#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 -2.25 0.00 1.12 0.24 -1.26 -4.87 118.33 111.31 2k3x n VAL 2 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2k3x n VAL 2 Cb 0.00 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 30.45 2k3x n VAL 2 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k3x n ASP 3 N -1.71 3.79 0.00 -1.34 2.03 -1.26 -4.89 116.55 113.17 2k3x n ASP 3 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2k3x n ASP 3 Cb 0.49 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 2k3x n ASP 3 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k3x n LEU 4 N -1.56 0.00 0.26 -2.67 7.94 -1.26 -4.92 117.00 114.79 2k3x n LEU 4 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 2k3x n LEU 4 Cb 0.32 0.00 0.70 0.00 0.53 0.00 0.00 43.42 44.96 2k3x n LEU 4 CO 0.00 0.00 0.97 -0.33 -1.11 0.00 0.00 177.39 176.92 2k3x h GLU 5 N 0.00 0.00 0.00 1.96 3.07 -1.90 -1.89 114.58 115.82 2k3x h GLU 5 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2k3x h GLU 5 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2k3x h GLU 5 CO 0.00 0.13 -0.22 0.37 -1.40 0.00 0.00 179.01 177.88 2k3x h GLN 6 N 0.00 0.00 -7.12 2.33 4.15 -1.87 -3.33 115.11 109.27 2k3x h GLN 6 Ca -0.00 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.95 2k3x h GLN 6 Cb 0.31 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.03 2k3x h GLN 6 CO 0.02 0.09 0.37 -1.21 -1.93 0.00 0.00 178.83 176.17 2k3x s GLU 7 N -3.18 3.77 0.44 1.69 2.02 -0.71 -4.03 118.70 118.69 2k3x s GLU 7 Ca 0.05 1.22 -0.25 0.00 0.02 0.00 0.00 54.97 56.02 2k3x s GLU 7 Cb 0.06 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 32.10 2k3x s GLU 7 CO 0.70 -0.44 1.25 1.97 0.02 0.00 0.00 175.26 178.76 2k3x n PHE 8 N -1.28 2.02 -4.14 1.61 -1.74 -1.26 -4.60 117.46 108.08 2k3x n PHE 8 Ca 0.08 0.50 -0.15 0.00 -0.56 0.00 0.00 57.45 57.32 2k3x n PHE 8 Cb 0.53 -2.35 -0.11 0.00 1.52 0.00 0.00 39.48 39.06 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 -1.22 0.95 -1.10 1.98 0.00 -1.26 -5.01 121.76 116.10 2k3x s ALA 9 Ca 0.63 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 2k3x s ALA 9 Cb -0.50 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2k3x s ALA 9 CO 0.57 0.04 1.70 -0.51 0.00 0.00 0.00 175.76 177.56 2k3x s LEU 10 N -1.90 3.46 0.00 0.00 2.01 -1.26 -1.01 118.68 119.98 2k3x s LEU 10 Ca -0.02 -1.60 0.00 0.00 0.01 0.00 0.00 54.13 52.52 2k3x s LEU 10 Cb -0.08 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.55 2k3x s LEU 10 CO 0.01 -1.89 0.00 0.61 1.01 0.00 0.00 176.35 176.09 2k3x n GLY 11 N 6.32 1.01 3.75 -3.19 0.00 -1.25 -4.96 105.19 106.88 2k3x n GLY 11 Ca 0.40 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.57 1.60 0.71 -0.02 0.00 -0.18 -4.86 107.32 102.00 2k3x s GLY 12 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.37 2k3x s GLY 12 CO 0.00 0.23 1.02 0.50 0.00 0.00 0.00 173.10 174.84 2k3x s ARG 13 N -5.10 2.09 0.37 2.90 0.52 -1.26 -1.97 118.95 116.50 2k3x s ARG 13 Ca 0.63 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 55.38 2k3x s ARG 13 Cb -0.16 -2.18 0.04 0.00 0.52 0.00 0.00 34.95 33.17 2k3x s ARG 13 CO 0.55 -1.29 0.68 0.00 0.02 0.00 0.00 175.30 175.26 2k3x s LEU 15 N -3.13 1.76 -0.01 0.00 2.01 0.11 -0.32 118.68 119.11 2k3x s LEU 15 Ca 0.20 0.04 0.03 0.00 0.01 0.00 0.00 54.13 54.41 2k3x s LEU 15 Cb -0.04 0.04 -0.01 0.00 0.01 0.00 0.00 46.19 46.20 2k3x s LEU 15 CO 0.14 -0.03 -0.09 0.00 1.01 0.00 0.00 176.35 177.38 2k3x s ALA 16 N 0.22 0.76 -0.18 4.21 0.00 0.06 -1.00 121.76 125.83 2k3x s ALA 16 Ca -0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 2k3x s ALA 16 Cb -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2k3x s ALA 16 CO -0.01 0.18 0.19 -0.06 0.00 0.00 0.00 175.76 176.07 2k3x s PHE 17 N -0.24 3.43 -0.17 0.00 0.08 -0.12 -0.97 117.98 119.99 2k3x s PHE 17 Ca 0.03 0.44 -0.09 0.00 0.12 0.00 0.00 56.93 57.43 2k3x s PHE 17 Cb -0.04 -2.