#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x n VAL 2 N 0.00 0.00 -1.72 2.03 0.24 -1.26 -4.89 118.33 112.73 2k3x n VAL 2 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2k3x n VAL 2 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2k3x n VAL 2 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k3x s ASP 3 N 0.00 6.02 -0.70 -1.34 2.15 -1.26 -1.25 116.67 120.28 2k3x s ASP 3 Ca 0.00 2.17 -0.02 0.00 0.43 0.00 0.00 52.55 55.13 2k3x s ASP 3 Cb 0.00 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2k3x s ASP 3 CO 0.00 -1.47 0.08 -0.11 -0.17 0.00 0.00 175.17 173.50 2k3x n LEU 4 N 9.42 -0.75 0.00 -1.34 7.94 -1.26 -4.77 117.00 126.24 2k3x n LEU 4 Ca 0.24 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2k3x n LEU 4 Cb 0.43 -1.69 0.00 0.00 0.53 0.00 0.00 43.42 42.70 2k3x n LEU 4 CO 0.67 -0.04 0.29 -0.62 -1.11 0.00 0.00 177.39 176.58 2k3x n GLU 5 N -2.84 0.86 0.00 1.96 1.02 -0.38 -4.94 120.64 116.32 2k3x n GLU 5 Ca -0.07 -0.75 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 2k3x n GLU 5 Cb 0.56 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 2k3x n GLU 5 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2k3x n GLN 6 N -0.17 0.00 0.00 3.49 7.27 -0.78 -4.71 117.38 122.48 2k3x n GLN 6 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2k3x n GLN 6 Cb 0.31 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.96 2k3x n GLN 6 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2k3x n GLU 7 N 0.00 0.00 -4.10 3.69 4.07 -1.20 -4.50 120.64 118.60 2k3x n GLU 7 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 2k3x n GLU 7 Cb 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.26 2k3x n GLU 7 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 2k3x s PHE 8 N 0.00 0.80 0.06 4.31 -0.71 -1.26 -1.17 117.98 120.01 2k3x s PHE 8 Ca 0.00 -0.47 0.04 0.00 -1.04 0.00 0.00 56.93 55.45 2k3x s PHE 8 Cb 0.00 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.31 2k3x s PHE 8 CO 0.00 -0.05 -0.11 0.00 -1.34 0.00 0.00 175.22 173.73 2k3x s ALA 9 N -1.30 0.86 -1.27 1.99 0.00 -1.26 -4.98 121.76 115.80 2k3x s ALA 9 Ca -0.07 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 2k3x s ALA 9 Cb -0.10 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2k3x s ALA 9 CO 0.01 0.07 1.76 -0.51 0.00 0.00 0.00 175.76 177.09 2k3x s LEU 10 N -1.66 3.70 0.00 0.00 2.01 -1.26 -0.96 118.68 120.51 2k3x s LEU 10 Ca -0.06 -2.28 0.00 0.00 0.01 0.00 0.00 54.13 51.80 2k3x s LEU 10 Cb -0.10 -2.58 0.00 0.00 0.01 0.00 0.00 46.19 43.52 2k3x s LEU 10 CO 0.01 -1.48 0.00 0.61 1.01 0.00 0.00 176.35 176.50 2k3x n GLY 11 N 5.53 1.44 3.83 -3.19 0.00 -1.22 -4.86 105.19 106.72 2k3x n GLY 11 Ca 0.48 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.19 1.59 0.61 -0.02 0.00 -0.14 -4.88 107.32 102.29 2k3x s GLY 12 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 2k3x s GLY 12 CO 0.00 -0.06 0.90 0.50 0.00 0.00 0.00 173.10 174.44 2k3x s ARG 13 N -5.41 2.61 0.37 2.90 0.52 -1.26 -2.02 118.95 116.65 2k3x s ARG 13 Ca 0.63 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 55.49 2k3x s ARG 13 Cb -0.13 -2.30 0.03 0.00 0.52 0.00 0.00 34.95 33.07 2k3x s ARG 13 CO 0.52 -0.86 0.63 0.00 0.02 0.00 0.00 175.30 175.61 2k3x s LEU 15 N -3.17 1.72 -0.07 0.00 2.01 -0.16 -0.39 118.68 118.63 2k3x s LEU 15 Ca 0.24 -0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.34 2k3x s LEU 15 Cb -0.03 -0.19 0.02 0.00 0.01 0.00 0.00 46.19 46.00 2k3x s LEU 15 CO 0.17 -0.01 -0.10 0.00 1.01 0.00 0.00 176.35 177.42 2k3x s ALA 16 N 0.30 1.14 0.61 4.21 0.00 -0.40 -1.52 121.76 126.10 2k3x s ALA 16 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 2k3x s ALA 16 Cb -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2k3x s ALA 16 CO -0.01 0.01 1.07 -0.06 