#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brs s GLN 2 N 0.00 3.16 -0.00 0.00 -0.21 -1.26 -5.07 119.66 116.28 1brs s GLN 2 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.73 1brs s GLN 2 Cb 0.00 -3.99 -0.00 0.00 1.00 0.00 0.00 33.01 30.01 1brs s GLN 2 CO 0.00 -1.00 -0.04 0.08 -2.12 0.00 0.00 175.29 172.21 1brs s VAL 3 N 2.48 0.34 -0.25 1.09 1.01 -1.26 -4.43 120.40 119.38 1brs s VAL 3 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1brs s VAL 3 Cb -0.17 -0.30 0.08 0.00 0.00 0.00 0.00 36.38 36.00 1brs s VAL 3 CO 0.15 0.07 0.10 -0.63 0.00 0.00 0.00 175.10 174.78 1brs s ILE 4 N -0.17 0.15 -0.02 2.22 1.01 -1.26 -5.04 121.20 118.09 1brs s ILE 4 Ca 0.01 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1brs s ILE 4 Cb -0.02 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.51 1brs s ILE 4 CO -0.00 -0.52 0.94 -0.46 0.00 0.00 0.00 174.94 174.89 1brs n ASN 5 N 5.17 0.39 -4.94 3.58 6.94 -1.26 -4.79 115.26 120.35 1brs n ASN 5 Ca -0.06 -1.98 -0.25 0.00 -0.02 0.00 0.00 54.58 52.27 1brs n ASN 5 Cb 0.45 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.65 1brs n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brs s THR 6 N -0.43 5.17 0.13 5.53 -4.23 -1.26 -1.13 115.64 119.41 1brs s THR 6 Ca 0.04 -0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 1brs s THR 6 Cb 0.04 -3.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1brs s THR 6 CO 0.00 -0.35 1.61 -0.26 -0.54 0.00 0.00 174.62 175.08 1brs h PHE 7 N 1.38 -0.95 -0.56 3.99 0.04 -1.98 0.42 116.94 119.28 1brs h PHE 7 Ca -0.49 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 1brs h PHE 7 Cb 1.21 0.42 -0.02 0.00 2.20 0.00 0.00 35.95 39.76 1brs h PHE 7 CO 0.52 -0.43 0.22 -0.44 -0.60 0.00 0.00 178.31 177.58 1brs h ASP 8 N -0.47 0.77 -0.51 2.17 3.32 -1.98 0.54 116.42 120.25 1brs h ASP 8 Ca 0.07 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1brs h ASP 8 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1brs h ASP 8 CO -0.30 0.73 0.29 1.23 -1.72 0.00 0.00 179.24 179.47 1brs h GLY 9 N 0.76 0.76 1.30 2.75 0.00 -1.89 0.19 103.07 106.94 1brs h GLY 9 Ca 0.18 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 46.92 1brs h GLY 9 CO -0.01 0.32 -1.05 -2.08 0.00 0.00 0.00 176.54 173.72 1brs h VAL 10 N 0.69 1.31 -0.21 4.60 2.07 -0.09 -2.27 116.25 122.35 1brs h VAL 10 Ca 0.18 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1brs h VAL 10 Cb 0.02 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1brs h VAL 10 CO -0.03 0.71 0.13 0.00 0.02 0.00 0.00 177.57 178.40 1brs h ALA 11 N 0.48 0.27 -0.87 1.67 0.00 -0.74 -1.60 119.26 118.47 1brs h ALA 11 Ca -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1brs h ALA 11 Cb 1.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1brs h ALA 11 CO 0.20 -0.23 0.57 -0.44 0.00 0.00 0.00 179.25 179.35 1brs h ASP 12 N 0.27 1.00 -0.28 0.00 3.32 -0.63 -2.22 116.42 117.87 1brs h ASP 12 Ca 0.08 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1brs h ASP 12 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1brs h ASP 12 CO -0.02 0.73 0.16 0.22 -1.72 0.00 0.00 179.24 178.61 1brs h TYR 13 N 1.18 0.38 -0.30 4.55 5.03 -1.13 -0.83 116.97 125.85 1brs h TYR 13 Ca 0.32 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.62 1brs h TYR 13 Cb -0.13 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.01 1brs h TYR 13 CO -0.01 0.31 0.19 -0.07 -1.32 0.00 0.00 178.16 177.26 1brs h LEU 14 N 0.34 0.34 -0.58 2.82 3.38 -1.20 0.44 115.31 120.85 1brs h LEU 14 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1brs h LEU 14 Cb 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1brs h LEU 14 CO -0.02 0.26 0.36 1.56 0.09 0.00 0.00 178.44 180.69 1brs h GLN 15 N 0.40 0.79 0.06 1.13 4.20 -1.26 0.64 115.11 121.07 1brs