#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x s VAL 2 N 0.00 2.78 0.08 3.17 -7.23 -1.26 -4.94 120.40 113.00 2k3x s VAL 2 Ca 0.00 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2k3x s VAL 2 Cb 0.00 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2k3x s VAL 2 CO 0.00 -0.22 0.00 -0.67 -0.31 0.00 0.00 175.10 173.90 2k3x n ASP 3 N -2.64 -0.55 0.00 4.85 2.03 -1.26 -4.93 116.55 114.06 2k3x n ASP 3 Ca 0.12 0.15 0.05 0.00 0.52 0.00 0.00 54.79 55.63 2k3x n ASP 3 Cb 0.51 0.79 0.24 0.00 -0.72 0.00 0.00 41.12 41.94 2k3x n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k3x n LEU 4 N -2.69 0.00 0.12 -2.67 -0.00 -1.26 -2.07 117.00 108.44 2k3x n LEU 4 Ca 0.00 0.48 0.09 0.00 -0.00 0.00 0.00 56.01 56.58 2k3x n LEU 4 Cb 0.00 -0.48 0.46 0.00 -0.00 0.00 0.00 43.42 43.41 2k3x n LEU 4 CO 0.00 -0.30 0.78 -0.62 -0.00 0.00 0.00 177.39 177.25 2k3x n GLU 5 N -1.48 0.12 0.20 1.47 -0.58 -1.26 -1.32 120.64 117.79 2k3x n GLU 5 Ca 0.03 0.55 0.05 0.00 -0.42 0.00 0.00 57.16 57.37 2k3x n GLU 5 Cb 0.12 -1.85 0.42 0.00 -0.57 0.00 0.00 31.44 29.56 2k3x n GLU 5 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2k3x h GLN 6 N 0.00 0.00 -7.22 3.49 4.15 -1.64 -3.40 115.11 110.49 2k3x h GLN 6 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 2k3x h GLN 6 Cb 0.09 0.00 0.13 0.00 0.21 0.00 0.00 27.48 27.91 2k3x h GLN 6 CO 0.00 0.33 0.36 -1.21 -1.93 0.00 0.00 178.83 176.38 2k3x s GLU 7 N -4.08 2.43 0.54 1.69 2.02 -0.44 -4.36 118.70 116.50 2k3x s GLU 7 Ca -0.02 1.44 -0.21 0.00 0.02 0.00 0.00 54.97 56.19 2k3x s GLU 7 Cb 0.13 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 32.41 2k3x s GLU 7 CO 0.69 -1.55 1.20 1.97 0.02 0.00 0.00 175.26 177.59 2k3x n PHE 8 N -2.82 1.73 -4.14 1.61 -1.74 -1.26 -4.69 117.46 106.16 2k3x n PHE 8 Ca 0.11 0.45 -0.09 0.00 -0.56 0.00 0.00 57.45 57.36 2k3x n PHE 8 Cb 0.52 -2.28 -0.10 0.00 1.52 0.00 0.00 39.48 39.13 2k3x n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3x s ALA 9 N -1.34 0.79 -1.07 1.98 0.00 -1.26 -4.96 121.76 115.89 2k3x s ALA 9 Ca 0.71 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 2k3x s ALA 9 Cb -0.44 0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2k3x s ALA 9 CO 0.50 -0.29 1.66 -0.51 0.00 0.00 0.00 175.76 177.12 2k3x s LEU 10 N -2.99 3.46 0.00 0.00 1.43 -1.26 -0.68 118.68 118.64 2k3x s LEU 10 Ca 0.10 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 2k3x s LEU 10 Cb 0.06 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2k3x s LEU 10 CO -0.07 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.27 2k3x n GLY 11 N 6.45 1.01 3.73 -3.19 0.00 -1.20 -5.02 105.19 106.98 2k3x n GLY 11 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 2k3x n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3x s GLY 12 N -2.00 1.78 0.62 -0.02 0.00 0.15 -4.81 107.32 103.03 2k3x s GLY 12 Ca 0.00 1.43 -0.14 0.00 0.00 0.00 0.00 44.72 46.01 2k3x s GLY 12 CO 0.00 2.57 1.06 -1.60 0.00 0.00 0.00 173.10 175.13 2k3x s ARG 13 N 0.51 3.21 0.28 2.90 3.52 -1.26 -1.46 118.95 126.65 2k3x s ARG 13 Ca 0.67 1.14 0.04 0.00 -0.13 0.00 0.00 55.73 57.45 2k3x s ARG 13 Cb -0.45 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 2k3x s ARG 13 CO 0.37 -0.89 0.20 0.00 -0.81 0.00 0.00 175.30 174.17 2k3x s LEU 15 N -3.30 1.54 -0.10 0.00 2.01 -0.15 -0.19 118.68 118.49 2k3x s LEU 15 Ca 0.39 -0.14 -0.00 0.00 0.01 0.00 0.00 54.13 54.38 2k3x s LEU 15 Cb 0.05 -0.46 0.02 0.00 0.01 0.00 0.00 46.19 45.81 2k3x s LEU 15 CO 0.20 -0.01 -0.06 0.00 1.01 0.00 0.00 176.35 177.49 2k3x s ALA 16 N 0.59 1.16 0.53 4.21 0.00 -0.34 -1.00 121.76 126.91 2k3x s ALA 16 Ca -0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 2k3x s ALA 16 Cb -0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 2k3x s ALA 16 CO 0.00 -0.38 0.95 -0.06 0.00 0.00 0.00 175.76 176.27 2k3x s PHE 17 N 1.67 3.52 0.00 0.00 0.08 -0.12 -1.44 117.98 121.69 2k3x s PHE 17 Ca 0.03 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.37 2k3x s PHE 17 Cb -0.13 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 2k3x s PHE 17 CO -0.06 -0.42 0.00 0.72 -0.10 0.00 0.00 175.22 175.36 2k3x n HIS 18 N -1.96 0.00 0.00 0.36 8.25 -0.66 -4.82 115.22 116.40 2k3x n HIS 18 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2k3x n HIS 18 Cb 0.54 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.82 2k3x n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3x n GLY 19 N 2.34 0.06 0.28 -1.41 0.00 -1.26 -4.93 105.19 100.27 2k3x n GLY 19 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2k3x n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x h PRO 20 N 0.00 0.71 0.00 1.61 0.13 -2.04 -3.46 132.00 128.95 2k3x h PRO 20 Ca 0.00 -0.19 -0.16 0.00 -0.87 0.00 0.00 66.00 64.78 2k3x h PRO 20 Cb 0.00 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.01 2k3x h PRO 20 CO 0.00 0.75 -0.10 -0.11 -0.23 0.00 0.00 178.00 178.31 2k3x n LEU 21 N -4.21 0.00 -4.41 1.56 7.94 -1.26 -5.04 117.00 111.58 2k3x n LEU 21 Ca 0.02 -1.48 -0.24 0.00 -1.11 0.00 0.00 56.01 53.19 2k3x n LEU 21 Cb 0.31 1.23 -0.11 0.00 0.53 0.00 0.00 43.42 45.37 2k3x n LEU 21 CO 0.41 -0.32 -0.50 -0.32 -1.11 0.00 0.00 177.39 175.55 2k3x s MET 22 N -2.45 1.48 0.03 1.96 -2.45 -1.26 -1.65 119.30 114.96 2k3x s MET 22 Ca 0.16 -1.55 0.04 0.00 -1.25 0.00 0.00 55.69 53.08 2k3x s MET 22 Cb -0.00 -1.65 -0.02 0.00 1.25 0.00 0.00 34.83 34.41 2k3x s MET 22 CO 0.11 0.34 -0.12 0.71 1.05 0.00 0.00 175.02 177.11 2k3x s TYR 23 N -2.04 1.02 0.60 4.11 2.02 -0.52 -4.96 117.35 117.57 2k3x s TYR 23 Ca 0.22 -0.34 -0.19 0.00 -0.37 0.00 0.00 57.07 56.38 2k3x s TYR 23 Cb -0.06 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 2k3x s TYR 23 CO 0.10 0.01 1.24 -1.21 -1.57 0.00 0.00 175.55 174.11 2k3x s GLU 24 N -1.07 2.92 0.23 -0.62 2.02 -1.26 -1.19 118.70 119.73 2k3x s GLU 24 Ca -0.01 1.91 0.04 0.00 0.02 0.00 0.00 54.97 56.93 2k3x s GLU 24 Cb -0.07 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 2k3x s GLU 24 CO 0.01 -1.27 -0.01 0.00 0.02 0.00 0.00 175.26 174.01 2k3x s ALA 25 N -1.52 1.84 -0.28 5.21 0.00 0.74 -0.84 121.76 126.91 2k3x s ALA 25 Ca 0.78 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2k3x s ALA 25 Cb -0.33 0.47 0.17 0.00 0.00 0.00 0.00 23.12 23.43 2k3x s ALA 25 CO 0.36 -0.24 0.48 0.21 0.00 0.00 0.00 175.76 176.57 2k3x s LYS 26 N -3.85 0.47 0.29 0.00 2.20 -0.83 -0.52 119.74 117.49 2k3x s LYS 26 Ca 0.28 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 2k3x s LYS 26 Cb 0.05 -0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 2k3x s LYS 26 CO 0.09 -0.87 1.26 0.42 -0.36 0.00 0.00 175.35 175.88 2k3x s ILE 27 N 2.67 3.01 0.17 5.43 1.01 -0.54 -1.50 121.20 131.46 2k3x s ILE 27 Ca 0.13 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2k3x s ILE 27 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2k3x s ILE 27 CO -0.24 0.21 0.00 -0.11 0.00 0.00 0.00 174.94 174.80 2k3x n LEU 28 N 1.36 0.01 -4.68 2.97 0.00 -0.50 -3.23 117.00 112.93 2k3x n LEU 28 Ca 0.01 0.29 -0.37 0.00 0.00 0.00 0.00 56.01 55.94 2k3x n LEU 28 Cb 0.43 0.20 -0.09 0.00 0.00 0.00 0.00 43.42 43.96 2k3x n LEU 28 CO 0.58 -0.69 -0.09 -0.75 0.00 0.00 0.00 177.39 176.44 2k3x s LYS 29 N -1.63 4.13 0.05 1.96 2.20 -1.17 -4.24 119.74 121.04 2k3x s LYS 29 Ca 0.00 -0.11 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2k3x s LYS 29 Cb 0.00 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2k3x s LYS 29 CO 0.00 0.08 -0.21 0.96 -0.36 0.00 0.00 175.35 175.82 2k3x s ILE 30 N 0.98 1.69 0.06 5.43 -0.00 0.24 -0.33 121.20 129.27 2k3x s ILE 30 Ca 0.11 -1.22 0.05 0.00 -0.00 0.00 0.00 60.65 59.59 2k3x s ILE 30 Cb -0.13 -1.47 -0.03 0.00 -0.00 0.00 0.00 42.46 40.83 2k3x s ILE 30 CO 0.04 0.20 -0.13 0.86 -0.00 0.00 0.00 174.94 175.91 2k3x s TRP 