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.11 2k3x s PHE 17 CO -0.00 0.28 -0.23 0.72 -0.10 0.00 0.00 175.22 175.89 2k3x n HIS 18 N 3.50 0.00 0.00 0.36 8.25 -0.71 -4.79 115.22 121.83 2k3x n HIS 18 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2k3x n HIS 18 Cb 0.52 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 1.89 -0.50 0.34 -1.41 0.00 -1.26 -4.94 105.19 99.31 2k3x n GLY 19 Ca -0.33 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.99 0.00 1.61 0.11 -2.03 -3.46 132.00 129.23 2k3x h PRO 20 Ca 0.00 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 2k3x h PRO 20 Cb 0.00 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 2k3x h PRO 20 CO 0.00 0.66 -0.05 -0.11 -0.21 0.00 0.00 178.00 178.29 2k3x n LEU 21 N -4.60 0.00 -4.32 2.35 7.94 -1.26 -4.98 117.00 112.14 2k3x n LEU 21 Ca 0.14 -1.24 -0.25 0.00 -1.11 0.00 0.00 56.01 53.55 2k3x n LEU 21 Cb 0.21 1.17 -0.13 0.00 0.53 0.00 0.00 43.42 45.20 2k3x n LEU 21 CO 0.30 -0.29 -0.53 -0.32 -1.11 0.00 0.00 177.39 175.44 2k3x s MET 22 N -2.32 1.21 0.29 1.96 -2.45 -1.26 -1.74 119.30 114.99 2k3x s MET 22 Ca 0.12 -1.23 0.05 0.00 -1.25 0.00 0.00 55.69 53.38 2k3x s MET 22 Cb -0.01 -1.52 -0.06 0.00 1.25 0.00 0.00 34.83 34.49 2k3x s MET 22 CO 0.09 0.35 0.01 0.71 1.05 0.00 0.00 175.02 177.23 2k3x s TYR 23 N -1.19 1.89 0.46 4.11 2.02 -0.15 -4.92 117.35 119.58 2k3x s TYR 23 Ca 0.09 -0.87 -0.19 0.00 -0.37 0.00 0.00 57.07 55.73 2k3x s TYR 23 Cb -0.10 -1.17 -0.10 0.00 -0.40 0.00 0.00 41.96 40.19 2k3x s TYR 23 CO 0.05 0.09 0.96 -1.21 -1.57 0.00 0.00 175.55 173.86 2k3x s GLU 24 N -3.83 4.12 0.11 -0.62 2.02 -1.25 -0.76 118.70 118.48 2k3x s GLU 24 Ca 0.33 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.36 2k3x s GLU 24 Cb 0.07 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 2k3x s GLU 24 CO 0.13 -0.12 -0.01 0.00 0.02 0.00 0.00 175.26 175.29 2k3x s ALA 25 N -2.34 0.88 -0.24 5.21 0.00 0.56 -0.86 121.76 124.96 2k3x s ALA 25 Ca 0.61 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2k3x s ALA 25 Cb -0.09 0.48 0.12 0.00 0.00 0.00 0.00 23.12 23.62 2k3x s ALA 25 CO 0.20 -0.37 0.29 0.21 0.00 0.00 0.00 175.76 176.09 2k3x s LYS 26 N -3.94 0.28 0.19 0.00 2.20 -0.59 -1.01 119.74 116.86 2k3x s LYS 26 Ca 0.16 0.16 -0.32 0.00 -0.36 0.00 0.00 55.97 55.61 2k3x s LYS 26 Cb 0.07 -0.83 -0.12 0.00 -1.51 0.00 0.00 37.83 35.43 2k3x s LYS 26 CO -0.03 -0.79 1.71 -0.89 -0.36 0.00 0.00 175.35 174.99 2k3x n ILE 27 N 5.33 0.04 0.02 5.43 5.41 -0.83 -1.50 119.36 133.26 2k3x n ILE 27 Ca -0.04 -0.01 -0.00 0.00 1.00 0.00 0.00 62.75 63.70 2k3x n ILE 27 Cb 0.49 -1.90 -0.00 0.00 -0.71 0.00 0.00 39.64 37.52 2k3x n ILE 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k3x n LEU 28 N 4.04 0.58 -4.57 1.39 7.94 0.52 -3.91 117.00 122.99 2k3x n LEU 28 Ca 0.16 0.08 -0.34 0.00 -1.11 0.00 0.00 56.01 54.80 2k3x n LEU 28 Cb 0.34 -0.20 -0.11 0.00 0.53 0.00 0.00 43.42 43.98 2k3x n LEU 28 CO 0.64 -0.61 -0.30 -0.54 -1.11 0.00 0.00 177.39 175.47 2k3x s LYS 29 N -1.52 3.83 -0.96 1.96 1.02 -1.06 -4.21 119.74 118.79 2k3x s LYS 29 Ca -0.01 -0.43 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 2k3x s LYS 29 Cb 0.00 -3.08 0.24 0.00 -0.52 0.00 0.00 37.83 34.48 2k3x s LYS 29 CO 0.01 0.25 0.91 0.42 -0.92 0.00 0.00 175.35 176.02 2k3x s ILE 30 N 0.39 5.54 0.45 2.17 -1.09 0.47 -1.29 121.20 127.84 2k3x s ILE 30 Ca -0.00 -3.10 -0.23 0.00 -2.23 0.00 0.00 60.65 55.09 2k3x s ILE 30 Cb -0.13 -4.38 -0.08 0.00 -1.58 0.00 0.00 42.46 36.29 2k3x