0.00 0.00 54.13 51.55 1bnr s LEU 95 Cb 0.00 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1bnr s LEU 95 CO 0.00 -1.49 0.67 -0.63 0.23 0.00 0.00 176.35 175.13 1bnr s ILE 96 N 4.64 4.82 0.37 -0.59 1.01 -1.25 -0.62 121.20 129.58 1bnr s ILE 96 Ca 0.40 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.55 1bnr s ILE 96 Cb -0.04 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1bnr s ILE 96 CO -0.04 -0.48 0.12 -0.31 0.00 0.00 0.00 174.94 174.23 1bnr s TYR 97 N 2.85 2.61 -0.03 3.97 1.51 -0.43 -1.66 117.35 126.18 1bnr s TYR 97 Ca 0.25 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1bnr s TYR 97 Cb -0.14 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1bnr s TYR 97 CO 0.17 0.32 -0.01 -1.59 -1.11 0.00 0.00 175.55 173.34 1bnr s LYS 98 N -3.83 0.38 -0.19 -0.62 -2.85 0.35 -0.53 119.74 112.46 1bnr s LYS 98 Ca 0.38 0.04 0.01 0.00 -1.00 0.00 0.00 55.97 55.40 1bnr s LYS 98 Cb 0.01 -0.52 0.02 0.00 -2.06 0.00 0.00 37.83 35.28 1bnr s LYS 98 CO 0.22 -0.12 -0.19 -0.08 0.10 0.00 0.00 175.35 175.28 1bnr s THR 99 N 0.96 2.11 -0.26 3.79 -1.32 -0.50 -1.43 115.64 119.00 1bnr s THR 99 Ca -0.10 -0.99 0.13 0.00 -1.21 0.00 0.00 61.69 59.52 1bnr s THR 99 Cb -0.14 -1.92 0.70 0.00 -1.51 0.00 0.00 72.50 69.63 1bnr s THR 99 CO -0.01 0.48 1.66 0.35 -2.21 0.00 0.00 174.62 174.89 1bnr n THR 100 N 4.61 2.69 -2.06 5.08 -2.24 -1.26 -1.30 114.28 119.80 1bnr n THR 100 Ca -0.20 -1.72 0.02 0.00 -2.27 0.00 0.00 64.05 59.87 1bnr n THR 100 Cb 0.49 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.09 0.41 -1.66 3.42 5.68 -1.24 -4.74 116.55 118.33 1bnr n ASP 101 Ca 0.31 -2.10 -0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1bnr n ASP 101 Cb 1.17 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 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 0.02 -0.35 -4.32 2.11 -0.00 0.14 -4.02 115.22 108.79 1bnr n HIS 102 Ca 0.03 0.14 -0.36 0.00 -0.00 0.00 0.00 57.72 57.53 1bnr n HIS 102 Cb 0.81 -1.79 -0.06 0.00 -0.00 0.00 0.00 29.99 28.95 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 -0.85 -1.41 0.04 1.57 4.01 -1.26 -4.76 117.16 114.49 1bnr n TYR 103 Ca 0.01 0.71 0.02 0.00 -0.16 0.00 0.00 57.90 58.47 1bnr n TYR 103 Cb 0.32 -2.66 -0.02 0.00 -0.31 0.00 0.00 39.34 36.67 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 -4.33 1.86 -3.33 -0.72 1.13 -1.26 -4.78 117.38 105.95 1bnr n GLN 104 Ca -0.07 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.85 1bnr n GLN 104 Cb 0.56 -0.95 -0.07 0.00 0.11 0.00 0.00 30.24 29.89 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 -1.94 -0.50 -0.32 5.09 2.01 -1.26 -5.02 115.64 113.70 1bnr s THR 105 Ca -0.00 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 1bnr s THR 105 Cb 0.02 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1bnr s THR 105 CO 0.13 -0.41 0.62 -0.36 -0.69 0.00 0.00 174.62 173.91 1bnr s PHE 106 N 1.98 3.20 -0.08 4.92 0.08 -1.26 -3.71 117.98 123.10 1bnr s PHE 106 Ca 0.13 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.68 1bnr s PHE 106 Cb -0.13 -3.01 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1bnr s PHE 106 CO -0.17 -0.51 -0.02 0.99 -0.10 0.00 0.00 175.22 175.42 1bnr s THR 107 N 2.61 4.15 -0.04 0.64 2.01 -0.52 -4.74 115.64 119.75 1bnr s THR 107 Ca 0.25 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1bnr s THR 107 Cb -0.15 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1bnr s THR 107 CO 0.12 0.60 1.02 -0.75 -0.69 0.00 0.00 174.62 174.92 1bnr s LYS 108 N -0.80 4.49 -0.10 4.92 2.20 -1.26 -0.49 119.74 128.69 1bnr s LYS 108 Ca 0.12 1.45 -0.00 0.00 -0.36 0.00 0.00 55.97 57.18 1bnr s LYS 108 Cb -0.11 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1bnr s LYS 108 CO 0.02 -0.19 -0.09 0.44 -0.36 0.00 0.00 175.35 175.17 1bnr n ILE 109 N 4.19 0.54 0.26 5.43 -5.35 -0.66 -4.97 119.36 118.80 1bnr n ILE 109 Ca 0.08 -0.19 0.03 0.00 -0.27 0.00 0.00 62.75 62.39 1bnr n ILE 109 Cb 0.50 -1.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.42 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33