h GLN 15 Ca 0.11 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1brs h GLN 15 Cb -0.04 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.59 1brs h GLN 15 CO -0.02 0.56 -0.39 1.15 -0.67 0.00 0.00 178.83 179.46 1brs h THR 16 N 0.79 1.64 -0.00 -0.54 2.02 -0.92 -3.38 112.91 112.52 1brs h THR 16 Ca 0.21 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1brs h THR 16 Cb -0.03 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1brs h THR 16 CO -0.04 0.65 -0.99 -1.22 0.37 0.00 0.00 175.52 174.29 1brs n TYR 17 N -4.38 0.00 -3.05 3.16 4.01 0.15 -5.00 117.16 112.05 1brs n TYR 17 Ca -0.12 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.42 1brs n TYR 17 Cb 0.63 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.70 1brs n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brs n HIS 18 N -1.47 -1.94 -3.52 -0.72 8.25 0.22 -4.98 115.22 111.07 1brs n HIS 18 Ca 0.04 0.56 -0.10 0.00 -0.26 0.00 0.00 57.72 57.96 1brs n HIS 18 Cb 0.33 -4.28 -0.03 0.00 1.12 0.00 0.00 29.99 27.13 1brs n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brs s LYS 19 N -5.70 0.80 0.47 -0.41 -2.85 -1.25 -5.06 119.74 105.74 1brs s LYS 19 Ca 0.32 -0.14 -0.20 0.00 -1.00 0.00 0.00 55.97 54.96 1brs s LYS 19 Cb -0.14 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 1brs s LYS 19 CO 0.40 -0.32 0.99 -0.51 0.10 0.00 0.00 175.35 176.01 1brs s LEU 20 N -2.01 3.84 0.92 2.77 1.43 -1.26 -3.84 118.68 120.52 1brs s LEU 20 Ca 0.02 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1brs s LEU 20 Cb -0.01 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.79 1brs s LEU 20 CO -0.05 -0.59 1.02 -2.65 0.23 0.00 0.00 176.35 174.32 1brs n PRO 21 N -0.97 -0.39 0.00 1.29 -0.02 -1.26 -4.88 135.00 128.77 1brs n PRO 21 Ca 0.08 -0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.59 1brs n PRO 21 Cb 0.53 -2.29 0.48 0.00 -0.02 0.00 0.00 33.50 32.21 1brs n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1brs n ASP 22 N -3.67 0.00 -0.82 2.55 8.00 -1.26 -3.25 116.55 118.10 1brs n ASP 22 Ca 0.11 -0.43 0.04 0.00 0.71 0.00 0.00 54.79 55.23 1brs n ASP 22 Cb 0.52 -0.05 0.16 0.00 -0.02 0.00 0.00 41.12 41.73 1brs n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1brs n ASN 23 N -1.05 2.32 -4.57 -2.24 6.94 -1.26 -4.89 115.26 110.51 1brs n ASN 23 Ca 0.12 -2.17 -0.33 0.00 -0.02 0.00 0.00 54.58 52.18 1brs n ASN 23 Cb 0.07 -0.37 -0.11 0.00 -2.36 0.00 0.00 39.78 37.01 1brs n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brs s TYR 24 N -1.65 2.90 0.03 -2.53 2.02 -1.20 -0.62 117.35 116.29 1brs s TYR 24 Ca 0.23 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 1brs s TYR 24 Cb 0.14 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1brs s TYR 24 CO 0.12 0.32 -0.07 0.96 -1.57 0.00 0.00 175.55 175.31 1brs s ILE 25 N -0.83 0.46 0.87 2.71 -4.36 0.05 -4.86 121.20 115.25 1brs s ILE 25 Ca 0.13 -0.86 -0.12 0.00 -0.26 0.00 0.00 60.65 59.54 1brs s ILE 25 Cb -0.11 -0.51 0.11 0.00 1.25 0.00 0.00 42.46 43.20 1brs s ILE 25 CO 0.02 -0.28 1.13 0.42 0.24 0.00 0.00 174.94 176.47 1brs s THR 26 N -1.09 2.33 0.17 8.37 -4.23 -1.22 -0.15 115.64 119.82 1brs s THR 26 Ca -0.08 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 1brs s THR 26 Cb -0.08 -2.88 0.05 0.00 1.34 0.00 0.00 72.50 70.93 1brs s THR 26 CO 0.00 -0.14 1.76 0.11 -0.54 0.00 0.00 174.62 175.81 1brs h LYS 27 N -1.33 0.35 -0.76 3.99 1.57 -1.97 -1.40 116.57 117.02 1brs h LYS 27 Ca -0.49 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1brs h LYS 27 Cb 1.31 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1brs h LYS 27 CO 0.62 0.23 0.33 0.66 -0.57 0.00 0.00 179.45 180.72 1brs h SER 28 N 0.36 1.01 -0.51 0.86 4.64 -1.98 0.45 113.55 118.37 1brs h SER 28 Ca 0.19 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1brs