0.00 0.00 0.00 175.76 176.77 2k3x s PHE 17 N 0.88 2.88 0.00 0.00 0.08 -0.24 -1.21 117.98 120.37 2k3x s PHE 17 Ca -0.11 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.46 2k3x s PHE 17 Cb -0.15 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2k3x s PHE 17 CO 0.01 -1.29 0.00 0.72 -0.10 0.00 0.00 175.22 174.56 2k3x n HIS 18 N -2.16 0.00 0.00 0.36 8.25 -0.42 -4.86 115.22 116.40 2k3x n HIS 18 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2k3x n HIS 18 Cb 0.53 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 2.44 1.96 0.33 -1.41 0.00 -1.26 -4.88 105.19 102.37 2k3x n GLY 19 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.75 2k3x n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3x h PRO 20 N 0.00 0.87 0.00 1.61 0.11 -2.04 -3.46 132.00 129.10 2k3x h PRO 20 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2k3x h PRO 20 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.91 2k3x h PRO 20 CO 0.00 0.58 0.00 -0.11 -0.21 0.00 0.00 178.00 178.26 2k3x n LEU 21 N -4.68 0.00 -4.31 2.35 7.94 -1.26 -5.01 117.00 112.04 2k3x n LEU 21 Ca 0.15 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.80 2k3x n LEU 21 Cb 0.27 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.10 2k3x n LEU 21 CO 0.28 0.00 -0.53 -0.32 -1.11 0.00 0.00 177.39 175.71 2k3x s MET 22 N -0.73 1.19 0.08 1.96 -2.45 -1.26 -1.29 119.30 116.79 2k3x s MET 22 Ca 0.00 -1.21 0.05 0.00 -1.25 0.00 0.00 55.69 53.28 2k3x s MET 22 Cb 0.00 -1.52 -0.03 0.00 1.25 0.00 0.00 34.83 34.53 2k3x s MET 22 CO 0.00 0.35 -0.13 0.71 1.05 0.00 0.00 175.02 177.01 2k3x s TYR 23 N -1.14 1.13 0.51 4.11 2.02 -0.35 -4.94 117.35 118.70 2k3x s TYR 23 Ca 0.08 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 56.07 2k3x s TYR 23 Cb -0.10 -0.63 -0.07 0.00 -0.40 0.00 0.00 41.96 40.76 2k3x s TYR 23 CO 0.05 0.04 1.12 -1.21 -1.57 0.00 0.00 175.55 173.98 2k3x s GLU 24 N -1.97 3.53 0.24 -0.62 2.02 -1.25 -1.28 118.70 119.38 2k3x s GLU 24 Ca -0.01 1.62 0.05 0.00 0.02 0.00 0.00 54.97 56.65 2k3x s GLU 24 Cb -0.08 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 2k3x s GLU 24 CO 0.02 -0.70 -0.05 0.00 0.02 0.00 0.00 175.26 174.54 2k3x s ALA 25 N -1.74 2.05 -0.28 5.21 0.00 0.48 -0.97 121.76 126.51 2k3x s ALA 25 Ca 0.69 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2k3x s ALA 25 Cb -0.24 0.26 0.16 0.00 0.00 0.00 0.00 23.12 23.29 2k3x s ALA 25 CO 0.28 -0.12 0.40 0.21 0.00 0.00 0.00 175.76 176.52 2k3x s LYS 26 N -3.77 0.40 -0.14 0.00 2.20 -0.72 -1.22 119.74 116.50 2k3x s LYS 26 Ca 0.27 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.77 2k3x s LYS 26 Cb 0.04 -0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 35.95 2k3x s LYS 26 CO 0.09 -0.97 2.06 0.42 -0.36 0.00 0.00 175.35 176.59 2k3x s ILE 27 N 2.53 3.10 -0.00 5.43 1.01 -0.86 -1.48 121.20 130.93 2k3x s ILE 27 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.86 2k3x s ILE 27 Cb -0.13 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 2k3x s ILE 27 CO -0.28 -0.05 -0.01 -0.11 0.00 0.00 0.00 174.94 174.49 2k3x n LEU 28 N 9.95 0.04 -4.74 2.97 7.94 0.16 -3.41 117.00 129.91 2k3x n LEU 28 Ca 0.25 0.02 -0.36 0.00 -1.11 0.00 0.00 56.01 54.82 2k3x n LEU 28 Cb 0.44 -0.50 -0.08 0.00 0.53 0.00 0.00 43.42 43.80 2k3x n LEU 28 CO 0.67 -0.50 -0.24 -0.75 -1.11 0.00 0.00 177.39 175.46 2k3x s LYS 29 N -1.04 3.43 -0.06 1.96 2.20 -1.01 -4.00 119.74 121.23 2k3x s LYS 29 Ca -0.01 -0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 2k3x s LYS 29 Cb 0.00 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 2k3x s LYS 29 CO 0.01 0.61 -0.18 0.42 -0.36 0.00 0.00 175.35 175.85 2k3x s ILE 30 N -0.58 2.69 0.04 5.43 1.09 0.73 -0.24 121.20 130.36 2k3x s ILE 30 Ca 0.11 -0.85 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 