#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 2.82 0.08 3.17 1.01 -1.26 -5.06 120.40 121.15 2k3x s VAL 2 Ca 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 2k3x s VAL 2 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2k3x s VAL 2 CO 0.00 -0.12 0.16 -0.62 0.00 0.00 0.00 175.10 174.53 2k3x s ASP 3 N -1.69 0.16 0.00 3.32 2.15 -1.26 -4.85 116.67 114.50 2k3x s ASP 3 Ca 0.76 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2k3x s ASP 3 Cb -0.28 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 2k3x s ASP 3 CO 0.31 -0.69 0.00 -0.11 -0.17 0.00 0.00 175.17 174.52 2k3x n LEU 4 N 0.07 0.00 0.19 -1.34 7.94 -1.26 -4.39 117.00 118.22 2k3x n LEU 4 Ca -0.15 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.78 2k3x n LEU 4 Cb 0.62 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.95 2k3x n LEU 4 CO 0.23 0.00 0.75 -0.33 -1.11 0.00 0.00 177.39 176.93 2k3x h GLU 5 N 0.00 0.00 0.00 1.96 4.39 -1.92 -2.66 114.58 116.34 2k3x h GLU 5 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2k3x h GLU 5 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k3x h GLU 5 CO 0.00 0.34 -0.23 0.37 -1.16 0.00 0.00 179.01 178.33 2k3x h GLN 6 N 0.00 0.00 -6.92 2.33 4.15 -1.78 -3.37 115.11 109.52 2k3x h GLN 6 Ca -0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.91 2k3x h GLN 6 Cb 0.61 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.34 2k3x h GLN 6 CO 0.04 0.23 0.49 -1.21 -1.93 0.00 0.00 178.83 176.45 2k3x s GLU 7 N -4.23 4.20 0.39 1.69 2.02 -1.01 -3.84 118.70 117.93 2k3x s GLU 7 Ca -0.03 1.79 -0.26 0.00 0.02 0.00 0.00 54.97 56.49 2k3x s GLU 7 Cb 0.14 -2.77 -0.11 0.00 0.10 0.00 0.00 34.13 31.49 2k3x s GLU 7 CO 0.66 -0.18 1.13 1.97 0.02 0.00 0.00 175.26 178.86 2k3x n PHE 8 N 0.29 1.64 -4.18 1.61 -1.74 -1.26 -4.64 117.46 109.18 2k3x n PHE 8 Ca 0.03 0.56 -0.18 0.00 -0.56 0.00 0.00 57.45 57.31 2k3x n PHE 8 Cb 0.46 -2.30 -0.12 0.00 1.52 0.00 0.00 39.48 39.04 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 -1.19 1.10 -0.67 1.98 0.00 -1.26 -5.00 121.76 116.71 2k3x s ALA 9 Ca 0.61 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 2k3x s ALA 9 Cb -0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2k3x s ALA 9 CO 0.58 0.15 1.80 -1.17 0.00 0.00 0.00 175.76 177.12 2k3x s LEU 10 N -1.65 3.26 0.00 0.00 0.20 -1.26 -0.77 118.68 118.46 2k3x s LEU 10 Ca -0.03 0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.88 2k3x s LEU 10 Cb -0.10 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.13 2k3x s LEU 10 CO 0.02 -2.35 0.00 0.61 -0.29 0.00 0.00 176.35 174.34 2k3x n GLY 11 N 5.84 0.71 3.78 7.98 0.00 -1.22 -5.07 105.19 117.21 2k3x n GLY 11 Ca 0.21 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.63 2.26 0.63 -0.02 0.00 0.05 -4.85 107.32 102.76 2k3x s GLY 12 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 44.72 45.20 2k3x s GLY 12 CO 0.00 0.92 1.00 -1.60 0.00 0.00 0.00 173.10 173.42 2k3x s ARG 13 N -3.90 3.14 0.36 2.90 3.52 -1.26 -1.93 118.95 121.78 2k3x s ARG 13 Ca 0.67 0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 56.60 2k3x s ARG 13 Cb -0.20 -2.13 0.02 0.00 -1.56 0.00 0.00 34.95 31.08 2k3x s ARG 13 CO 0.37 -0.75 0.61 0.00 -0.81 0.00 0.00 175.30 174.72 2k3x s LEU 15 N -3.16 1.19 -0.10 0.00 2.01 0.11 -0.16 118.68 118.58 2k3x s LEU 15 Ca 0.24 0.01 0.01 0.00 0.01 0.00 0.00 54.13 54.39 2k3x s LEU 15 Cb -0.02 -0.13 0.02 0.00 0.01 0.00 0.00 46.19 46.06 2k3x s LEU 15 CO 0.16 -0.10 -0.09 0.00 1.01 0.00 0.00 176.35 177.32 2k3x s ALA 16 N 0.96 1.33 -0.12 4.21 0.00 -0.49 -1.15 121.76 126.49 2k3x s ALA 16 Ca -0.09 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.09 2k3x s ALA 16 Cb -0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 2k3x s ALA 16 CO -0.02 -0.24 0.86 0.12 0.00 0.00 0.00 175.76 176.48 2k3x