#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bag n PHE 1 N 0.00 1.16 -2.72 -1.40 7.35 -1.26 -5.02 117.46 115.56 3bag n PHE 1 Ca 0.00 -1.70 -0.42 0.00 -0.76 0.00 0.00 57.45 54.57 3bag n PHE 1 Cb 0.00 -0.24 -0.03 0.00 0.35 0.00 0.00 39.48 39.56 3bag n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3bag s ASN 2 N -3.27 7.19 0.05 -2.13 0.01 -1.26 -5.02 114.94 110.50 3bag s ASN 2 Ca 0.36 1.46 0.03 0.00 -0.71 0.00 0.00 52.86 54.00 3bag s ASN 2 Cb 0.36 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3bag s ASN 2 CO -0.05 -0.45 0.01 -0.76 -1.51 0.00 0.00 177.10 174.33 3bag s LEU 3 N 2.09 3.52 0.70 0.60 1.43 -1.26 -0.98 118.68 124.78 3bag s LEU 3 Ca 0.46 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 3bag s LEU 3 Cb -0.18 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.90 3bag s LEU 3 CO 0.16 0.22 1.06 -2.16 0.23 0.00 0.00 176.35 175.86 3bag s PRO 4 N -2.02 2.87 0.52 1.29 0.04 -1.26 -4.61 135.00 131.83 3bag s PRO 4 Ca 0.24 0.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 3bag s PRO 4 Cb -0.12 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.54 3bag s PRO 4 CO 0.16 -1.11 0.71 -0.35 0.04 0.00 0.00 177.00 176.45 3bag n PRO 5 N -3.12 -0.35 0.00 0.56 -0.04 -1.26 -4.95 135.00 125.84 3bag n PRO 5 Ca 0.07 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 3bag n PRO 5 Cb 0.54 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 3bag n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bag n GLY 6 N 0.02 -1.07 0.00 0.55 0.00 -1.26 -5.06 105.19 98.36 3bag n GLY 6 Ca 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3bag n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bag n ASN 7 N -1.33 0.00 -0.47 1.61 0.23 -1.26 -5.06 115.26 108.98 3bag n ASN 7 Ca 0.00 -0.28 0.07 0.00 -0.53 0.00 0.00 54.58 53.84 3bag n ASN 7 Cb 0.00 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 37.86 3bag n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3bag n TYR 8 N 0.00 0.43 -0.16 -2.53 4.01 -1.26 -4.72 117.16 112.93 3bag n TYR 8 Ca 0.00 -0.77 -0.01 0.00 -0.16 0.00 0.00 57.90 56.96 3bag n TYR 8 Cb 0.00 -0.17 0.23 0.00 -0.31 0.00 0.00 39.34 39.09 3bag n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3bag h LYS 9 N 1.05 0.89 -5.39 -0.72 1.57 -1.97 -3.45 116.57 108.55 3bag h LYS 9 Ca 0.00 -0.11 -0.46 0.00 -1.87 0.00 0.00 60.65 58.20 3bag h LYS 9 Cb 1.02 -0.17 -0.14 0.00 0.08 0.00 0.00 32.23 33.02 3bag h LYS 9 CO 0.08 0.69 -0.67 0.15 -0.57 0.00 0.00 179.45 179.13 3bag s LYS 10 N -5.52 1.50 0.80 3.15 1.02 -1.26 -5.14 119.74 114.28 3bag s LYS 10 Ca -0.10 -1.76 -0.11 0.00 0.02 0.00 0.00 55.97 54.02 3bag s LYS 10 Cb 0.17 -1.01 0.07 0.00 -0.52 0.00 0.00 37.83 36.53 3bag s LYS 10 CO 0.79 -0.00 1.09 -1.25 -0.92 0.00 0.00 175.35 175.05 3bag s PRO 11 N -3.77 2.09 0.18 -1.68 0.04 -1.26 -4.75 135.00 125.85 3bag s PRO 11 Ca 0.29 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 3bag s PRO 11 Cb 0.04 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 3bag s PRO 11 CO 0.11 -1.69 0.14 0.15 0.04 0.00 0.00 177.00 175.75 3bag s LYS 12 N -5.00 1.13 -0.08 4.56 -0.14 0.16 -4.13 119.74 116.24 3bag s LYS 12 Ca 0.61 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.69 3bag s LYS 12 Cb -0.16 0.28 -0.03 0.00 -1.68 0.00 0.00 37.83 36.24 3bag s LYS 12 CO 0.56 -0.37 -0.01 -0.51 -0.76 0.00 0.00 175.35 174.26 3bag s LEU 13 N -3.11 3.51 -0.41 3.17 1.43 0.32 -0.78 118.68 122.81 3bag s LEU 13 Ca 0.32 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 3bag s LEU 13 Cb 0.06 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.55 3bag s LEU 13 CO 0.08 0.37 0.26 -0.76 0.23 0.00 0.00 176.35 176.53 3bag s LEU 14 N -0.89 5.09 -0.19 1.79 1.43 -1.26 -0.20 118.68 124.46 3bag s LEU 14 Ca 0.13 -1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 51.76 3bag s LEU 14 Cb -0.11 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3bag s LEU 14 CO 0.02 -0.51 0.20 -0.47 0.23 0.00 0.00 176.35 175.82 3bag s TYR 15 N 1.48 3.43 -0.30 0.29 5.04 -0.30 -1.21 117.35 125.78 3bag s TYR 15 Ca 0.03 0.43 -0.07 0.00 -2.44 0.00 0.00 57.07 55.02 3bag s TYR 15 Cb -0.22 -2.24 0.01 0.00 0.35 0.00 0.00 41.96 39.86 3bag s TYR 15 CO 0.04 0.26 0.09 0.00 -1.34 0.00 0.00 175.55 174.60 3bag n SER 17 N 4.88 0.66 -0.04 0.00 7.64 -1.25 -1.08 113.62 124.42 3bag n SER 17 Ca -0.14 0.66 -0.10 0.00 1.01 0.00 0.00 58.87 60.30 3bag n SER 17 Cb 0.48 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 3bag n SER 17 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3bag h ASN 18 N 0.00 -1.04 -0.00 6.43 -1.24 -1.86 -3.23 115.58 114.65 3bag h ASN 18 