s ILE 30 CO 0.02 -1.10 1.11 0.86 -1.23 0.00 0.00 174.94 174.60 2k3x s TRP 31 N -0.69 2.99 -0.23 3.97 -0.11 0.32 -2.03 118.94 123.17 2k3x s TRP 31 Ca 0.25 1.57 -0.04 0.00 1.22 0.00 0.00 56.10 59.11 2k3x s TRP 31 Cb -0.10 -3.25 0.12 0.00 -1.50 0.00 0.00 33.47 28.74 2k3x s TRP 31 CO -0.09 -1.16 0.38 0.34 -4.62 0.00 0.00 176.95 171.81 2k3x s ASP 32 N -1.54 0.14 0.15 5.86 2.15 -0.79 -1.58 116.67 121.06 2k3x s ASP 32 Ca 0.63 0.40 0.11 0.00 0.43 0.00 0.00 52.55 54.12 2k3x s ASP 32 Cb -0.25 1.15 0.58 0.00 -0.30 0.00 0.00 42.92 44.11 2k3x s ASP 32 CO 0.30 -0.28 1.34 -0.81 -0.17 0.00 0.00 175.17 175.54 2k3x n PRO 33 N 5.37 0.07 0.30 4.34 -0.04 -1.26 -1.11 135.00 142.68 2k3x n PRO 33 Ca -0.05 0.55 0.19 0.00 -0.04 0.00 0.00 63.50 64.15 2k3x n PRO 33 Cb 0.50 -1.72 0.93 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.10 113.55 112.08 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 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2k3x h SER 34 CO 0.00 0.02 -0.18 -1.20 -1.14 0.00 0.00 176.83 174.33 2k3x n SER 35 N -3.16 0.89 -3.97 3.07 7.64 -0.89 -5.03 113.62 112.17 2k3x n SER 35 Ca -0.01 -0.23 -0.27 0.00 1.01 0.00 0.00 58.87 59.37 2k3x n SER 35 Cb 0.19 0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 64.01 2k3x n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3x n LYS 36 N -0.72 -3.62 -1.82 1.43 5.02 -0.27 -4.98 118.16 113.20 2k3x n LYS 36 Ca 0.00 0.44 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 2k3x n LYS 36 Cb 0.00 -4.77 -0.00 0.00 -0.02 0.00 0.00 35.03 30.23 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k3x n MET 37 N -4.41 0.06 -2.72 1.97 2.81 -1.23 -4.70 117.12 108.90 2k3x n MET 37 Ca -0.21 -0.24 -0.08 0.00 -1.81 0.00 0.00 57.70 55.36 2k3x n MET 37 Cb 0.64 0.23 -0.02 0.00 -0.71 0.00 0.00 33.22 33.36 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 -0.05 0.03 -4.01 2.03 0.18 -1.26 -1.88 117.16 112.20 2k3x n TYR 38 Ca 0.00 -0.79 -0.09 0.00 1.88 0.00 0.00 57.90 58.90 2k3x n TYR 38 Cb 0.05 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.95 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 -2.01 0.00 0.22 -3.48 -4.23 -0.86 -3.66 115.64 101.62 2k3x s THR 39 Ca 0.06 -1.45 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 2k3x s THR 39 Cb 0.00 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.67 2k3x s THR 39 CO 0.05 -0.01 0.63 -0.55 -0.54 0.00 0.00 174.62 174.19 2k3x s SER 40 N -3.03 -0.37 -0.00 3.99 0.15 -1.26 -0.39 113.70 112.79 2k3x s SER 40 Ca 0.24 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.57 2k3x s SER 40 Cb 0.00 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2k3x s SER 40 CO 0.09 -1.15 -0.18 0.27 1.20 0.00 0.00 173.24 173.47 2k3x s ILE 41 N -3.85 1.43 -2.27 6.45 -5.25 -1.26 -1.42 121.20 115.04 2k3x s ILE 41 Ca 0.07 -0.84 0.24 0.00 -0.99 0.00 0.00 60.65 59.13 2k3x s ILE 41 Cb -0.03 -1.21 0.55 0.00 2.95 0.00 0.00 42.46 44.72 2k3x s ILE 41 CO -0.02 0.35 1.71 -0.81 -1.79 0.00 0.00 174.94 174.38 2k3x n PRO 42 N 2.48 1.51 0.05 0.37 -0.04 -1.26 -3.68 135.00 134.43 2k3x n PRO 42 Ca -0.15 -0.75 0.07 0.00 -0.04 0.00 0.00 63.50 62.63 2k3x n PRO 42 Cb 0.54 -1.42 0.31 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.06 0.23 -4.20 3.54 5.15 -1.26 -4.69 115.26 113.97 2k3x n ASN 43 Ca 0.18 0.57 -0.12 0.00 -0.60 0.00 0.00 54.58 54.61 2k3x n ASN 43 Cb 0.27 -0.62 -0.10 0.00 -0.53 0.00 0.00 39.78 38.80 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 -3.42 0.94 0.10 1.20 2.15 -1.24 -5.09 116.67 111.30 2k3x s ASP 44 Ca 0.03 -1.15 0.08 0.00 0.43 0.00 0.00 52.55 51.94 2k3x s ASP 44 Cb 0.07 0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.82 2k3x s ASP 44 CO 0.22 -0.60 -0.21 -0.54 -0.17 0.00 0.00 175.17 173.87 2k3x s LYS 45 N -3.94 1.15 0.06 4.34 1.02 -1.26 -4.35 119.74 116.75 2k3x s LYS 45 Ca 0.22 -1.16 -0.33 0.00 0.02 0.00 0.00 55.97 54.72 2k3x s LYS 45 Cb 0.06 -1.42 -0.19 0.00 -0.52 0.00 0.00 37.83 35.77 2k3x s LYS 45 CO 0.02 0.33 1.54 -1.00 -0.92 0.00 0.00 175.35 175.32 2k3x h PRO 46 N 4.11 -0.92 0.00 -1.68 0.13 -1.93 -3.45 132.00 128.26 2k3x h PRO 46 Ca -0.46 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k3x h PRO 46 Cb 1.18 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2k3x h PRO 46 CO 0.40 -0.60 0.00 0.41 -0.23 0.00 0.00 178.00 177.98 2k3x n GLY 47 N -1.35 0.00 0.00 1.56 0.00 -1.26 -4.80 105.19 99.33 2k3x n GLY 47 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.25 0.00 -0.02 0.00 -1.26 -5.04 105.19 98.62 2k3x n GLY 48 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 45.05 2k3x n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3x n SER 49 N 0.00 0.00 0.30 1.61 7.64 -1.26 -2.70 113.62 119.21 2k3x n SER 49 Ca 0.00 -0.83 0.20 0.00 1.01 0.00 0.00 58.87 59.25 2k3x n SER 49 Cb 0.00 0.00 0.97 0.00 -1.01 0.00 0.00 64.21 64.17 2k3x n SER 49 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3x h SER 50 N 0.00 0.00 -1.19 6.43 0.02 -2.01 -3.47 113.55 113.34 2k3x h SER 50 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2k3x h SER 50 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2k3x h SER 50 CO 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 175.55 2k3x n GLN 51 N -2.98 -1.39 -1.50 3.45 10.64 -1.10 -1.09 117.38 123.40 2k3x n GLN 51 Ca -0.02 0.49 -0.16 0.00 -1.83 0.00 0.00 57.00 55.49 2k3x n GLN 51 Cb 0.15 -4.50 -0.07 0.00 -0.86 0.00 0.00 30.24 24.96 2k3x n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k3x n ALA 52 N 0.19 -0.26 -0.82 2.61 0.00 -1.26 -4.24 120.51 116.73 2k3x n ALA 52 Ca -0.07 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k3x n ALA 52 Cb 0.30 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2k3x n ALA 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3x n THR 53 N -2.58 0.00 -3.57 0.00 -1.04 -0.25 -4.49 114.28 102.35 2k3x n THR 53 Ca -0.16 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.78 2k3x n THR 53 Cb 0.54 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.07 2k3x n THR 53 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2k3x n LYS 54 N 0.00 0.72 -1.59 -2.82 4.81 -1.26 -4.87 118.16 113.15 2k3x n LYS 54 Ca 0.00 -1.53 -0.40 0.00 -0.87 0.00 0.00 58.31 55.51 2k3x n LYS 54 Cb 0.00 1.85 -0.03 0.00 0.02 0.00 0.00 35.03 36.87 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 -2.12 2.69 0.03 1.64 8.01 -1.26 -4.06 118.70 123.63 2k3x s GLU 55 Ca 0.12 1.75 -0.30 0.00 0.01 0.00 0.00 54.97 56.55 2k3x s GLU 55 Cb -0.03 -4.46 -0.04 0.00 -4.31 0.00 0.00 34.13 25.29 2k3x s GLU 55 CO 0.09 -2.61 0.98 0.42 0.01 0.00 0.00 175.26 174.15 2k3x s ILE 56 N 9.95 4.78 0.43 -1.63 1.01 -0.51 -4.97 121.20 130.26 2k3x s ILE 56 Ca 0.99 2.06 -0.24 0.00 0.00 0.00 0.00 60.65 63.46 2k3x s ILE 56 Cb -0.26 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 2k3x s ILE 56 CO 0.31 0.20 1.14 -0.54 0.00 0.00 0.00 174.94 176.05 2k3x s LYS 57 N 0.78 3.94 0.10 2.79 -0.14 -1.26 -4.07 119.74 121.87 2k3x s LYS 57 Ca 0.51 1.74 -0.34 0.00 -1.36 0.00 0.00 55.97 56.52 2k3x s LYS 57 Cb -0.22 -2.52 -0.13 0.00 -1.68 0.00 0.00 37.83 33.28 2k3x s LYS 57 CO 0.28 -0.39 1.68 -2.30 -0.76 0.00 0.00 175.35 173.87 2k3x n PRO 58 N -0.22 2.25 -3.89 -1.68 -0.02 -1.24 -4.83 135.00 125.37 2k3x n PRO 58 Ca 0.06 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.25 2k3x n PRO 58 Cb 0.48 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 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 