h SER 28 Cb 0.15 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1brs h SER 28 CO -0.17 0.88 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.16 1brs h GLU 29 N 1.09 1.02 -0.50 4.77 5.08 -1.80 -2.04 114.58 122.20 1brs h GLU 29 Ca 0.26 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1brs h GLU 29 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1brs h GLU 29 CO -0.03 1.10 0.21 0.00 -1.00 0.00 0.00 179.01 179.30 1brs h ALA 30 N 0.89 0.65 -0.33 3.43 0.00 -0.71 -2.55 119.26 120.65 1brs h ALA 30 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1brs h ALA 30 Cb 0.75 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1brs h ALA 30 CO 0.06 0.25 -0.11 1.96 0.00 0.00 0.00 179.25 181.41 1brs h GLN 31 N 0.67 0.56 -0.04 0.00 4.20 -0.83 -0.89 115.11 118.78 1brs h GLN 31 Ca 0.17 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1brs h GLN 31 Cb 0.18 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1brs h GLN 31 CO -0.02 0.67 -0.22 0.00 -0.67 0.00 0.00 178.83 178.60 1brs h ALA 32 N 1.36 1.57 -0.00 3.87 0.00 -0.97 -1.76 119.26 123.33 1brs h ALA 32 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1brs h ALA 32 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1brs h ALA 32 CO 0.03 0.32 -0.12 1.28 0.00 0.00 0.00 179.25 180.76 1brs n LEU 33 N -4.25 0.33 0.00 0.00 4.77 -0.76 -4.92 117.00 112.17 1brs n LEU 33 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1brs n LEU 33 Cb 0.29 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1brs n LEU 33 CO 0.37 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1brs n GLY 34 N 1.35 1.19 3.73 -0.72 0.00 -0.66 -4.84 105.19 105.25 1brs n GLY 34 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1brs n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brs s TRP 35 N -2.00 3.14 -0.26 1.61 -0.00 -0.41 -4.96 118.94 116.07 1brs s TRP 35 Ca 0.00 1.03 0.01 0.00 -0.00 0.00 0.00 56.10 57.14 1brs s TRP 35 Cb 0.00 -3.74 0.07 0.00 -0.00 0.00 0.00 33.47 29.81 1brs s TRP 35 CO 0.00 -2.44 -0.01 0.08 -0.00 0.00 0.00 176.95 174.58 1brs s VAL 36 N 0.36 1.42 0.24 5.86 1.01 -1.26 -4.51 120.40 123.51 1brs s VAL 36 Ca 0.61 -1.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1brs s VAL 36 Cb -0.39 -1.81 0.28 0.00 0.00 0.00 0.00 36.38 34.45 1brs s VAL 36 CO 0.38 -0.26 1.64 0.00 0.00 0.00 0.00 175.10 176.85 1brs h ALA 37 N 7.96 0.78 0.00 5.51 0.00 -1.99 -0.76 119.26 130.76 1brs h ALA 37 Ca -0.15 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1brs h ALA 37 Cb 1.06 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1brs h ALA 37 CO 0.43 -0.42 -0.01 0.66 0.00 0.00 0.00 179.25 179.90 1brs h SER 38 N 0.10 0.00 1.56 0.00 4.64 -2.02 -1.86 113.55 115.97 1brs h SER 38 Ca 0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 1brs h SER 38 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1brs h SER 38 CO -0.66 0.01 -0.44 0.11 -0.87 0.00 0.00 176.83 174.98 1brs h LYS 39 N 0.00 0.00 -4.20 4.77 1.57 -1.57 -3.48 116.57 113.66 1brs h LYS 39 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1brs h LYS 39 Cb 0.35 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.72 1brs h LYS 39 CO 0.00 0.06 -0.55 0.41 -0.57 0.00 0.00 179.45 178.81 1brs n GLY 40 N 1.15 -0.38 1.37 3.86 0.00 -0.70 -4.94 105.19 105.55 1brs n GLY 40 Ca 0.02 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1brs n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brs n ASN 41 N -2.09 4.02 -0.31 1.61 6.94 -1.25 -3.78 115.26 120.40 1brs n ASN 41 Ca -0.08 -2.28 0.15 0.00 -0.02 0.00 0.00 54.58 52.35 1brs n ASN 41 Cb 0.60 -0.51 0.33 0.00 -2.36 0.00 0.00 39.78 37.84 1brs n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brs h LEU 42 N 3.67 0.18 -1.02 -4.53 5.85 -1.87 0.29 115.31 