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3bag h ASN 18 Cb 0.36 0.45 0.00 0.00 0.73 0.00 0.00 38.32 39.86 3bag h ASN 18 CO 0.00 -0.35 -0.02 0.61 -1.29 0.00 0.00 177.43 176.38 3bag n GLY 19 N -1.41 -0.32 1.14 1.57 0.00 -1.24 -4.73 105.19 100.20 3bag n GLY 19 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3bag n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bag n GLY 20 N 0.51 0.69 3.42 -0.02 0.00 -0.24 -4.98 105.19 104.57 3bag n GLY 20 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3bag n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bag s HIS 21 N -2.88 2.38 0.00 1.61 3.76 -0.74 -4.51 115.29 114.91 3bag s HIS 21 Ca 0.00 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 3bag s HIS 21 Cb 0.00 -1.27 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 3bag s HIS 21 CO 0.00 0.37 0.36 -0.06 -0.85 0.00 0.00 174.74 174.56 3bag s PHE 22 N -1.13 3.67 0.19 1.40 0.08 0.76 -0.68 117.98 122.27 3bag s PHE 22 Ca 0.16 0.87 -0.30 0.00 0.12 0.00 0.00 56.93 57.77 3bag s PHE 22 Cb -0.10 -2.20 -0.09 0.00 -0.57 0.00 0.00 43.02 40.06 3bag s PHE 22 CO 0.08 0.63 1.35 -1.17 -0.10 0.00 0.00 175.22 176.01 3bag s LEU 23 N -1.31 4.40 -0.05 -0.37 2.96 -0.35 -1.53 118.68 122.44 3bag s LEU 23 Ca 0.25 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.62 3bag s LEU 23 Cb -0.15 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3bag s LEU 23 CO 0.13 -0.59 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.87 3bag s ARG 24 N 0.14 1.28 -0.35 1.98 3.52 0.44 -4.45 118.95 121.50 3bag s ARG 24 Ca 0.59 -0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3bag s ARG 24 Cb -0.38 -1.13 0.08 0.00 -1.56 0.00 0.00 34.95 31.96 3bag s ARG 24 CO 0.37 0.05 0.10 0.42 -0.81 0.00 0.00 175.30 175.43 3bag s ILE 25 N 0.50 3.14 0.57 4.11 1.01 -0.86 -1.71 121.20 127.96 3bag s ILE 25 Ca -0.09 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.67 3bag s ILE 25 Cb -0.13 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 3bag s ILE 25 CO 0.02 -0.40 1.06 -0.76 0.00 0.00 0.00 174.94 174.87 3bag s LEU 26 N 1.19 3.59 0.48 2.97 1.43 0.28 -4.83 118.68 123.80 3bag s LEU 26 Ca 0.02 1.89 0.25 0.00 -1.03 0.00 0.00 54.13 55.27 3bag s LEU 26 Cb -0.21 -4.55 1.31 0.00 0.03 0.00 0.00 46.19 42.77 3bag s LEU 26 CO -0.03 -1.13 1.87 -0.65 0.23 0.00 0.00 176.35 176.65 3bag h PRO 27 N 0.72 0.17 -0.41 1.29 0.11 -1.98 0.28 132.00 132.18 3bag h PRO 27 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bag h PRO 27 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bag h PRO 27 CO 0.57 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3bag n ASP 28 N -4.39 1.17 0.00 -2.05 5.68 -1.26 -4.85 116.55 110.85 3bag n ASP 28 Ca 0.19 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3bag n ASP 28 Cb 0.85 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 3bag n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bag n GLY 29 N 0.52 1.28 3.78 6.12 0.00 0.09 -4.97 105.19 112.01 3bag n GLY 29 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3bag n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bag s THR 30 N -2.66 3.40 -0.06 2.61 2.01 -1.25 -0.76 115.64 118.93 3bag s THR 30 Ca 0.00 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.06 3bag s THR 30 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.00 3bag s THR 30 CO 0.00 -0.02 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.11 3bag s VAL 31 N -1.62 1.02 0.00 3.82 1.01 -1.26 -0.55 120.40 122.82 3bag s VAL 31 Ca 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3bag s VAL 31 Cb -0.25 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3bag s VAL 31 CO 0.31 0.33 0.00 -0.90 0.00 0.00 0.00 175.10 174.83 3bag n ASP 32 N 3.74 0.00 -4.31 3.32 5.75 -0.69 -4.43 116.55 119.93 3bag n ASP 32 Ca -0.23 -0.05 -0.22 0.00 -0.01 0.00 0.00 54.79 54.28 3bag n ASP 32 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 3bag n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bag s GLY 33 N -0.05 1.32 0.01 6.12 0.00 0.23 -0.42 107.32 114.53 3bag s GLY 33 Ca 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 44.72 43.28 3bag s GLY 33 CO 0.00 -1.42 0.08 -1.08 0.00 0.00 0.00 173.10 170.67 3bag s THR 34 N -1.73 0.09 -2.50 0.90 -1.32 -0.58 -4.83 115.64 105.67 3bag s THR 34 Ca 0.12 -0.74 0.26 0.00 -1.21 0.00 0.00 61.69 60.12 3bag s THR 34 Cb -0.07 -0.36 0.35 0.00 -1.51 0.00 0.00 72.50 70.91 3bag s THR 34 CO 0.06 -0.40 1.51 0.54 -2.21 0.00 0.00 174.62 174.11 3bag n ARG 35 N 1.58 1.70 -2.54 7.08 1.74 -1.26 -0.17 116.66 124.78 3bag n ARG 35 Ca -0.23 -1.19 -0.41 0.00 -0.77 0.00 0.00 57.85 55.25 3bag n ARG 35 Cb 0.55 