1.85 0.27 -0.31 -0.52 -0.21 -1.26 -4.98 119.66 114.50 2k3x s GLN 59 Ca 0.82 -0.26 -0.36 0.00 0.02 0.00 0.00 55.36 55.58 2k3x s GLN 59 Cb -0.65 0.11 -0.12 0.00 1.00 0.00 0.00 33.01 33.34 2k3x s GLN 59 CO 0.41 -0.05 2.06 1.63 -2.12 0.00 0.00 175.29 177.21 2k3x n LYS 60 N 2.13 1.20 -1.14 2.91 4.76 -1.26 -4.38 118.16 122.38 2k3x n LYS 60 Ca -0.19 0.37 -0.34 0.00 -2.87 0.00 0.00 58.31 55.28 2k3x n LYS 60 Cb 0.57 -2.38 0.12 0.00 -1.84 0.00 0.00 35.03 31.50 2k3x n LYS 60 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k3x n LEU 61 N 8.46 3.99 0.00 -0.35 0.00 -1.26 -4.90 117.00 122.94 2k3x n LEU 61 Ca 0.36 0.59 0.00 0.00 0.00 0.00 0.00 56.01 56.96 2k3x n LEU 61 Cb 0.21 -1.47 0.00 0.00 0.00 0.00 0.00 43.42 42.16 2k3x n LEU 61 CO 0.77 -1.87 0.00 0.61 0.00 0.00 0.00 177.39 176.90 2k3x n GLY 62 N 0.71 0.00 2.42 -3.96 0.00 -1.26 -5.05 105.19 98.05 2k3x n GLY 62 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 2.34 -3.28 1.61 0.28 -1.26 -4.74 120.64 115.58 2k3x n GLU 63 Ca 0.00 -2.22 -0.15 0.00 -0.16 0.00 0.00 57.16 54.63 2k3x n GLU 63 Cb 0.00 -2.10 0.08 0.00 1.43 0.00 0.00 31.44 30.85 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 0.92 -4.70 0.00 -1.84 2.03 -1.26 -4.94 116.55 106.76 2k3x n ASP 64 Ca 0.47 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2k3x n ASP 64 Cb 0.57 -5.07 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3x n GLU 65 N -3.54 0.00 -1.59 -0.67 0.28 -1.26 -5.12 120.64 108.74 2k3x n GLU 65 Ca -0.16 -0.07 -0.65 0.00 -0.16 0.00 0.00 57.16 56.13 2k3x n GLU 65 Cb 0.64 -0.49 -0.10 0.00 1.43 0.00 0.00 31.44 32.91 2k3x n GLU 65 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k3x n SER 66 N 0.00 1.07 -4.74 -1.84 7.64 -1.26 -4.80 113.62 109.69 2k3x n SER 66 Ca 0.00 1.04 -0.42 0.00 1.01 0.00 0.00 58.87 60.50 2k3x n SER 66 Cb 0.29 -0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 2k3x n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k3x s ILE 67 N 3.72 2.18 0.66 0.44 -0.00 -1.26 -5.02 121.20 121.93 2k3x s ILE 67 Ca 1.07 0.15 -0.12 0.00 -0.00 0.00 0.00 60.65 61.75 2k3x s ILE 67 Cb -1.47 -3.09 -0.01 0.00 -0.00 0.00 0.00 42.46 37.88 2k3x s ILE 67 CO 0.76 0.02 1.05 -2.16 -0.00 0.00 0.00 174.94 174.62 2k3x s PRO 68 N -0.08 3.11 0.65 0.37 0.04 -1.26 -4.85 135.00 132.98 2k3x s PRO 68 Ca 0.65 0.99 0.41 0.00 0.04 0.00 0.00 61.00 63.08 2k3x s PRO 68 Cb -0.47 -2.01 2.26 0.00 0.04 0.00 0.00 34.50 34.32 2k3x s PRO 68 CO 0.43 -0.97 2.32 0.93 0.04 0.00 0.00 177.00 179.76 2k3x h GLU 69 N -0.40 0.00 -0.86 4.56 5.08 -1.99 -0.72 114.58 120.26 2k3x h GLU 69 Ca -0.44 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.08 2k3x h GLU 69 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2k3x h GLU 69 CO 0.57 0.00 0.56 1.49 -1.00 0.00 0.00 179.01 180.64 2k3x h GLU 70 N 0.00 0.49 0.00 2.33 4.81 -2.03 -3.29 114.58 116.89 2k3x h GLU 70 Ca 0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2k3x h GLU 70 Cb 0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2k3x h GLU 70 CO -0.00 0.32 -1.36 0.44 -0.73 0.00 0.00 179.01 177.68 2k3x n ILE 71 N -4.52 0.35 -0.34 2.32 -5.35 -0.36 -4.74 119.36 106.71 2k3x n ILE 71 Ca 0.17 -0.22 0.25 0.00 -0.27 0.00 0.00 62.75 62.68 2k3x n ILE 71 Cb 0.58 -0.83 0.49 0.00 -1.74 0.00 0.00 39.64 38.13 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 0.31 0.00 7.28 5.03 -1.40 -1.11 117.51 127.62 2k3x h ILE 72 Ca -0.14 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 2k3x h ILE 72 Cb 1.30 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 2k3x h ILE 72 CO 0.01 0.06 0.00 -0.46 -0.68 0.00 0.00 178.15 177.08 2k3x n ASN 73 N -4.98 0.00 -4.17 1.72 0.23 -1.26 -4.08 115.26 102.72 2k3x