117.88 1brs h LEU 42 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1brs h LEU 42 Cb 1.18 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1brs h LEU 42 CO 0.15 -0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 1brs h ALA 43 N 1.77 1.00 -0.01 1.25 0.00 -1.83 0.11 119.26 121.56 1brs h ALA 43 Ca 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.38 1brs h ALA 43 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1brs h ALA 43 CO -0.61 0.00 -0.45 -0.44 0.00 0.00 0.00 179.25 177.75 1brs h ASP 44 N 0.00 0.41 0.48 0.00 3.32 -0.77 -3.21 116.42 116.65 1brs h ASP 44 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1brs h ASP 44 Cb 0.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1brs h ASP 44 CO 0.00 1.11 -0.90 1.33 -1.72 0.00 0.00 179.24 179.06 1brs n VAL 45 N -4.34 0.17 -2.96 -1.35 0.24 -1.08 -4.63 118.33 104.38 1brs n VAL 45 Ca -0.10 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.86 1brs n VAL 45 Cb 0.59 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.15 1brs n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brs n ALA 46 N -1.77 -0.02 -1.70 2.33 0.00 0.37 -4.91 120.51 114.81 1brs n ALA 46 Ca 0.03 -1.98 -0.44 0.00 0.00 0.00 0.00 53.44 51.04 1brs n ALA 46 Cb 0.42 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1brs n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1brs n PRO 47 N 2.24 2.43 -0.95 0.00 -0.02 -1.21 -1.76 135.00 135.73 1brs n PRO 47 Ca 0.18 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1brs n PRO 47 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1brs n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brs n GLY 48 N 3.38 0.73 3.95 -1.23 0.00 -1.26 -5.02 105.19 105.73 1brs n GLY 48 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1brs n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brs s LYS 49 N -0.20 3.23 0.08 1.61 -0.14 -0.72 -4.82 119.74 118.77 1brs s LYS 49 Ca 0.00 -0.91 0.03 0.00 -1.36 0.00 0.00 55.97 53.74 1brs s LYS 49 Cb 0.00 -2.79 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 1brs s LYS 49 CO 0.00 0.31 -0.10 -1.12 -0.76 0.00 0.00 175.35 173.68 1brs s SER 50 N -4.01 1.32 0.08 2.83 0.01 0.21 -4.87 113.70 109.27 1brs s SER 50 Ca 0.37 -0.73 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 1brs s SER 50 Cb -0.09 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.09 1brs s SER 50 CO 0.29 -0.23 1.20 -0.63 0.41 0.00 0.00 173.24 174.28 1brs s ILE 51 N -2.05 3.98 -0.23 1.44 -1.09 -1.26 -0.77 121.20 121.22 1brs s ILE 51 Ca 0.01 1.45 -0.33 0.00 -2.23 0.00 0.00 60.65 59.55 1brs s ILE 51 Cb -0.05 -3.93 0.16 0.00 -1.58 0.00 0.00 42.46 37.06 1brs s ILE 51 CO 0.00 0.13 1.26 -0.83 -1.23 0.00 0.00 174.94 174.27 1brs s GLY 52 N 0.93 -0.13 0.00 6.18 0.00 0.78 -0.94 107.32 114.15 1brs s GLY 52 Ca 0.58 2.17 0.00 0.00 0.00 0.00 0.00 44.72 47.47 1brs s GLY 52 CO 0.30 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.84 1brs n GLY 53 N 0.26 0.51 3.80 0.20 0.00 0.47 -3.42 105.19 107.00 1brs n GLY 53 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1brs n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brs s ASP 54 N -2.00 6.09 0.30 1.61 1.01 -1.20 -4.76 116.67 117.72 1brs s ASP 54 Ca 0.00 1.89 -0.29 0.00 0.71 0.00 0.00 52.55 54.86 1brs s ASP 54 Cb 0.00 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 1brs s ASP 54 CO 0.00 -0.96 1.46 -0.63 0.21 0.00 0.00 175.17 175.25 1brs s ILE 55 N -2.17 2.40 -0.26 0.77 -1.09 -1.26 -1.36 121.20 118.23 1brs s ILE 55 Ca 0.66 0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 59.36 1brs s ILE 55 Cb -0.17 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1brs s ILE 55 CO 0.27 0.07 0.10 0.12 -1.23 0.00 0.00 174.94 174.27 1brs s PHE 56 N -0.47 3.12 -1.97 3.97 5.36 0.09 -4.75 