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 3bag n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bag s ASP 36 N -2.12 6.16 0.53 0.55 2.15 -1.26 -4.86 116.67 117.82 3bag s ASP 36 Ca 0.31 -0.39 0.35 0.00 0.43 0.00 0.00 52.55 53.25 3bag s ASP 36 Cb 0.20 -2.56 1.76 0.00 -0.30 0.00 0.00 42.92 42.02 3bag s ASP 36 CO 0.37 -1.83 2.06 -0.09 -0.17 0.00 0.00 175.17 175.52 3bag h ARG 37 N 10.10 0.00 -0.01 4.34 1.12 -2.01 -1.59 114.38 126.34 3bag h ARG 37 Ca -0.28 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 3bag h ARG 37 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3bag h ARG 37 CO 1.27 0.00 -0.08 -1.13 -3.11 0.00 0.00 179.97 176.92 3bag n SER 38 N -2.83 0.66 -4.77 -3.80 3.41 -1.26 -4.92 113.62 100.11 3bag n SER 38 Ca -0.01 -0.87 -0.41 0.00 -0.26 0.00 0.00 58.87 57.32 3bag n SER 38 Cb 0.14 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3bag n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bag s ASP 39 N -2.30 6.32 0.00 4.04 -1.08 -0.60 -4.89 116.67 118.16 3bag s ASP 39 Ca 0.34 3.05 0.27 0.00 -0.52 0.00 0.00 52.55 55.69 3bag s ASP 39 Cb 0.20 -2.66 1.27 0.00 -1.46 0.00 0.00 42.92 40.28 3bag s ASP 39 CO 0.43 -0.91 1.86 0.00 0.52 0.00 0.00 175.17 177.08 3bag n GLN 40 N 0.92 1.42 -0.22 4.34 1.13 -1.26 -3.90 117.38 119.81 3bag n GLN 40 Ca 0.03 -0.62 0.06 0.00 -1.94 0.00 0.00 57.00 54.54 3bag n GLN 40 Cb 0.38 -1.46 0.16 0.00 0.11 0.00 0.00 30.24 29.44 3bag n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bag n HIS 41 N -0.23 0.47 0.76 1.08 8.25 -1.26 -4.51 115.22 119.79 3bag n HIS 41 Ca 0.20 -0.71 0.09 0.00 -0.26 0.00 0.00 57.72 57.03 3bag n HIS 41 Cb 0.26 -0.15 0.03 0.00 1.12 0.00 0.00 29.99 31.25 3bag n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bag n ILE 42 N -0.33 0.00 -2.73 1.59 -5.35 -1.25 -2.03 119.36 109.26 3bag n ILE 42 Ca 0.14 -0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 61.79 3bag n ILE 42 Cb 0.59 1.28 -0.03 0.00 -1.74 0.00 0.00 39.64 39.75 3bag n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3bag s GLN 43 N -1.77 4.11 0.05 6.28 1.11 -1.26 -4.47 119.66 123.70 3bag s GLN 43 Ca 0.17 1.04 0.09 0.00 0.01 0.00 0.00 55.36 56.67 3bag s GLN 43 Cb 0.14 -3.70 -0.03 0.00 -1.01 0.00 0.00 33.01 28.42 3bag s GLN 43 CO 0.34 -0.75 -0.26 -0.51 0.01 0.00 0.00 175.29 174.13 3bag s LEU 44 N 3.31 2.18 -0.20 2.90 1.43 0.04 -1.82 118.68 126.51 3bag s LEU 44 Ca 0.41 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3bag s LEU 44 Cb -0.14 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.86 3bag s LEU 44 CO 0.11 0.24 -0.14 -1.58 0.23 0.00 0.00 176.35 175.22 3bag s GLN 45 N -1.29 3.13 0.12 1.70 2.00 0.13 0.41 119.66 125.86 3bag s GLN 45 Ca 0.11 -0.76 -0.00 0.00 -2.00 0.00 0.00 55.36 52.71 3bag s GLN 45 Cb -0.10 -2.75 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 3bag s GLN 45 CO 0.02 -0.21 0.28 -0.51 -0.50 0.00 0.00 175.29 174.37 3bag s LEU 46 N 1.36 4.32 -0.04 3.68 1.02 -1.26 -0.91 118.68 126.84 3bag s LEU 46 Ca 0.05 0.32 -0.12 0.00 0.02 0.00 0.00 54.13 54.41 3bag s LEU 46 Cb -0.14 -3.04 0.02 0.00 0.02 0.00 0.00 46.19 43.05 3bag s LEU 46 CO -0.09 0.09 0.27 -0.94 0.02 0.00 0.00 176.35 175.70 3bag s SER 47 N -2.77 -0.19 -0.17 2.29 1.04 -0.86 -4.78 113.70 108.26 3bag s SER 47 Ca 0.36 0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.82 3bag s SER 47 Cb -0.12 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3bag s SER 47 CO 0.28 -0.31 0.49 0.00 0.98 0.00 0.00 173.24 174.68 3bag s ALA 48 N -0.81 3.52 -0.12 5.32 0.00 -1.26 -1.54 121.76 126.88 3bag s ALA 48 Ca -0.09 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.58 3bag s ALA 48 Cb -0.05 -2.73 -0.24 0.00 0.00 0.00 0.00 23.12 20.11 3bag s ALA 48 CO 0.02 -0.26 0.37 0.39 0.00 0.00 0.00 175.76 176.28 3bag n GLU 49 N 4.34 0.69 -4.01 0.00 -0.58 0.11 -4.97 120.64 116.22 3bag n GLU 49 Ca -0.06 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.81 3bag n GLU 49 Cb 0.51 -1.70 -0.07 0.00 -0.57 0.00 0.00 31.44 29.61 3bag n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3bag s SER 50 N -6.44 0.06 0.09 1.62 0.01 -1.21 -5.02 113.70 102.80 3bag s SER 50 Ca -0.16 -0.97 -0.31 0.00 1.31 0.00 0.00 55.95 55.82 3bag s SER 50 Cb 0.07 0.44 -0.09 0.00 0.21 0.00 0.00 66.02 66.65 3bag s SER 50 CO 0.78 -0.91 1.72 -0.69 0.41 0.00 0.00 173.24 174.54 3bag s VAL 51 N -4.01 2.83 0.00 3.43 1.01 -1.26 -1.05 120.40 121.36 3bag s VAL 51 Ca 0.21 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3bag s VAL 51 Cb 0.03 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3bag s VAL 51 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3bag n GLY 52 N 4.08 