n ASN 73 Ca 0.32 0.04 -0.22 0.00 -0.53 0.00 0.00 54.58 54.19 2k3x n ASN 73 Cb 1.00 -0.25 -0.09 0.00 -2.08 0.00 0.00 39.78 38.36 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 -2.49 2.26 0.19 4.83 0.00 -0.42 -4.94 107.32 106.75 2k3x s GLY 74 Ca 0.12 -1.63 -0.33 0.00 0.00 0.00 0.00 44.72 42.89 2k3x s GLY 74 CO 0.18 -1.74 1.40 0.28 0.00 0.00 0.00 173.10 173.22 2k3x n LYS 75 N -0.73 1.80 -4.40 2.90 4.76 -1.26 -4.44 118.16 116.79 2k3x n LYS 75 Ca -0.03 0.64 -0.28 0.00 -2.87 0.00 0.00 58.31 55.78 2k3x n LYS 75 Cb 0.65 -2.30 -0.12 0.00 -1.84 0.00 0.00 35.03 31.42 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 -1.40 1.43 -0.13 0.00 0.08 -0.07 -0.52 117.98 117.37 2k3x s PHE 77 Ca 0.17 -1.13 -0.29 0.00 0.12 0.00 0.00 56.93 55.80 2k3x s PHE 77 Cb -0.09 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 2k3x s PHE 77 CO 0.08 -0.66 1.75 0.12 -0.10 0.00 0.00 175.22 176.41 2k3x s PHE 78 N 1.72 1.83 0.05 0.36 5.36 -0.41 -1.65 117.98 125.24 2k3x s PHE 78 Ca -0.02 0.28 0.07 0.00 -0.96 0.00 0.00 56.93 56.30 2k3x s PHE 78 Cb -0.18 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.48 2k3x s PHE 78 CO -0.08 -3.76 -0.20 0.96 -1.46 0.00 0.00 175.22 170.68 2k3x s ILE 79 N 5.08 1.59 -0.43 3.12 -4.36 0.07 -0.36 121.20 125.92 2k3x s ILE 79 Ca 0.78 -1.20 -0.28 0.00 -0.26 0.00 0.00 60.65 59.69 2k3x s ILE 79 Cb -0.31 -1.39 0.02 0.00 1.25 0.00 0.00 42.46 42.03 2k3x s ILE 79 CO 0.32 0.15 1.07 -2.28 0.24 0.00 0.00 174.94 174.44 2k3x s HIS 80 N -0.84 2.94 -0.22 1.37 5.65 -0.56 -2.17 115.29 121.46 2k3x s HIS 80 Ca 0.06 0.79 -0.29 0.00 0.25 0.00 0.00 55.06 55.87 2k3x s HIS 80 Cb -0.09 -4.11 -0.01 0.00 -1.18 0.00 0.00 32.58 27.19 2k3x s HIS 80 CO 0.02 -1.08 1.37 0.71 -0.65 0.00 0.00 174.74 175.11 2k3x s TYR 81 N 4.07 2.59 0.22 3.88 2.02 -0.82 -1.55 117.35 127.75 2k3x s TYR 81 Ca 0.45 0.81 0.04 0.00 -0.37 0.00 0.00 57.07 58.00 2k3x s TYR 81 Cb -0.09 -3.77 -0.03 0.00 -0.40 0.00 0.00 41.96 37.66 2k3x s TYR 81 CO 0.26 -2.09 0.32 -0.65 -1.57 0.00 0.00 175.55 171.82 2k3x s GLN 82 N 4.00 3.39 0.00 -0.62 -0.21 -0.04 -4.03 119.66 122.14 2k3x s GLN 82 Ca 0.60 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 55.23 2k3x s GLN 82 Cb -0.21 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 30.92 2k3x s GLN 82 CO 0.21 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.25 2k3x n GLY 83 N -1.14 0.72 3.31 3.09 0.00 -1.26 -3.83 105.19 106.08 2k3x n GLY 83 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.12 1.53 0.36 1.61 0.52 -1.26 -5.11 118.94 113.48 2k3x s TRP 84 Ca 0.00 -1.33 -0.28 0.00 0.02 0.00 0.00 56.10 54.51 2k3x s TRP 84 Cb 0.00 -0.83 -0.11 0.00 -1.15 0.00 0.00 33.47 31.38 2k3x s TRP 84 CO 0.00 -0.49 1.49 1.63 0.02 0.00 0.00 176.95 179.60 2k3x n LYS 85 N -0.51 2.62 0.14 4.98 4.76 -1.26 -4.88 118.16 124.01 2k3x n LYS 85 Ca 0.01 0.92 0.09 0.00 -2.87 0.00 0.00 58.31 56.46 2k3x n LYS 85 Cb 0.65 -2.65 0.49 0.00 -1.84 0.00 0.00 35.03 31.69 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 0.82 0.47 0.23 4.39 7.64 -1.26 -0.70 113.62 125.21 2k3x n SER 86 Ca 0.03 0.71 0.13 0.00 1.01 0.00 0.00 58.87 60.75 2k3x n SER 86 Cb 0.38 -0.76 0.77 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.96 -3.31 113.55 114.01 2k3x h SER 87 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2k3x h SER 87 Cb 0.07 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 2k3x h SER 87 CO 0.00 0.00 2.27 0.79 -1.14 0.00 0.00 176.83 178.75 2k3x n TRP 88 N -4.16 4.42 -3.95 3.45 7.02 0.12 -4.82 117.44 119.53 2k3x n TRP 88 Ca -0.01 -2.79 -0.31 0.00 -1.02 0.00 0.00 57.50 53.38 2k3x n TRP 88 Cb 0.20 -2.62 -0.15 0.00 -2.42 0.00 0.00 31.31 26.32 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 