117.98 123.33 1brs s PHE 56 Ca 0.57 -0.40 0.29 0.00 -0.96 0.00 0.00 56.93 56.43 1brs s PHE 56 Cb -0.44 -2.28 1.25 0.00 -0.34 0.00 0.00 43.02 41.22 1brs s PHE 56 CO 0.51 -0.36 1.86 0.43 -1.46 0.00 0.00 175.22 176.20 1brs n SER 57 N 4.95 0.74 -4.01 6.13 7.64 -1.26 -4.05 113.62 123.76 1brs n SER 57 Ca -0.15 -0.95 -0.29 0.00 1.01 0.00 0.00 58.87 58.48 1brs n SER 57 Cb 0.51 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1brs n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1brs n ASN 58 N -0.61 -0.97 -0.07 6.43 5.15 -1.26 -4.83 115.26 119.10 1brs n ASN 58 Ca 0.17 -1.09 0.11 0.00 -0.60 0.00 0.00 54.58 53.18 1brs n ASN 58 Cb 0.28 -2.67 0.50 0.00 -0.53 0.00 0.00 39.78 37.35 1brs n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brs h ARG 59 N -1.90 0.39 -0.10 1.20 3.08 -2.00 0.19 114.38 115.24 1brs h ARG 59 Ca -0.65 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1brs h ARG 59 Cb 1.38 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1brs h ARG 59 CO 0.61 0.26 0.00 0.39 -1.07 0.00 0.00 179.97 180.17 1brs n GLU 60 N -4.47 1.82 -1.88 0.04 -0.58 -1.26 -4.94 120.64 109.37 1brs n GLU 60 Ca 0.09 -1.21 -0.20 0.00 -0.42 0.00 0.00 57.16 55.42 1brs n GLU 60 Cb 0.35 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 1brs n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1brs n GLY 61 N 1.20 1.03 0.18 0.62 0.00 0.67 -4.88 105.19 104.01 1brs n GLY 61 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1brs n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brs h LYS 62 N 0.00 0.00 -6.16 1.61 1.57 -1.92 -3.44 116.57 108.23 1brs h LYS 62 Ca -0.43 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.80 1brs h LYS 62 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1brs h LYS 62 CO 0.59 0.37 -0.38 -0.51 -0.57 0.00 0.00 179.45 178.95 1brs s LEU 63 N -6.73 4.27 -0.06 2.94 1.43 -1.26 -5.02 118.68 114.25 1brs s LEU 63 Ca 0.02 0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 1brs s LEU 63 Cb 0.09 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.13 1brs s LEU 63 CO 0.69 -0.00 2.01 -0.81 0.23 0.00 0.00 176.35 178.47 1brs n PRO 64 N -0.55 2.45 -3.85 1.29 -0.04 -1.26 -5.00 135.00 128.04 1brs n PRO 64 Ca -0.05 0.86 -0.21 0.00 -0.04 0.00 0.00 63.50 64.06 1brs n PRO 64 Cb 0.54 -2.93 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 1brs n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1brs s GLY 65 N 5.18 1.47 -0.30 0.55 0.00 -1.26 -5.07 107.32 107.90 1brs s GLY 65 Ca 0.93 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 1brs s GLY 65 CO 0.44 -1.40 1.39 -1.59 0.00 0.00 0.00 173.10 171.93 1brs s LYS 66 N -4.00 0.02 -0.11 2.90 -2.85 -1.26 -5.05 119.74 109.38 1brs s LYS 66 Ca 0.38 0.00 -0.39 0.00 -1.00 0.00 0.00 55.97 54.96 1brs s LYS 66 Cb -0.08 0.01 -0.17 0.00 -2.06 0.00 0.00 37.83 35.53 1brs s LYS 66 CO 0.28 -0.01 1.49 0.43 0.10 0.00 0.00 175.35 177.64 1brs n SER 67 N 0.50 1.72 0.00 0.03 7.64 -1.26 0.14 113.62 122.40 1brs n SER 67 Ca 0.01 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1brs n SER 67 Cb 0.59 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1brs n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1brs n GLY 68 N 3.19 2.13 3.71 0.23 0.00 -1.26 -5.02 105.19 108.18 1brs n GLY 68 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1brs n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brs s ARG 69 N -0.03 4.39 0.00 1.61 3.52 0.38 -4.96 118.95 123.87 1brs s ARG 69 Ca 0.00 0.74 0.08 0.00 -0.13 0.00 0.00 55.73 56.42 1brs s ARG 69 Cb 0.00 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1brs s ARG 69 CO 0.00 0.06 -0.24 0.95 -0.81 0.00 0.00 175.30 175.26 1brs s THR 70 N 0.85 1.90 0.15 4.11 -4.23 -1.26 -4.66 115.64 112.50 1brs s THR 70 Ca 0.34 