31 N -0.81 1.16 -0.11 1.37 -0.11 0.28 -0.51 118.94 120.20 2k3x s TRP 31 Ca 0.08 -0.43 -0.04 0.00 1.22 0.00 0.00 56.10 56.93 2k3x s TRP 31 Cb -0.09 -0.66 0.06 0.00 -1.50 0.00 0.00 33.47 31.27 2k3x s TRP 31 CO 0.02 0.04 0.20 0.34 -4.62 0.00 0.00 176.95 172.93 2k3x s ASP 32 N -1.55 0.65 0.00 5.86 -1.08 -1.21 -1.66 116.67 117.68 2k3x s ASP 32 Ca -0.02 0.39 0.08 0.00 -0.52 0.00 0.00 52.55 52.48 2k3x s ASP 32 Cb -0.09 0.43 0.39 0.00 -1.46 0.00 0.00 42.92 42.19 2k3x s ASP 32 CO 0.02 -0.25 1.13 -0.81 0.52 0.00 0.00 175.17 175.78 2k3x n PRO 33 N 5.33 0.10 0.26 4.34 -0.04 -1.26 -2.61 135.00 141.13 2k3x n PRO 33 Ca -0.05 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 2k3x n PRO 33 Cb 0.50 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.16 2k3x n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3x h SER 34 N 0.00 0.00 0.00 3.54 0.02 -1.93 -3.05 113.55 112.13 2k3x h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 34 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2k3x h SER 34 CO 0.00 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.23 2k3x n SER 35 N -4.07 0.13 -4.07 3.07 3.41 -1.20 -5.03 113.62 105.86 2k3x n SER 35 Ca -0.03 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.80 2k3x n SER 35 Cb 0.17 0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 64.71 2k3x n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3x n LYS 36 N -0.64 -2.04 -4.17 4.33 5.02 -1.07 -5.00 118.16 114.58 2k3x n LYS 36 Ca 0.00 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.43 2k3x n LYS 36 Cb 0.01 -3.99 -0.08 0.00 -0.02 0.00 0.00 35.03 30.95 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3x s MET 37 N -6.88 1.44 0.00 1.97 -1.94 -1.25 -4.92 119.30 107.72 2k3x s MET 37 Ca 0.08 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.40 2k3x s MET 37 Cb -0.04 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.13 2k3x s MET 37 CO 0.93 -0.52 0.00 2.48 -0.01 0.00 0.00 175.02 177.90 2k3x n TYR 38 N -0.39 -0.50 -3.55 -0.03 0.18 -1.26 -3.35 117.16 108.26 2k3x n TYR 38 Ca 0.02 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.74 2k3x n TYR 38 Cb 0.64 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.58 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2k3x s THR 39 N 1.08 0.00 0.18 -3.48 -4.23 0.33 -3.41 115.64 106.10 2k3x s THR 39 Ca 0.00 -0.03 -0.24 0.00 -1.18 0.00 0.00 61.69 60.24 2k3x s THR 39 Cb 0.00 -1.07 0.05 0.00 1.34 0.00 0.00 72.50 72.83 2k3x s THR 39 CO 0.00 0.00 0.83 -0.55 -0.54 0.00 0.00 174.62 174.36 2k3x s SER 40 N -2.40 -0.27 0.07 3.99 0.15 -1.20 -0.59 113.70 113.44 2k3x s SER 40 Ca 0.07 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.39 2k3x s SER 40 Cb -0.01 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 2k3x s SER 40 CO -0.07 -1.03 -0.15 0.27 1.20 0.00 0.00 173.24 173.46 2k3x s ILE 41 N -3.54 1.18 -1.24 6.45 -5.25 -1.26 -1.20 121.20 116.33 2k3x s ILE 41 Ca 0.10 -1.26 0.24 0.00 -0.99 0.00 0.00 60.65 58.75 2k3x s ILE 41 Cb -0.03 -1.11 0.33 0.00 2.95 0.00 0.00 42.46 44.60 2k3x s ILE 41 CO 0.01 -0.15 1.80 -0.81 -1.79 0.00 0.00 174.94 174.00 2k3x n PRO 42 N 1.41 0.20 0.00 0.37 -0.04 -1.14 -3.91 135.00 131.88 2k3x n PRO 42 Ca -0.20 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2k3x n PRO 42 Cb 0.54 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.91 2k3x n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3x n ASN 43 N -1.38 0.00 -4.24 3.54 2.85 -1.26 -4.46 115.26 110.31 2k3x n ASN 43 Ca 0.09 -0.44 -0.13 0.00 -0.11 0.00 0.00 54.58 53.99 2k3x n ASN 43 Cb 0.23 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.15 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3x s ASP 44 N -1.99 0.89 -0.07 1.20 2.15 -1.25 -5.07 116.67 112.53 2k3x s ASP 44 Ca 0.21 -1.26 0.03 0.00 0.43 0.00 0.00 52.55 51.96 2k3x s ASP 44 Cb 0.09 