4.21 4.53 0.03 -0.99 1.01 -1.25 -1.94 116.67 122.27 2k3x s ASP 89 Ca 0.54 -2.24 -0.04 0.00 0.71 0.00 0.00 52.55 51.52 2k3x s ASP 89 Cb 0.05 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.48 2k3x s ASP 89 CO 0.06 -0.36 0.05 -0.70 0.21 0.00 0.00 175.17 174.44 2k3x s GLU 90 N 0.79 0.48 0.51 8.23 2.56 -0.92 -4.92 118.70 125.43 2k3x s GLU 90 Ca 0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 54.97 54.31 2k3x s GLU 90 Cb -0.20 0.19 -0.05 0.00 2.00 0.00 0.00 34.13 36.07 2k3x s GLU 90 CO -0.09 -0.11 0.88 -1.58 -0.56 0.00 0.00 175.26 173.81 2k3x s TRP 91 N -2.14 3.55 0.04 5.30 0.52 -1.26 -0.75 118.94 124.21 2k3x s TRP 91 Ca -0.09 1.09 -0.01 0.00 0.02 0.00 0.00 56.10 57.11 2k3x s TRP 91 Cb -0.04 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 2k3x s TRP 91 CO -0.03 -0.39 -0.03 0.14 0.02 0.00 0.00 176.95 176.67 2k3x s VAL 92 N -2.80 0.18 0.52 4.03 -7.23 -0.66 -4.93 120.40 109.52 2k3x s VAL 92 Ca 0.52 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 2k3x s VAL 92 Cb -0.10 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.81 2k3x s VAL 92 CO 0.44 -0.81 0.73 -0.83 -0.31 0.00 0.00 175.10 174.32 2k3x s GLY 93 N -2.38 1.85 0.63 2.32 0.00 -1.26 -0.89 107.32 107.58 2k3x s GLY 93 Ca -0.01 -1.39 0.40 0.00 0.00 0.00 0.00 44.72 43.72 2k3x s GLY 93 CO -0.07 -1.13 2.29 -1.82 0.00 0.00 0.00 173.10 172.37 2k3x h TYR 94 N 0.18 0.00 -0.01 1.90 5.03 -1.76 0.05 116.97 122.36 2k3x h TYR 94 Ca -0.42 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.90 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 0.38 0.01 0.16 0.22 -1.32 0.00 0.00 178.16 177.60 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.24 116.42 112.72 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 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2k3x h ASP 95 CO 0.00 0.00 -0.94 0.54 -2.88 0.00 0.00 179.24 175.96 2k3x n ARG 96 N -3.05 1.44 -4.11 0.28 1.74 -0.12 -4.96 116.66 107.88 2k3x n ARG 96 Ca -0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 2k3x n ARG 96 Cb 0.22 -0.97 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 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 -1.94 4.40 0.06 0.55 2.07 -0.49 -0.94 121.20 124.91 2k3x s ILE 97 Ca 0.00 -1.29 -0.04 0.00 -1.41 0.00 0.00 60.65 57.91 2k3x s ILE 97 Cb 0.00 -3.32 -0.02 0.00 0.13 0.00 0.00 42.46 39.25 2k3x s ILE 97 CO 0.00 -0.24 0.05 -0.13 -1.91 0.00 0.00 174.94 172.71 2k3x s ARG 98 N -3.50 0.70 0.84 3.50 0.52 -0.17 -4.55 118.95 116.29 2k3x s ARG 98 Ca 0.32 -1.11 -0.12 0.00 -0.52 0.00 0.00 55.73 54.30 2k3x s ARG 98 Cb -0.09 0.26 0.10 0.00 0.52 0.00 0.00 34.95 35.74 2k3x s ARG 98 CO 0.24 -0.17 1.13 0.00 0.02 0.00 0.00 175.30 176.52 2k3x s ALA 99 N -3.86 2.21 -0.26 2.13 0.00 -1.26 -0.71 121.76 120.01 2k3x s ALA 99 Ca 0.06 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 2k3x s ALA 99 Cb 0.07 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 2k3x s ALA 99 CO -0.10 -1.89 1.53 -0.47 0.00 0.00 0.00 175.76 174.82 2k3x s TYR 100 N -3.33 2.27 0.21 0.00 5.04 0.70 -4.63 117.35 117.61 2k3x s TYR 100 Ca 0.62 0.65 -0.23 0.00 -2.44 0.00 0.00 57.07 55.67 2k3x s TYR 100 Cb -0.13 -3.99 0.05 0.00 0.35 0.00 0.00 41.96 38.23 2k3x s TYR 100 CO 0.52 -2.54 0.88 0.54 -1.34 0.00 0.00 175.55 173.62 2k3x s ASN 101 N 3.91 -0.18 0.40 4.32 2.20 -1.26 -4.52 114.94 119.81 2k3x s ASN 101 Ca 0.67 -0.53 0.07 0.00 -0.94 0.00 0.00 52.86 52.13 2k3x s ASN 101 Cb -0.22 0.58 0.83 0.00 -2.00 0.00 0.00 41.25 40.45 2k3x s ASN 101 CO 0.28 -1.09 2.03 -0.33 -2.94 0.00 0.00 177.10 175.05 2k3x h GLU 102 N 2.00 0.60 -0.13 3.55 4.39 -1.96 -0.05 114.58 122.98 2k3x h GLU 102 Ca -0.23 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 