s PHE 17 N 1.34 3.49 -0.20 0.00 2.19 -0.32 -1.46 117.98 123.03 2k3x s PHE 17 Ca -0.02 1.37 -0.11 0.00 0.33 0.00 0.00 56.93 58.50 2k3x s PHE 17 Cb -0.14 -3.02 -0.20 0.00 -1.31 0.00 0.00 43.02 38.35 2k3x s PHE 17 CO -0.04 -0.15 0.09 0.72 1.83 0.00 0.00 175.22 177.67 2k3x n HIS 18 N 4.77 0.75 0.00 10.12 8.25 -0.03 -4.81 115.22 134.27 2k3x n HIS 18 Ca 0.04 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2k3x n HIS 18 Cb 0.49 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.52 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 1.72 0.54 0.24 -1.41 0.00 -1.26 -4.90 105.19 100.12 2k3x n GLY 19 Ca -0.38 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 0.37 0.00 1.61 0.13 -2.03 -3.46 132.00 128.62 2k3x h PRO 20 Ca 0.00 -0.12 -0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2k3x h PRO 20 Cb 0.00 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.05 2k3x h PRO 20 CO 0.00 0.56 -0.12 -0.11 -0.23 0.00 0.00 178.00 178.10 2k3x n LEU 21 N -4.17 0.00 -4.42 1.56 7.94 -1.26 -5.00 117.00 111.64 2k3x n LEU 21 Ca -0.00 -1.45 -0.26 0.00 -1.11 0.00 0.00 56.01 53.19 2k3x n LEU 21 Cb 0.35 1.12 -0.11 0.00 0.53 0.00 0.00 43.42 45.30 2k3x n LEU 21 CO 0.40 -0.30 -0.52 -0.32 -1.11 0.00 0.00 177.39 175.54 2k3x s MET 22 N -2.48 1.52 0.02 1.96 -2.45 -1.26 -0.85 119.30 115.77 2k3x s MET 22 Ca 0.16 -1.55 0.04 0.00 -1.25 0.00 0.00 55.69 53.09 2k3x s MET 22 Cb -0.00 -1.81 -0.02 0.00 1.25 0.00 0.00 34.83 34.26 2k3x s MET 22 CO 0.11 0.38 -0.12 0.71 1.05 0.00 0.00 175.02 177.16 2k3x s TYR 23 N -1.80 1.01 0.56 4.11 2.02 -0.54 -4.92 117.35 117.80 2k3x s TYR 23 Ca 0.22 -0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.42 2k3x s TYR 23 Cb -0.07 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2k3x s TYR 23 CO 0.10 0.00 1.25 -1.21 -1.57 0.00 0.00 175.55 174.12 2k3x s GLU 24 N -0.81 3.12 0.24 -0.62 2.02 -1.26 -1.40 118.70 119.99 2k3x s GLU 24 Ca 0.01 1.95 0.06 0.00 0.02 0.00 0.00 54.97 57.00 2k3x s GLU 24 Cb -0.06 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 2k3x s GLU 24 CO 0.00 -1.12 -0.06 0.00 0.02 0.00 0.00 175.26 174.11 2k3x s ALA 25 N -1.49 2.05 -0.29 5.21 0.00 0.78 -0.68 121.76 127.33 2k3x s ALA 25 Ca 0.74 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2k3x s ALA 25 Cb -0.33 0.24 0.15 0.00 0.00 0.00 0.00 23.12 23.17 2k3x s ALA 25 CO 0.38 -0.11 0.35 0.21 0.00 0.00 0.00 175.76 176.58 2k3x s LYS 26 N -3.76 0.36 0.38 0.00 2.20 -0.73 -1.31 119.74 116.88 2k3x s LYS 26 Ca 0.27 -0.02 -0.27 0.00 -0.36 0.00 0.00 55.97 55.59 2k3x s LYS 26 Cb 0.04 -0.50 -0.10 0.00 -1.51 0.00 0.00 37.83 35.76 2k3x s LYS 26 CO 0.09 -1.03 1.39 0.42 -0.36 0.00 0.00 175.35 175.86 2k3x s ILE 27 N 2.44 2.35 0.00 5.43 1.01 -0.81 -1.51 121.20 130.11 2k3x s ILE 27 Ca 0.09 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2k3x s ILE 27 Cb -0.13 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2k3x s ILE 27 CO -0.32 0.07 0.00 -0.11 0.00 0.00 0.00 174.94 174.58 2k3x n LEU 28 N 0.36 0.00 -4.66 2.97 7.94 -0.20 -3.43 117.00 119.98 2k3x n LEU 28 Ca 0.02 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.52 2k3x n LEU 28 Cb 0.41 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.30 2k3x n LEU 28 CO 0.60 -0.34 0.30 -0.75 -1.11 0.00 0.00 177.39 176.09 2k3x s LYS 29 N -0.68 4.21 -0.58 1.96 2.20 -1.14 -4.52 119.74 121.18 2k3x s LYS 29 Ca 0.00 0.52 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 2k3x s LYS 29 Cb 0.00 -3.56 0.15 0.00 -1.51 0.00 0.00 37.83 32.90 2k3x s LYS 29 CO 0.00 -0.18 0.35 0.96 -0.36 0.00 0.00 175.35 176.12 2k3x s ILE 30 N 1.72 3.10 0.56 5.43 -0.00 0.31 -0.75 121.20 131.56 2k3x s ILE 30 Ca 0.27 -3.22 -0.20 0.00 -0.00 0.00 0.00 60.65 57.49 2k3x s ILE 30 Cb -0.16 -3.08 -0.04 0.00 -0.00 0.00 0.00 42.46 39.18 2k3x s ILE 30 CO 