#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klj s VAL 17 N 0.00 5.27 0.00 1.39 1.01 0.14 -4.34 120.40 123.87 1klj s VAL 17 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1klj s VAL 17 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1klj s VAL 17 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1klj n GLY 18 N 5.07 0.97 0.00 4.51 0.00 -1.23 -0.74 105.19 113.76 1klj n GLY 18 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1klj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1klj n GLY 19 N -1.54 4.98 3.29 -0.02 0.00 -1.26 -4.87 105.19 105.77 1klj n GLY 19 Ca 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 1klj n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1klj s LYS 20 N 0.94 1.28 0.26 1.61 1.02 -0.83 -4.96 119.74 119.06 1klj s LYS 20 Ca 0.00 -1.66 -0.30 0.00 0.02 0.00 0.00 55.97 54.04 1klj s LYS 20 Cb 0.00 -0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 36.88 1klj s LYS 20 CO 0.00 -0.19 1.29 0.08 -0.92 0.00 0.00 175.35 175.60 1klj s VAL 21 N -3.65 3.04 -0.22 3.17 1.01 -1.26 -0.97 120.40 121.52 1klj s VAL 21 Ca 0.31 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1klj s VAL 21 Cb 0.07 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1klj s VAL 21 CO 0.09 0.18 1.05 0.00 0.00 0.00 0.00 175.10 176.43 1klj n PRO 23 N 6.29 2.02 -1.64 0.00 -0.02 -1.26 -4.78 135.00 135.60 1klj n PRO 23 Ca 0.12 0.71 -0.55 0.00 -2.02 0.00 0.00 63.50 61.76 1klj n PRO 23 Cb 0.46 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1klj n PRO 23 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1klj n LYS 24 N 1.12 1.03 0.00 -0.52 4.81 -1.26 -1.75 118.16 121.59 1klj n LYS 24 Ca 0.08 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1klj n LYS 24 Cb 0.34 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1klj n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1klj n GLY 25 N 3.19 3.42 0.65 3.14 0.00 -1.26 -4.91 105.19 109.42 1klj n GLY 25 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1klj n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1klj n GLU 26 N -1.85 1.85 -2.89 1.61 1.02 -0.72 -3.76 120.64 115.90 1klj n GLU 26 Ca 0.00 -1.28 -0.14 0.00 -0.02 0.00 0.00 57.16 55.72 1klj n GLU 26 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1klj n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1klj h PRO 28 N 2.98 0.00 0.00 0.00 0.13 -1.77 -2.37 132.00 130.97 1klj h PRO 28 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1klj h PRO 28 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1klj h PRO 28 CO 0.53 0.00 -0.71 -2.67 -0.23 0.00 0.00 178.00 174.92 1klj n TRP 29 N -2.70 0.09 -1.78 1.56 2.14 -0.96 -2.47 117.44 113.33 1klj n TRP 29 Ca -0.00 0.03 -0.41 0.00 2.07 0.00 0.00 57.50 59.19 1klj n TRP 29 Cb 0.17 -0.27 0.01 0.00 -0.81 0.00 0.00 31.31 30.41 1klj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1klj s GLN 30 N -3.05 3.92 0.20 -2.67 2.00 -0.90 -1.73 119.66 117.43 1klj s GLN 30 Ca 0.09 2.54 0.11 0.00 -2.00 0.00 0.00 55.36 56.10 1klj s GLN 30 Cb 0.16 -2.84 -0.04 0.00 0.80 0.00 0.00 33.01 31.09 1klj s GLN 30 CO 0.75 -0.68 -0.21 0.08 -0.50 0.00 0.00 175.29 174.74 1klj s VAL 31 N -1.15 2.52 -0.20 1.34 1.01 0.57 -4.48 120.40 120.02 1klj s VAL 31 Ca 0.56 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1klj s VAL 31 Cb -0.46 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1klj s VAL 31 CO 0.61 -0.14 -0.15 -0.22 0.00 0.00 0.00 175.10 175.20 1klj s LEU 32 N -2.77 2.49 -0.20 3.92 2.96 -0.91 -1.97 118.68 122.20 1klj s LEU 32 Ca 0.22 -0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 1klj s LEU 32 Cb -0.08 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1klj s LEU 32 CO 0.11 -0.03 0.19 -0.76 -1.32 0.00 0.00 176.35 174.54 1klj s LEU 33 N 1.31 4.20 0.01 -0.68 1.43 0.59 -1.10 118.68 124.44 1klj s LEU 33 Ca 0.03 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1klj s LEU 33 Cb -0.14 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1klj s LEU 33 CO -0.10 0.12 -0.25 -0.76 0.23 0.00 0.00 176.35 175.59 1klj s LEU 34 N 0.56 2.09 -0.08 1.79 1.43 -0.46 0.11 118.68 124.13 1klj s LEU 34 Ca 0.11 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1klj s LEU 34 Cb -0.12 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1klj s LEU 34 CO 0.01 0.29 -0.23 -0.69 0.23 0.00 0.00 176.35 175.96 1klj s VAL 35 N -0.67 1.92 -0.67 -1.59 1.01 0.69 -1.84 120.40 119.25 1klj s VAL 35 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1klj s VAL 35 Cb -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1klj s VAL 35 CO 0.00 0.53 0.00 0.59 0.00 0.00 0.00 175.10 176.22 1klj n ASN 37 N 3.40 -1.95 0.00 3.32 4.13 -1.15 0.87 115.26 123.88 1klj n ASN 37 Ca -0.19 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1klj n ASN 37 Cb 0.53 -1.98 0.00 0.00 -1.54 0.00 0.00 39.78 36.79 1klj n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1klj n GLY 38 N -0.26 0.30 3.86 7.41 0.00 -1.26 -5.06 105.19 110.19 1klj n GLY 38 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1klj n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klj s ALA 39 N -2.09 3.73 0.22 4.61 0.00 0.25 -5.01 121.76 123.47 1klj s ALA 39 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.27 1klj s ALA 39 Cb 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 23.12 20.73 1klj s ALA 39 CO 0.00 0.56 1.71 -1.14 0.00 0.00 0.00 175.76 176.89 1klj s GLN 40 N -1.79 4.12 0.02 0.00 0.74 -1.26 -0.22 119.66 121.28 1klj s GLN 40 Ca 0.31 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.33 1klj s GLN 40 Cb -0.14 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.90 1klj s GLN 40 CO 0.17 -0.74 0.00 -0.11 -0.55 0.00 0.00 175.29 174.06 1klj n LEU 41 N 3.82 0.22 -3.83 3.68 7.94 0.30 -4.79 117.00 124.34 1klj n LEU 41 Ca 0.15 0.04 -0.06 0.00 -1.11 0.00 0.00 56.01 55.02 1klj n LEU 41 Cb 0.35 -0.06 -0.00 0.00 0.53 0.00 0.00 43.42 44.24 1klj n LEU 41 CO 0.64 -0.19 0.56 0.00 -1.11 0.00 0.00 177.39 177.29 1klj s GLY 43 N -3.00 2.02 0.23 0.00 0.00 -0.77 0.22 107.32 106.02 1klj s GLY 43 Ca 0.13 -1.80 -0.22 0.00 0.00 0.00 0.00 44.72 42.84 1klj s GLY 43 CO 0.07 -1.66 0.90 -0.32 0.00 0.00 0.00 173.10 172.09 1klj s GLY 44 N -4.33 -0.03 -0.04 0.20 0.00 -0.83 -3.84 107.32 98.45 1klj s GLY 44 Ca 0.52 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.06 1klj s GLY 44 CO 0.31 0.41 -0.18 -1.59 0.00 0.00 0.00 173.10 172.05 1klj s THR 45 N -3.03 1.47 -0.27 0.90 2.01 0.15 -0.31 115.64 116.56 1klj s THR 45 Ca 0.14 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 1klj s THR 45 Cb -0.03 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1klj s THR 45 CO 0.06 0.42 0.87 -0.22 -0.69 0.00 0.00 174.62 175.05 1klj s LEU 46 N -0.07 4.07 0.00 4.42 2.96 -0.71 0.56 118.68 129.91 1klj s LEU 46 Ca -0.01 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 54.95 1klj s LEU 46 Cb -0.11 -3.24 0.03 0.00 0.50 0.00 0.00 46.19 43.38 1klj s LEU 46 CO 0.02 -0.60 0.64 2.30 -1.32 0.00 0.00 176.35 177.39 1klj n ILE 47 N 5.40 0.00 -3.84 6.68 -5.35 -0.52 0.35 119.36 122.08 1klj n ILE 47 Ca 0.06 -0.47 -0.02 0.00 -0.27 0.00 0.00 62.75 62.05 1klj n ILE 47 Cb 0.47 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.51 1klj n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1klj s ASN 48 N -0.80 -0.04 0.00 7.28 3.84 -1.19 -4.65 114.94 119.39 1klj s ASN 48 Ca 0.07 -0.52 0.20 0.00 0.21 0.00 0.00 52.86 52.82 1klj s ASN 48 Cb 0.06 0.43 1.03 0.00 -0.55 0.00 0.00 41.25 42.21 1klj s ASN 48 CO 0.12 -0.83 1.60 0.35 -2.79 0.00 0.00 177.10 175.55 1klj n THR 49 N -0.65 0.32 -0.59 -5.21 -2.24 -1.26 -3.32 114.28 101.32 1klj n THR 49 Ca -0.03 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1klj n THR 49 Cb 0.60 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1klj n THR 49 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1klj n ILE 50 N -1.22 0.00 -4.98 2.28 -5.35 -1.26 -1.52 119.36 107.31 1klj n ILE 50 Ca 0.11 -0.12 -0.32 0.00 -0.27 0.00 0.00 62.75 62.15 1klj n ILE 50 Cb 0.13 1.59 -0.15 0.00 -1.74 0.00 0.00 39.64 39.48 1klj n ILE 50 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1klj s TRP 51 N -0.05 2.68 -0.12 4.28 0.52 -1.21 -0.99 118.94 124.05 1klj s TRP 51 Ca 0.00 -0.71 0.02 0.00 0.02 0.00 0.00 56.10 55.43 1klj s TRP 51 Cb 0.00 -1.75 0.02 0.00 -1.15 0.00 