2k3x s ILE 30 Cb -0.12 -2.03 -0.02 0.00 -1.06 0.00 0.00 42.46 39.23 2k3x s ILE 30 CO 0.02 0.58 -0.12 0.86 -0.10 0.00 0.00 174.94 176.18 2k3x s TRP 31 N -0.45 1.04 -0.20 3.97 -0.11 0.44 -0.29 118.94 123.34 2k3x s TRP 31 Ca 0.05 -0.37 -0.07 0.00 1.22 0.00 0.00 56.10 56.94 2k3x s TRP 31 Cb -0.12 -0.62 0.09 0.00 -1.50 0.00 0.00 33.47 31.33 2k3x s TRP 31 CO 0.02 0.01 0.41 0.34 -4.62 0.00 0.00 176.95 173.10 2k3x s ASP 32 N -1.18 -0.19 0.09 5.86 -1.08 -1.23 -1.53 116.67 117.41 2k3x s ASP 32 Ca -0.01 0.93 0.12 0.00 -0.52 0.00 0.00 52.55 53.07 2k3x s ASP 32 Cb -0.08 1.30 0.54 0.00 -1.46 0.00 0.00 42.92 43.22 2k3x s ASP 32 CO 0.01 -0.24 1.37 -0.81 0.52 0.00 0.00 175.17 176.02 2k3x n PRO 33 N 5.39 0.05 0.25 4.34 -0.04 -1.26 -0.98 135.00 142.75 2k3x n PRO 33 Ca -0.08 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 2k3x n PRO 33 Cb 0.49 -1.63 0.62 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.94 -2.99 113.55 112.18 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 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k3x h SER 34 CO 0.00 0.14 -1.05 -1.20 -1.14 0.00 0.00 176.83 173.58 2k3x n SER 35 N -4.04 2.60 -3.89 3.07 7.64 -0.93 -5.02 113.62 113.04 2k3x n SER 35 Ca -0.02 -0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.37 2k3x n SER 35 Cb 0.22 1.23 -0.01 0.00 -1.01 0.00 0.00 64.21 64.65 2k3x n SER 35 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k3x n LYS 36 N -1.59 -3.69 -4.02 1.43 4.81 -0.15 -4.93 118.16 110.02 2k3x n LYS 36 Ca -0.01 0.44 -0.11 0.00 -0.87 0.00 0.00 58.31 57.76 2k3x n LYS 36 Cb 0.16 -5.20 -0.04 0.00 0.02 0.00 0.00 35.03 29.97 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2k3x s MET 37 N -6.58 1.75 0.23 1.64 -1.94 -1.25 -4.95 119.30 108.20 2k3x s MET 37 Ca 0.63 -1.48 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 2k3x s MET 37 Cb -0.33 0.47 0.02 0.00 2.01 0.00 0.00 34.83 37.00 2k3x s MET 37 CO 0.77 -0.73 0.19 2.48 -0.01 0.00 0.00 175.02 177.71 2k3x n TYR 38 N -0.46 -1.28 -3.74 -0.03 0.18 -1.26 -3.52 117.16 107.05 2k3x n TYR 38 Ca -0.01 -0.97 -0.10 0.00 1.88 0.00 0.00 57.90 58.70 2k3x n TYR 38 Cb 0.62 -0.19 -0.05 0.00 -0.38 0.00 0.00 39.34 39.33 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 0.07 0.16 -3.48 -4.23 0.61 -3.51 115.64 104.17 2k3x s THR 39 Ca 0.14 -0.82 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 2k3x s THR 39 Cb -0.01 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.44 2k3x s THR 39 CO 0.09 -0.30 0.37 -0.55 -0.54 0.00 0.00 174.62 173.69 2k3x s SER 40 N -2.85 -0.10 0.03 3.99 0.15 -1.26 -0.19 113.70 113.47 2k3x s SER 40 Ca 0.07 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.17 2k3x s SER 40 Cb 0.02 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 2k3x s SER 40 CO -0.08 -0.92 -0.17 0.27 1.20 0.00 0.00 173.24 173.55 2k3x s ILE 41 N -3.89 1.32 -1.19 6.45 -5.25 -1.26 -1.15 121.20 116.23 2k3x s ILE 41 Ca 0.10 -0.99 0.19 0.00 -0.99 0.00 0.00 60.65 58.96 2k3x s ILE 41 Cb 0.02 -1.16 0.24 0.00 2.95 0.00 0.00 42.46 44.51 2k3x s ILE 41 CO -0.05 0.15 1.59 -0.81 -1.79 0.00 0.00 174.94 174.04 2k3x n PRO 42 N 2.07 0.12 0.00 0.37 -0.04 -1.16 -2.66 135.00 133.71 2k3x n PRO 42 Ca -0.17 0.15 0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2k3x n PRO 42 Cb 0.54 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.40 0.02 -3.69 3.54 5.15 -1.26 -4.63 115.26 112.99 2k3x n ASN 43 Ca 0.07 0.51 -0.16 0.00 -0.60 0.00 0.00 54.58 54.39 2k3x n ASN 43 Cb 0.19 -0.