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1brs s THR 70 Cb -0.17 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1brs s THR 70 CO 0.15 0.45 0.15 0.26 -0.54 0.00 0.00 174.62 175.08 1brs s TRP 71 N -0.65 3.19 0.04 3.99 0.52 -1.26 -1.67 118.94 123.11 1brs s TRP 71 Ca 0.09 0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.22 1brs s TRP 71 Cb -0.09 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1brs s TRP 71 CO 0.00 0.52 -0.04 1.03 0.02 0.00 0.00 176.95 178.48 1brs s ARG 72 N -3.04 0.52 0.16 4.98 0.52 -0.65 -0.73 118.95 120.71 1brs s ARG 72 Ca 0.31 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1brs s ARG 72 Cb -0.10 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 1brs s ARG 72 CO 0.24 -0.05 -0.11 -1.83 0.02 0.00 0.00 175.30 173.56 1brs s GLU 73 N -2.66 1.12 -0.06 3.54 -1.05 -0.46 -0.64 118.70 118.50 1brs s GLU 73 Ca -0.03 -1.47 -0.14 0.00 -0.15 0.00 0.00 54.97 53.17 1brs s GLU 73 Cb -0.02 -0.76 0.03 0.00 -0.44 0.00 0.00 34.13 32.95 1brs s GLU 73 CO -0.04 0.11 0.33 0.00 0.95 0.00 0.00 175.26 176.60 1brs s ALA 74 N -3.19 -0.84 0.25 -0.84 0.00 -0.14 0.18 121.76 117.18 1brs s ALA 74 Ca 0.18 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1brs s ALA 74 Cb 0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1brs s ALA 74 CO 0.02 -0.23 1.02 -0.51 0.00 0.00 0.00 175.76 176.06 1brs s ASP 75 N -0.75 7.46 0.09 0.00 1.11 -0.11 -0.29 116.67 124.17 1brs s ASP 75 Ca -0.08 2.09 0.08 0.00 0.18 0.00 0.00 52.55 54.81 1brs s ASP 75 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1brs s ASP 75 CO 0.03 -0.00 -0.15 -0.63 1.18 0.00 0.00 175.17 175.60 1brs s ILE 76 N -1.06 3.01 -1.84 0.77 -1.09 -0.72 -4.75 121.20 115.51 1brs s ILE 76 Ca 0.43 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1brs s ILE 76 Cb -0.29 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.24 1brs s ILE 76 CO 0.36 0.17 0.00 0.59 -1.23 0.00 0.00 174.94 174.83 1brs n ASN 77 N 0.98 -5.16 -4.83 3.58 3.02 -0.29 -4.60 115.26 107.97 1brs n ASN 77 Ca -0.15 0.37 -0.38 0.00 -0.03 0.00 0.00 54.58 54.39 1brs n ASN 77 Cb 0.52 -4.24 -0.06 0.00 -0.61 0.00 0.00 39.78 35.40 1brs n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brs s TYR 78 N -2.70 3.71 0.00 3.10 5.04 -1.26 -4.98 117.35 120.26 1brs s TYR 78 Ca 0.00 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1brs s TYR 78 Cb 0.00 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 40.01 1brs s TYR 78 CO 0.00 0.61 0.00 2.41 -1.34 0.00 0.00 175.55 177.23 1brs n THR 79 N 1.96 0.00 -3.66 4.34 -1.04 -1.26 -4.92 114.28 109.70 1brs n THR 79 Ca -0.14 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 1brs n THR 79 Cb 0.52 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 1brs n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1brs s SER 80 N -4.98 -0.34 0.00 8.00 1.04 -1.26 -4.77 113.70 111.38 1brs s SER 80 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1brs s SER 80 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1brs s SER 80 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1brs n GLY 81 N -0.41 -1.72 3.77 7.32 0.00 -1.25 -4.91 105.19 107.99 1brs n GLY 81 Ca -0.09 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1brs n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brs s PHE 82 N 0.00 2.58 0.48 1.61 0.08 -1.26 -4.63 117.98 116.84 1brs s PHE 82 Ca 0.00 1.53 -0.22 0.00 0.12 0.00 0.00 56.93 58.36 1brs s PHE 82 Cb 0.00 -3.35 -0.07 0.00 -0.57 0.00 0.00 43.02 39.03 1brs s PHE 82 CO 0.00 -1.78 1.18 1.03 -0.10 0.00 0.00 175.22 175.55 1brs s ARG 83 N -3.30 3.61 0.02 0.44 0.52 -1.26 -5.01 118.95 113.97 1brs s ARG 83 Ca 0.74 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 1brs s ARG 83 Cb -0.26 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1brs s ARG 