2k3x h GLU 102 Cb 1.24 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2k3x h GLU 102 CO 0.26 0.39 -0.29 1.49 -1.16 0.00 0.00 179.01 179.70 2k3x h GLU 103 N 0.61 0.24 0.00 2.33 4.81 -1.97 0.78 114.58 121.39 2k3x h GLU 103 Ca 0.20 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2k3x h GLU 103 Cb 0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2k3x h GLU 103 CO -0.05 0.51 -0.65 -0.91 -0.73 0.00 0.00 179.01 177.19 2k3x h ASN 104 N 0.21 0.00 1.11 1.04 2.35 -1.37 -1.43 115.58 117.49 2k3x h ASN 104 Ca 0.03 -0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.51 2k3x h ASN 104 Cb 0.63 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 2k3x h ASN 104 CO 0.05 0.05 -0.92 0.40 -1.65 0.00 0.00 177.43 175.36 2k3x h ILE 105 N 0.00 1.22 -0.26 2.81 5.03 -0.99 0.29 117.51 125.60 2k3x h ILE 105 Ca 0.00 -2.79 -0.15 0.00 -0.12 0.00 0.00 64.86 61.80 2k3x h ILE 105 Cb 0.87 2.58 -0.00 0.00 -3.03 0.00 0.00 36.82 37.24 2k3x h ILE 105 CO 0.00 0.69 -0.41 0.00 -0.68 0.00 0.00 178.15 177.76 2k3x h ALA 106 N 1.22 0.41 -0.64 1.87 0.00 -0.67 0.90 119.26 122.35 2k3x h ALA 106 Ca -0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2k3x h ALA 106 Cb 1.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2k3x h ALA 106 CO 0.09 0.51 0.31 0.00 0.00 0.00 0.00 179.25 180.16 2k3x h MET 107 N 0.48 0.92 -0.02 0.00 -0.00 -1.30 -1.68 114.93 113.34 2k3x h MET 107 Ca 0.02 -0.14 0.03 0.00 -0.00 0.00 0.00 59.70 59.62 2k3x h MET 107 Cb 1.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 31.60 32.40 2k3x h MET 107 CO 0.09 0.74 -0.20 -0.22 -0.00 0.00 0.00 176.91 177.32 2k3x h LYS 108 N 0.88 -0.30 -0.17 -0.10 1.63 -0.72 -1.00 116.57 116.80 2k3x h LYS 108 Ca 0.22 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.07 2k3x h LYS 108 Cb 0.12 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.75 2k3x h LYS 108 CO -0.03 -0.20 -0.55 0.87 -3.45 0.00 0.00 179.45 176.10 2k3x h LYS 109 N -0.31 -0.54 0.00 1.90 6.56 -0.54 0.97 116.57 124.61 2k3x h LYS 109 Ca 0.06 0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.59 2k3x h LYS 109 Cb 0.39 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2k3x h LYS 109 CO -0.19 -0.36 -0.47 0.07 -2.06 0.00 0.00 179.45 176.44 2k3x h ARG 110 N -0.56 0.00 0.09 3.15 -0.00 -1.17 -2.73 114.38 113.15 2k3x h ARG 110 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2k3x h ARG 110 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.64 2k3x h ARG 110 CO -0.46 0.47 -0.04 -0.07 -0.00 0.00 0.00 179.97 179.87 2k3x h LEU 111 N 0.00 -0.10 -2.00 0.08 3.38 -0.98 -3.16 115.31 112.54 2k3x h LEU 111 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2k3x h LEU 111 Cb 1.15 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k3x h LEU 111 CO 0.06 0.15 0.02 0.00 0.09 0.00 0.00 178.44 178.76 2k3x h ALA 112 N 0.55 1.02 0.00 1.53 0.00 -0.50 0.11 119.26 121.97 2k3x h ALA 112 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k3x h ALA 112 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k3x h ALA 112 CO 0.02 -0.02 -0.13 -2.95 0.00 0.00 0.00 179.25 176.17 2k3x h ASN 113 N 0.00 0.00 0.48 0.00 7.08 -1.48 -2.94 115.58 118.72 2k3x h ASN 113 Ca 0.00 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.96 2k3x h ASN 113 Cb 0.05 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.29 2k3x h ASN 113 CO 0.00 0.13 -1.14 0.25 -2.08 0.00 0.00 177.43 174.60 2k3x h LEU 114 N 0.00 0.51 0.00 6.14 7.12 -0.94 -3.53 115.31 124.61 2k3x h LEU 114 Ca -0.00 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2k3x h LEU 114 Cb 0.27 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 2k3x h LEU 114 CO 0.02 1.33 0.00 1.21 -0.13 0.00 0.00 178.44 180.87