0.89 3.30 4.51 0.00 -1.26 -5.02 105.19 111.69 3bag n GLY 52 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3bag n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bag s GLU 53 N -0.21 3.27 0.13 1.61 2.02 -0.21 -1.12 118.70 124.19 3bag s GLU 53 Ca 0.00 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.29 3bag s GLU 53 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 3bag s GLU 53 CO 0.00 0.10 -0.09 0.14 0.02 0.00 0.00 175.26 175.43 3bag s VAL 54 N 0.62 0.98 0.04 2.63 -7.23 0.24 -0.71 120.40 116.95 3bag s VAL 54 Ca -0.08 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 3bag s VAL 54 Cb -0.16 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3bag s VAL 54 CO 0.03 -0.80 0.06 -0.31 -0.31 0.00 0.00 175.10 173.77 3bag s TYR 55 N -3.45 3.19 -0.23 2.82 2.02 -0.59 -1.52 117.35 119.60 3bag s TYR 55 Ca 0.15 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 3bag s TYR 55 Cb 0.04 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.98 3bag s TYR 55 CO -0.02 0.52 -0.09 0.42 -1.57 0.00 0.00 175.55 174.81 3bag s ILE 56 N -1.26 1.75 0.01 2.71 1.01 -1.26 -2.03 121.20 122.13 3bag s ILE 56 Ca 0.25 -1.26 0.08 0.00 0.00 0.00 0.00 60.65 59.72 3bag s ILE 56 Cb -0.12 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3bag s ILE 56 CO 0.17 0.02 -0.25 -0.75 0.00 0.00 0.00 174.94 174.13 3bag s LYS 57 N 1.31 1.89 -0.04 2.79 2.20 -0.09 -0.59 119.74 127.22 3bag s LYS 57 Ca -0.05 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.29 3bag s LYS 57 Cb -0.18 -1.93 -0.05 0.00 -1.51 0.00 0.00 37.83 34.16 3bag s LYS 57 CO -0.07 0.52 1.53 0.45 -0.36 0.00 0.00 175.35 177.42 3bag s SER 58 N -0.86 6.75 0.36 1.43 0.15 0.43 0.21 113.70 122.16 3bag s SER 58 Ca 0.10 2.15 0.18 0.00 0.70 0.00 0.00 55.95 59.08 3bag s SER 58 Cb -0.10 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.23 3bag s SER 58 CO 0.00 -0.85 1.67 0.71 1.20 0.00 0.00 173.24 175.98 3bag h THR 59 N 5.32 0.87 0.10 6.45 1.35 -1.70 0.91 112.91 126.21 3bag h THR 59 Ca -0.37 -1.67 -0.26 0.00 -0.55 0.00 0.00 66.41 63.55 3bag h THR 59 Cb 1.17 2.03 0.01 0.00 -1.73 0.00 0.00 68.15 69.63 3bag h THR 59 CO 0.94 0.39 -1.16 -0.08 -0.25 0.00 0.00 175.52 175.36 3bag h GLU 60 N 0.00 0.35 0.00 4.72 4.57 -1.81 -3.39 114.58 119.02 3bag h GLU 60 Ca -0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3bag h GLU 60 Cb 1.00 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3bag h GLU 60 CO 0.05 1.21 -0.57 0.25 -1.18 0.00 0.00 179.01 178.76 3bag n THR 61 N -3.63 0.00 -0.71 0.32 -2.24 -1.22 -5.02 114.28 101.78 3bag n THR 61 Ca -0.09 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3bag n THR 61 Cb 0.97 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3bag n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bag n GLY 62 N 1.68 1.15 3.79 3.38 0.00 0.31 -5.02 105.19 110.48 3bag n GLY 62 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3bag n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bag s GLN 63 N -0.17 3.45 -0.12 1.61 -0.21 -1.26 -4.68 119.66 118.29 3bag s GLN 63 Ca 0.00 1.41 -0.06 0.00 0.02 0.00 0.00 55.36 56.73 3bag s GLN 63 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3bag s GLN 63 CO 0.00 -0.73 0.10 0.71 -2.12 0.00 0.00 175.29 173.25 3bag s TYR 64 N -2.05 3.46 0.28 0.91 1.51 -0.09 -0.43 117.35 120.94 3bag s TYR 64 Ca 0.68 0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 56.86 3bag s TYR 64 Cb -0.19 -1.91 -0.10 0.00 -0.11 0.00 0.00 41.96 39.65 3bag s TYR 64 CO 0.28 0.63 1.18 -1.17 -1.11 0.00 0.00 175.55 175.36 3bag s LEU 65 N -0.88 4.50 0.04 -1.29 2.96 0.25 -0.24 118.68 124.01 3bag s LEU 65 Ca 0.14 2.40 -0.11 0.00 -0.22 0.00 0.00 54.13 56.34 3bag s LEU 65 Cb -0.12 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.95 3bag s LEU 65 CO 0.03 -0.31 0.23 0.00 -1.32 0.00 0.00 176.35 174.99 3bag s ALA 66 N -0.96 -0.48 -0.15 5.97 0.00 -0.20 -4.36 121.76 121.58 3bag s ALA 66 Ca 0.47 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.28 3bag s ALA 66 Cb -0.35 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3bag s ALA 66 CO 0.44 -0.37 -0.19 1.41 0.00 0.00 0.00 175.76 177.06 3bag s MET 67 N -2.47 3.10 1.00 0.00 1.75 -0.46 -0.64 119.30 121.58 3bag s MET 67 Ca -0.06 -0.80 -0.16 0.00 -1.25 0.00 0.00 55.69 53.42 3bag s MET 67 Cb -0.01 -2.55 0.20 0.00 2.84 0.00 0.00 34.83 35.31 3bag s MET 67 CO -0.03 -0.04 1.24 0.16 -0.65 0.00 0.00 175.02 175.70 3bag s ASP 68 N 0.91 2.75 0.64 1.11 1.47 0.11 -4.79 116.67 118.87 3bag s ASP 68 Ca -0.04 0.48 0.38 0.00 1.18 0.00 0.00 52.55 54.55 3bag s ASP 68 Cb -0.15 -0.67 2.13 0.00 -0.34 0.00 0.00 42.92 43.90 3bag s ASP 68 CO -0.03 -2.98 2.28 0.00 0.68 0.00 0.00 175.17 175.13 3bag h THR 69 N -1.81 0.20 -0.62 2.11 1.03 -2.00 -0.09 112.91 111.74 3bag h THR 69 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 3bag h THR 69 Cb 1.27 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 3bag h THR 69 CO 0.42 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.40 3bag n ASP 70 N -3.36 4.30 0.00 0.00 8.00 -1.26 -4.97 116.55 119.27 3bag n ASP 70 Ca -0.03 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.16 3bag n ASP 70 Cb 0.12 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3bag n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bag n GLY 71 N 1.10 0.54 3.82 0.44 0.00 -0.05 -4.60 105.19 106.43 3bag n GLY 71 Ca 0.24 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3bag n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bag s LEU 72 N 0.00 4.42 0.26 0.99 1.43 -1.26 -0.41 118.68 124.12 3bag s LEU 72 Ca 0.00 0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 53.66 3bag s LEU 72 Cb 0.00 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 3bag s LEU 72 CO 0.00 0.28 0.98 -0.76 0.23 0.00 0.00 176.35 177.08 3bag s LEU 73 N -0.73 4.57 0.16 1.79 1.43 -1.26 -0.72 118.68 123.93 3bag s LEU 73 Ca 0.22 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 3bag s LEU 73 Cb -0.16 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3bag s LEU 73 CO 0.11 0.04 0.34 -0.72 0.23 0.00 0.00 176.35 176.35 3bag s TYR 74 N -1.24 0.20 -0.21 0.29 1.13 0.19 -4.43 117.35 113.28 3bag s TYR 74 Ca 0.43 -0.56 -0.14 0.00 -1.41 0.00 0.00 57.07 55.39 3bag s TYR 74 Cb -0.26 0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 3bag s TYR 74 CO 0.33 -0.75 0.30 0.20 -2.51 0.00 0.00 175.55 173.12 3bag s GLY 75 N -2.92 2.07 -0.10 5.49 0.00 0.06 -1.03 107.32 110.88 3bag s GLY 75 Ca 0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 3bag s GLY 75 CO -0.03 0.62 0.03 -0.45 0.00 0.00 0.00 173.10 173.28 3bag s SER 76 N 0.97 5.45 0.38 1.64 0.15 0.67 -4.70 113.70 118.26 3bag s SER 76 Ca 0.15 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.17 3bag s SER 76 Cb -0.14 -1.63 0.69 0.00 -1.71 0.00 0.00 66.02 63.23 3bag s SER 76 CO 0.06 0.36 1.74 1.56 1.20 0.00 0.00 173.24 178.16 3bag h GLN 77 N 5.31 0.00 -5.39 5.44 1.08 -1.92 -0.22 115.11 119.42 3bag h GLN 77 Ca -0.50 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.29 3bag h GLN 77 Cb 1.20 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.43 3bag h GLN 77 CO 0.57 0.37 -0.77 0.95 -0.95 0.00 0.00 178.83 179.00 3bag s THR 78 N -3.63 1.21 0.17 -0.54 -4.23 -1.26 -4.83 115.64 102.53 3bag s THR 78 Ca -0.00 -1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 3bag s THR 78 Cb 0.11 -1.28 -0.08 0.00 1.34 0.00 0.00 72.50 72.59 3bag s THR 78 CO 0.69 -0.31 1.16 -2.16 -0.54 0.00 0.00 174.62 173.46 3bag s PRO 79 N -2.16 4.53 0.27 3.99 0.04 -1.26 -4.89 135.00 135.53 3bag s PRO 79 Ca 0.03 1.81 0.01 0.00 0.04 0.00 0.00 61.00 62.89 3bag s PRO 79 Cb -0.08 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 3bag s PRO 79 CO 0.02 -0.04 0.33 0.27 0.04 0.00 0.00 177.00 177.63 3bag n ASN 80 N 2.55 -0.89 0.26 6.66 0.23 -1.26 -5.04 115.26 117.77 3bag n ASN 80 Ca 0.04 -2.60 0.15 0.00 -0.53 0.00 0.00 54.58 51.64 3bag n ASN 80 Cb 0.45 1.77 0.86 0.00 -2.08 0.00 0.00 39.78 40.78 3bag n ASN 80 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3bag h GLU 81 N 0.00 0.00 -0.00 -3.83 5.08 -1.99 -1.21 114.58 112.63 3bag h GLU 81 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3bag h GLU 81 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3bag h GLU 81 CO 0.29 0.00 -0.01 0.39 -1.00 0.00 0.00 179.01 178.68 3bag n GLU 82 N -3.93 0.92 0.00 2.33 1.02 -1.26 -3.66 120.64 116.07 3bag n GLU 82 Ca -0.01 -0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.16 3bag n GLU 82 Cb 0.17 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.12 3bag n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bag s LEU 84 N -2.27 4.33 0.07 0.00 1.43 -1.24 -4.46 118.68 116.53 3bag s LEU 84 Ca 0.22 0.79 0.06 0.00 -1.03 0.00 0.00 54.13 54.17 3bag s LEU 84 Cb 0.18 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3bag s LEU 84 CO 0.46 0.11 -0.17 -0.36 0.23 0.00 0.00 176.35 176.62 3bag s PHE 85 N 0.10 1.48 -0.41 0.29 0.08 -0.57 -1.03 117.98 117.92 3bag s PHE 85 Ca 0.23 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.68 3bag s PHE 85 Cb -0.15 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.47 3bag s PHE 85 CO 0.10 0.10 0.58 -0.51 -0.10 0.00 0.00 175.22 175.39 3bag s LEU 86 N -1.55 4.51 -0.25 -0.37 1.43 0.91 -0.60 118.68 122.76 3bag s LEU 86 Ca 0.03 