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.84 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k3x s ASP 44 N -3.03 0.97 0.01 1.20 2.15 -1.09 -4.89 116.67 111.99 2k3x s ASP 44 Ca 0.02 -1.57 -0.08 0.00 0.43 0.00 0.00 52.55 51.35 2k3x s ASP 44 Cb 0.03 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 2k3x s ASP 44 CO 0.08 -1.00 0.16 -1.59 -0.17 0.00 0.00 175.17 172.65 2k3x s LYS 45 N -3.71 0.54 1.18 4.34 -2.85 -1.26 -2.99 119.74 115.00 2k3x s LYS 45 Ca 0.39 -0.45 -0.18 0.00 -1.00 0.00 0.00 55.97 54.73 2k3x s LYS 45 Cb 0.04 0.23 0.28 0.00 -2.06 0.00 0.00 37.83 36.31 2k3x s LYS 45 CO 0.20 -0.14 1.09 -1.25 0.10 0.00 0.00 175.35 175.36 2k3x s PRO 46 N -1.67 -1.06 0.00 1.78 0.04 -1.26 -4.93 135.00 127.90 2k3x s PRO 46 Ca -0.12 0.07 0.11 0.00 0.04 0.00 0.00 61.00 61.10 2k3x s PRO 46 Cb -0.06 -1.60 0.64 0.00 0.04 0.00 0.00 34.50 33.51 2k3x s PRO 46 CO 0.00 -3.63 1.11 0.41 0.04 0.00 0.00 177.00 174.94 2k3x n GLY 47 N -0.76 -0.58 0.40 0.56 0.00 -1.26 -3.75 105.19 99.79 2k3x n GLY 47 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k3x n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3x n GLY 48 N 0.13 0.30 3.12 -0.02 0.00 -1.26 -4.93 105.19 102.54 2k3x n GLY 48 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.47 0.07 0.34 1.61 0.01 -1.25 -5.07 113.70 108.96 2k3x s SER 49 Ca 0.00 -0.33 0.10 0.00 1.31 0.00 0.00 55.95 57.02 2k3x s SER 49 Cb 0.00 0.22 0.63 0.00 0.21 0.00 0.00 66.02 67.08 2k3x s SER 49 CO 0.00 -0.44 1.79 0.28 0.41 0.00 0.00 173.24 175.28 2k3x h SER 50 N 3.95 0.14 -4.65 2.44 0.02 -1.99 -3.40 113.55 110.06 2k3x h SER 50 Ca -0.32 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2k3x h SER 50 Cb 1.19 -0.04 -0.20 0.00 0.14 0.00 0.00 62.40 63.49 2k3x h SER 50 CO 0.45 0.48 0.33 -1.58 -1.14 0.00 0.00 176.83 175.37 2k3x s GLN 51 N -4.28 0.87 0.89 3.45 0.74 -1.26 -4.90 119.66 115.18 2k3x s GLN 51 Ca -0.04 0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.46 2k3x s GLN 51 Cb 0.14 0.41 0.13 0.00 1.10 0.00 0.00 33.01 34.79 2k3x s GLN 51 CO 0.75 -0.27 1.10 0.00 -0.55 0.00 0.00 175.29 176.31 2k3x s ALA 52 N -1.20 1.61 0.76 1.58 0.00 -1.16 -4.90 121.76 118.44 2k3x s ALA 52 Ca -0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2k3x s ALA 52 Cb -0.00 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.01 2k3x s ALA 52 CO 0.06 -2.30 1.11 0.99 0.00 0.00 0.00 175.76 175.62 2k3x s THR 53 N -3.00 3.11 0.80 0.00 2.01 -1.26 -4.44 115.64 112.86 2k3x s THR 53 Ca 0.63 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.88 2k3x s THR 53 Cb -0.17 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2k3x s THR 53 CO 0.56 -0.43 0.20 0.29 -0.69 0.00 0.00 174.62 174.56 2k3x n LYS 54 N -3.27 0.08 -1.18 4.92 5.02 -1.26 -3.01 118.16 119.46 2k3x n LYS 54 Ca 0.10 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 2k3x n LYS 54 Cb 0.52 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k3x n GLU 55 N -0.17 0.00 -2.43 1.97 2.13 -1.26 -4.76 120.64 116.13 2k3x n GLU 55 Ca 0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 2k3x n GLU 55 Cb 0.51 -1.28 -0.03 0.00 0.27 0.00 0.00 31.44 30.92 2k3x n GLU 55 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2k3x s ILE 56 N 6.44 4.08 0.45 6.31 1.01 -0.30 -4.95 121.20 134.23 2k3x s ILE 56 Ca 1.09 1.48 -0.24 0.00 0.00 0.00 0.00 60.65 62.99 2k3x s ILE 56 Cb -1.17 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 37.27 2k3x s ILE 56 CO 0.49 0.10 1.19 -0.54 0.00 0.00 0.00 174.94 176.18 2k3x s LYS 57 N 1.21 3.80 0.11 2.79 3.01 -1.26 -4.07 119.74 125.33 2k3x s LYS 57 Ca 0.58 1.86 -0.35 0.00 -1.01 0.00 0.00 55.97 57.06 2k3x s LYS 57 Cb -0.29 -2.49 -0.14 0.00 -1.01 0.00 0.00 37.83 33.90 2k3x s LYS 57 CO 0.28 -0.54 1.55 -2.30 0.51 0.00 0.00 175.35 174.86 2k3x n PRO 58 N -0.33 1.91 -3.99 -1.68 -0.02 -1.23 -4.82 135.00 124.83 2k3x n PRO 58 Ca 0.06 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.15 2k3x n PRO 58 Cb 0.47 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.13 0.61 0.52 -0.52 -1.52 -1.26 -4.98 