0.00 33.47 30.59 1klj s TRP 51 CO 0.00 -0.22 -0.16 0.08 0.02 0.00 0.00 176.95 176.67 1klj s VAL 52 N 0.15 1.57 -0.04 4.03 1.01 -0.29 -1.44 120.40 125.39 1klj s VAL 52 Ca -0.10 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1klj s VAL 52 Cb -0.16 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1klj s VAL 52 CO 0.06 0.46 0.45 -0.69 0.00 0.00 0.00 175.10 175.37 1klj s VAL 53 N 1.05 5.06 0.00 2.92 1.01 0.19 0.49 120.40 131.13 1klj s VAL 53 Ca -0.05 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1klj s VAL 53 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1klj s VAL 53 CO -0.03 0.48 0.00 -0.24 0.00 0.00 0.00 175.10 175.30 1klj n SER 54 N 2.56 0.00 -4.13 3.32 2.88 0.75 0.30 113.62 119.31 1klj n SER 54 Ca -0.11 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.17 1klj n SER 54 Cb 0.52 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.82 1klj n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1klj s ALA 55 N -2.00 1.56 0.19 -1.46 0.00 -1.26 -2.35 121.76 116.44 1klj s ALA 55 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1klj s ALA 55 Cb 0.00 -0.55 0.18 0.00 0.00 0.00 0.00 23.12 22.75 1klj s ALA 55 CO 0.00 0.25 1.80 0.00 0.00 0.00 0.00 175.76 177.81 1klj h ALA 56 N 6.41 0.75 0.00 0.00 0.00 -1.71 -2.00 119.26 122.71 1klj h ALA 56 Ca -0.31 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1klj h ALA 56 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1klj h ALA 56 CO 0.48 -0.03 0.07 1.12 0.00 0.00 0.00 179.25 180.88 1klj h HIS 57 N 0.58 0.00 0.00 0.00 2.07 -1.90 0.31 115.15 116.22 1klj h HIS 57 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 1klj h HIS 57 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 1klj h HIS 57 CO -0.09 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.77 1klj n PHE 59 N -2.42 0.11 -0.33 0.00 3.72 0.10 -4.71 117.46 113.94 1klj n PHE 59 Ca -0.01 -0.14 0.10 0.00 -0.05 0.00 0.00 57.45 57.35 1klj n PHE 59 Cb 0.10 -0.01 0.27 0.00 -0.94 0.00 0.00 39.48 38.90 1klj n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1klj h ASP 60 N 1.79 0.67 -0.15 4.37 5.19 -1.58 -2.34 116.42 124.37 1klj h ASP 60 Ca 0.00 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1klj h ASP 60 Cb 0.48 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1klj h ASP 60 CO 0.00 0.26 -0.06 0.29 -3.12 0.00 0.00 179.24 176.61 1klj n LYS 60 N -4.81 2.01 -1.63 3.56 5.02 -1.26 -5.03 118.16 116.02 1klj n LYS 60 Ca 0.20 -2.84 -0.51 0.00 -2.02 0.00 0.00 58.31 53.14 1klj n LYS 60 Cb 0.50 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 1klj n LYS 60 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1klj n ILE 60 N -1.02 0.05 0.00 -0.18 2.08 -0.88 -4.94 119.36 114.47 1klj n ILE 60 Ca 0.21 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1klj n ILE 60 Cb 0.80 -1.10 0.00 0.00 -0.75 0.00 0.00 39.64 38.59 1klj n ILE 60 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1klj n LYS 60 N 3.16 0.00 -3.54 0.38 4.01 -1.26 -4.78 118.16 116.13 1klj n LYS 60 Ca 0.19 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.57 1klj n LYS 60 Cb 0.22 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.63 1klj n LYS 60 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1klj s ASN 60 N -1.96 5.88 0.10 4.39 2.20 -1.26 -4.93 114.94 119.36 1klj s ASN 60 Ca 0.00 -1.00 0.07 0.00 -0.94 0.00 0.00 52.86 50.98 1klj s ASN 60 Cb 0.00 -2.08 0.37 0.00 -2.00 0.00 0.00 41.25 37.54 1klj s ASN 60 CO 0.00 -0.43 1.21 0.79 -2.94 0.00 0.00 177.10 175.73 1klj n TRP 61 N 5.06 0.23 -0.72 1.54 7.02 -1.26 -0.53 117.44 128.78 1klj n TRP 61 Ca -0.11 0.12 0.05 0.00 -1.02 0.00 0.00 57.50 56.54 1klj n TRP 61 Cb 0.46 -0.69 0.36 0.00 -2.42 0.00 0.00 31.31 29.02 1klj n TRP 61 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1klj n ARG 62 N -1.74 4.42 -0.03 -0.99 1.85 -1.26 -3.87 116.66 115.05 1klj n ARG 62 Ca -0.00 -2.83 0.00 0.00 -1.00 0.00 0.00 57.85 54.02 1klj n ARG 62 Cb 0.01 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 1klj n ARG 62 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1klj n ASN 63 N 0.49 0.75 -4.68 2.89 5.03 0.31 -5.07 115.26 114.99 1klj n ASN 63 Ca 0.26 -1.45 -0.42 0.00 0.87 0.00 0.00 54.58 53.84 1klj n ASN 63 Cb 1.13 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 39.84 1klj n ASN 63 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1klj s LEU 64 N -0.42 4.28 -0.00 3.41 1.43 -1.25 -2.91 118.68 123.21 1klj s LEU 64 Ca 0.01 1.96 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 1klj s LEU 64 Cb 0.01 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 1klj s LEU 64 CO 0.00 -0.72 -0.14 -0.63 0.23 0.00 0.00 176.35 175.09 1klj s ILE 65 N 2.80 1.07 -0.10 -0.59 1.01 -0.77 -0.80 121.20 123.83 1klj s ILE 65 Ca 0.61 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1klj s ILE 65 Cb -0.28 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1klj s ILE 65 CO 0.23 0.26 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 1klj s ALA 66 N -0.39 2.97 -0.16 9.38 0.00 0.04 -1.35 121.76 132.24 1klj s ALA 66 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1klj s ALA 66 Cb -0.06 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1klj s ALA 66 CO -0.00 0.44 -0.15 0.08 0.00 0.00 0.00 175.76 176.13 1klj s VAL 67 N -0.37 1.67 0.36 0.00 1.01 -0.26 -0.92 120.40 121.88 1klj s VAL 67 Ca 0.06 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1klj s VAL 67 Cb -0.12 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1klj s VAL 67 CO 0.02 0.44 0.51 -0.76 0.00 0.00 0.00 175.10 175.31 1klj s LEU 68 N 1.44 3.92 -0.35 3.92 2.01 0.11 -2.14 118.68 127.58 1klj s LEU 68 Ca 0.04 -0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.09 1klj s LEU 68 Cb -0.13 -2.84 0.00 0.00 0.01 0.00 0.00 46.19 43.23 1klj s LEU 68 CO -0.11 -0.48 0.00 0.61 1.01 0.00 0.00 176.35 177.38 1klj n GLY 69 N -1.72 0.49 3.81 -3.19 0.00 -1.26 0.02 105.19 103.34 1klj n GLY 69 Ca -0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1klj n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1klj s GLU 70 N -1.71 4.33 0.04 1.61 2.56 -1.26 -3.86 118.70 120.41 1klj s GLU 70 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 54.97 56.05 1klj s GLU 70 Cb 0.00 -2.58 0.00 0.00 2.00 0.00 0.00 34.13 33.55 1klj s GLU 70 CO 0.00 0.20 0.00 1.58 -0.56 0.00 0.00 175.26 176.48 1klj n HIS 71 N 0.11 -0.36 -3.70 5.30 -0.00 -1.26 -4.92 115.22 110.40 1klj n HIS 71 Ca 0.03 0.06 -0.37 0.00 -0.00 0.00 0.00 57.72 57.44 1klj n HIS 71 Cb 0.52 0.44 -0.12 0.00 -0.00 0.00 0.00 29.99 30.83 1klj n HIS 71 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1klj s ASP 72 N -4.30 5.43 0.00 0.26 -1.08 -1.26 -0.54 116.67 115.18 1klj s ASP 72 Ca 0.00 -0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.11 1klj s ASP 72 Cb 0.00 -1.99 0.99 0.00 -1.46 0.00 0.00 42.92 40.46 1klj s ASP 72 CO 0.00 -0.04 1.70 0.18 0.52 0.00 0.00 175.17 177.53 1klj n LEU 73 N 4.97 0.00 -0.89 -1.34 4.77 0.34 -3.32 117.00 121.53 1klj n LEU 73 Ca -0.15 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1klj n LEU 73 Cb 0.52 -0.42 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1klj n LEU 73 CO 0.32 -0.11 0.61 -1.54 -1.33 0.00 0.00 177.39 175.33 1klj n SER 74 N -1.42 2.92 -3.83 -1.43 3.41 -1.26 -4.96 113.62 107.04 1klj n SER 74 Ca 0.07 -1.87 -0.12 0.00 -0.26 0.00 0.00 58.87 56.68 1klj n SER 74 Cb 0.22 -0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 63.94 1klj n SER 74 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1klj s GLU 75 N -1.49 0.10 -0.24 4.33 2.12 -1.21 -5.14 118.70 117.17 1klj s GLU 75 Ca 0.28 0.14 -0.12 0.00 0.36 0.00 0.00 54.97 55.62 1klj s GLU 75 Cb 0.18 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.56 1klj s GLU 75 CO 0.26 -0.02 0.24 -1.58 -0.54 0.00 0.00 175.26 173.61 1klj s HIS 76 N 0.12 3.31 -1.10 5.30 5.65 -1.26 -4.80 115.29 122.52 1klj s HIS 76 Ca -0.01 0.32 0.09 0.00 0.25 0.00 0.00 55.06 55.72 1klj s HIS 76 Cb -0.01 -2.37 0.10 0.00 -1.18 0.00 0.00 32.58 29.12 1klj s HIS 76 CO -0.00 0.00 0.85 -0.40 -0.65 0.00 0.00 174.74 174.54 1klj n ASP 77 N 4.49 1.90 0.00 9.88 5.68 -1.26 -4.99 116.55 132.25 1klj n ASP 77 Ca -0.13 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1klj n ASP 77 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1klj