83 CO 0.29 -0.68 0.03 0.27 0.02 0.00 0.00 175.30 175.23 1brs n ASN 84 N -0.70 0.05 -1.48 0.23 0.23 -1.26 -5.05 115.26 107.28 1brs n ASN 84 Ca 0.08 -1.04 0.08 0.00 -0.53 0.00 0.00 54.58 53.17 1brs n ASN 84 Cb 0.48 -0.02 0.34 0.00 -2.08 0.00 0.00 39.78 38.51 1brs n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brs n SER 85 N -2.99 4.89 -4.63 0.53 3.41 -1.26 -4.97 113.62 108.60 1brs n SER 85 Ca 0.00 -2.84 -0.34 0.00 -0.26 0.00 0.00 58.87 55.43 1brs n SER 85 Cb 0.02 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 1brs n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brs s ASP 86 N -1.18 5.47 0.01 4.04 1.01 -1.26 -2.33 116.67 122.44 1brs s ASP 86 Ca 0.49 0.07 -0.07 0.00 0.71 0.00 0.00 52.55 53.75 1brs s ASP 86 Cb 0.37 -1.88 -0.00 0.00 1.01 0.00 0.00 42.92 42.42 1brs s ASP 86 CO 0.15 0.21 0.13 -0.13 0.21 0.00 0.00 175.17 175.74 1brs s ARG 87 N 0.14 0.51 -0.10 8.23 1.81 -0.37 -1.76 118.95 127.40 1brs s ARG 87 Ca 0.04 -0.47 -0.00 0.00 -1.72 0.00 0.00 55.73 53.57 1brs s ARG 87 Cb -0.13 0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 34.56 1brs s ARG 87 CO 0.01 -0.12 -0.07 -1.50 -0.68 0.00 0.00 175.30 172.93 1brs s ILE 88 N -1.63 3.62 -0.20 1.52 2.07 0.60 -1.05 121.20 126.13 1brs s ILE 88 Ca -0.13 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.60 1brs s ILE 88 Cb -0.06 -2.51 -0.00 0.00 0.13 0.00 0.00 42.46 40.01 1brs s ILE 88 CO 0.00 0.56 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.73 1brs s LEU 89 N -0.36 2.64 -0.01 8.50 2.01 -0.16 -0.96 118.68 130.33 1brs s LEU 89 Ca 0.05 -0.46 0.01 0.00 0.01 0.00 0.00 54.13 53.74 1brs s LEU 89 Cb -0.12 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.44 1brs s LEU 89 CO 0.02 0.01 -0.04 -0.72 1.01 0.00 0.00 176.35 176.64 1brs s TYR 90 N 1.27 0.44 0.49 0.29 1.13 0.19 -1.24 117.35 119.91 1brs s TYR 90 Ca 0.03 -0.08 -0.00 0.00 -1.41 0.00 0.00 57.07 55.61 1brs s TYR 90 Cb -0.14 -0.35 0.01 0.00 -1.10 0.00 0.00 41.96 40.38 1brs s TYR 90 CO -0.05 -0.06 0.73 -1.54 -2.51 0.00 0.00 175.55 172.12 1brs s SER 91 N 0.26 5.65 0.52 -0.18 1.04 -0.66 -1.63 113.70 118.70 1brs s SER 91 Ca -0.03 0.25 0.28 0.00 0.48 0.00 0.00 55.95 56.93 1brs s SER 91 Cb -0.06 -1.37 1.42 0.00 0.10 0.00 0.00 66.02 66.11 1brs s SER 91 CO -0.00 -0.87 2.05 0.77 0.98 0.00 0.00 173.24 176.17 1brs h SER 92 N 0.24 0.00 -0.67 7.02 4.64 -1.67 -1.20 113.55 121.90 1brs h SER 92 Ca -0.45 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.58 1brs h SER 92 Cb 1.27 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.18 1brs h SER 92 CO 0.56 0.12 0.28 -0.90 -0.87 0.00 0.00 176.83 176.02 1brs n ASP 93 N -3.57 3.68 -3.87 4.97 5.75 -1.26 -4.98 116.55 117.27 1brs n ASP 93 Ca -0.02 -3.50 -0.29 0.00 -0.01 0.00 0.00 54.79 50.97 1brs n ASP 93 Cb 0.25 -0.73 0.03 0.00 -1.03 0.00 0.00 41.12 39.65 1brs n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brs n TRP 94 N -0.82 -2.35 -2.85 2.11 7.02 -0.45 -5.03 117.44 115.07 1brs n TRP 94 Ca 0.44 0.92 -0.36 0.00 -1.02 0.00 0.00 57.50 57.47 1brs n TRP 94 Cb 1.34 -4.13 -0.06 0.00 -2.42 0.00 0.00 31.31 26.04 1brs n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brs s LEU 95 N -7.25 4.31 -0.09 -0.99 1.43 -1.26 -4.81 118.68 110.02 1brs s LEU 95 Ca 0.61 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1brs s LEU 95 Cb -0.30 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 41.97 1brs s LEU 95 CO 0.82 -0.07 -0.08 -0.63 0.23 0.00 0.00 176.35 176.61 1brs s ILE 96 N -1.65 1.00 0.26 -0.59 1.01 -1.26 -1.66 121.20 118.32 1brs s ILE 96 Ca 0.50 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.89 1brs s ILE 96 Cb -0.17 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1brs s ILE 96 CO 0.22 0.35 -0.07 -0.31 0.00 0.00 0.00 174.94 175.14 1brs s TYR 97 