0.10 -0.84 1.22 0.86 -0.00 0.00 0.00 174.94 176.28 2k3x s TRP 31 N -0.27 2.46 -0.21 1.37 -0.11 -0.04 -3.39 118.94 118.75 2k3x s TRP 31 Ca 0.17 1.50 -0.06 0.00 1.22 0.00 0.00 56.10 58.93 2k3x s TRP 31 Cb -0.23 -3.51 0.10 0.00 -1.50 0.00 0.00 33.47 28.33 2k3x s TRP 31 CO -0.02 -2.19 0.44 0.34 -4.62 0.00 0.00 176.95 170.89 2k3x s ASP 32 N -1.46 -0.30 0.06 5.86 -1.08 -1.05 -1.51 116.67 117.20 2k3x s ASP 32 Ca 0.74 0.94 0.08 0.00 -0.52 0.00 0.00 52.55 53.80 2k3x s ASP 32 Cb -0.31 1.42 0.39 0.00 -1.46 0.00 0.00 42.92 42.96 2k3x s ASP 32 CO 0.35 -0.24 1.26 -0.81 0.52 0.00 0.00 175.17 176.26 2k3x n PRO 33 N 5.39 0.03 0.26 4.34 -0.04 -1.26 -0.93 135.00 142.80 2k3x n PRO 33 Ca -0.08 0.45 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 2k3x n PRO 33 Cb 0.49 -1.59 0.70 0.00 -0.04 0.00 0.00 33.50 33.07 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 -3.03 113.55 112.14 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 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k3x h SER 34 CO 0.00 0.06 -0.76 -1.20 -1.14 0.00 0.00 176.83 173.79 2k3x n SER 35 N -4.16 2.93 -4.02 3.07 7.64 -0.87 -5.02 113.62 113.17 2k3x n SER 35 Ca -0.03 -0.19 -0.33 0.00 1.01 0.00 0.00 58.87 59.33 2k3x n SER 35 Cb 0.14 1.07 0.01 0.00 -1.01 0.00 0.00 64.21 64.42 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 -1.40 -4.60 -2.76 1.43 4.81 -0.10 -4.95 118.16 110.58 2k3x n LYS 36 Ca -0.00 0.51 -0.07 0.00 -0.87 0.00 0.00 58.31 57.88 2k3x n LYS 36 Cb 0.05 -5.35 -0.02 0.00 0.02 0.00 0.00 35.03 29.74 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2k3x n MET 37 N -4.56 0.25 -3.23 1.64 2.81 -1.25 -4.93 117.12 107.85 2k3x n MET 37 Ca 0.06 -1.31 -0.15 0.00 -1.81 0.00 0.00 57.70 54.49 2k3x n MET 37 Cb 0.51 1.18 -0.03 0.00 -0.71 0.00 0.00 33.22 34.17 2k3x n MET 37 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2k3x n TYR 38 N -0.26 0.54 -3.59 2.03 4.11 -1.26 -2.53 117.16 116.20 2k3x n TYR 38 Ca 0.02 -1.16 -0.11 0.00 -0.00 0.00 0.00 57.90 56.65 2k3x n TYR 38 Cb 0.26 -0.15 -0.06 0.00 -0.00 0.00 0.00 39.34 39.38 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2k3x s THR 39 N -1.85 0.00 0.24 -3.48 -4.23 -1.22 -3.57 115.64 101.53 2k3x s THR 39 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.33 2k3x s THR 39 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2k3x s THR 39 CO 0.00 0.00 0.60 -0.55 -0.54 0.00 0.00 174.62 174.13 2k3x s SER 40 N -0.59 -0.26 0.05 3.99 0.15 -1.26 -0.53 113.70 115.25 2k3x s SER 40 Ca -0.01 -0.57 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 2k3x s SER 40 Cb -0.02 0.64 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 2k3x s SER 40 CO -0.00 -1.18 0.08 0.27 1.20 0.00 0.00 173.24 173.61 2k3x s ILE 41 N -3.91 0.15 -1.26 6.45 -5.25 -1.26 -1.48 121.20 114.64 2k3x s ILE 41 Ca 0.12 -1.22 0.09 0.00 -0.99 0.00 0.00 60.65 58.64 2k3x s ILE 41 Cb -0.03 -1.03 0.37 0.00 2.95 0.00 0.00 42.46 44.72 2k3x s ILE 41 CO 0.02 -0.68 1.19 -0.81 -1.79 0.00 0.00 174.94 172.88 2k3x n PRO 42 N 0.59 2.43 -0.30 0.37 -0.04 -1.26 -4.42 135.00 132.37 2k3x n PRO 42 Ca -0.18 -1.45 0.22 0.00 -0.04 0.00 0.00 63.50 62.06 2k3x n PRO 42 Cb 0.59 -1.61 0.52 0.00 -0.04 0.00 0.00 33.50 32.97 2k3x n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3x h ASN 43 N 2.05 0.42 -5.01 3.54 -1.24 -1.95 -3.41 115.58 109.98 2k3x h ASN 43 Ca 0.00 0.07 -0.10 0.00 0.71 0.00 0.00 56.30 56.98 2k3x h ASN 43 Cb 0.89 -0.00 -0.19 0.00 0.73 0.00 0.00 38.32 39.75 2k3x h ASN 43 CO 0.13 0.10 -0.20 -0.62 -1.29 0.00 0.00 177.43 175.55 2k3x s ASP 44 N -5.35 -0.23 0.89 1.15 2.15 -1.26 -5.14 116.67 108.87 2k3x s ASP 44 Ca -0.08 0.07 -0.11 0.00 0.43 0.00 0.00 52.55 52.86 2k3x s ASP 44 Cb 0.24 0.36 0.12 0.00 -0.30 0.00 0.00 42.92 43.34 2k3x s ASP 44 CO 0.79 -0.53 1.11 2.29 -0.17 0.00 0.00 175.17 178.67 2k3x n LYS 45 N 1.00 -0.28 0.25 4.34 2.85 -1.26 -4.51 118.16 120.55 2k3x n LYS 45 Ca -0.20 -0.01 -0.16 0.00 -1.05 0.00 0.00 58.31 56.88 2k3x n LYS 45 Cb 0.57 -2.36 -0.08 0.00 -0.65 0.00 0.00 35.03 32.52 2k3x n LYS 45 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 2k3x h PRO 46 N -1.61 -0.77 0.00 -1.58 0.11 -1.88 -3.47 132.00 122.79 2k3x h PRO 46 Ca -0.44 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2k3x h PRO 46 Cb 1.28 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.56 2k3x h PRO 46 CO 0.42 -0.51 0.00 0.41 -0.21 0.00 0.00 178.00 178.10 2k3x n GLY 47 N -1.48 2.40 0.11 -0.55 0.00 -1.26 -4.58 105.19 99.82 2k3x n GLY 47 Ca -0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 2k3x n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3x h GLY 48 N 0.00 -0.14 -1.78 -0.02 0.00 -1.93 -3.46 103.07 95.74 2k3x h GLY 48 Ca 0.00 0.05 -0.51 0.00 0.00 0.00 0.00 47.33 46.87 2k3x h GLY 48 CO 0.00 -0.05 0.39 -0.56 0.00 0.00 0.00 176.54 176.32 2k3x s SER 49 N -5.61 5.08 0.30 0.19 0.01 -1.26 -4.96 113.70 107.43 2k3x s SER 49 Ca -0.10 2.09 0.03 0.00 1.31 0.00 0.00 55.95 59.28 2k3x s SER 49 Cb -0.00 -2.56 0.46 0.00 0.21 0.00 0.00 66.02 64.13 2k3x s SER 49 CO 0.38 -1.65 1.75 0.28 0.41 0.00 0.00 173.24 174.41 2k3x h SER 50 N 0.19 0.45 -4.87 2.44 0.02 -2.00 -3.40 113.55 106.39 2k3x h SER 50 Ca -0.47 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.37 2k3x h SER 50 Cb 1.26 -0.12 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 2k3x h SER 50 CO 0.54 0.68 0.32 -1.58 -1.14 0.00 0.00 176.83 175.65 2k3x s GLN 51 N -4.55 1.11 1.00 3.45 0.74 -1.26 -4.67 119.66 115.48 2k3x s GLN 51 Ca -0.07 -0.42 -0.17 0.00 0.05 0.00 0.00 55.36 54.76 2k3x s GLN 51 Cb 0.14 0.51 0.24 0.00 1.10 0.00 0.00 33.01 35.00 2k3x s GLN 51 CO 0.78 -0.49 1.12 0.00 -0.55 0.00 0.00 175.29 176.16 2k3x n ALA 52 N -0.33 -2.20 -3.70 1.58 0.00 -1.26 -4.84 120.51 109.76 2k3x n ALA 52 Ca -0.13 -1.55 -0.28 0.00 0.00 0.00 0.00 53.44 51.48 2k3x n ALA 52 Cb 0.64 -0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 2k3x n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k3x s THR 53 N -3.28 1.84 0.25 0.00 -4.23 -1.26 -4.68 115.64 104.28 2k3x s THR 53 Ca 0.67 -3.53 0.00 0.00 -1.18 0.00 0.00 61.69 57.65 2k3x s THR 53 Cb -0.04 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2k3x s THR 53 CO 0.49 -1.08 0.00 1.17 -0.54 0.00 0.00 174.62 174.66 2k3x n LYS 54 N 2.44 -2.22 -1.66 3.99 4.81 -1.26 -4.35 118.16 119.90 2k3x n LYS 54 Ca 0.22 1.46 -0.39 0.00 -0.87 0.00 0.00 58.31 58.74 2k3x n LYS 54 Cb 0.40 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.71 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k3x s GLU 55 N -1.73 2.50 -0.02 1.64 8.01 -1.26 -4.10 118.70 123.75 2k3x s GLU 55 Ca 0.00 1.47 -0.30 0.00 0.01 0.00 0.00 54.97 56.15 2k3x s GLU 55 Cb 0.00 -4.48 -0.03 0.00 -4.31 0.00 0.00 34.13 25.31 2k3x s GLU 55 CO 0.00 -2.82 1.10 0.42 0.01 0.00 0.00 175.26 173.97 2k3x s ILE 56 N 10.49 4.48 0.48 -1.63 1.01 -0.55 -4.99 121.20 130.49 2k3x s ILE 56 Ca 0.93 1.78 -0.21 0.00 0.00 0.00 0.00 60.65 63.15 2k3x s ILE 56 Cb -0.21 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 2k3x s ILE 56 CO 0.28 0.07 1.11 -0.54 0.00 0.00 0.00 174.94 175.86 2k3x s LYS 57 N 1.57 3.69 0.05 2.79 1.02 -1.26 -4.04 119.74 123.56 2k3x s LYS 57 Ca 0.54 1.60 -0.34 0.00 0.02 0.00 0.00 55.97 57.79 2k3x s LYS 57 Cb -0.23 -2.23 -0.13 0.00 -0.52 0.00 0.00 37.83 34.72 2k3x s LYS 57 CO 0.24 -0.57 1.74 -2.30 -0.92 0.00 0.00 175.35 173.55 2k3x n PRO 58 N -0.79 2.24 -4.06 -1.68 -0.02 -1.23 -4.81 135.00 124.64 2k3x n PRO 58 Ca 0.09 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.31 2k3x n PRO 58 Cb 0.50 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 