n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1klj n GLY 78 N 0.49 0.74 0.10 6.12 0.00 -1.26 -4.86 105.19 106.52 1klj n GLY 78 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1klj n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1klj n ASP 79 N 0.00 0.83 -4.73 1.61 10.43 -1.26 -4.91 116.55 118.51 1klj n ASP 79 Ca 0.00 0.34 -0.37 0.00 2.57 0.00 0.00 54.79 57.33 1klj n ASP 79 Cb 0.00 0.37 0.07 0.00 1.84 0.00 0.00 41.12 43.40 1klj n ASP 79 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1klj s GLU 80 N -3.17 2.48 -0.04 -1.24 8.01 -1.25 -4.46 118.70 119.03 1klj s GLU 80 Ca -0.02 2.02 0.01 0.00 0.01 0.00 0.00 54.97 56.99 1klj s GLU 80 Cb 0.09 -1.84 0.02 0.00 -4.31 0.00 0.00 34.13 28.09 1klj s GLU 80 CO 0.80 -1.64 -0.02 -0.65 0.01 0.00 0.00 175.26 173.76 1klj s GLN 81 N -3.45 0.57 -0.13 1.61 -0.21 0.10 -4.95 119.66 113.20 1klj s GLN 81 Ca 0.81 -0.01 -0.01 0.00 0.02 0.00 0.00 55.36 56.18 1klj s GLN 81 Cb -0.36 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.94 1klj s GLN 81 CO 0.40 -0.12 -0.10 -1.12 -2.12 0.00 0.00 175.29 172.24 1klj s SER 82 N 1.04 4.30 0.02 5.90 0.01 -1.26 0.06 113.70 123.77 1klj s SER 82 Ca -0.09 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1klj s SER 82 Cb -0.14 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 1klj s SER 82 CO -0.01 0.19 -0.03 -0.13 0.41 0.00 0.00 173.24 173.67 1klj s ARG 83 N 0.21 0.30 0.12 12.44 1.81 -0.10 -5.00 118.95 128.73 1klj s ARG 83 Ca -0.06 -0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 53.13 1klj s ARG 83 Cb -0.15 0.01 -0.06 0.00 -0.45 0.00 0.00 34.95 34.30 1klj s ARG 83 CO 0.04 -0.02 0.92 1.03 -0.68 0.00 0.00 175.30 176.59 1klj s ARG 84 N -1.22 4.68 -0.13 3.54 0.52 -1.26 -0.78 118.95 124.29 1klj s ARG 84 Ca -0.12 1.37 -0.29 0.00 -0.52 0.00 0.00 55.73 56.17 1klj s ARG 84 Cb -0.08 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 1klj s ARG 84 CO -0.01 0.28 1.18 0.08 0.02 0.00 0.00 175.30 176.85 1klj s VAL 85 N -0.21 4.39 -0.03 3.52 1.01 0.02 0.29 120.40 129.39 1klj s VAL 85 Ca 0.44 1.69 0.12 0.00 0.00 0.00 0.00 61.98 64.24 1klj s VAL 85 Cb -0.23 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 1klj s VAL 85 CO 0.29 -0.09 0.69 0.00 0.00 0.00 0.00 175.10 176.00 1klj h ALA 86 N 7.72 0.76 -2.51 5.51 0.00 -0.37 -3.45 119.26 126.92 1klj h ALA 86 Ca -0.28 -1.44 -0.10 0.00 0.00 0.00 0.00 54.91 53.08 1klj h ALA 86 Cb 1.12 0.46 -0.22 0.00 0.00 0.00 0.00 17.79 19.15 1klj h ALA 86 CO 0.93 1.57 -0.16 -1.14 0.00 0.00 0.00 179.25 180.46 1klj s GLN 87 N -2.60 0.64 -0.17 0.00 0.74 -1.07 -4.50 119.66 112.70 1klj s GLN 87 Ca -0.04 0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.73 1klj s GLN 87 Cb 0.08 0.30 0.02 0.00 1.10 0.00 0.00 33.01 34.52 1klj s GLN 87 CO 0.82 -0.13 -0.16 0.08 -0.55 0.00 0.00 175.29 175.36 1klj s VAL 88 N -0.38 1.79 -0.14 1.34 1.01 0.59 -0.71 120.40 123.91 1klj s VAL 88 Ca -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1klj s VAL 88 Cb -0.03 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1klj s VAL 88 CO 0.03 0.44 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 1klj s ILE 89 N 1.39 3.76 -0.07 2.22 1.01 0.20 -1.88 121.20 127.84 1klj s ILE 89 Ca 0.04 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1klj s ILE 89 Cb -0.13 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1klj s ILE 89 CO -0.11 0.51 -0.15 -0.63 0.00 0.00 0.00 174.94 174.56 1klj s ILE 90 N 0.23 1.35 0.67 2.92 1.01 -0.72 0.01 121.20 126.67 1klj s ILE 90 Ca -0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1klj s ILE 90 Cb -0.14 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1klj s ILE 90 CO 0.03 0.40 0.89 -0.81 0.00 0.00 0.00 174.94 175.45 1klj n PRO 91 N 3.69 0.64 0.03 2.79 -0.04 -1.26 -1.99 135.00 138.86 1klj n PRO 91 Ca -0.22 0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1klj n PRO 91 Cb 0.52 -2.13 0.29 0.00 -0.04 0.00 0.00 33.50 32.14 1klj n PRO 91 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1klj h SER 92 N 0.05 0.44 0.00 3.54 4.64 -0.61 -2.68 113.55 118.93 1klj h SER 92 Ca -0.48 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1klj h SER 92 Cb 1.35 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1klj h SER 92 CO 0.48 0.57 0.00 0.35 -0.87 0.00 0.00 176.83 177.36 1klj n THR 93 N -4.24 0.00 -3.15 2.95 -2.24 -1.26 -4.78 114.28 101.56 1klj n THR 93 Ca 0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 1klj n THR 93 Cb 0.29 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 1klj n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1klj s TYR 94 N -2.00 3.67 -0.35 4.78 5.04 -1.01 -4.79 117.35 122.68 1klj s TYR 94 Ca 0.23 1.24 -0.02 0.00 -2.44 0.00 0.00 57.07 56.07 1klj s TYR 94 Cb 0.10 -2.67 0.08 0.00 0.35 0.00 0.00 41.96 39.82 1klj s TYR 94 CO 0.17 0.29 0.09 0.08 -1.34 0.00 0.00 175.55 174.85 1klj s VAL 95 N 0.01 3.07 0.26 3.14 1.01 -1.26 -5.01 120.40 121.61 1klj s VAL 95 Ca 0.33 -1.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 1klj s VAL 95 Cb -0.18 -2.94 -0.15 0.00 0.00 0.00 0.00 36.38 33.10 1klj s VAL 95 CO 0.18 -0.39 0.71 -0.81 0.00 0.00 0.00 175.10 174.80 1klj n PRO 96 N 4.58 0.60 0.00 2.72 -0.04 -1.26 0.60 135.00 142.20 1klj n PRO 96 Ca -0.07 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1klj n PRO 96 Cb 0.42 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1klj n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1klj n GLY 97 N 1.67 3.20 0.00 0.55 0.00 -1.26 -5.01 105.19 104.34 1klj n GLY 97 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1klj n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1klj n THR 98 N -1.57 0.00 0.00 2.61 -2.24 0.20 -5.09 114.28 108.19 1klj n THR 98 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1klj n THR 98 Cb 0.00 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1klj n THR 98 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1klj n THR 99 N -0.04 0.00 -2.29 4.28 -2.24 -1.26 -4.89 114.28 107.84 1klj n THR 99 Ca 0.00 -0.16 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 1klj n THR 99 Cb 0.00 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1klj n THR 99 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1klj s ASN 100 N -0.69 6.51 -1.37 3.42 3.04 -1.26 -3.32 114.94 121.26 1klj s ASN 100 Ca 0.00 2.35 -0.09 0.00 0.04 0.00 0.00 52.86 55.16 1klj s ASN 100 Cb 0.00 -2.61 0.02 0.00 -1.54 0.00 0.00 41.25 37.12 1klj s ASN 100 CO 0.00 -0.69 1.12 1.41 -3.04 0.00 0.00 177.10 175.91 1klj n HIS 101 N 0.06 -2.70 -1.79 0.43 8.25 -1.26 -4.42 115.22 113.79 1klj n HIS 101 Ca 0.04 0.99 -0.40 0.00 -0.26 0.00 0.00 57.72 58.09 1klj n HIS 101 Cb 0.46 -4.86 -0.03 0.00 1.12 0.00 0.00 29.99 26.69 1klj n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1klj n ASP 102 N -3.00 3.58 -3.85 0.41 2.03 -1.21 -4.72 116.55 109.79 1klj n ASP 102 Ca -0.02 -2.79 -0.12 0.00 0.52 0.00 0.00 54.79 52.38 1klj n ASP 102 Cb 0.57 -1.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.33 1klj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1klj s ILE 103 N 5.18 0.06 -0.06 5.18 2.07 -1.26 -4.09 121.20 128.27 1klj s ILE 103 Ca 0.55 -0.47 -0.06 0.00 -1.41 0.00 0.00 60.65 59.26 1klj s ILE 103 Cb 0.10 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1klj s ILE 103 CO 0.04 -0.26 0.17 0.00 -1.91 0.00 0.00 174.94 172.98 1klj s ALA 104 N -0.93 -0.41 -0.22 1.50 0.00 -0.99 -3.89 121.76 116.82 1klj s ALA 104 Ca -0.10 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1klj s ALA 104 Cb -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1klj s ALA 104 CO 0.01 -0.09 -0.14 -1.17 0.00 0.00 0.00 175.76 174.37 1klj s LEU 105 N 0.20 2.70 -0.10 0.00 2.96 0.10 -0.18 118.68 124.37 1klj s LEU 105 Ca -0.01 -0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 52.99 1klj s LEU 105 Cb -0.02 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1klj s LEU 105 CO -0.01 -0.07 0.12 -0.76 -1.32 0.00 0.00 176.35 174.31 1klj s LEU 106 N 1.26 4.26 -0.22 -0.68 1.02 0.18 0.63 118.68 125.13 1klj s LEU 106 Ca 0.01 0.41 -0.03 0.00 0.02 0.00 0.00 54.13 54.54 1klj s LEU 106 Cb -0.15 -2.08 0.00 0.00 0.02 0.00 0.00 46.19 43.97 1klj s LEU 106 CO -0.09 0.39 -0.08 -0.60 0.02 0.00 0.00 176.35 176.00 1klj s ARG 107 N -1.10 3.24 0.42 1.70 3.52 0.12 -1.14 118.95 125.71 1klj s ARG 107 Ca 0.16 -0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 54.81 1klj s ARG 107 Cb -0.12 -2.92 -0.08 0.00 -1.56 0.00 0.00 34.95 30.27 1klj s ARG 107 CO 0.05 -0.22 1.15 -0.51 -0.81 0.00 0.00 175.30 174.96 1klj s LEU 108 N 1.43 4.13 0.35 -0.88 1.43 -0.16 0.34 118.68 125.31 1klj s LEU 108 Ca 0.05 2.29 0.03 0.00 -1.03 0.00 0.00 54.13 55.47 1klj s LEU 108 Cb -0.14 -4.11 0.65 0.00 0.03 0.00 0.00 46.19 42.61 1klj s LEU 108 CO -0.05 -0.73 1.98 -0.74 0.23 0.00 0.00 176.35 177.04 1klj h HIS 109 N 2.43 0.71 -4.01 0.29 -0.00 -0.47 -3.42 115.15 110.68 1klj h HIS 109 Ca -0.49 -0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 59.70 1klj h HIS 109 Cb 1.24 -0.23 -0.20 0.00 -0.00 0.00 0.00 27.41 28.21 1klj h HIS 109 CO 0.55 0.50 -0.70 -0.65 -0.00 0.00 0.00 177.93 177.62 1klj s GLN 110 N -5.51 0.40 0.48 5.26 -0.21 -1.26 -5.00 119.66 113.82 1klj s GLN 110 Ca -0.09 -0.74 -0.22 0.00 0.02 0.00 0.00 55.36 54.33 1klj s GLN 110 Cb 0.17 0.05 -0.07 0.00 1.00 0.00 0.00 33.01 34.16 1klj s GLN 110 CO 0.76 -0.04 1.18 -2.14 -2.12 0.00 0.00 175.29 172.93 1klj s PRO 111 N -1.89 3.64 0.54 2.91 0.02 -1.26 -4.90 135.00 134.05 1klj s PRO 111 Ca -0.11 1.79 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 1klj s PRO 111 Cb -0.07 -2.33 -0.06 0.00 0.02 0.00 0.00 34.50 32.05 1klj s PRO 111 CO -0.02 -0.65 1.03 0.14 -0.33 0.00 0.00 177.00 177.17 1klj s VAL 112 N -1.56 3.95 -0.30 3.83 -7.23 -0.57 -5.04 120.40 113.49 1klj s VAL 112 Ca 0.66 1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 61.74 1klj s VAL 112 Cb -0.29 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 1klj s VAL 112 CO 0.35 -0.44 0.25 -0.69 -0.31 0.00 0.00 175.10 174.26 1klj s VAL 113 N -2.31 5.27 0.37 1.32 1.01 -1.26 -4.86 120.40 119.94 1klj s VAL 113 Ca 0.64 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 1klj s VAL 113 Cb -0.15 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1klj s VAL 113 CO 0.29 0.15 1.46 -0.76 0.00 0.00 0.00 175.10 176.24 1klj s LEU 114 N 1.83 4.33 0.34 3.92 1.43 -1.26 -4.80 118.68 124.46 1klj s LEU 114 Ca 0.09 3.00 -0.09 0.00 -1.03 0.00 0.00 54.13 56.09 1klj s LEU 114 Cb -0.16 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1klj s LEU 114 CO 0.11 -0.83 0.58 0.42 0.23 0.00 0.00 176.35 176.86 1klj s THR 115 N -1.13 0.00 -0.07 5.49 -4.23 -0.46 -4.95 115.64 110.30 1klj s THR 115 Ca 0.52 -1.35 0.16 0.00 -1.18 0.00 0.00 61.69 59.84 1klj s THR 115 Cb -0.45 -2.60 0.16 0.00 1.34 0.00 0.00 72.50 70.94 1klj s THR 115 CO 0.62 0.00 1.41 0.47 -0.54 0.00 0.00 174.62 176.58 1klj n ASP 116 N -1.17 0.41 -0.00 3.99 8.00 -1.26 -1.75 116.55 124.77 1klj n ASP 116 Ca -0.03 0.62 0.04 0.00 0.71 0.00 0.00 54.79 56.14 1klj n ASP 116 Cb 0.61 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 1klj n ASP 116 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1klj n HIS 117 N -2.11 0.00 -3.93 1.24 8.25 -1.26 -4.88 115.22 112.53 1klj n HIS 117 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 1klj n HIS 117 Cb 0.22 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 31.11 1klj n HIS 117 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1klj s VAL 118 N -2.07 1.71 -0.01 1.59 1.01 -0.72 -4.16 120.40 117.75 1klj s VAL 118 Ca 0.01 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.25 1klj s VAL 118 Cb 0.06 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1klj s VAL 118 CO 0.35 -0.44 -0.01 -0.69 0.00 0.00 0.00 175.10 174.30 1klj s VAL 119 N 1.23 0.16 0.56 2.92 1.01 -1.03 -1.35 120.40 123.90 1klj s VAL 119 Ca 0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1klj s VAL 119 Cb -0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1klj s VAL 119 CO -0.12 0.07 1.03 -2.16 0.00 0.00 0.00 175.10 173.92 1klj s PRO 120 N 0.20 3.59 -0.16 2.72 0.04 -1.26 -2.28 135.00 137.85 1klj s PRO 120 Ca -0.02 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1klj s PRO 120 Cb -0.04 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1klj s PRO 120 CO -0.01 -0.58 0.21 -1.17 0.04 0.00 0.00 177.00 175.49 1klj s LEU 121 N -4.37 4.26 0.15 -3.56 2.96 0.15 -4.88 118.68 113.40 1klj s LEU 121 Ca 0.61 0.40 -0.32 0.00 -0.22 0.00 0.00 54.13 54.60 1klj s LEU 121 Cb -0.13 -2.22 -0.12 0.00 0.50 0.00 0.00 46.19 44.22 1klj s LEU 121 CO 0.36 0.19 1.75 0.00 -1.32 0.00 0.00 176.35 177.33 1klj s LEU 123 N 1.89 4.07 0.80 0.00 2.96 -1.26 -1.69 118.68 125.45 1klj s LEU 123 Ca 0.79 0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 55.20 1klj s LEU 123 Cb -0.53 -2.80 0.09 0.00 0.50 0.00 0.00 46.19 43.45 1klj s LEU 123 CO 0.36 -0.37 1.15 -2.16 -1.32 0.00 0.00 176.35 174.01 1klj s PRO 124 N 2.47 1.84 0.61 0.98 0.04 -1.26 -4.99 135.00 134.69 1klj s PRO 124 Ca 0.25 -0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.13 1klj s PRO 124 Cb -0.15 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1klj s PRO 124 CO 0.09 -1.61 0.94 -1.21 0.04 0.00 0.00 177.00 175.25 1klj s GLU 125 N -5.52 2.91 0.10 4.56 2.02 -1.26 -4.92 118.70 116.59 1klj s GLU 125 Ca 0.63 0.09 -0.31 0.00 0.02 0.00 0.00 54.97 55.40 1klj s GLU 125 Cb -0.10 -2.22 -0.13 0.00 0.10 0.00 0.00 34.13 31.78 1klj s GLU 125 CO 0.48 -0.76 1.60 -0.09 0.02 0.00 0.00 175.26 176.51 1klj h ARG 126 N -0.27 -0.71 0.68 1.61 9.65 -1.97 -2.23 114.38 121.14 1klj h ARG 126 Ca -0.45 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 1klj h ARG 126 Cb 1.25 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.99 1klj h ARG 126 CO 0.61 -0.47 -0.47 1.79 2.80 0.00 0.00 179.97 184.23 1klj h THR 127 N -0.74 0.06 -0.71 0.20 1.35 -1.95 -0.28 112.91 110.84 1klj h THR 127 Ca -0.02 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.00 1klj h THR 127 Cb 0.68 0.06 -0.11 0.00 -1.73 0.00 0.00 68.15 67.06 1klj h THR 127 CO -0.10 0.00 0.12 0.15 -0.25 0.00 0.00 175.52 175.44 1klj h PHE 128 N -1.10 0.17 -0.41 4.73 3.57 -1.97 0.57 116.94 122.49 1klj h PHE 128 Ca -0.09 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 1klj h PHE 128 Cb 0.90 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1klj h PHE 128 CO -0.14 -0.12 -0.29 1.03 -2.23 0.00 0.00 178.31 176.56 1klj h SER 129 N 0.21 0.92 -0.01 0.41 0.87 -1.28 0.93 113.55 115.61 1klj h SER 129 Ca 0.40 -0.37 -0.26 0.00 -1.23 0.00 0.00 61.79 60.33 1klj h SER 129 Cb 0.68 -0.26 0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1klj h SER 129 CO -0.53 1.14 -1.00 -0.33 -0.53 0.00 0.00 176.83 175.58 1klj h GLU 129 N 0.75 0.69 -0.00 2.24 5.08 -0.16 0.39 114.58 123.55 1klj h GLU 129 Ca 0.09 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1klj h GLU 129 Cb 0.85 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1klj h GLU 129 CO 0.07 1.31 -0.76 2.89 -1.00 0.00 0.00 179.01 181.52 1klj n ARG 129 N -3.89 0.37 0.01 2.33 1.85 0.11 -4.36 116.66 113.09 1klj n ARG 129 Ca -0.11 -0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 1klj n ARG 129 Cb 0.86 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 1klj n ARG 129 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1klj n THR 129 N -1.05 0.22 -0.11 8.89 -1.04 0.24 -4.80 114.28 116.64 1klj n THR 129 Ca 0.06 0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 62.02 1klj n THR 129 Cb 0.37 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 1klj n THR 129 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1klj h LEU 129 N 0.00 0.67 -0.05 -4.42 3.38 -1.27 -2.92 115.31 110.71 1klj h LEU 129 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1klj h LEU 129 Cb 0.74 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1klj h LEU 129 CO 0.00 0.92 0.20 0.00 0.09 0.00 0.00 178.44 179.64 1klj n ALA 129 N -2.44 0.62 0.43 1.53 0.00 0.12 0.60 120.51 121.37 1klj n ALA 129 Ca -0.03 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1klj n ALA 129 Cb 0.37 -0.63 0.01 0.00 0.00 0.00 0.00 19.45 19.21 1klj n ALA 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1klj n PHE 129 N -1.35 0.00 -2.44 0.00 3.72 -1.10 -4.95 117.46 111.35 1klj n PHE 129 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1klj n PHE 129 Cb 0.20 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1klj n PHE 129 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1klj s VAL 129 N -1.19 4.08 0.03 -4.37 1.01 0.20 -4.94 120.40 115.23 1klj s VAL 129 Ca 0.09 1.49 -0.25 0.00 0.00 0.00 0.00 61.98 63.32 1klj s VAL 129 Cb 0.08 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 