0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.92 2k3x s ASP 44 CO 0.16 -0.68 -0.16 -0.75 -0.17 0.00 0.00 175.17 173.57 2k3x s LYS 45 N -4.00 2.07 0.88 4.34 2.20 -1.26 -2.12 119.74 121.84 2k3x s LYS 45 Ca 0.29 -0.58 -0.13 0.00 -0.36 0.00 0.00 55.97 55.20 2k3x s LYS 45 Cb 0.07 -1.67 0.12 0.00 -1.51 0.00 0.00 37.83 34.84 2k3x s LYS 45 CO 0.07 0.12 1.18 -1.25 -0.36 0.00 0.00 175.35 175.11 2k3x s PRO 46 N 0.44 1.41 0.57 4.03 0.04 -1.26 -4.91 135.00 135.31 2k3x s PRO 46 Ca -0.13 0.09 0.32 0.00 0.04 0.00 0.00 61.00 61.32 2k3x s PRO 46 Cb -0.15 -1.89 1.73 0.00 0.04 0.00 0.00 34.50 34.23 2k3x s PRO 46 CO 0.05 -1.98 2.17 0.78 0.04 0.00 0.00 177.00 178.06 2k3x h GLY 47 N -1.33 0.00 -0.30 0.56 0.00 -1.97 -3.31 103.07 96.72 2k3x h GLY 47 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2k3x h GLY 47 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2k3x n GLY 48 N -0.85 -0.82 3.19 4.60 0.00 -1.26 -4.89 105.19 105.17 2k3x n GLY 48 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2k3x n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x s SER 49 N -0.35 0.24 0.41 1.61 0.01 -1.25 -5.07 113.70 109.30 2k3x s SER 49 Ca 0.04 -0.93 0.12 0.00 1.31 0.00 0.00 55.95 56.49 2k3x s SER 49 Cb 0.03 0.32 0.85 0.00 0.21 0.00 0.00 66.02 67.43 2k3x s SER 49 CO 0.05 -0.74 1.93 0.28 0.41 0.00 0.00 173.24 175.17 2k3x h SER 50 N 2.83 0.11 -4.66 2.44 0.02 -1.97 -3.38 113.55 108.95 2k3x h SER 50 Ca -0.34 -0.02 0.16 0.00 -0.84 0.00 0.00 61.79 60.75 2k3x h SER 50 Cb 1.19 -0.03 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 2k3x h SER 50 CO 0.57 0.31 0.58 -1.58 -1.14 0.00 0.00 176.83 175.58 2k3x s GLN 51 N -4.62 0.72 0.63 3.45 0.74 -1.26 -4.89 119.66 114.43 2k3x s GLN 51 Ca -0.05 -0.29 -0.17 0.00 0.05 0.00 0.00 55.36 54.91 2k3x s GLN 51 Cb 0.15 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.57 2k3x s GLN 51 CO 0.72 -0.32 1.14 0.00 -0.55 0.00 0.00 175.29 176.28 2k3x s ALA 52 N -2.94 2.48 0.76 1.58 0.00 -0.90 -4.77 121.76 117.97 2k3x s ALA 52 Ca 0.07 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 2k3x s ALA 52 Cb -0.01 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.80 2k3x s ALA 52 CO -0.07 -1.23 1.15 0.99 0.00 0.00 0.00 175.76 176.60 2k3x s THR 53 N -2.04 2.67 0.70 0.00 2.01 -1.26 -4.37 115.64 113.35 2k3x s THR 53 Ca 0.71 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.82 2k3x s THR 53 Cb -0.24 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2k3x s THR 53 CO 0.37 -0.23 0.56 0.29 -0.69 0.00 0.00 174.62 174.93 2k3x n LYS 54 N -3.16 0.35 -0.39 4.92 5.02 -1.26 -2.90 118.16 120.74 2k3x n LYS 54 Ca 0.11 0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 56.48 2k3x n LYS 54 Cb 0.52 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2k3x n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k3x n GLU 55 N -0.72 0.00 -2.59 1.97 1.02 -1.26 -4.76 120.64 114.31 2k3x n GLU 55 Ca 0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2k3x n GLU 55 Cb 0.49 -0.33 -0.03 0.00 -0.02 0.00 0.00 31.44 31.56 2k3x n GLU 55 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k3x s ILE 56 N 1.28 4.53 0.50 -3.67 1.01 -0.34 -4.96 121.20 119.55 2k3x s ILE 56 Ca 0.35 1.82 -0.17 0.00 0.00 0.00 0.00 60.65 62.65 2k3x s ILE 56 Cb -0.28 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 2k3x s ILE 56 CO 0.14 0.06 0.98 -0.54 0.00 0.00 0.00 174.94 175.57 2k3x s LYS 57 N 1.69 3.99 0.07 2.79 3.01 -1.26 -3.27 119.74 126.75 2k3x s LYS 57 Ca 0.53 0.98 -0.34 0.00 -1.01 0.00 0.00 55.97 56.13 2k3x s LYS 57 Cb -0.22 -2.14 -0.13 0.00 -1.01 0.00 0.00 37.83 34.33 2k3x s LYS 57 CO 0.23 -0.24 1.72 -2.30 0.51 0.00 0.00 175.35 175.28 2k3x n PRO 58 N -1.45 2.26 -3.97 -1.68 -0.02 -1.22 -4.70 135.00 124.22 2k3x n PRO 58 Ca 0.07 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 2k3x n PRO 58 Cb 0.54 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 