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 2.52 0.57 0.60 -0.52 -1.52 -1.26 -4.97 119.66 115.08 2k3x s GLN 59 Ca 0.85 -1.09 -0.18 0.00 -1.95 0.00 0.00 55.36 52.99 2k3x s GLN 59 Cb -0.66 0.20 -0.08 0.00 -0.22 0.00 0.00 33.01 32.25 2k3x s GLN 59 CO 0.44 -0.11 0.53 1.17 -0.25 0.00 0.00 175.29 177.07 2k3x n LYS 60 N 0.37 0.48 -4.46 2.91 4.81 -1.26 -4.23 118.16 116.79 2k3x n LYS 60 Ca -0.16 0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.25 2k3x n LYS 60 Cb 0.60 -1.73 -0.10 0.00 0.02 0.00 0.00 35.03 33.81 2k3x n LYS 60 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2k3x s LEU 61 N 0.53 2.59 0.00 3.14 0.20 -1.26 -5.02 118.68 118.86 2k3x s LEU 61 Ca 0.68 -1.14 0.00 0.00 0.69 0.00 0.00 54.13 54.36 2k3x s LEU 61 Cb -0.43 -0.83 0.00 0.00 -0.43 0.00 0.00 46.19 44.50 2k3x s LEU 61 CO 0.55 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 177.01 2k3x n GLY 62 N -0.62 0.18 2.60 7.98 0.00 -1.26 -5.08 105.19 108.99 2k3x n GLY 62 Ca -0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2k3x n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k3x n GLU 63 N 0.00 2.03 -3.59 1.61 0.28 -1.26 -4.90 120.64 114.81 2k3x n GLU 63 Ca 0.00 -3.66 -0.20 0.00 -0.16 0.00 0.00 57.16 53.13 2k3x n GLU 63 Cb 0.00 -1.66 0.06 0.00 1.43 0.00 0.00 31.44 31.27 2k3x n GLU 63 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k3x n ASP 64 N -0.37 -2.33 -1.04 -1.84 2.03 -1.26 -4.92 116.55 106.81 2k3x n ASP 64 Ca 0.18 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2k3x n ASP 64 Cb 0.81 -4.62 -0.01 0.00 -0.72 0.00 0.00 41.12 36.58 2k3x n ASP 64 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k3x n GLU 65 N -4.31 0.00 -2.02 -0.67 2.13 -1.26 -5.10 120.64 109.40 2k3x n GLU 65 Ca -0.24 -1.32 -0.42 0.00 0.66 0.00 0.00 57.16 55.84 2k3x n GLU 65 Cb 0.65 -0.02 -0.03 0.00 0.27 0.00 0.00 31.44 32.31 2k3x n GLU 65 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k3x s SER 66 N -1.32 6.68 0.13 4.31 0.01 -1.26 -4.84 113.70 117.41 2k3x s SER 66 Ca 0.15 2.27 -0.31 0.00 1.31 0.00 0.00 55.95 59.37 2k3x s SER 66 Cb 0.17 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 2k3x s SER 66 CO -0.07 -0.89 1.37 0.27 0.41 0.00 0.00 173.24 174.33 2k3x s ILE 67 N 3.49 3.31 0.50 1.44 -0.00 -1.26 -5.03 121.20 123.66 2k3x s ILE 67 Ca 0.72 0.96 -0.20 0.00 -0.00 0.00 0.00 60.65 62.13 2k3x s ILE 67 Cb -0.34 -3.62 -0.08 0.00 -0.00 0.00 0.00 42.46 38.42 2k3x s ILE 67 CO 0.30 0.09 1.07 -2.16 -0.00 0.00 0.00 174.94 174.23 2k3x s PRO 68 N 0.87 3.67 0.59 0.37 0.04 -1.26 -4.91 135.00 134.37 2k3x s PRO 68 Ca 0.63 1.44 0.29 0.00 0.04 0.00 0.00 61.00 63.40 2k3x s PRO 68 Cb -0.37 -2.07 1.56 0.00 0.04 0.00 0.00 34.50 33.67 2k3x s PRO 68 CO 0.32 -0.56 2.00 0.93 0.04 0.00 0.00 177.00 179.73 2k3x h GLU 69 N 1.46 0.00 -0.96 4.56 3.07 -1.99 -1.54 114.58 119.17 2k3x h GLU 69 Ca -0.50 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.51 2k3x h GLU 69 Cb 1.23 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.06 2k3x h GLU 69 CO 0.58 0.00 0.61 1.49 -1.40 0.00 0.00 179.01 180.29 2k3x h GLU 70 N 0.00 0.78 0.00 2.33 4.57 -2.03 -3.12 114.58 117.11 2k3x h GLU 70 Ca 0.15 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.12 2k3x h GLU 70 Cb 0.83 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 2k3x h GLU 70 CO -0.00 0.51 -1.90 0.44 -1.18 0.00 0.00 179.01 176.88 2k3x n ILE 71 N -4.62 0.60 -0.31 2.32 -5.35 -0.60 -4.70 119.36 106.69 2k3x n ILE 71 Ca 0.19 -0.52 0.17 0.00 -0.27 0.00 0.00 62.75 62.32 2k3x n ILE 71 Cb 0.47 -0.30 0.42 0.00 -1.74 0.00 0.00 39.64 38.49 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 0.67 0.00 7.28 2.04 -1.43 -1.05 117.51 125.01 2k3x h ILE 72 Ca -0.24 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2k3x h ILE 72 Cb 1.43 