1klj s VAL 129 CO 0.21 0.11 1.46 -0.09 0.00 0.00 0.00 175.10 176.79 1klj h ARG 134 N 6.83 -0.11 -5.72 2.72 2.43 -1.92 -3.45 114.38 115.16 1klj h ARG 134 Ca -0.41 0.01 -0.66 0.00 -0.81 0.00 0.00 59.98 58.10 1klj h ARG 134 Cb 1.21 0.02 -0.22 0.00 -0.42 0.00 0.00 29.97 30.57 1klj h ARG 134 CO 0.81 0.15 -0.71 -0.06 -1.51 0.00 0.00 179.97 178.65 1klj s PHE 135 N -5.16 2.91 0.18 2.20 0.08 -1.26 -1.86 117.98 115.07 1klj s PHE 135 Ca -0.15 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1klj s PHE 135 Cb 0.04 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1klj s PHE 135 CO 0.64 0.08 0.05 -1.12 -0.10 0.00 0.00 175.22 174.78 1klj s SER 136 N -0.18 0.80 -0.03 1.36 0.01 -0.97 -4.48 113.70 110.20 1klj s SER 136 Ca 0.02 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.02 1klj s SER 136 Cb -0.13 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1klj s SER 136 CO 0.03 -0.69 0.04 -0.76 0.41 0.00 0.00 173.24 172.27 1klj s LEU 137 N -3.16 3.72 0.05 2.44 1.43 0.12 -0.85 118.68 122.43 1klj s LEU 137 Ca 0.29 0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 1klj s LEU 137 Cb 0.07 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1klj s LEU 137 CO 0.06 0.31 -0.16 0.68 0.23 0.00 0.00 176.35 177.47 1klj s VAL 138 N -1.08 1.26 0.20 -1.59 -7.23 -0.88 0.14 120.40 111.22 1klj s VAL 138 Ca 0.19 -1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1klj s VAL 138 Cb -0.12 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.68 1klj s VAL 138 CO 0.09 -0.02 0.43 -0.94 -0.31 0.00 0.00 175.10 174.35 1klj s SER 139 N -1.36 -0.10 0.00 4.85 1.04 -1.24 -1.19 113.70 115.70 1klj s SER 139 Ca 0.02 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1klj s SER 139 Cb -0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1klj s SER 139 CO 0.02 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1klj n GLY 140 N -0.31 1.61 1.45 7.32 0.00 -0.96 -4.51 105.19 109.79 1klj n GLY 140 Ca -0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 1klj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1klj n TRP 141 N -0.88 1.68 -0.59 1.61 8.01 -1.26 -2.51 117.44 123.49 1klj n TRP 141 Ca 0.00 -1.35 -0.02 0.00 -1.31 0.00 0.00 57.50 54.82 1klj n TRP 141 Cb 0.00 -0.56 0.02 0.00 -2.01 0.00 0.00 31.31 28.76 1klj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1klj n GLY 142 N -0.73 -2.33 3.70 6.99 0.00 -1.23 -2.04 105.19 109.56 1klj n GLY 142 Ca 0.36 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1klj n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1klj n GLN 143 N -1.69 2.13 0.00 1.61 6.02 -1.08 -2.63 117.38 121.73 1klj n GLN 143 Ca 0.01 0.75 0.12 0.00 -0.01 0.00 0.00 57.00 57.87 1klj n GLN 143 Cb 0.04 -2.35 0.27 0.00 1.02 0.00 0.00 30.24 29.23 1klj n GLN 143 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1klj n LEU 144 N 0.69 0.91 -3.48 1.08 4.77 -0.98 -1.27 117.00 118.71 1klj n LEU 144 Ca 0.05 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1klj n LEU 144 Cb 0.37 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1klj n LEU 144 CO 0.62 0.19 0.46 -0.76 -1.33 0.00 0.00 177.39 176.56 1klj s LEU 145 N -2.71 -0.59 0.25 2.23 1.43 -1.26 -4.47 118.68 113.56 1klj s LEU 145 Ca 0.18 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 1klj s LEU 145 Cb 0.18 2.49 -0.11 0.00 0.03 0.00 0.00 46.19 48.79 1klj s LEU 145 CO 0.61 -0.74 1.55 -0.62 0.23 0.00 0.00 176.35 177.38 1klj s ASP 146 N -1.92 6.51 -1.54 2.29 -1.08 -1.26 -0.11 116.67 119.56 1klj s ASP 146 Ca -0.04 2.79 0.00 0.00 -0.52 0.00 0.00 52.55 54.77 1klj s ASP 146 Cb -0.01 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1klj s ASP 146 CO -0.01 -0.83 0.00 0.54 0.52 0.00 0.00 175.17 175.39 1klj n ARG 147 N 2.73 -1.43 -2.65 4.34 1.74 -1.26 -4.96 116.66 115.16 1klj n ARG 147 Ca 0.09 1.00 -0.16 0.00 -0.77 0.00 0.00 57.85 58.02 1klj n ARG 147 Cb 0.38 -5.32 0.04 0.00 -1.02 0.00 0.00 32.46 26.55 1klj n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1klj n GLY 149 N -0.35 2.09 3.80 -0.13 0.00 0.85 -5.11 105.19 106.34 1klj n GLY 149 Ca -0.15 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.31 1klj n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klj s ALA 150 N -2.55 3.21 1.15 4.61 0.00 -1.26 -4.67 121.76 122.24 1klj s ALA 150 Ca 0.44 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 1klj s ALA 150 Cb -0.03 -3.07 0.26 0.00 0.00 0.00 0.00 23.12 20.28 1klj s ALA 150 CO 0.28 0.20 1.12 0.95 0.00 0.00 0.00 175.76 178.32 1klj s THR 151 N -1.79 1.71 0.17 0.00 -4.23 -1.26 -2.32 115.64 107.91 1klj s THR 151 Ca 0.53 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 1klj s THR 151 Cb -0.15 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1klj s THR 151 CO 0.20 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 174.66 1klj s ALA 152 N -3.07 3.81 -0.05 3.99 0.00 -0.86 -4.78 121.76 120.79 1klj s ALA 152 Ca 0.70 -0.68 0.12 0.00 0.00 0.00 0.00 51.96 52.11 1klj s ALA 152 Cb -0.11 -2.07 -0.23 0.00 0.00 0.00 0.00 23.12 20.71 1klj s ALA 152 CO 0.56 0.56 0.65 1.28 0.00 0.00 0.00 175.76 178.81 1klj n LEU 153 N -0.26 0.88 -4.65 0.00 4.77 -1.26 -4.85 117.00 111.63 1klj n LEU 153 Ca -0.03 0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 1klj n LEU 153 Cb 0.53 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1klj n LEU 153 CO 0.49 0.40 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.99 1klj s GLU 154 N -2.60 2.66 0.29 3.23 2.02 -1.26 0.13 118.70 123.18 1klj s GLU 154 Ca -0.05 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1klj s GLU 154 Cb 0.08 -2.59 -0.11 0.00 0.10 0.00 0.00 34.13 31.61 1klj s GLU 154 CO 0.82 0.60 1.61 -1.17 0.02 0.00 0.00 175.26 177.14 1klj s LEU 155 N -1.64 4.34 0.15 1.80 2.96 0.30 -4.89 118.68 121.71 1klj s LEU 155 Ca 0.20 2.97 0.06 0.00 -0.22 0.00 0.00 54.13 57.14 1klj s LEU 155 Cb -0.11 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1klj s LEU 155 CO 0.11 -0.93 0.02 -0.04 -1.32 0.00 0.00 176.35 174.19 1klj s MET 156 N -0.50 2.51 0.01 1.98 -1.94 -1.05 -0.31 119.30 120.01 1klj s MET 156 Ca 0.64 -1.01 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1klj s MET 156 Cb -0.48 -2.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 1klj s MET 156 CO 0.48 0.48 0.00 0.54 -0.01 0.00 0.00 175.02 176.51 1klj s VAL 157 N -1.62 0.08 -0.11 -6.03 0.11 -0.14 -2.28 120.40 110.41 1klj s VAL 157 Ca 0.27 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.62 1klj s VAL 157 Cb -0.10 -0.22 0.05 0.00 -1.53 0.00 0.00 36.38 34.58 1klj s VAL 157 CO 0.19 -0.36 0.24 -0.22 -3.33 0.00 0.00 175.10 171.63 1klj s LEU 158 N -1.08 0.38 -0.29 2.54 2.96 -0.33 -1.97 118.68 120.90 1klj s LEU 158 Ca -0.12 0.52 -0.24 0.00 -0.22 0.00 0.00 54.13 54.07 1klj s LEU 158 Cb -0.07 0.72 0.00 0.00 0.50 0.00 0.00 46.19 47.34 1klj s LEU 158 CO -0.00 -0.17 0.83 0.21 -1.32 0.00 0.00 176.35 175.89 1klj s ASN 159 N 1.32 6.74 0.05 3.68 3.04 -1.26 -2.08 114.94 126.43 1klj s ASN 159 Ca -0.09 0.81 0.06 0.00 0.04 0.00 0.00 52.86 53.69 1klj s ASN 159 Cb -0.10 -2.43 -0.03 0.00 -1.54 0.00 0.00 41.25 37.15 1klj s ASN 159 CO -0.08 -0.61 -0.18 0.68 -3.04 0.00 0.00 177.10 173.87 1klj s VAL 160 N 2.99 1.45 -0.05 -5.21 -7.23 -0.03 -4.94 120.40 107.38 1klj s VAL 160 Ca 0.34 -1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 59.10 1klj s VAL 160 Cb -0.14 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1klj s VAL 160 CO 0.11 0.07 0.68 -2.16 -0.31 0.00 0.00 175.10 173.49 1klj s PRO 161 N -1.30 4.42 -0.01 4.82 0.04 -1.26 -2.28 135.00 139.43 1klj s PRO 161 Ca 0.05 0.85 -0.24 0.00 0.04 0.00 0.00 61.00 61.69 1klj s PRO 161 Cb -0.09 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1klj s PRO 161 CO 0.02 0.13 0.73 0.50 0.04 0.00 0.00 177.00 178.43 1klj s ARG 162 N 0.56 4.45 0.46 4.56 3.52 -0.77 -1.41 118.95 130.32 1klj s ARG 162 Ca 0.36 0.97 0.08 0.00 -0.13 0.00 0.00 55.73 57.01 1klj s ARG 162 Cb -0.18 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1klj s ARG 162 CO 0.18 0.18 0.59 -0.51 -0.81 0.00 0.00 175.30 174.94 1klj s LEU 163 N 0.34 3.49 0.08 -0.88 1.02 -0.38 -4.96 118.68 117.38 1klj s LEU 163 Ca 0.38 -0.57 -0.19 0.00 0.02 0.00 0.00 54.13 53.77 1klj s LEU 163 Cb -0.19 -2.34 -0.07 0.00 0.02 0.00 0.00 46.19 43.61 1klj s LEU 163 CO 0.21 -0.88 0.56 -0.04 0.02 0.00 0.00 176.35 