2k3x n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k3x s GLN 59 N 2.27 0.57 0.38 -0.52 -1.52 -1.26 -4.96 119.66 114.61 2k3x s GLN 59 Ca 0.84 -0.85 -0.25 0.00 -1.95 0.00 0.00 55.36 53.15 2k3x s GLN 59 Cb -0.65 0.22 -0.12 0.00 -0.22 0.00 0.00 33.01 32.23 2k3x s GLN 59 CO 0.42 -0.13 0.93 1.63 -0.25 0.00 0.00 175.29 177.89 2k3x n LYS 60 N 0.69 1.20 -4.35 2.91 5.02 -1.26 -4.22 118.16 118.15 2k3x n LYS 60 Ca -0.18 0.43 -0.30 0.00 -2.02 0.00 0.00 58.31 56.23 2k3x n LYS 60 Cb 0.59 -1.88 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 2k3x n LYS 60 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k3x n LEU 61 N 0.87 0.00 0.00 -0.35 -0.00 -1.26 -4.94 117.00 111.33 2k3x n LEU 61 Ca 0.10 -3.11 0.00 0.00 -0.00 0.00 0.00 56.01 53.00 2k3x n LEU 61 Cb 0.37 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2k3x n LEU 61 CO 0.57 -0.52 0.00 0.61 -0.00 0.00 0.00 177.39 178.05 2k3x n GLY 62 N -1.47 1.97 0.19 1.47 0.00 -1.26 -5.05 105.19 101.05 2k3x n GLY 62 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 2k3x n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3x h GLU 63 N 0.00 0.67 0.00 1.61 4.39 -2.02 -3.42 114.58 115.81 2k3x h GLU 63 Ca 0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.99 2k3x h GLU 63 Cb 0.00 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k3x h GLU 63 CO 0.00 1.29 -0.01 -3.47 -1.16 0.00 0.00 179.01 175.66 2k3x n ASP 64 N -3.84 0.00 -3.86 1.42 2.03 -1.26 -5.15 116.55 105.89 2k3x n ASP 64 Ca -0.10 -1.03 -0.09 0.00 0.52 0.00 0.00 54.79 54.09 2k3x n ASP 64 Cb 0.87 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 41.21 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3x s GLU 65 N 0.00 1.32 -0.27 -0.67 1.03 -1.26 -5.08 118.70 113.77 2k3x s GLU 65 Ca 0.00 -1.03 -0.23 0.00 0.03 0.00 0.00 54.97 53.74 2k3x s GLU 65 Cb 0.00 0.46 0.07 0.00 -0.80 0.00 0.00 34.13 33.86 2k3x s GLU 65 CO 0.00 -0.53 0.72 -1.54 -1.33 0.00 0.00 175.26 172.58 2k3x s SER 66 N -2.93 -0.78 -0.23 0.83 1.04 -1.26 -4.02 113.70 106.36 2k3x s SER 66 Ca 0.14 1.44 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 2k3x s SER 66 Cb 0.01 1.44 -0.03 0.00 0.10 0.00 0.00 66.02 67.53 2k3x s SER 66 CO -0.00 -0.24 0.45 0.27 0.98 0.00 0.00 173.24 174.70 2k3x s ILE 67 N 0.61 5.14 0.61 -1.02 -0.00 -1.26 -4.82 121.20 120.46 2k3x s ILE 67 Ca -0.02 0.78 -0.16 0.00 -0.00 0.00 0.00 60.65 61.25 2k3x s ILE 67 Cb -0.05 -3.77 -0.03 0.00 -0.00 0.00 0.00 42.46 38.61 2k3x s ILE 67 CO -0.03 0.17 1.10 -2.16 -0.00 0.00 0.00 174.94 174.02 2k3x s PRO 68 N 1.83 3.08 0.62 0.37 0.04 -1.26 -4.87 135.00 134.81 2k3x s PRO 68 Ca 0.20 1.41 0.33 0.00 0.04 0.00 0.00 61.00 62.98 2k3x s PRO 68 Cb -0.15 -1.99 1.85 0.00 0.04 0.00 0.00 34.50 34.26 2k3x s PRO 68 CO 0.09 -1.03 2.15 0.93 0.04 0.00 0.00 177.00 179.18 2k3x h GLU 69 N 0.47 0.00 -0.94 4.56 5.08 -1.99 -1.61 114.58 120.15 2k3x h GLU 69 Ca -0.48 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 57.99 2k3x h GLU 69 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 2k3x h GLU 69 CO 0.56 0.00 0.60 1.49 -1.00 0.00 0.00 179.01 180.66 2k3x h GLU 70 N 0.00 0.89 0.00 2.33 4.57 -2.04 -3.16 114.58 117.16 2k3x h GLU 70 Ca 0.04 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 2k3x h GLU 70 Cb 0.36 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2k3x h GLU 70 CO -0.00 0.59 -2.01 0.44 -1.18 0.00 0.00 179.01 176.85 2k3x n ILE 71 N -4.56 0.79 -0.34 2.32 -5.35 -0.63 -4.70 119.36 106.89 2k3x n ILE 71 Ca 0.17 -0.60 0.18 0.00 -0.27 0.00 0.00 62.75 62.23 2k3x n ILE 71 Cb 0.34 -0.39 0.40 0.00 -1.74 0.00 0.00 39.64 38.25 2k3x n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3x h ILE 72 N 0.00 0.58 0.00 7.28 2.04 -1.45 -2.14 117.51 123.81 2k3x h ILE 72 Ca -0.31 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2k3x h ILE 72 Cb 1.65 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2k3x