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2k3x h ILE 72 CO 0.01 0.10 0.00 -0.46 0.00 0.00 0.00 178.15 177.81 2k3x n ASN 73 N -4.64 0.00 -4.23 1.72 0.23 -1.26 -4.14 115.26 102.94 2k3x n ASN 73 Ca 0.22 -0.59 -0.16 0.00 -0.53 0.00 0.00 54.58 53.51 2k3x n ASN 73 Cb 0.67 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.27 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 -1.88 1.76 0.34 4.83 0.00 -0.40 -4.94 107.32 107.03 2k3x s GLY 74 Ca 0.17 -1.82 -0.28 0.00 0.00 0.00 0.00 44.72 42.79 2k3x s GLY 74 CO 0.13 -1.56 1.38 0.28 0.00 0.00 0.00 173.10 173.33 2k3x n LYS 75 N -0.46 2.32 -5.20 2.90 5.02 -1.26 -4.44 118.16 117.04 2k3x n LYS 75 Ca 0.01 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.80 2k3x n LYS 75 Cb 0.66 -2.47 -0.17 0.00 -0.02 0.00 0.00 35.03 33.04 2k3x n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3x s PHE 77 N 0.23 3.51 -0.23 0.00 0.08 -0.01 -0.86 117.98 120.69 2k3x s PHE 77 Ca -0.15 -2.22 -0.29 0.00 0.12 0.00 0.00 56.93 54.39 2k3x s PHE 77 Cb -0.17 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.25 2k3x s PHE 77 CO 0.07 -0.93 1.92 0.12 -0.10 0.00 0.00 175.22 176.31 2k3x s PHE 78 N 1.19 1.59 0.07 0.36 5.36 0.07 -1.57 117.98 125.05 2k3x s PHE 78 Ca 0.05 0.47 0.08 0.00 -0.96 0.00 0.00 56.93 56.57 2k3x s PHE 78 Cb -0.22 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.39 2k3x s PHE 78 CO -0.03 -3.61 -0.20 0.96 -1.46 0.00 0.00 175.22 170.88 2k3x s ILE 79 N 6.79 1.65 -0.33 3.12 -4.36 -0.21 -1.03 121.20 126.83 2k3x s ILE 79 Ca 0.86 -1.34 -0.25 0.00 -0.26 0.00 0.00 60.65 59.66 2k3x s ILE 79 Cb -0.29 -1.47 0.01 0.00 1.25 0.00 0.00 42.46 41.97 2k3x s ILE 79 CO 0.34 0.07 0.85 -2.28 0.24 0.00 0.00 174.94 174.16 2k3x s HIS 80 N -0.97 3.16 -0.50 1.37 5.65 -0.57 -2.20 115.29 121.22 2k3x s HIS 80 Ca 0.06 0.81 -0.28 0.00 0.25 0.00 0.00 55.06 55.91 2k3x s HIS 80 Cb -0.09 -3.39 0.01 0.00 -1.18 0.00 0.00 32.58 27.92 2k3x s HIS 80 CO 0.03 -0.67 1.42 0.71 -0.65 0.00 0.00 174.74 175.58 2k3x s TYR 81 N 3.17 2.32 0.55 3.88 2.02 -1.24 -1.77 117.35 126.28 2k3x s TYR 81 Ca 0.35 0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 57.46 2k3x s TYR 81 Cb -0.13 -4.36 -0.06 0.00 -0.40 0.00 0.00 41.96 37.01 2k3x s TYR 81 CO 0.15 -1.98 1.01 -0.65 -1.57 0.00 0.00 175.55 172.51 2k3x s GLN 82 N 5.31 3.74 0.00 -0.62 -0.21 0.14 -2.90 119.66 125.12 2k3x s GLN 82 Ca 0.56 0.99 0.00 0.00 0.02 0.00 0.00 55.36 56.93 2k3x s GLN 82 Cb -0.12 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.79 2k3x s GLN 82 CO 0.28 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.41 2k3x n GLY 83 N -1.59 0.45 3.28 3.09 0.00 -1.26 -4.24 105.19 104.92 2k3x n GLY 83 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.24 1.38 0.43 1.61 0.52 -1.14 -5.13 118.94 114.37 2k3x s TRP 84 Ca 0.00 -1.09 -0.26 0.00 0.02 0.00 0.00 56.10 54.77 2k3x s TRP 84 Cb 0.00 -0.79 -0.09 0.00 -1.15 0.00 0.00 33.47 31.44 2k3x s TRP 84 CO 0.00 -0.26 1.42 1.63 0.02 0.00 0.00 176.95 179.76 2k3x n LYS 85 N -0.35 2.29 0.08 4.98 4.76 -1.26 -4.87 118.16 123.79 2k3x n LYS 85 Ca -0.03 0.81 0.05 0.00 -2.87 0.00 0.00 58.31 56.27 2k3x n LYS 85 Cb 0.65 -2.61 0.27 0.00 -1.84 0.00 0.00 35.03 31.50 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 -0.02 0.26 0.26 4.39 7.64 -1.26 -0.82 113.62 124.07 2k3x n SER 86 Ca 0.05 0.59 0.17 0.00 1.01 0.00 0.00 58.87 60.69 2k3x n SER 86 Cb 0.41 -0.62 0.92 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.12 6.43 0.02 -1.97 -1.02 113.55 116.89 2k3x h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 87 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k3x h SER 87 CO 0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 2k3x n TRP 88 N -3.64 0.30 -1.85 3.45 7.02 -0.00 -4.76 117.44 117.96 2k3x n TRP 88 Ca -0.01 -0.12 -0.32 0.00 -1.02 0.00 0.00 57.50 56.03 2k3x n TRP 88 Cb 0.21 -0.