176.22 1klj s MET 164 N -4.39 4.18 0.31 1.70 -1.94 -1.26 -4.58 119.30 113.32 1klj s MET 164 Ca 0.55 0.72 0.07 0.00 -1.71 0.00 0.00 55.69 55.32 1klj s MET 164 Cb -0.08 -3.22 0.82 0.00 2.01 0.00 0.00 34.83 34.36 1klj s MET 164 CO 0.33 0.63 1.72 1.79 -0.01 0.00 0.00 175.02 179.49 1klj h THR 165 N 3.50 0.53 0.81 2.05 1.35 -1.95 0.44 112.91 119.64 1klj h THR 165 Ca -0.50 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 65.14 1klj h THR 165 Cb 1.21 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1klj h THR 165 CO 0.63 0.10 -0.43 -0.61 -0.25 0.00 0.00 175.52 174.96 1klj h GLN 166 N 0.53 -1.10 -0.88 4.72 4.15 -2.00 -2.40 115.11 118.13 1klj h GLN 166 Ca 0.61 0.08 0.14 0.00 0.77 0.00 0.00 58.65 60.25 1klj h GLN 166 Cb 1.15 0.25 -0.07 0.00 0.21 0.00 0.00 27.48 29.02 1klj h GLN 166 CO -0.49 -0.73 0.57 0.22 -1.93 0.00 0.00 178.83 176.47 1klj h ASP 167 N -1.14 0.65 -0.05 -0.69 -0.00 -1.69 -2.47 116.42 111.03 1klj h ASP 167 Ca -0.11 0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1klj h ASP 167 Cb 0.89 -0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 40.13 1klj h ASP 167 CO 0.16 0.33 0.02 0.00 -0.00 0.00 0.00 179.24 179.75 1klj n LEU 169 N -4.96 0.00 0.00 0.00 4.77 -0.92 -3.58 117.00 112.31 1klj n LEU 169 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1klj n LEU 169 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1klj n LEU 169 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 1klj n GLN 170 N 0.08 -0.65 -2.83 3.23 6.02 -0.65 -3.77 117.38 118.81 1klj n GLN 170 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1klj n GLN 170 Cb 0.00 -0.85 0.05 0.00 1.02 0.00 0.00 30.24 30.46 1klj n GLN 170 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1klj n SER 170 N 0.98 -0.38 0.00 1.08 7.64 -1.23 -4.90 113.62 116.80 1klj n SER 170 Ca 0.00 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1klj n SER 170 Cb 0.00 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1klj n SER 170 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1klj n ARG 170 N 0.00 0.00 0.00 1.43 1.74 -1.25 -5.18 116.66 113.41 1klj n ARG 170 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1klj n ARG 170 Cb 0.76 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.20 1klj n ARG 170 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1klj n ASN 175 N 0.00 0.00 -3.42 0.55 0.23 -1.26 -5.09 115.26 106.27 1klj n ASN 175 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.78 1klj n ASN 175 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 1klj n ASN 175 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1klj n ILE 176 N -2.00 -0.92 -0.80 1.53 5.41 -1.26 -5.06 119.36 116.25 1klj n ILE 176 Ca 0.00 -3.60 -0.29 0.00 1.00 0.00 0.00 62.75 59.86 1klj n ILE 176 Cb 0.00 -1.72 0.24 0.00 -0.71 0.00 0.00 39.64 37.45 1klj n ILE 176 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1klj s THR 177 N -0.18 1.74 -1.67 1.39 -4.23 -1.26 -4.89 115.64 106.54 1klj s THR 177 Ca 0.33 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.14 1klj s THR 177 Cb 0.04 -2.28 0.67 0.00 1.34 0.00 0.00 72.50 72.27 1klj s THR 177 CO -0.19 0.00 2.09 -1.84 -0.54 0.00 0.00 174.62 174.14 1klj n GLU 178 N -4.86 0.65 -0.22 3.99 0.28 -1.26 -2.24 120.64 116.98 1klj n GLU 178 Ca 0.08 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.12 1klj n GLU 178 Cb 0.58 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 32.08 1klj n GLU 178 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1klj n TYR 179 N -1.17 0.54 -4.27 -1.84 4.01 -1.26 -4.81 117.16 108.36 1klj n TYR 179 Ca 0.18 -0.22 -0.15 0.00 -0.16 0.00 0.00 57.90 57.55 1klj n TYR 179 Cb 0.18 -0.11 -0.10 0.00 -0.31 0.00 0.00 39.34 39.00 1klj n TYR 179 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1klj s MET 180 N -1.64 1.37 -0.09 -0.72 0.23 -0.95 -0.64 119.30 116.85 1klj s MET 180 Ca 0.19 -1.74 -0.21 0.00 -1.03 0.00 0.00 55.69 52.90 1klj s MET 180 Cb 0.12 0.02 0.05 0.00 -1.53 0.00 0.00 34.83 33.49 1klj s MET 180 CO 0.09 -0.38 0.50 -0.59 -2.03 0.00 0.00 175.02 172.61 1klj s PHE 181 N -3.89 -0.46 0.30 3.16 -0.12 -0.29 -4.61 117.98 112.07 1klj s PHE 181 Ca 0.38 0.93 -0.03 0.00 -0.05 0.00 0.00 56.93 58.16 1klj s PHE 181 Cb 0.07 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 1klj s PHE 181 CO 0.14 -0.41 0.54 0.00 -0.05 0.00 0.00 175.22 175.44 1klj s ALA 183 N -2.14 -1.84 0.00 0.00 0.00 -0.63 -1.25 121.76 115.91 1klj s ALA 183 Ca 0.43 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1klj s ALA 183 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1klj s ALA 183 CO 0.32 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1klj n GLY 184 N 0.66 0.15 3.04 0.00 0.00 -0.50 -0.76 105.19 107.78 1klj n GLY 184 Ca -0.14 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1klj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1klj s TYR 184 N -0.36 0.12 -2.61 1.61 1.51 -1.25 -4.24 117.35 112.13 1klj s TYR 184 Ca 0.00 -0.26 0.23 0.00 -1.01 0.00 0.00 57.07 56.03 1klj s TYR 184 Cb 0.00 -0.10 0.45 0.00 -0.11 0.00 0.00 41.96 42.20 1klj s TYR 184 CO 0.00 -0.23 1.41 -1.13 -1.11 0.00 0.00 175.55 174.49 1klj n SER 185 N 1.64 2.93 -1.93 2.29 3.41 -1.26 -4.36 113.62 116.34 1klj n SER 185 Ca -0.22 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.28 1klj n SER 185 Cb 0.56 -0.14 0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1klj n SER 185 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1klj n ASP 186 N 1.19 3.95 -1.43 4.04 5.68 -1.26 -0.18 116.55 128.54 1klj n ASP 186 Ca 0.17 -3.22 -0.08 0.00 -0.50 0.00 0.00 54.79 51.16 1klj n ASP 186 Cb 0.55 -0.78 -0.03 0.00 -1.14 0.00 0.00 41.12 39.72 1klj n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1klj n GLY 187 N -0.67 0.57 0.01 6.12 0.00 -1.26 -4.78 105.19 105.17 1klj n GLY 187 Ca 0.45 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.54 1klj n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1klj n SER 188 N -0.21 1.76 -3.75 1.61 3.41 -1.26 -4.82 113.62 110.35 1klj n SER 188 Ca -0.08 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 1klj n SER 188 Cb 0.32 1.62 -0.14 0.00 -0.26 0.00 0.00 64.21 65.75 1klj n SER 188 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1klj s LYS 188 N -2.95 0.13 0.00 4.33 1.02 -1.24 -3.52 119.74 117.50 1klj s LYS 188 Ca -0.05 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1klj s LYS 188 Cb 0.09 -0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1klj s LYS 188 CO 0.58 -0.15 0.00 -3.47 -0.92 0.00 0.00 175.35 171.39 1klj n ASP 189 N 4.09 0.00 -4.57 2.83 2.03 0.08 -3.91 116.55 117.10 1klj n ASP 189 Ca -0.25 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.75 1klj n ASP 189 Cb 0.53 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.82 1klj n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1klj s SER 190 N 0.00 4.47 0.54 1.67 1.04 -1.26 0.27 113.70 120.44 1klj s SER 190 Ca 0.00 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.24 1klj s SER 190 Cb 0.00 -0.98 0.02 0.00 0.10 0.00 0.00 66.02 65.17 1klj s SER 190 CO 0.00 0.26 0.22 0.00 0.98 0.00 0.00 173.24 174.70 1klj s LYS 192 N -4.12 4.26 0.00 0.00 1.02 -1.26 0.07 119.74 119.72 1klj s LYS 192 Ca 0.17 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1klj s LYS 192 Cb -0.01 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1klj s LYS 192 CO 0.11 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1klj n GLY 193 N 2.59 2.52 0.01 -3.33 0.00 -1.26 -2.64 105.19 103.08 1klj n GLY 193 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1klj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1klj n ASP 194 N 0.00 0.77 -4.54 1.61 8.00 0.11 -3.47 116.55 119.02 1klj n ASP 194 Ca 0.00 -0.30 -0.45 0.00 0.71 0.00 0.00 54.79 54.75 1klj n ASP 194 Cb 0.00 1.58 -0.02 0.00 -0.02 0.00 0.00 41.12 42.66 1klj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1klj n SER 195 N -1.91 0.65 0.00 -2.24 7.64 -1.22 -0.67 113.62 115.87 1klj n SER 195 Ca -0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1klj n SER 195 Cb 0.42 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1klj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1klj n GLY 196 N 1.41 2.03 3.90 0.23 0.00 0.28 -1.84 105.19 111.19 1klj n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1klj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1klj