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 3bag s LEU 86 Cb -0.09 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3bag s LEU 86 CO 0.03 -0.67 0.52 -0.70 0.23 0.00 0.00 176.35 175.76 3bag s GLU 87 N 2.61 4.10 0.12 1.70 2.12 -0.28 -1.60 118.70 127.48 3bag s GLU 87 Ca 0.20 0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.92 3bag s GLU 87 Cb -0.15 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3bag s GLU 87 CO 0.17 -0.31 -0.09 1.03 -0.54 0.00 0.00 175.26 175.52 3bag s ARG 88 N 2.17 0.93 0.38 4.30 1.81 -0.38 -4.71 118.95 123.44 3bag s ARG 88 Ca 0.22 -1.32 -0.21 0.00 -1.72 0.00 0.00 55.73 52.69 3bag s ARG 88 Cb -0.16 -0.49 -0.10 0.00 -0.45 0.00 0.00 34.95 33.76 3bag s ARG 88 CO 0.09 0.05 0.90 -1.17 -0.68 0.00 0.00 175.30 174.50 3bag s LEU 89 N -2.90 4.08 -0.03 2.53 2.96 -0.15 -0.84 118.68 124.34 3bag s LEU 89 Ca 0.12 1.65 -0.05 0.00 -0.22 0.00 0.00 54.13 55.63 3bag s LEU 89 Cb 0.01 -4.29 0.01 0.00 0.50 0.00 0.00 46.19 42.42 3bag s LEU 89 CO -0.01 -0.24 0.11 -0.70 -1.32 0.00 0.00 176.35 174.19 3bag s GLU 90 N -2.81 0.25 -1.41 1.98 2.56 0.64 -4.82 118.70 115.10 3bag s GLU 90 Ca 0.57 -0.07 -0.11 0.00 0.00 0.00 0.00 54.97 55.35 3bag s GLU 90 Cb -0.12 0.11 0.09 0.00 2.00 0.00 0.00 34.13 36.21 3bag s GLU 90 CO 0.17 -0.05 0.62 0.39 -0.56 0.00 0.00 175.26 175.83 3bag n GLU 91 N 2.44 -3.77 -2.63 4.30 1.02 -1.26 -0.69 120.64 120.05 3bag n GLU 91 Ca -0.16 0.50 -0.15 0.00 -0.02 0.00 0.00 57.16 57.33 3bag n GLU 91 Cb 0.58 -5.25 -0.00 0.00 -0.02 0.00 0.00 31.44 26.75 3bag n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bag n ASN 92 N -2.44 -3.94 0.00 1.62 4.13 -1.26 -4.56 115.26 108.80 3bag n ASN 92 Ca 0.01 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.34 3bag n ASN 92 Cb 0.53 -3.32 0.00 0.00 -1.54 0.00 0.00 39.78 35.45 3bag n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3bag n HIS 93 N -3.53 -1.66 -2.42 3.10 -0.00 -0.09 -5.16 115.22 105.47 3bag n HIS 93 Ca -0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.37 3bag n HIS 93 Cb 0.60 0.33 0.05 0.00 -0.00 0.00 0.00 29.99 30.97 3bag n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3bag s TYR 94 N -1.72 2.86 -0.12 1.57 1.51 0.14 -4.81 117.35 116.77 3bag s TYR 94 Ca 0.00 0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 3bag s TYR 94 Cb 0.00 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 3bag s TYR 94 CO 0.00 -1.16 -0.00 -0.80 -1.11 0.00 0.00 175.55 172.48 3bag s ASN 95 N -4.48 5.13 0.25 2.29 -0.87 0.72 -0.26 114.94 117.73 3bag s ASN 95 Ca 0.59 0.04 0.11 0.00 -1.57 0.00 0.00 52.86 52.03 3bag s ASN 95 Cb -0.10 -1.63 -0.05 0.00 -0.02 0.00 0.00 41.25 39.44 3bag s ASN 95 CO 0.42 0.28 -0.18 0.42 -2.57 0.00 0.00 177.10 175.46 3bag s THR 96 N -0.30 2.24 -0.19 1.60 -4.23 -0.02 -1.33 115.64 113.42 3bag s THR 96 Ca 0.06 -2.34 -0.03 0.00 -1.18 0.00 0.00 61.69 58.21 3bag s THR 96 Cb -0.12 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.56 3bag s THR 96 CO 0.02 -0.45 0.03 -0.31 -0.54 0.00 0.00 174.62 173.37 3bag s TYR 97 N -2.62 1.06 -0.15 3.99 2.02 -1.26 -1.25 117.35 119.13 3bag s TYR 97 Ca 0.27 -0.84 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 3bag s TYR 97 Cb -0.04 -1.03 -0.05 0.00 -0.40 0.00 0.00 41.96 40.44 3bag s TYR 97 CO 0.12 -0.60 0.16 0.42 -1.57 0.00 0.00 175.55 174.09 3bag s ILE 98 N 1.85 5.43 -0.00 2.71 1.01 -0.63 -1.12 121.20 130.45 3bag s ILE 98 Ca -0.01 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3bag s ILE 98 Cb -0.17 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 3bag s ILE 98 CO -0.08 0.53 2.02 -0.55 0.00 0.00 0.00 174.94 176.86 3bag s SER 99 N -0.35 6.28 0.18 3.58 0.15 0.41 -0.07 113.70 123.89 3bag s SER 99 Ca 0.13 2.56 -0.13 0.00 0.70 0.00 0.00 55.95 59.21 3bag s SER 99 Cb -0.12 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.75 3bag s SER 99 CO 0.02 -1.20 1.81 0.50 1.20 0.00 0.00 173.24 175.56 3bag h LYS 100 N 11.35 0.83 -0.96 5.44 3.64 -1.40 -0.25 116.57 135.21 3bag h LYS 100 Ca -0.49 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 58.88 3bag h LYS 100 Cb 1.24 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 3bag h LYS 100 CO 0.94 0.61 0.62 -0.22 -2.27 0.00 0.00 179.45 179.14 3bag h LYS 101 N 0.82 1.08 -0.59 1.90 1.63 -1.77 -2.64 116.57 117.00 3bag h LYS 101 Ca 0.22 -0.06 -0.37 0.00 -0.85 0.00 0.00 60.65 59.58 3bag h LYS 101 Cb 0.01 -0.24 -0.22 0.00 -0.60 0.00 0.00 32.23 31.17 3bag h LYS 101 CO -0.04 0.71 -0.04 0.72 -3.45 0.00 0.00 179.45 177.35 3bag n HIS 102 N -4.50 1.93 0.07 1.91 8.25 -1.06 -4.74 115.22 117.09 3bag n HIS 102 Ca 0.15 -2.00 0.02 0.00 -0.26 0.00 0.00 57.72 55.63 3bag n HIS 102 Cb 0.20 -0.65 0.39 0.00 1.12 0.00 0.00 29.99 31.04 3bag n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bag h ALA 103 N 1.42 1.54 0.00 -1.41 0.00 -0.66 -1.35 119.26 118.79 3bag h ALA 103 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3bag h ALA 103 Cb 1.