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.53 4.84 -0.01 -0.99 1.01 -0.39 -3.73 116.67 116.87 2k3x s ASP 89 Ca 0.10 0.29 -0.04 0.00 0.71 0.00 0.00 52.55 53.60 2k3x s ASP 89 Cb 0.07 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 2k3x s ASP 89 CO 0.05 -2.79 0.09 -0.70 0.21 0.00 0.00 175.17 172.02 2k3x s GLU 90 N 7.61 0.34 0.48 8.23 2.12 -0.93 -4.91 118.70 131.63 2k3x s GLU 90 Ca 0.79 -0.29 -0.19 0.00 0.36 0.00 0.00 54.97 55.63 2k3x s GLU 90 Cb -0.13 0.14 -0.09 0.00 0.26 0.00 0.00 34.13 34.31 2k3x s GLU 90 CO 0.16 -0.07 0.98 -1.58 -0.54 0.00 0.00 175.26 174.21 2k3x s TRP 91 N -0.99 3.27 0.09 5.30 0.52 -1.26 -1.04 118.94 124.83 2k3x s TRP 91 Ca -0.11 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.60 2k3x s TRP 91 Cb -0.06 -2.88 -0.03 0.00 -1.15 0.00 0.00 33.47 29.34 2k3x s TRP 91 CO 0.01 -0.40 -0.10 0.14 0.02 0.00 0.00 176.95 176.62 2k3x s VAL 92 N -2.30 0.88 0.65 4.03 -7.23 -0.61 -4.88 120.40 110.93 2k3x s VAL 92 Ca 0.62 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.17 2k3x s VAL 92 Cb -0.11 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.61 2k3x s VAL 92 CO 0.21 -0.53 0.96 -0.83 -0.31 0.00 0.00 175.10 174.60 2k3x s GLY 93 N -2.32 1.66 0.60 2.32 0.00 -1.26 -0.83 107.32 107.49 2k3x s GLY 93 Ca 0.03 -0.84 0.37 0.00 0.00 0.00 0.00 44.72 44.28 2k3x s GLY 93 CO -0.00 -0.49 2.22 -1.82 0.00 0.00 0.00 173.10 173.00 2k3x h TYR 94 N -0.39 0.00 -0.03 1.90 5.03 -1.81 -0.54 116.97 121.13 2k3x h TYR 94 Ca -0.45 0.00 0.01 0.00 2.58 0.00 0.00 58.73 60.87 2k3x h TYR 94 Cb 1.29 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.57 2k3x h TYR 94 CO 0.40 0.03 0.13 0.38 -1.32 0.00 0.00 178.16 177.77 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 2.03 -1.93 -3.18 116.42 111.23 2k3x h ASP 95 Ca -0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 2k3x h ASP 95 Cb 0.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 2k3x h ASP 95 CO 0.00 0.00 -1.45 0.54 -1.03 0.00 0.00 179.24 177.31 2k3x n ARG 96 N -3.22 0.89 -4.04 4.15 5.12 -0.32 -4.96 116.66 114.28 2k3x n ARG 96 Ca -0.02 0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 55.68 2k3x n ARG 96 Cb 0.20 -1.16 -0.04 0.00 -1.16 0.00 0.00 32.46 30.30 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2k3x s ILE 97 N -2.16 4.74 0.05 0.55 2.07 -0.56 -1.17 121.20 124.72 2k3x s ILE 97 Ca -0.09 -1.01 -0.02 0.00 -1.41 0.00 0.00 60.65 58.12 2k3x s ILE 97 Cb 0.03 -3.45 -0.03 0.00 0.13 0.00 0.00 42.46 39.13 2k3x s ILE 97 CO 0.20 -0.14 0.01 -0.13 -1.91 0.00 0.00 174.94 172.97 2k3x s ARG 98 N -3.27 0.59 1.02 3.50 0.52 -0.30 -4.57 118.95 116.45 2k3x s ARG 98 Ca 0.32 -1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 54.33 2k3x s ARG 98 Cb -0.10 0.21 0.20 0.00 0.52 0.00 0.00 34.95 35.79 2k3x s ARG 98 CO 0.25 -0.12 1.16 0.00 0.02 0.00 0.00 175.30 176.61 2k3x s ALA 99 N -3.43 1.38 -0.01 2.13 0.00 -1.25 -0.71 121.76 119.88 2k3x s ALA 99 Ca 0.02 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2k3x s ALA 99 Cb 0.04 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2k3x s ALA 99 CO -0.08 -2.80 1.39 -0.47 0.00 0.00 0.00 175.76 173.80 2k3x s TYR 100 N -3.27 2.86 0.13 0.00 5.04 0.13 -4.55 117.35 117.69 2k3x s TYR 100 Ca 0.68 0.83 -0.25 0.00 -2.44 0.00 0.00 57.07 55.89 2k3x s TYR 100 Cb -0.12 -3.65 0.07 0.00 0.35 0.00 0.00 41.96 38.61 2k3x s TYR 100 CO 0.55 -2.39 0.87 0.54 -1.34 0.00 0.00 175.55 173.78 2k3x s ASN 101 N 1.88 -0.28 0.42 4.32 2.20 -1.26 -4.45 114.94 117.78 2k3x s ASN 101 Ca 0.63 -0.29 0.17 0.00 -0.94 0.00 0.00 52.86 52.43 2k3x s ASN 101 Cb -0.31 0.51 0.92 0.00 -2.00 0.00 0.00 41.25 40.37 2k3x s ASN 101 CO 0.26 -0.90 1.89 -0.33 -2.94 0.00 0.00 177.10 175.08 2k3x h GLU 102 N 2.00 0.00 -0.45 3.55 