s GLY 197 N -1.98 1.62 0.32 -0.02 0.00 0.15 -2.76 107.32 104.65 1klj s GLY 197 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 1klj s GLY 197 CO 0.00 -0.18 1.17 2.56 0.00 0.00 0.00 173.10 176.65 1klj s PRO 198 N -5.25 4.46 -0.36 2.90 0.04 -1.26 -0.69 135.00 134.84 1klj s PRO 198 Ca 0.57 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 63.51 1klj s PRO 198 Cb -0.11 -3.06 0.08 0.00 0.04 0.00 0.00 34.50 31.45 1klj s PRO 198 CO 0.49 0.01 0.11 -1.58 0.04 0.00 0.00 177.00 176.07 1klj s HIS 199 N -1.21 3.46 -0.14 0.56 2.46 0.16 -3.61 115.29 116.97 1klj s HIS 199 Ca 0.48 -2.21 -0.03 0.00 0.47 0.00 0.00 55.06 53.78 1klj s HIS 199 Cb -0.34 -2.74 -0.03 0.00 -0.13 0.00 0.00 32.58 29.35 1klj s HIS 199 CO 0.44 -0.90 -0.04 0.00 -2.47 0.00 0.00 174.74 171.77 1klj s ALA 200 N 1.18 3.00 -0.09 1.58 0.00 0.36 -1.49 121.76 126.30 1klj s ALA 200 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1klj s ALA 200 Cb -0.21 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1klj s ALA 200 CO -0.03 0.30 -0.03 0.99 0.00 0.00 0.00 175.76 176.99 1klj s THR 201 N 0.10 4.01 -0.10 0.00 2.01 0.50 -0.70 115.64 121.47 1klj s THR 201 Ca -0.01 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1klj s THR 201 Cb -0.14 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1klj s THR 201 CO 0.03 0.59 0.33 -2.28 -0.69 0.00 0.00 174.62 172.59 1klj s HIS 202 N -0.68 3.58 -0.20 4.92 2.46 -1.26 -1.33 115.29 122.78 1klj s HIS 202 Ca 0.11 0.75 -0.06 0.00 0.47 0.00 0.00 55.06 56.32 1klj s HIS 202 Cb -0.12 -2.28 0.10 0.00 -0.13 0.00 0.00 32.58 30.15 1klj s HIS 202 CO 0.02 0.44 0.41 -0.47 -2.47 0.00 0.00 174.74 172.67 1klj s TYR 203 N -0.26 -0.79 -1.32 3.88 5.04 -0.69 -4.98 117.35 118.22 1klj s TYR 203 Ca 0.20 1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 56.22 1klj s TYR 203 Cb -0.14 0.26 -0.00 0.00 0.35 0.00 0.00 41.96 42.42 1klj s TYR 203 CO 0.08 -0.51 0.59 0.54 -1.34 0.00 0.00 175.55 174.91 1klj n ARG 204 N 5.39 -3.80 -1.09 4.97 5.12 -1.26 -1.85 116.66 124.14 1klj n ARG 204 Ca -0.08 0.52 -0.03 0.00 -1.93 0.00 0.00 57.85 56.33 1klj n ARG 204 Cb 0.50 -4.81 -0.01 0.00 -1.16 0.00 0.00 32.46 26.98 1klj n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1klj n GLY 205 N -1.75 0.63 3.20 -0.13 0.00 -1.26 -5.04 105.19 100.84 1klj n GLY 205 Ca -0.28 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1klj n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1klj s THR 206 N -2.09 -0.02 0.17 2.61 2.01 -0.77 -5.15 115.64 112.39 1klj s THR 206 Ca 0.00 0.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 1klj s THR 206 Cb 0.00 -0.52 -0.08 0.00 0.01 0.00 0.00 72.50 71.91 1klj s THR 206 CO 0.00 0.04 0.65 0.26 -0.69 0.00 0.00 174.62 174.87 1klj s TRP 207 N 1.12 3.69 0.04 4.92 0.52 -1.26 -1.70 118.94 126.27 1klj s TRP 207 Ca -0.08 1.30 0.02 0.00 0.02 0.00 0.00 56.10 57.36 1klj s TRP 207 Cb -0.08 -2.54 -0.02 0.00 -1.15 0.00 0.00 33.47 29.68 1klj s TRP 207 CO -0.09 0.43 -0.07 0.71 0.02 0.00 0.00 176.95 177.95 1klj s TYR 208 N -1.39 0.63 -0.31 -1.98 1.51 -0.44 -3.34 117.35 112.03 1klj s TYR 208 Ca 0.38 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1klj s TYR 208 Cb -0.17 -0.38 -0.00 0.00 -0.11 0.00 0.00 41.96 41.29 1klj s TYR 208 CO 0.21 -0.09 1.38 -1.17 -1.11 0.00 0.00 175.55 174.76 1klj s LEU 209 N -1.54 3.82 -0.02 -1.29 2.96 -0.68 -0.37 118.68 121.56 1klj s LEU 209 Ca -0.10 1.19 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1klj s LEU 209 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1klj s LEU 209 CO 0.00 -1.19 0.04 0.35 -1.32 0.00 0.00 176.35 174.23 1klj n THR 210 N 6.43 0.09 -4.03 3.68 -2.24 -0.56 -4.57 114.28 113.08 1klj n THR 210 Ca 0.16 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1klj n THR 210 Cb 0.47 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1klj n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1klj s GLY 211 N -2.84 0.36 -0.13 3.38 0.00 -0.59 -1.95 107.32 105.56 1klj s GLY 211 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1klj s GLY 211 CO 0.11 -1.07 -0.19 -0.42 0.00 0.00 0.00 173.10 171.54 1klj s ILE 212 N -3.24 2.44 -0.00 0.90 1.01 -1.05 0.36 121.20 121.61 1klj s ILE 212 Ca 0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1klj s ILE 212 Cb 0.03 -1.99 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 1klj s ILE 212 CO -0.07 0.54 2.02 0.52 0.00 0.00 0.00 174.94 177.94 1klj n VAL 213 N 3.85 0.71 0.00 2.92 0.31 0.13 -0.83 118.33 125.41 1klj n VAL 213 Ca -0.19 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1klj n VAL 213 Cb 0.52 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1klj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1klj n SER 214 N 8.25 0.00 0.00 4.52 2.88 -1.13 0.10 113.62 128.24 1klj n SER 214 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1klj n SER 214 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1klj n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1klj n TRP 215 N 0.00 0.00 0.00 0.66 4.27 -1.25 -4.72 117.44 116.40 1klj n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1klj n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1klj n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1klj n GLY 216 N 5.00 4.40 3.57 -1.67 0.00 -1.26 -3.32 105.19 111.92 1klj n GLY 216 Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1klj n GLY 216 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1klj s GLN 217 N -3.32 2.75 1.48 1.61 2.00 -1.26 -4.74 119.66 118.18 1klj s GLN 217 Ca 0.00 1.30 0.00 0.00 -2.00 0.00 0.00 55.36 54.66 1klj s GLN 217 Cb 0.00 -4.39 0.00 0.00 0.80 0.00 0.00 33.01 29.42 1klj s GLN 217 CO 0.00 -2.55 0.00 0.41 -0.50 0.00 0.00 175.29 172.65 1klj n GLY 219 N 5.72 -0.32 3.34 2.59 0.00 -1.26 -4.20 105.19 111.06 1klj n GLY 219 Ca 0.27 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1klj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klj n ALA 221 N 3.95 -1.00 -2.40 0.00 0.00 -1.26 -4.34 120.51 115.46 1klj n ALA 221 Ca -0.18 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1klj n ALA 221 Cb 0.52 -3.68 -0.02 0.00 0.00 0.00 0.00 19.45 16.26 1klj n ALA 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1klj s THR 221 N -3.13 4.11 0.57 0.00 2.01 -1.26 -4.16 115.64 113.78 1klj s THR 221 Ca 0.33 1.26 -0.18 0.00 0.31 0.00 0.00 61.69 63.41 1klj s THR 221 Cb -0.15 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.17 1klj s THR 221 CO 0.41 -0.43 0.64 0.52 -0.69 0.00 0.00 174.62 175.06 1klj n VAL 222 N 6.16 2.60 -1.00 3.82 0.31 -1.26 -1.56 118.33 127.39 1klj n VAL 222 Ca 0.15 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1klj n VAL 222 Cb 0.46 -0.79 -0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1klj n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1klj n GLY 223 N 1.66 0.40 3.05 2.92 0.00 0.75 -4.90 105.19 109.07 1klj n GLY 223 Ca 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1klj n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1klj s HIS 224 N -1.80 0.57 0.40 1.61 4.02 -0.60 -4.80 115.29 114.69 1klj s HIS 224 Ca 0.00 -0.60 0.08 0.00 1.02 0.00 0.00 55.06 55.55 1klj s HIS 224 Cb 0.00 -0.35 -0.04 0.00 -1.02 0.00 0.00 32.58 31.16 1klj s HIS 224 CO 0.00 -0.15 0.22 -0.06 1.02 0.00 0.00 174.74 175.78 1klj s PHE 225 N -1.88 2.65 0.25 1.40 0.08 -1.26 -3.98 117.98 115.23 1klj s PHE 225 Ca -0.08 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.27 1klj s PHE 225 Cb -0.07 -1.96 -0.08 0.00 -0.57 0.00 0.00 43.02 40.34 1klj s PHE 225 CO -0.01 0.13 0.70 0.20 -0.10 0.00 0.00 175.22 176.14 1klj s GLY 226 N -3.95 2.48 -0.11 4.36 0.00 0.06 -4.67 107.32 105.49 1klj s GLY 226 Ca 0.42 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 45.20 1klj s GLY 226 CO 0.24 0.34 -0.08 0.14 0.00 0.00 0.00 173.10 173.74 1klj s VAL 227 N -1.69 3.51 0.01 1.40 1.01 -1.21 -1.60 120.40 121.84 1klj s VAL 227 Ca 0.46 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1klj s VAL 227 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1klj s VAL 227 CO 0.20 0.54 -0.13 -0.31 0.00 0.00 0.00 175.10 175.40 1klj s TYR 228 N -0.12 1.15 0.18 5.22 1.51 -0.57 -2.85 117.35 121.87 1klj s TYR 228 Ca 0.01 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 1klj s TYR 228 Cb -0.13 -0.71 -0.10 0.00 -0.11 