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3bag h ALA 103 CO 0.71 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 179.45 3bag n GLU 104 N -4.33 0.15 -0.07 0.00 0.00 -1.26 -1.70 120.64 113.42 3bag n GLU 104 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 57.16 57.70 3bag n GLU 104 Cb 0.21 -1.81 0.13 0.00 0.00 0.00 0.00 31.44 29.98 3bag n GLU 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3bag n LYS 105 N -2.10 2.14 -3.65 3.44 5.02 -0.52 -5.00 118.16 117.51 3bag n LYS 105 Ca 0.02 -1.95 -0.22 0.00 -2.02 0.00 0.00 58.31 54.14 3bag n LYS 105 Cb 0.19 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 3bag n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bag n ASN 106 N 1.26 -2.20 -4.56 4.39 4.13 -0.69 -4.94 115.26 112.65 3bag n ASN 106 Ca 0.15 -0.83 -0.40 0.00 1.68 0.00 0.00 54.58 55.18 3bag n ASN 106 Cb 0.55 -4.12 -0.10 0.00 -1.54 0.00 0.00 39.78 34.57 3bag n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3bag s TRP 107 N -3.61 3.22 0.28 3.10 0.52 -1.25 -4.42 118.94 116.78 3bag s TRP 107 Ca 0.10 -0.01 0.07 0.00 0.02 0.00 0.00 56.10 56.29 3bag s TRP 107 Cb -0.03 -2.53 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 3bag s TRP 107 CO 0.81 -0.32 0.23 -0.06 0.02 0.00 0.00 176.95 177.63 3bag s PHE 108 N 1.86 3.06 0.03 -1.98 0.40 -1.26 -0.44 117.98 119.65 3bag s PHE 108 Ca 0.09 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 55.95 3bag s PHE 108 Cb -0.17 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 3bag s PHE 108 CO 0.11 0.41 1.04 0.08 0.70 0.00 0.00 175.22 177.56 3bag s VAL 109 N -2.18 4.60 -0.03 -0.44 1.01 -0.27 -4.68 120.40 118.40 3bag s VAL 109 Ca 0.35 1.90 -0.27 0.00 0.00 0.00 0.00 61.98 63.97 3bag s VAL 109 Cb -0.07 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3bag s VAL 109 CO 0.26 0.17 0.58 -0.83 0.00 0.00 0.00 175.10 175.27 3bag s GLY 110 N 0.89 -0.47 -0.08 4.51 0.00 -1.26 -4.47 107.32 106.44 3bag s GLY 110 Ca 0.53 1.03 0.04 0.00 0.00 0.00 0.00 44.72 46.32 3bag s GLY 110 CO 0.29 0.71 -0.21 1.08 0.00 0.00 0.00 173.10 174.97 3bag s LEU 111 N -1.28 1.96 0.92 0.66 1.43 -0.68 -0.86 118.68 120.82 3bag s LEU 111 Ca -0.11 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 3bag s LEU 111 Cb -0.01 -1.23 0.17 0.00 0.03 0.00 0.00 46.19 45.15 3bag s LEU 111 CO 0.08 0.14 1.28 0.54 0.23 0.00 0.00 176.35 178.61 3bag s ASN 112 N 0.34 3.47 0.56 2.29 2.20 0.14 -4.50 114.94 119.43 3bag s ASN 112 Ca -0.15 0.35 0.26 0.00 -0.94 0.00 0.00 52.86 52.38 3bag s ASN 112 Cb -0.16 -0.50 1.64 0.00 -2.00 0.00 0.00 41.25 40.22 3bag s ASN 112 CO 0.07 -2.52 2.20 0.11 -2.94 0.00 0.00 177.10 174.02 3bag h LYS 113 N -1.47 0.00 -0.00 3.55 1.57 -1.89 -0.47 116.57 117.87 3bag h LYS 113 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3bag h LYS 113 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3bag h LYS 113 CO 0.44 0.03 -0.01 0.00 -0.57 0.00 0.00 179.45 179.34 3bag n ALA 114 N -2.36 2.57 -0.61 3.86 0.00 -1.26 -4.57 120.51 118.13 3bag n ALA 114 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3bag n ALA 114 Cb 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3bag n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bag n GLY 115 N 1.19 0.67 3.90 0.00 0.00 -0.18 -5.00 105.19 105.77 3bag n GLY 115 Ca 0.17 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3bag n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bag s SER 116 N -2.19 6.31 0.47 1.61 0.01 -1.26 -0.60 113.70 118.05 3bag s SER 116 Ca 0.00 0.30 -0.23 0.00 1.31 0.00 0.00 55.95 57.33 3bag s SER 116 Cb 0.00 -1.95 -0.07 0.00 0.21 0.00 0.00 66.02 64.21 3bag s SER 116 CO 0.00 0.22 1.20 0.00 0.41 0.00 0.00 173.24 175.07 3bag s LYS 118 N -2.74 3.85 0.31 0.00 1.02 -0.04 -4.82 119.74 117.32 3bag s LYS 118 Ca 0.65 0.36 -0.27 0.00 0.02 0.00 0.00 55.97 56.74 3bag s LYS 118 Cb -0.30 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 3bag s LYS 118 CO 0.37 0.29 0.96 0.50 -0.92 0.00 0.00 175.35 176.55 3bag s ARG 119 N -2.81 4.60 0.21 1.68 3.52 -1.26 -4.68 118.95 120.20 3bag s ARG 119 Ca 0.48 1.40 -0.21 0.00 -0.13 0.00 0.00 55.73 57.27 3bag s ARG 119 Cb -0.11 -2.89 0.14 0.00 -1.56 0.00 0.00 34.95 30.54 3bag s ARG 119 CO 0.20 0.28 1.53 0.41 -0.81 0.00 0.00 175.30 176.92 3bag n GLY 120 N 0.75 -2.20 0.34 8.12 0.00 0.45 -0.28 105.19 112.37 3bag n GLY 120 Ca 