5.08 -1.98 -0.79 114.58 121.99 2k3x h GLU 102 Ca -0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 2k3x h GLU 102 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2k3x h GLU 102 CO 0.28 0.29 -0.23 1.49 -1.00 0.00 0.00 179.01 179.84 2k3x h GLU 103 N 0.00 0.94 0.00 2.33 4.81 -1.98 0.12 114.58 120.80 2k3x h GLU 103 Ca -0.00 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2k3x h GLU 103 Cb 0.57 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2k3x h GLU 103 CO 0.04 1.06 -0.21 -0.91 -0.73 0.00 0.00 179.01 178.26 2k3x h ASN 104 N 0.81 0.00 1.19 1.04 2.35 -1.63 -1.38 115.58 117.95 2k3x h ASN 104 Ca 0.10 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 2k3x h ASN 104 Cb 0.79 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 2k3x h ASN 104 CO 0.07 0.21 -0.83 0.40 -1.65 0.00 0.00 177.43 175.62 2k3x h ILE 105 N 0.00 1.17 -0.63 2.81 1.08 -0.85 0.65 117.51 121.74 2k3x h ILE 105 Ca -0.00 -2.71 -0.06 0.00 -0.39 0.00 0.00 64.86 61.70 2k3x h ILE 105 Cb 0.82 2.56 -0.03 0.00 -3.07 0.00 0.00 36.82 37.11 2k3x h ILE 105 CO 0.03 0.67 0.17 0.00 -0.69 0.00 0.00 178.15 178.32 2k3x h ALA 106 N 1.27 0.83 -0.39 1.87 0.00 -0.28 0.20 119.26 122.75 2k3x h ALA 106 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k3x h ALA 106 Cb 1.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2k3x h ALA 106 CO 0.09 0.53 0.20 0.00 0.00 0.00 0.00 179.25 180.06 2k3x h MET 107 N 0.92 0.56 0.66 0.00 -0.00 -1.19 -1.67 114.93 114.21 2k3x h MET 107 Ca 0.20 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.70 59.79 2k3x h MET 107 Cb 0.34 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2k3x h MET 107 CO -0.00 0.49 -0.39 -0.22 -0.00 0.00 0.00 176.91 176.78 2k3x h LYS 108 N 0.50 -0.95 -0.58 -0.10 1.63 -0.38 -0.35 116.57 116.33 2k3x h LYS 108 Ca 0.14 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2k3x h LYS 108 Cb 0.10 0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2k3x h LYS 108 CO -0.02 -0.64 0.27 1.57 -3.45 0.00 0.00 179.45 177.19 2k3x h LYS 109 N -0.99 0.85 -0.28 1.90 2.10 -0.64 0.14 116.57 119.65 2k3x h LYS 109 Ca -0.08 -0.13 0.03 0.00 -2.00 0.00 0.00 60.65 58.46 2k3x h LYS 109 Cb 0.79 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.94 2k3x h LYS 109 CO 0.10 0.70 0.09 -0.09 -2.00 0.00 0.00 179.45 178.25 2k3x h ARG 110 N 0.80 0.21 -0.06 0.07 1.12 -1.25 -2.45 114.38 112.81 2k3x h ARG 110 Ca 0.20 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 2k3x h ARG 110 Cb 0.14 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.05 2k3x h ARG 110 CO -0.02 0.14 0.04 -0.07 -3.11 0.00 0.00 179.97 176.95 2k3x h LEU 111 N 0.22 0.07 -1.19 3.80 3.38 -0.65 -2.57 115.31 118.37 2k3x h LEU 111 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k3x h LEU 111 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2k3x h LEU 111 CO -0.13 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.45 2k3x n ALA 112 N -2.11 1.09 0.19 1.53 0.00 0.46 -0.65 120.51 121.02 2k3x n ALA 112 Ca -0.06 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2k3x n ALA 112 Cb 0.03 -1.28 0.39 0.00 0.00 0.00 0.00 19.45 18.59 2k3x n ALA 112 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k3x h ASN 113 N 0.00 0.00 0.03 0.00 7.08 -1.01 -3.20 115.58 118.48 2k3x h ASN 113 Ca 0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 2k3x h ASN 113 Cb 0.03 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.29 2k3x h ASN 113 CO 0.00 0.36 -0.84 0.25 -2.08 0.00 0.00 177.43 175.12 2k3x h LEU 114 N 0.00 0.69 0.00 6.14 5.85 -1.02 -3.52 115.31 123.45 2k3x h LEU 114 Ca -0.00 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.94 2k3x h LEU 114 Cb 0.72 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2k3x h LEU 114 CO 0.05 1.38 0.00 1.21 -0.34 0.00 0.00 178.44 180.74