h ILE 72 CO 0.02 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 177.81 2k3x n ASN 73 N -4.78 0.00 -3.41 1.72 0.23 -1.26 -4.11 115.26 103.66 2k3x n ASN 73 Ca 0.25 -0.57 -0.16 0.00 -0.53 0.00 0.00 54.58 53.58 2k3x n ASN 73 Cb 0.73 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.37 2k3x n ASN 73 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2k3x s GLY 74 N -1.81 1.68 -0.00 4.83 0.00 -0.81 -4.95 107.32 106.26 2k3x s GLY 74 Ca 0.09 -1.66 -0.37 0.00 0.00 0.00 0.00 44.72 42.78 2k3x s GLY 74 CO 0.07 -1.15 1.51 0.28 0.00 0.00 0.00 173.10 173.80 2k3x n LYS 75 N -0.54 1.36 -4.53 2.90 4.76 -1.26 -4.50 118.16 116.35 2k3x n LYS 75 Ca 0.03 0.49 -0.28 0.00 -2.87 0.00 0.00 58.31 55.68 2k3x n LYS 75 Cb 0.62 -2.18 -0.13 0.00 -1.84 0.00 0.00 35.03 31.50 2k3x n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3x s PHE 77 N -0.99 1.13 -0.27 0.00 0.08 -0.18 -0.56 117.98 117.19 2k3x s PHE 77 Ca 0.12 -0.74 -0.29 0.00 0.12 0.00 0.00 56.93 56.15 2k3x s PHE 77 Cb -0.10 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 2k3x s PHE 77 CO 0.04 -0.54 1.62 0.12 -0.10 0.00 0.00 175.22 176.37 2k3x s PHE 78 N 1.82 2.10 0.08 0.36 5.36 0.55 -1.55 117.98 126.71 2k3x s PHE 78 Ca 0.01 0.59 0.08 0.00 -0.96 0.00 0.00 56.93 56.65 2k3x s PHE 78 Cb -0.15 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.45 2k3x s PHE 78 CO -0.07 -2.78 -0.20 0.96 -1.46 0.00 0.00 175.22 171.66 2k3x s ILE 79 N 5.54 1.63 -0.25 3.12 -4.36 -0.13 -1.41 121.20 125.34 2k3x s ILE 79 Ca 0.71 -1.41 -0.23 0.00 -0.26 0.00 0.00 60.65 59.46 2k3x s ILE 79 Cb -0.23 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 2k3x s ILE 79 CO 0.30 0.00 0.77 -2.28 0.24 0.00 0.00 174.94 173.98 2k3x s HIS 80 N -1.05 3.30 -0.54 1.37 5.65 -0.56 -1.87 115.29 121.58 2k3x s HIS 80 Ca 0.06 1.03 -0.28 0.00 0.25 0.00 0.00 55.06 56.12 2k3x s HIS 80 Cb -0.10 -3.00 0.00 0.00 -1.18 0.00 0.00 32.58 28.30 2k3x s HIS 80 CO 0.03 -0.39 1.53 0.71 -0.65 0.00 0.00 174.74 175.97 2k3x s TYR 81 N 2.76 2.13 0.60 3.88 2.02 -1.22 -1.96 117.35 125.57 2k3x s TYR 81 Ca 0.32 0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 57.41 2k3x s TYR 81 Cb -0.15 -4.32 -0.03 0.00 -0.40 0.00 0.00 41.96 37.06 2k3x s TYR 81 CO 0.08 -2.14 1.05 -0.65 -1.57 0.00 0.00 175.55 172.31 2k3x s GLN 82 N 5.76 3.34 0.00 -0.62 -0.21 -0.02 -2.91 119.66 125.00 2k3x s GLN 82 Ca 0.58 1.10 0.00 0.00 0.02 0.00 0.00 55.36 57.06 2k3x s GLN 82 Cb -0.12 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.85 2k3x s GLN 82 CO 0.25 -0.79 0.00 0.41 -2.12 0.00 0.00 175.29 173.05 2k3x n GLY 83 N -1.33 0.41 3.27 3.09 0.00 -1.26 -4.18 105.19 105.19 2k3x n GLY 83 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2k3x n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3x s TRP 84 N -2.10 1.37 0.40 1.61 0.52 -1.14 -5.13 118.94 114.46 2k3x s TRP 84 Ca 0.00 -1.19 -0.27 0.00 0.02 0.00 0.00 56.10 54.66 2k3x s TRP 84 Cb 0.00 -0.77 -0.10 0.00 -1.15 0.00 0.00 33.47 31.44 2k3x s TRP 84 CO 0.00 -0.38 1.42 1.63 0.02 0.00 0.00 176.95 179.64 2k3x n LYS 85 N -0.36 2.40 0.17 4.98 4.76 -1.26 -4.87 118.16 123.96 2k3x n LYS 85 Ca -0.01 0.84 0.11 0.00 -2.87 0.00 0.00 58.31 56.38 2k3x n LYS 85 Cb 0.65 -2.58 0.56 0.00 -1.84 0.00 0.00 35.03 31.83 2k3x n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k3x n SER 86 N 0.28 0.54 0.30 4.39 7.64 -1.26 -0.84 113.62 124.67 2k3x n SER 86 Ca 0.03 0.74 0.17 0.00 1.01 0.00 0.00 58.87 60.82 2k3x n SER 86 Cb 0.39 -0.79 0.95 0.00 -1.01 0.00 0.00 64.21 63.76 2k3x n SER 86 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k3x h SER 87 N 0.00 0.00 -0.00 6.43 4.64 -1.91 -2.86 113.55 119.84 2k3x h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3x h SER 87 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2k3x h SER 87 CO 0.00 0.03 0.00 0.79 -0.87 0.00 0.00 176.83 176.78 2k3x n TRP 