N 1.37 1.85 0.07 3.97 1.51 -0.37 -0.97 117.35 124.78 1brs s TYR 97 Ca -0.02 -0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 55.34 1brs s TYR 97 Cb -0.14 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1brs s TYR 97 CO -0.04 0.25 -0.03 -1.59 -1.11 0.00 0.00 175.55 173.03 1brs s LYS 98 N -3.73 0.70 0.00 -0.62 -2.85 0.20 -0.99 119.74 112.46 1brs s LYS 98 Ca 0.28 -1.27 0.02 0.00 -1.00 0.00 0.00 55.97 53.99 1brs s LYS 98 Cb 0.03 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1brs s LYS 98 CO 0.10 -0.10 -0.07 -0.08 0.10 0.00 0.00 175.35 175.31 1brs s THR 99 N -3.84 0.50 0.00 3.79 -1.32 -0.22 -0.34 115.64 114.21 1brs s THR 99 Ca 0.10 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1brs s THR 99 Cb 0.07 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1brs s THR 99 CO -0.07 0.04 0.46 0.35 -2.21 0.00 0.00 174.62 173.19 1brs n THR 100 N 2.65 0.10 -2.09 5.08 -2.24 -1.26 -1.24 114.28 115.29 1brs n THR 100 Ca -0.15 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1brs n THR 100 Cb 0.57 1.13 0.06 0.00 -2.10 0.00 0.00 70.33 70.00 1brs n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brs n ASP 101 N -0.05 3.53 -3.59 3.42 5.68 -1.24 -4.60 116.55 119.71 1brs n ASP 101 Ca 0.00 -3.42 -0.27 0.00 -0.50 0.00 0.00 54.79 50.60 1brs n ASP 101 Cb 0.09 -0.40 0.05 0.00 -1.14 0.00 0.00 41.12 39.72 1brs n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1brs n HIS 102 N -0.71 -2.03 -1.71 2.11 -0.00 -0.98 -3.47 115.22 108.42 1brs n HIS 102 Ca 0.31 0.56 -0.19 0.00 -0.00 0.00 0.00 57.72 58.40 1brs n HIS 102 Cb 0.90 -3.63 -0.07 0.00 -0.00 0.00 0.00 29.99 27.19 1brs n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1brs n TYR 103 N -3.97 -0.26 -0.03 1.57 4.01 -1.26 -4.89 117.16 112.32 1brs n TYR 103 Ca -0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 1brs n TYR 103 Cb 0.60 -3.38 -0.11 0.00 -0.31 0.00 0.00 39.34 36.15 1brs n TYR 103 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1brs h GLN 104 N 0.00 0.07 -5.05 -0.72 4.15 -1.99 -3.46 115.11 108.11 1brs h GLN 104 Ca -0.41 -0.06 -0.36 0.00 0.77 0.00 0.00 58.65 58.60 1brs h GLN 104 Cb 1.27 0.01 -0.21 0.00 0.21 0.00 0.00 27.48 28.76 1brs h GLN 104 CO 0.57 0.72 -0.76 0.95 -1.93 0.00 0.00 178.83 178.38 1brs s THR 105 N -3.57 0.91 0.02 2.39 -4.23 -1.26 -5.12 115.64 104.77 1brs s THR 105 Ca -0.16 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1brs s THR 105 Cb 0.01 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1brs s THR 105 CO 0.70 -0.31 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.96 1brs s PHE 106 N -1.41 1.37 -0.10 3.99 0.40 -1.26 -4.41 117.98 116.56 1brs s PHE 106 Ca -0.04 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 1brs s PHE 106 Cb -0.09 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1brs s PHE 106 CO 0.01 0.02 -0.18 0.99 0.70 0.00 0.00 175.22 176.77 1brs s THR 107 N -0.64 1.64 0.09 0.64 2.01 0.54 -4.89 115.64 115.02 1brs s THR 107 Ca 0.04 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1brs s THR 107 Cb -0.07 -1.46 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 1brs s THR 107 CO 0.01 0.47 1.29 -0.75 -0.69 0.00 0.00 174.62 174.95 1brs s LYS 108 N 0.64 4.38 0.00 4.92 2.20 -1.26 0.60 119.74 131.21 1brs s LYS 108 Ca -0.14 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1brs s LYS 108 Cb -0.16 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1brs s LYS 108 CO 0.04 -0.35 0.12 0.44 -0.36 0.00 0.00 175.35 175.24 1brs n ILE 109 N 3.94 0.00 -1.13 5.43 -5.35 -0.14 -4.93 119.36 117.19 1brs n ILE 109 Ca 0.10 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1brs n ILE 109 Cb 0.44 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1brs n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33