119.66 113.65 2k3x s GLN 59 Ca 0.82 -0.98 -0.19 0.00 -1.95 0.00 0.00 55.36 53.05 2k3x s GLN 59 Cb -0.75 0.23 -0.10 0.00 -0.22 0.00 0.00 33.01 32.17 2k3x s GLN 59 CO 0.42 -0.14 0.56 1.63 -0.25 0.00 0.00 175.29 177.50 2k3x n LYS 60 N 0.42 0.58 -4.16 2.91 5.02 -1.26 -4.26 118.16 117.41 2k3x n LYS 60 Ca -0.17 0.22 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 2k3x n LYS 60 Cb 0.60 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 2k3x n LYS 60 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k3x s LEU 61 N 0.93 3.64 0.00 -0.35 2.96 -1.26 -4.87 118.68 119.72 2k3x s LEU 61 Ca 0.67 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 2k3x s LEU 61 Cb -0.49 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.03 2k3x s LEU 61 CO 0.55 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 176.17 2k3x n GLY 62 N -1.05 1.94 0.11 7.98 0.00 -1.25 -5.05 105.19 107.87 2k3x n GLY 62 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.28 0.00 1.61 5.08 -2.02 -3.43 114.58 116.10 2k3x h GLU 63 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k3x h GLU 63 Cb 0.00 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k3x h GLU 63 CO 0.00 1.17 0.00 -3.47 -1.00 0.00 0.00 179.01 175.71 2k3x n ASP 64 N -3.49 0.00 -3.91 1.42 2.03 -1.26 -5.14 116.55 106.20 2k3x n ASP 64 Ca -0.15 -1.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.07 2k3x n ASP 64 Cb 1.04 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.40 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 1.55 -0.25 -0.67 1.03 -1.26 -5.10 118.70 114.00 2k3x s GLU 65 Ca 0.00 -1.11 -0.18 0.00 0.03 0.00 0.00 54.97 53.72 2k3x s GLU 65 Cb 0.00 0.51 0.07 0.00 -0.80 0.00 0.00 34.13 33.91 2k3x s GLU 65 CO 0.00 -0.66 0.64 -1.12 -1.33 0.00 0.00 175.26 172.79 2k3x s SER 66 N -2.96 -0.80 -0.27 0.83 0.01 -1.26 -3.96 113.70 105.29 2k3x s SER 66 Ca 0.17 1.37 -0.22 0.00 1.31 0.00 0.00 55.95 58.57 2k3x s SER 66 Cb -0.02 1.29 -0.01 0.00 0.21 0.00 0.00 66.02 67.49 2k3x s SER 66 CO 0.06 -0.23 0.71 0.27 0.41 0.00 0.00 173.24 174.46 2k3x s ILE 67 N 1.14 4.90 0.67 1.44 -0.00 -1.26 -4.81 121.20 123.29 2k3x s ILE 67 Ca -0.06 1.22 -0.15 0.00 -0.00 0.00 0.00 60.65 61.66 2k3x s ILE 67 Cb -0.05 -4.03 0.01 0.00 -0.00 0.00 0.00 42.46 38.38 2k3x s ILE 67 CO -0.11 -0.07 1.13 -2.16 -0.00 0.00 0.00 174.94 173.72 2k3x s PRO 68 N 2.69 2.66 0.62 0.37 0.04 -1.26 -4.85 135.00 135.28 2k3x s PRO 68 Ca 0.29 1.46 0.33 0.00 0.04 0.00 0.00 61.00 63.13 2k3x s PRO 68 Cb -0.15 -1.93 1.91 0.00 0.04 0.00 0.00 34.50 34.37 2k3x s PRO 68 CO 0.09 -1.37 2.20 0.93 0.04 0.00 0.00 177.00 178.89 2k3x h GLU 69 N -0.04 0.00 -0.89 4.56 5.08 -1.99 -1.61 114.58 119.68 2k3x h GLU 69 Ca -0.47 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.03 2k3x h GLU 69 Cb 1.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 2k3x h GLU 69 CO 0.53 0.00 0.50 1.49 -1.00 0.00 0.00 179.01 180.53 2k3x h GLU 70 N 0.00 0.71 0.00 2.33 4.81 -2.04 -3.19 114.58 117.20 2k3x h GLU 70 Ca 0.03 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 2k3x h GLU 70 Cb 0.25 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 2k3x h GLU 70 CO -0.00 0.47 -2.06 0.44 -0.73 0.00 0.00 179.01 177.12 2k3x n ILE 71 N -4.80 0.97 -0.33 2.32 -5.35 -0.64 -4.69 119.36 106.84 2k3x n ILE 71 Ca 0.18 -0.65 0.21 0.00 -0.27 0.00 0.00 62.75 62.22 2k3x n ILE 71 Cb 0.42 -0.49 0.47 0.00 -1.74 0.00 0.00 39.64 38.30 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 0.54 0.00 7.28 2.04 -1.45 -2.08 117.51 123.84 2k3x h ILE 72 Ca -0.38 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2k3x h ILE 72 Cb 1.85 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2k3x h ILE 72 CO 0.02 0.08 0.00 -0.46 0.00 0.00 0.00 178.15 177.79 2k3x n ASN 73 N -4.69 0.00 -3.15 1.72 0.23 -1.26 -4.09 115.26 104.01 2k3x n ASN 73 Ca 0.26 -0.70 -0.14 0.00 -0.53 0.00 0.00 54.58 53.46 2k3x n ASN 73 Cb 0.83 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.50 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 -1.75 1.43 0.16 4.83 0.00 -0.78 -4.95 107.32 106.26 2k3x s GLY 74 Ca 0.09 -1.47 -0.34 0.00 0.00 0.00 0.00 44.72 43.00 2k3x s GLY 74 CO 0.07 -0.94 1.44 0.28 0.00 0.00 0.00 173.10 173.95 2k3x n LYS 75 N -0.58 1.78 -4.23 2.90 4.76 -1.26 -4.47 118.16 117.05 2k3x n LYS 75 Ca 0.00 0.64 -0.17 0.00 -2.87 0.00 0.00 58.31 55.91 2k3x n LYS 75 Cb 0.61 -2.32 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 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 -2.30 0.02 -0.19 0.00 0.08 -0.29 -0.42 117.98 114.88 2k3x s PHE 77 Ca 0.09 0.28 -0.29 0.00 0.12 0.00 0.00 56.93 57.13 2k3x s PHE 77 Cb -0.04 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.99 2k3x s PHE 77 CO 0.02 -0.18 1.46 0.12 -0.10 0.00 0.00 175.22 176.55 2k3x s PHE 78 N 1.95 2.40 0.03 0.36 5.36 0.67 -1.54 117.98 127.20 2k3x s PHE 78 Ca 0.02 0.67 0.07 0.00 -0.96 0.00 0.00 56.93 56.73 2k3x s PHE 78 Cb -0.12 -3.83 -0.02 0.00 -0.34 0.00 0.00 43.02 38.71 2k3x s PHE 78 CO -0.03 -2.52 -0.20 0.96 -1.46 0.00 0.00 175.22 171.96 2k3x s ILE 79 N 4.37 1.58 -0.32 3.12 -4.36 -0.30 -0.67 121.20 124.62 2k3x s ILE 79 Ca 0.64 -1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 59.64 2k3x s ILE 79 Cb -0.24 -1.37 0.02 0.00 1.25 0.00 0.00 42.46 42.12 2k3x s ILE 79 CO 0.24 0.23 1.07 -2.28 0.24 0.00 0.00 174.94 174.44 2k3x s HIS 80 N -0.73 3.15 -0.67 1.37 5.65 -0.55 -1.72 115.29 121.79 2k3x s HIS 80 Ca 0.07 1.18 -0.27 0.00 0.25 0.00 0.00 55.06 56.29 2k3x s HIS 80 Cb -0.08 -3.69 0.00 0.00 -1.18 0.00 0.00 32.58 27.63 2k3x s HIS 80 CO 0.01 -0.77 1.57 0.71 -0.65 0.00 0.00 174.74 175.62 2k3x s TYR 81 N 3.64 1.97 0.63 3.88 2.02 -0.65 -1.75 117.35 127.10 2k3x s TYR 81 Ca 0.45 0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.41 2k3x s TYR 81 Cb -0.12 -4.36 -0.03 0.00 -0.40 0.00 0.00 41.96 37.05 2k3x s TYR 81 CO 0.15 -2.19 1.03 -0.65 -1.57 0.00 0.00 175.55 172.33 2k3x s GLN 82 N 6.37 3.51 0.00 -0.62 -0.21 -0.14 -3.29 119.66 125.29 2k3x s GLN 82 Ca 0.51 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.67 2k3x s GLN 82 Cb -0.10 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.84 2k3x s GLN 82 CO 0.18 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 173.12 2k3x n GLY 83 N -2.66 0.61 3.34 3.09 0.00 -1.26 -3.88 105.19 104.43 2k3x n GLY 83 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.78 1.58 0.42 1.61 0.52 -1.21 -5.11 118.94 113.98 2k3x s TRP 84 Ca 0.00 -1.29 -0.27 0.00 0.02 0.00 0.00 56.10 54.57 2k3x s TRP 84 Cb 0.00 -0.89 -0.10 0.00 -1.15 0.00 0.00 33.47 31.33 2k3x s TRP 84 CO 0.00 -0.43 1.46 0.15 0.02 0.00 0.00 176.95 178.15 2k3x s LYS 85 N -3.90 3.88 0.25 4.98 -0.14 -1.26 -4.88 119.74 118.67 2k3x s LYS 85 Ca 0.36 2.51 0.16 0.00 -1.36 0.00 0.00 55.97 57.63 2k3x s LYS 85 Cb 0.06 -2.81 0.86 0.00 -1.68 0.00 0.00 37.83 34.26 2k3x s LYS 85 CO 0.16 -0.69 1.47 0.43 -0.76 0.00 0.00 175.35 175.95 2k3x n SER 86 N 0.11 0.41 0.25 2.83 7.64 -1.26 -0.65 113.62 122.96 2k3x n SER 86 Ca 0.03 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.70 2k3x n SER 86 Cb 0.40 -0.72 0.74 0.00 -1.01 0.00 0.00 64.21 63.62 2k3x n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3x h SER 87 N 0.00 0.00 -0.73 6.43 0.02 -1.93 -3.31 113.55 114.04 2k3x h SER 87 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 2k3x h SER 87 Cb 0.08 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.55 2k3x h SER 87 CO 0.00 0.00 2.37 0.79 -1.14 0.00 0.00 176.83 178.85 2k3x n TRP 88 N -4.28 4.44 -3.99 3.45 7.02 0.18 -4.82 117.44 119.44 2k3x n TRP 88 Ca -0.02 -2.88 -0.31 