0.00 0.00 41.96 40.91 1klj s TYR 228 CO 0.03 0.00 1.56 0.99 -1.11 0.00 0.00 175.55 177.02 1klj s THR 229 N -0.57 2.58 -0.84 -0.71 2.01 -0.01 -1.13 115.64 116.97 1klj s THR 229 Ca 0.03 0.43 -0.25 0.00 0.31 0.00 0.00 61.69 62.21 1klj s THR 229 Cb -0.06 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1klj s THR 229 CO 0.00 0.04 1.46 -0.60 -0.69 0.00 0.00 174.62 174.84 1klj s ARG 230 N 0.88 3.21 0.33 4.92 3.52 0.18 -2.53 118.95 129.45 1klj s ARG 230 Ca 0.68 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.91 1klj s ARG 230 Cb -0.44 -4.69 0.77 0.00 -1.56 0.00 0.00 34.95 29.03 1klj s ARG 230 CO 0.33 -2.35 1.82 0.28 -0.81 0.00 0.00 175.30 174.58 1klj h VAL 231 N 6.50 0.78 -0.94 7.11 2.07 -1.71 -2.27 116.25 127.79 1klj h VAL 231 Ca -0.08 -0.26 0.25 0.00 0.82 0.00 0.00 66.70 67.43 1klj h VAL 231 Cb 1.05 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1klj h VAL 231 CO 1.32 0.14 0.65 0.77 0.02 0.00 0.00 177.57 180.46 1klj h SER 232 N 0.75 0.21 0.18 0.57 4.64 -1.88 0.43 113.55 118.45 1klj h SER 232 Ca 0.51 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1klj h SER 232 Cb 0.80 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1klj h SER 232 CO -0.28 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 1klj n GLN 233 N -4.40 0.39 0.00 4.77 1.13 -0.85 -3.27 117.38 115.14 1klj n GLN 233 Ca 0.20 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1klj n GLN 233 Cb 0.88 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.73 1klj n GLN 233 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1klj n TYR 234 N -1.16 0.00 -0.08 1.08 4.01 0.15 -4.83 117.16 116.33 1klj n TYR 234 Ca 0.11 -0.16 -0.07 0.00 -0.16 0.00 0.00 57.90 57.62 1klj n TYR 234 Cb 0.10 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1klj n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1klj h ILE 235 N 0.65 0.57 -0.75 -0.72 1.08 -1.52 0.15 117.51 116.97 1klj h ILE 235 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1klj h ILE 235 Cb 0.40 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1klj h ILE 235 CO 0.00 0.00 0.27 -0.33 -0.69 0.00 0.00 178.15 177.40 1klj h GLU 236 N -0.08 1.14 0.92 2.37 5.08 -1.88 0.31 114.58 122.45 1klj h GLU 236 Ca 0.16 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1klj h GLU 236 Cb 0.32 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1klj h GLU 236 CO -0.36 0.95 -0.44 2.35 -1.00 0.00 0.00 179.01 180.51 1klj h TRP 237 N 1.10 -1.15 -0.62 4.33 7.01 -1.76 0.72 115.95 125.58 1klj h TRP 237 Ca 0.25 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.34 1klj h TRP 237 Cb 0.26 0.38 -0.12 0.00 -2.10 0.00 0.00 29.16 27.58 1klj h TRP 237 CO 0.02 -0.71 -0.17 -0.07 -2.79 0.00 0.00 178.44 174.72 1klj h LEU 238 N -1.26 -0.62 -0.61 0.65 3.38 -0.20 -2.17 115.31 114.48 1klj h LEU 238 Ca -0.13 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1klj h LEU 238 Cb 0.95 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1klj h LEU 238 CO 0.21 -0.22 0.13 1.56 0.09 0.00 0.00 178.44 180.21 1klj h GLN 239 N -0.01 0.99 -0.66 1.13 4.20 -0.13 -0.09 115.11 120.53 1klj h GLN 239 Ca 0.30 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1klj h GLN 239 Cb 0.47 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1klj h GLN 239 CO -0.65 0.91 0.43 -0.22 -0.67 0.00 0.00 178.83 178.63 1klj h LYS 240 N 0.90 0.84 -0.45 1.46 3.64 -0.31 -1.86 116.57 120.79 1klj h LYS 240 Ca 0.19 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1klj h LYS 240 Cb 0.38 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1klj h LYS 240 CO 0.01 0.55 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.43 1klj h LEU 241 N 0.86 0.99 -2.15 5.20 3.38 -1.14 -2.58 115.31 119.87 1klj h LEU 241 Ca 0.25 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1klj h LEU 241 Cb -0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1klj h LEU 241 CO -0.07 1.18 0.00 0.24 0.09 0.00 0.00 178.44 179.89 1klj h MET 242 N 0.80 0.00 -0.12 1.13 2.86 -0.26 -1.75 114.93 117.59 1klj h MET 242 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1klj h MET 242 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1klj h MET 242 CO 0.07 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.58 1klj n ARG 243 N -3.02 2.27 -2.63 1.72 1.74 -0.77 -4.94 116.66 111.03 1klj n ARG 243 Ca -0.01 -1.87 -0.22 0.00 -0.77 0.00 0.00 57.85 54.98 1klj n ARG 243 Cb 0.18 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.20 1klj n ARG 243 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1klj s SER 244 N -1.86 5.06 0.10 0.55 0.01 -0.66 -5.07 113.70 111.83 1klj s SER 244 Ca 0.32 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.37 1klj s SER 244 Cb 0.21 -0.65 -0.06 0.00 0.21 0.00 0.00 66.02 65.72 1klj s SER 244 CO 0.31 -1.31 0.43 -1.61 0.41 0.00 0.00 173.24 171.46 1klj s GLU 245 N -4.85 3.79 0.22 12.44 0.41 -1.26 -5.03 118.70 124.41 1klj s GLU 245 Ca 0.59 0.21 -0.31 0.00 -0.41 0.00 0.00 54.97 55.06 1klj s GLU 245 Cb -0.09 -2.97 -0.11 0.00 -1.78 0.00 0.00 34.13 29.18 1klj s GLU 245 CO 0.40 0.54 1.59 -2.14 -0.49 0.00 0.00 175.26 175.16 1klj s PRO 246 N -1.97 4.18 0.01 0.39 0.02 -1.26 -5.02 135.00 131.35 1klj s PRO 246 Ca 0.34 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.83 1klj s PRO 246 Cb -0.14 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1klj s PRO 246 CO 0.19 -0.62 0.06 1.03 -0.33 0.00 0.00 177.00 177.32 1klj s ARG 247 N 0.55 2.96 0.53 5.54 0.52 -1.26 -5.08 118.95 122.71 1klj s ARG 247 Ca 0.68 -0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 55.13 1klj s ARG 247 Cb -0.46 -2.79 -0.07 0.00 0.52 0.00 0.00 34.95 32.15 1klj s ARG 247 CO 0.37 0.63 0.98 -2.30 0.02 0.00 0.00 175.30 174.99 1klj n PRO 248 N 1.13 1.11 0.00 3.54 -0.02 -1.26 -4.89 135.00 134.61 1klj n PRO 248 Ca -0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1klj n PRO 248 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1klj n PRO 248 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1klj n GLY 249 N 1.25 3.15 0.13 -1.23 0.00 -1.26 -4.98 105.19 102.24 1klj n GLY 249 Ca 0.12 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 1klj n GLY 249 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1klj n VAL 250 N -0.20 1.69 -4.02 1.61 0.31 -1.26 -4.74 118.33 111.71 1klj n VAL 250 Ca 0.00 -0.49 -0.35 0.00 -0.01 0.00 0.00 64.34 63.49 1klj n VAL 250 Cb 0.00 -1.78 -0.14 0.00 -0.91 0.00 0.00 33.84 31.01 1klj n VAL 250 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1klj s LEU 251 N -7.20 2.77 -0.02 7.52 2.96 -1.26 -0.30 118.68 123.16 1klj s LEU 251 Ca -0.26 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1klj s LEU 251 Cb 0.07 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1klj s LEU 251 CO 0.70 0.00 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.35 1klj s LEU 252 N 1.33 2.01 -0.19 -0.68 2.96 -0.78 -4.99 118.68 118.33 1klj s LEU 252 Ca 0.04 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1klj s LEU 252 Cb -0.14 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1klj s LEU 252 CO -0.04 0.18 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.02 1klj s ARG 253 N -0.30 3.55 0.00 1.98 0.52 -1.26 -1.75 118.95 121.68 1klj s ARG 253 Ca 0.05 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 1klj s ARG 253 Cb -0.07 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 1klj s ARG 253 CO -0.00 0.02 -0.07 0.00 0.02 0.00 0.00 175.30 175.26 1klj s ALA 254 N 0.95 3.00 0.59 2.13 0.00 -0.84 -4.87 121.76 122.73 1klj s ALA 254 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 1klj s ALA 254 Cb -0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1klj s ALA 254 CO 0.01 0.61 1.12 -2.30 0.00 0.00 0.00 175.76 175.21 1klj n PRO 255 N 1.58 1.12 -3.75 0.00 -0.02 -1.26 0.09 135.00 132.77 1klj n PRO 255 Ca -0.16 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1klj n PRO 255 Cb 0.53 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.57 1klj n PRO 255 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1klj s PHE 256 N -1.43 -0.40 -0.71 6.00 5.36 -1.26 -4.64 117.98 120.90 1klj s PHE 256 Ca 0.76 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 1klj s PHE 256 Cb -0.41 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.40 1klj s PHE 256 CO 0.46 -0.20 0.18 -2.30 -1.46 0.00 0.00 175.22 171.90