88 N -3.56 0.00 -1.99 4.77 7.02 -0.02 -4.70 117.44 118.96 2k3x n TRP 88 Ca -0.03 -0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.09 2k3x n TRP 88 Cb 0.12 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 28.90 2k3x n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3x s ASP 89 N -0.27 5.15 -0.00 -0.99 1.11 -1.08 -3.38 116.67 117.21 2k3x s ASP 89 Ca 0.00 0.28 -0.09 0.00 0.18 0.00 0.00 52.55 52.92 2k3x s ASP 89 Cb 0.00 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.47 2k3x s ASP 89 CO 0.00 -2.50 0.17 -0.70 1.18 0.00 0.00 175.17 173.32 2k3x s GLU 90 N 7.19 0.51 0.49 8.23 2.56 -0.78 -4.91 118.70 131.99 2k3x s GLU 90 Ca 0.71 -0.35 -0.18 0.00 0.00 0.00 0.00 54.97 55.15 2k3x s GLU 90 Cb -0.12 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.14 2k3x s GLU 90 CO 0.18 -0.13 0.98 -1.58 -0.56 0.00 0.00 175.26 174.16 2k3x s TRP 91 N -1.35 3.39 0.08 5.30 0.52 -1.26 -0.95 118.94 124.67 2k3x s TRP 91 Ca -0.14 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.50 2k3x s TRP 91 Cb -0.07 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.39 2k3x s TRP 91 CO 0.02 -0.33 -0.06 0.14 0.02 0.00 0.00 176.95 176.73 2k3x s VAL 92 N -2.49 0.60 0.52 4.03 -7.23 -0.59 -4.92 120.40 110.32 2k3x s VAL 92 Ca 0.60 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.08 2k3x s VAL 92 Cb -0.10 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.45 2k3x s VAL 92 CO 0.26 -0.78 0.72 -0.83 -0.31 0.00 0.00 175.10 174.16 2k3x s GLY 93 N -2.71 1.86 0.63 2.32 0.00 -1.26 -1.01 107.32 107.14 2k3x s GLY 93 Ca 0.07 -1.56 0.42 0.00 0.00 0.00 0.00 44.72 43.64 2k3x s GLY 93 CO -0.04 -1.27 2.26 -1.82 0.00 0.00 0.00 173.10 172.23 2k3x h TYR 94 N 0.22 0.00 -0.14 1.90 5.03 -1.79 -0.35 116.97 121.85 2k3x h TYR 94 Ca -0.40 0.00 0.04 0.00 2.58 0.00 0.00 58.73 60.95 2k3x h TYR 94 Cb 1.29 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 2k3x h TYR 94 CO 0.33 0.00 0.18 0.22 -1.32 0.00 0.00 178.16 177.57 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.22 116.42 112.72 2k3x h ASP 95 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 2k3x h ASP 95 Cb 0.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2k3x h ASP 95 CO 0.00 0.00 -1.51 0.54 -2.88 0.00 0.00 179.24 175.39 2k3x n ARG 96 N -3.65 0.22 -4.02 0.28 1.74 -0.25 -4.95 116.66 106.03 2k3x n ARG 96 Ca 0.01 0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 2k3x n ARG 96 Cb 0.29 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3x s ILE 97 N -2.18 4.91 0.01 0.55 2.07 -0.57 -0.95 121.20 125.05 2k3x s ILE 97 Ca -0.12 -1.03 -0.07 0.00 -1.41 0.00 0.00 60.65 58.02 2k3x s ILE 97 Cb 0.03 -3.59 -0.00 0.00 0.13 0.00 0.00 42.46 39.03 2k3x s ILE 97 CO 0.20 -0.22 0.14 -0.13 -1.91 0.00 0.00 174.94 173.02 2k3x s ARG 98 N -3.56 0.52 1.16 3.50 0.52 -0.17 -4.56 118.95 116.37 2k3x s ARG 98 Ca 0.33 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.94 2k3x s ARG 98 Cb -0.09 0.22 0.28 0.00 0.52 0.00 0.00 34.95 35.87 2k3x s ARG 98 CO 0.27 -0.13 1.03 0.00 0.02 0.00 0.00 175.30 176.49 2k3x s ALA 99 N -1.68 -0.44 0.08 2.13 0.00 -1.26 -0.98 121.76 119.61 2k3x s ALA 99 Ca -0.12 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 2k3x s ALA 99 Cb -0.06 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 2k3x s ALA 99 CO 0.00 -3.83 1.45 -0.47 0.00 0.00 0.00 175.76 172.91 2k3x s TYR 100 N -2.49 3.00 0.00 0.00 5.04 0.13 -4.57 117.35 118.46 2k3x s TYR 100 Ca 0.68 0.79 -0.22 0.00 -2.44 0.00 0.00 57.07 55.89 2k3x s TYR 100 Cb -0.25 -3.74 0.05 0.00 0.35 0.00 0.00 41.96 38.37 2k3x s TYR 100 CO 0.64 -2.72 0.48 -0.80 -1.34 0.00 0.00 175.55 171.81 2k3x s ASN 101 N 1.51 -0.40 0.52 4.32 0.01 -1.26 -4.48 114.94 115.16 2k3x s ASN 101 Ca 0.66 0.26 0.18 0.00 -0.71 0.00 0.00 52.86 53.26 2k3x s ASN 101 Cb -0.36 0.44 1.32 0.00 0.41 0.00 0.00 41.25 43.05 2k3x s ASN 101 CO 0.30 -0.60 2.15 -0.33 -1.51 0.00 0.00 177.10 177.10 2k3x h GLU 102 N 3.20 0.00 -0.23 -0.60 5.08 -1.98 -0.29 114.58 119.77 2k3x h GLU 102 Ca -0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 2k3x h GLU 102 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2k3x h GLU 102 CO 0.41 0.02 -0.29 1.49 -1.00 0.00 0.00 179.01 179.64 2k3x h GLU 103 N 0.00 0.47 0.00 2.33 4.81 -1.97 0.84 114.58 121.06 2k3x h GLU 103 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2k3x h GLU 103 Cb 0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2k3x h GLU 103 CO 0.00 0.72 -0.53 0.09 -0.73 0.00 0.00 179.01 178.56 2k3x n ASN 104 N -4.10 0.59 0.03 1.04 3.02 -0.27 -1.56 115.26 114.02 2k3x n ASN 104 Ca -0.01 0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.55 2k3x n ASN 104 Cb 0.43 0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.64 2k3x n ASN 104 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2k3x h ILE 105 N 0.00 0.81 -0.40 2.41 5.03 -0.95 -0.17 117.51 124.24 2k3x h ILE 105 Ca 0.00 -2.43 -0.07 0.00 -0.12 0.00 0.00 64.86 62.25 2k3x h ILE 105 Cb 0.65 2.31 -0.01 0.00 -3.03 0.00 0.00 36.82 36.74 2k3x h ILE 105 CO 0.00 0.46 -0.01 0.00 -0.68 0.00 0.00 178.15 177.92 2k3x h ALA 106 N 1.25 0.54 -0.44 1.87 0.00 -0.64 0.13 119.26 121.97 2k3x h ALA 106 Ca -0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2k3x h ALA 106 Cb 1.71 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2k3x h ALA 106 CO 0.07 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.83 2k3x h MET 107 N 0.54 0.66 0.07 0.00 -0.00 -1.34 -1.66 114.93 113.19 2k3x h MET 107 Ca 0.11 -0.12 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 2k3x h MET 107 Cb 0.49 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 31.97 2k3x h MET 107 CO 0.02 0.60 -0.12 -0.22 -0.00 0.00 0.00 176.91 177.19 2k3x h LYS 108 N 0.57 -0.23 -0.24 -0.10 1.63 -0.72 -0.51 116.57 116.96 2k3x h LYS 108 Ca 0.15 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2k3x h LYS 108 Cb 0.18 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2k3x h LYS 108 CO -0.01 -0.16 -0.12 1.57 -3.45 0.00 0.00 179.45 177.28 2k3x h LYS 109 N -0.24 0.51 -0.49 1.90 2.10 -0.71 0.20 116.57 119.84 2k3x h LYS 109 Ca 0.02 -0.23 0.10 0.00 -2.00 0.00 0.00 60.65 58.54 2k3x h LYS 109 Cb 0.26 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 2k3x h LYS 109 CO -0.07 0.78 0.33 -0.09 -2.00 0.00 0.00 179.45 178.40 2k3x h ARG 110 N 0.23 0.23 0.04 0.07 1.12 -1.24 -1.73 114.38 113.10 2k3x h ARG 110 Ca 0.05 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2k3x h ARG 110 Cb 0.63 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 2k3x h ARG 110 CO 0.04 0.15 -0.02 -0.07 -3.11 0.00 0.00 179.97 176.96 2k3x h LEU 111 N 0.24 -0.04 -2.21 3.80 3.38 -0.62 -3.34 115.31 116.52 2k3x h LEU 111 Ca 0.23 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2k3x h LEU 111 Cb 0.58 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k3x h LEU 111 CO -0.04 0.71 0.07 0.00 0.09 0.00 0.00 178.44 179.26 2k3x h ALA 112 N -0.33 1.06 -0.58 1.53 0.00 -0.42 0.38 119.26 120.91 2k3x h ALA 112 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2k3x h ALA 112 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2k3x h ALA 112 CO 0.01 -0.06 0.39 -0.97 0.00 0.00 0.00 179.25 178.61 2k3x h ASN 113 N 0.00 0.40 0.09 0.00 -1.24 -1.44 -2.59 115.58 110.81 2k3x h ASN 113 Ca 0.00 0.01 -0.25 0.00 0.71 0.00 0.00 56.30 56.77 2k3x h ASN 113 Cb 0.14 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.13 2k3x h ASN 113 CO 0.00 0.25 -0.99 -0.07 -1.29 0.00 0.00 177.43 175.33 2k3x h LEU 114 N 0.45 0.80 0.00 0.34 4.07 -1.12 -3.52 115.31 116.33 2k3x h LEU 114 Ca 0.26 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2k3x h LEU 114 Cb 0.44 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2k3x h LEU 114 CO -0.07 1.43 0.00 1.21 -1.08 0.00 0.00 178.44 179.93