0.00 -1.02 0.00 0.00 57.50 53.27 2k3x n TRP 88 Cb 0.13 -2.61 -0.15 0.00 -2.42 0.00 0.00 31.31 26.26 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 3.97 4.64 0.00 -0.99 1.01 -1.25 -1.63 116.67 122.42 2k3x s ASP 89 Ca 0.52 -2.25 -0.02 0.00 0.71 0.00 0.00 52.55 51.52 2k3x s ASP 89 Cb 0.06 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.41 2k3x s ASP 89 CO 0.04 -0.36 0.03 -0.70 0.21 0.00 0.00 175.17 174.39 2k3x s GLU 90 N 0.78 0.21 0.67 8.23 2.12 -0.70 -4.90 118.70 125.11 2k3x s GLU 90 Ca 0.12 -0.27 -0.12 0.00 0.36 0.00 0.00 54.97 55.06 2k3x s GLU 90 Cb -0.20 0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 2k3x s GLU 90 CO -0.08 -0.04 1.06 -1.58 -0.54 0.00 0.00 175.26 174.08 2k3x s TRP 91 N -0.75 3.01 0.06 5.30 0.52 -1.26 -1.15 118.94 124.67 2k3x s TRP 91 Ca -0.08 1.47 -0.01 0.00 0.02 0.00 0.00 56.10 57.49 2k3x s TRP 91 Cb -0.05 -2.94 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 2k3x s TRP 91 CO -0.00 -1.25 -0.02 0.14 0.02 0.00 0.00 176.95 175.84 2k3x s VAL 92 N -2.82 0.23 0.51 4.03 -7.23 -0.59 -4.92 120.40 109.60 2k3x s VAL 92 Ca 0.60 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 2k3x s VAL 92 Cb -0.15 -1.60 0.04 0.00 0.56 0.00 0.00 36.38 35.23 2k3x s VAL 92 CO 0.49 -0.93 0.70 -0.83 -0.31 0.00 0.00 175.10 174.22 2k3x s GLY 93 N -2.94 1.86 0.67 2.32 0.00 -1.26 -1.14 107.32 106.83 2k3x s GLY 93 Ca 0.09 -1.65 0.41 0.00 0.00 0.00 0.00 44.72 43.57 2k3x s GLY 93 CO -0.08 -1.37 2.27 -0.97 0.00 0.00 0.00 173.10 172.95 2k3x h TYR 94 N 0.31 0.00 -0.72 1.90 0.05 -1.73 -0.51 116.97 116.27 2k3x h TYR 94 Ca -0.39 0.00 0.21 0.00 0.05 0.00 0.00 58.73 58.60 2k3x h TYR 94 Cb 1.29 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.00 2k3x h TYR 94 CO 0.35 0.00 0.65 0.22 -1.05 0.00 0.00 178.16 178.33 2k3x h ASP 95 N 0.00 0.00 0.00 3.88 3.58 -1.94 -3.20 116.42 118.74 2k3x h ASP 95 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k3x h ASP 95 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k3x h ASP 95 CO -0.00 0.00 -0.73 0.54 -2.88 0.00 0.00 179.24 176.17 2k3x n ARG 96 N -3.85 2.74 -4.19 0.28 1.74 -0.30 -4.96 116.66 108.12 2k3x n ARG 96 Ca 0.15 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 2k3x n ARG 96 Cb 0.91 -0.87 -0.06 0.00 -1.02 0.00 0.00 32.46 31.42 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 -1.73 3.97 0.14 0.55 2.07 -0.57 -1.08 121.20 124.54 2k3x s ILE 97 Ca 0.00 -1.52 -0.14 0.00 -1.41 0.00 0.00 60.65 57.58 2k3x s ILE 97 Cb 0.00 -3.09 0.02 0.00 0.13 0.00 0.00 42.46 39.52 2k3x s ILE 97 CO 0.00 -0.26 0.37 -0.13 -1.91 0.00 0.00 174.94 173.00 2k3x s ARG 98 N -3.46 1.10 1.20 3.50 3.00 -0.57 -4.50 118.95 119.21 2k3x s ARG 98 Ca 0.31 -0.85 -0.15 0.00 0.00 0.00 0.00 55.73 55.03 2k3x s ARG 98 Cb -0.08 0.44 0.29 0.00 0.00 0.00 0.00 34.95 35.60 2k3x s ARG 98 CO 0.22 -0.42 1.03 0.00 0.00 0.00 0.00 175.30 176.12 2k3x s ALA 99 N -3.85 -0.23 0.17 2.13 0.00 -0.32 -0.98 121.76 118.67 2k3x s ALA 99 Ca 0.07 -0.41 -0.32 0.00 0.00 0.00 0.00 51.96 51.30 2k3x s ALA 99 Cb 0.02 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 2k3x s ALA 99 CO -0.08 -3.83 1.68 -0.47 0.00 0.00 0.00 175.76 173.06 2k3x s TYR 100 N -2.57 2.82 -0.01 0.00 5.04 0.90 -4.47 117.35 119.05 2k3x s TYR 100 Ca 0.68 0.39 -0.30 0.00 -2.44 0.00 0.00 57.07 55.40 2k3x s TYR 100 Cb -0.20 -4.06 0.12 0.00 0.35 0.00 0.00 41.96 38.17 2k3x s TYR 100 CO 0.61 -4.04 1.26 0.54 -1.34 0.00 0.00 175.55 172.58 2k3x s ASN 101 N 1.48 -0.07 0.37 4.32 2.20 -1.26 -4.64 114.94 117.34 2k3x s ASN 101 Ca 0.74 -0.15 0.05 0.00 -0.94 0.00 0.00 52.86 52.57 2k3x s ASN 101 Cb -0.46 0.18 0.73 0.00 -2.00 0.00 0.00 41.25 39.70 2k3x s ASN 101 CO 0.32 -0.34 1.98 -0.33 -2.94 0.00 0.00 177.10 175.79 2k3x h GLU 102 N 2.00 0.57 -0.03 3.55 3.07 -1.94 -0.30 114.58 121.50 2k3x h GLU 102 Ca -0.29 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.41 2k3x h GLU 102 Cb 1.