0.01 1.13 0.22 0.00 0.00 0.00 0.00 46.02 47.38 3bag n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bag h PRO 121 N 0.00 0.00 -0.03 1.61 0.11 -1.88 -1.41 132.00 130.40 3bag h PRO 121 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3bag h PRO 121 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3bag h PRO 121 CO -0.97 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.36 3bag n ARG 122 N -3.10 1.54 -4.00 1.05 5.12 0.62 -4.87 116.66 113.02 3bag n ARG 122 Ca -0.03 -0.79 -0.21 0.00 -1.93 0.00 0.00 57.85 54.89 3bag n ARG 122 Cb 0.11 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 29.91 3bag n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bag s THR 123 N -1.98 4.45 -0.15 0.55 -4.23 -0.53 -4.93 115.64 108.82 3bag s THR 123 Ca 0.39 -1.29 -0.34 0.00 -1.18 0.00 0.00 61.69 59.27 3bag s THR 123 Cb 0.21 -3.46 0.13 0.00 1.34 0.00 0.00 72.50 70.72 3bag s THR 123 CO 0.33 -0.31 1.21 -1.38 -0.54 0.00 0.00 174.62 173.93 3bag s HIS 124 N -2.13 -0.12 0.45 3.99 -3.43 -1.26 -4.84 115.29 107.94 3bag s HIS 124 Ca 0.35 0.06 -0.23 0.00 -0.80 0.00 0.00 55.06 54.43 3bag s HIS 124 Cb -0.08 0.52 -0.10 0.00 -1.43 0.00 0.00 32.58 31.50 3bag s HIS 124 CO 0.26 -0.23 0.98 0.66 -2.00 0.00 0.00 174.74 174.41 3bag n TYR 125 N -0.17 1.03 0.00 0.38 4.01 -1.26 -2.71 117.16 118.44 3bag n TYR 125 Ca -0.01 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 3bag n TYR 125 Cb 0.59 -2.20 0.00 0.00 -0.31 0.00 0.00 39.34 37.42 3bag n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bag n GLY 126 N 1.23 1.50 3.83 2.72 0.00 -1.26 -5.06 105.19 108.15 3bag n GLY 126 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3bag n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bag s GLN 127 N -0.81 3.96 0.28 1.61 -0.21 -1.10 -4.96 119.66 118.42 3bag s GLN 127 Ca 0.00 1.03 0.15 0.00 0.02 0.00 0.00 55.36 56.56 3bag s GLN 127 Cb 0.00 -2.14 0.06 0.00 1.00 0.00 0.00 33.01 31.93 3bag s GLN 127 CO 0.00 -0.26 1.43 0.87 -2.12 0.00 0.00 175.29 175.21 3bag h LYS 128 N 1.14 0.00 0.00 2.91 1.79 -1.97 -3.31 116.57 117.12 3bag h LYS 128 Ca -0.47 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 3bag h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3bag h LYS 128 CO 0.61 0.49 -0.06 0.00 -1.08 0.00 0.00 179.45 179.41 3bag h ALA 129 N 1.50 1.21 -0.02 3.86 0.00 -1.93 -2.71 119.26 121.17 3bag h ALA 129 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3bag h ALA 129 Cb 1.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3bag h ALA 129 CO 0.06 0.08 -0.04 0.44 0.00 0.00 0.00 179.25 179.80 3bag n ILE 130 N -3.47 0.00 -3.28 0.00 -5.35 -1.25 -1.69 119.36 104.33 3bag n ILE 130 Ca -0.02 -0.26 -0.40 0.00 -0.27 0.00 0.00 62.75 61.80 3bag n ILE 130 Cb 0.20 0.60 -0.08 0.00 -1.74 0.00 0.00 39.64 38.62 3bag n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bag s LEU 131 N -2.07 4.14 0.14 7.28 1.43 -1.02 -4.43 118.68 124.15 3bag s LEU 131 Ca 0.35 0.29 0.11 0.00 -1.03 0.00 0.00 54.13 53.85 3bag s LEU 131 Cb 0.21 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3bag s LEU 131 CO 0.36 -0.32 -0.25 -0.36 0.23 0.00 0.00 176.35 176.01 3bag s PHE 132 N 2.27 2.34 -0.14 0.29 0.40 -0.44 -3.94 117.98 118.75 3bag s PHE 132 Ca 0.19 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 3bag s PHE 132 Cb -0.16 -1.24 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3bag s PHE 132 CO 0.11 0.38 -0.17 -0.51 0.70 0.00 0.00 175.22 175.72 3bag s LEU 133 N -2.22 1.88 -0.18 -0.37 1.43 0.09 -0.20 118.68 119.12 3bag s LEU 133 Ca 0.16 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 3bag s LEU 133 Cb -0.10 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3bag s LEU 133 CO 0.07 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 3bag s PRO 134 N 1.15 4.29 0.22 1.29 0.04 -1.26 -1.15 135.00 139.58 3bag s PRO 134 Ca -0.01 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.56 3bag s PRO 134 Cb -0.14 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 3bag s PRO 134 CO -0.06 -0.57 -0.04 -0.51 0.04 0.00 0.00 177.00 175.85 3bag s LEU 135 N 2.96 3.12 0.55 -3.56 1.43 0.72 -4.91 118.68 119.00 3bag s LEU 135 Ca 0.48 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 3bag s LEU 135 Cb -0.18 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 3bag s LEU 135 CO 0.11 0.06 1.14 -2.84 0.23 0.00 0.00 176.35 175.05 3bag s PRO 136 N -3.21 3.32 0.00 1.29 0.02 -1.26 -0.52 135.00 134.63 3bag s PRO 136 Ca 0.28 1.65 0.32 0.00 0.02 0.00 0.00 61.00 63.27 3bag s PRO 136 Cb -0.08 -2.01 1.91 0.00 0.02 0.00 0.00 34.50 34.34 3bag s PRO 136 CO 0.18 -0.89 2.23 1.33 -0.33 0.00 0.00 177.00 179.52