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 2k3x h GLU 102 CO 0.28 0.46 -0.40 1.49 -1.40 0.00 0.00 179.01 179.44 2k3x h GLU 103 N 0.57 0.07 0.00 2.33 4.81 -1.97 0.12 114.58 120.51 2k3x h GLU 103 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2k3x h GLU 103 Cb 0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2k3x h GLU 103 CO -0.02 0.46 -0.59 -0.91 -0.73 0.00 0.00 179.01 177.23 2k3x h ASN 104 N 0.06 0.00 1.00 1.04 2.35 -1.45 -1.43 115.58 117.16 2k3x h ASN 104 Ca 0.00 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.49 2k3x h ASN 104 Cb 0.74 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 2k3x h ASN 104 CO 0.06 0.03 -1.04 0.40 -1.65 0.00 0.00 177.43 175.23 2k3x h ILE 105 N 0.00 1.23 -0.25 2.81 5.03 -0.97 -0.83 117.51 124.53 2k3x h ILE 105 Ca 0.00 -2.86 -0.10 0.00 -0.12 0.00 0.00 64.86 61.78 2k3x h ILE 105 Cb 0.89 2.58 -0.00 0.00 -3.03 0.00 0.00 36.82 37.26 2k3x h ILE 105 CO 0.00 0.70 -0.23 0.00 -0.68 0.00 0.00 178.15 177.94 2k3x h ALA 106 N 1.17 0.37 -0.66 1.87 0.00 -0.55 0.42 119.26 121.88 2k3x h ALA 106 Ca -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2k3x h ALA 106 Cb 1.70 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2k3x h ALA 106 CO 0.10 0.34 0.29 0.00 0.00 0.00 0.00 179.25 179.98 2k3x h MET 107 N 0.32 0.96 0.40 0.00 -0.00 -1.33 -1.44 114.93 113.85 2k3x h MET 107 Ca 0.04 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 2k3x h MET 107 Cb 0.79 -0.17 -0.02 0.00 -0.00 0.00 0.00 31.60 32.20 2k3x h MET 107 CO 0.06 0.78 -0.43 -0.22 -0.00 0.00 0.00 176.91 177.11 2k3x h LYS 108 N 0.92 -0.80 -0.46 -0.10 1.63 -0.86 -1.27 116.57 115.63 2k3x h LYS 108 Ca 0.22 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 2k3x h LYS 108 Cb 0.16 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 2k3x h LYS 108 CO -0.02 -0.54 -0.00 1.57 -3.45 0.00 0.00 179.45 177.01 2k3x h LYS 109 N -0.83 0.76 -0.32 1.90 2.10 -0.85 0.12 116.57 119.43 2k3x h LYS 109 Ca -0.05 -0.20 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 2k3x h LYS 109 Cb 0.73 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 2k3x h LYS 109 CO -0.07 0.77 0.17 -0.09 -2.00 0.00 0.00 179.45 178.23 2k3x h ARG 110 N 0.71 0.44 -0.42 0.07 1.12 -1.19 -2.78 114.38 112.33 2k3x h ARG 110 Ca 0.14 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.87 2k3x h ARG 110 Cb 0.44 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2k3x h ARG 110 CO 0.02 0.38 -0.07 -0.07 -3.11 0.00 0.00 179.97 177.12 2k3x h LEU 111 N 0.39 0.79 -1.53 3.80 3.38 -0.65 -3.02 115.31 118.47 2k3x h LEU 111 Ca 0.11 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k3x h LEU 111 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k3x h LEU 111 CO -0.02 0.95 0.03 0.00 0.09 0.00 0.00 178.44 179.50 2k3x h ALA 112 N 0.87 1.02 0.00 1.53 0.00 -0.57 0.11 119.26 122.22 2k3x h ALA 112 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k3x h ALA 112 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k3x h ALA 112 CO 0.03 -0.02 -0.14 -2.95 0.00 0.00 0.00 179.25 176.18 2k3x h ASN 113 N 0.00 0.00 -0.02 0.00 7.08 -1.36 -2.98 115.58 118.30 2k3x h ASN 113 Ca 0.00 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.03 2k3x h ASN 113 Cb 0.07 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.32 2k3x h ASN 113 CO 0.00 0.14 -0.71 0.25 -2.08 0.00 0.00 177.43 175.02 2k3x h LEU 114 N 0.00 0.66 0.00 6.14 7.12 -0.98 -3.53 115.31 124.72 2k3x h LEU 114 Ca -0.00 -0.74 0.00 0.00 0.13 0.00 0.00 57.88 57.27 2k3x h LEU 114 Cb 0.26 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2k3x h LEU 114 CO 0.02 1.30 0.00 1.21 -0.13 0.00 0.00 178.44 180.84