#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knu s MET 1 N 0.00 4.35 -0.18 -1.46 -2.45 -1.24 -4.87 119.30 113.44 3knu s MET 1 Ca 0.00 1.95 -0.02 0.00 -1.25 0.00 0.00 55.69 56.37 3knu s MET 1 Cb 0.00 -3.34 -0.01 0.00 1.25 0.00 0.00 34.83 32.73 3knu s MET 1 CO 0.00 -0.40 -0.08 0.42 1.05 0.00 0.00 175.02 176.01 3knu s ILE 2 N 1.31 3.24 -0.16 10.11 1.01 -0.24 -1.39 121.20 135.07 3knu s ILE 2 Ca 0.62 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 3knu s ILE 2 Cb -0.33 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3knu s ILE 2 CO 0.29 0.47 -0.04 -0.36 0.00 0.00 0.00 174.94 175.30 3knu s PHE 3 N 1.01 3.00 -0.21 3.97 0.08 -0.15 -0.87 117.98 124.81 3knu s PHE 3 Ca -0.00 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 3knu s PHE 3 Cb -0.15 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3knu s PHE 3 CO -0.01 -0.11 -0.02 -0.80 -0.10 0.00 0.00 175.22 174.19 3knu s ASN 4 N 0.51 4.54 -0.14 1.36 0.01 0.16 -0.68 114.94 120.70 3knu s ASN 4 Ca -0.03 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 3knu s ASN 4 Cb -0.14 -1.78 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 3knu s ASN 4 CO 0.03 0.01 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.83 3knu s VAL 5 N 1.31 3.23 -0.28 1.60 1.01 0.56 -0.15 120.40 127.67 3knu s VAL 5 Ca 0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3knu s VAL 5 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3knu s VAL 5 CO -0.01 0.52 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 3knu s LEU 6 N 0.37 3.68 0.02 3.92 1.43 -0.26 -0.51 118.68 127.33 3knu s LEU 6 Ca -0.09 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 3knu s LEU 6 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.24 3knu s LEU 6 CO 0.05 -0.17 0.22 0.28 0.23 0.00 0.00 176.35 176.96 3knu s THR 7 N 1.46 0.09 -2.55 5.49 -1.32 -0.89 -1.23 115.64 116.68 3knu s THR 7 Ca 0.02 -0.75 0.27 0.00 -1.21 0.00 0.00 61.69 60.02 3knu s THR 7 Cb -0.17 -0.77 0.48 0.00 -1.51 0.00 0.00 72.50 70.53 3knu s THR 7 CO 0.01 -0.41 1.65 2.30 -2.21 0.00 0.00 174.62 175.96 3knu n ILE 8 N 0.92 0.00 -3.03 5.08 -5.35 -1.26 -0.83 119.36 114.89 3knu n ILE 8 Ca -0.20 -0.29 -0.27 0.00 -0.27 0.00 0.00 62.75 61.72 3knu n ILE 8 Cb 0.58 0.67 -0.05 0.00 -1.74 0.00 0.00 39.64 39.10 3knu n ILE 8 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3knu n PHE 9 N 0.34 3.88 0.22 4.28 3.72 -1.26 -4.91 117.46 123.73 3knu n PHE 9 Ca 0.18 -4.02 0.16 0.00 -0.05 0.00 0.00 57.45 53.72 3knu n PHE 9 Cb 0.40 -0.50 0.83 0.00 -0.94 0.00 0.00 39.48 39.26 3knu n PHE 9 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3knu h PRO 10 N 3.19 0.00 0.00 -1.08 0.13 -1.91 -2.26 132.00 130.07 3knu h PRO 10 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3knu h PRO 10 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3knu h PRO 10 CO 0.81 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 178.02 3knu h GLN 11 N 0.00 0.00 0.00 0.86 -0.00 -1.98 -2.32 115.11 111.67 3knu h GLN 11 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 3knu h GLN 11 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.84 3knu h GLN 11 CO -0.00 0.00 -0.09 0.52 -0.00 0.00 0.00 178.83 179.26 3knu h MET 12 N 0.00 0.00 -6.11 0.06 2.86 -1.84 -3.45 114.93 106.45 3knu h MET 12 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 3knu h MET 12 Cb 0.49 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.07 3knu h MET 12 CO 0.00 0.09 -0.58 -0.06 1.06 0.00 0.00 176.91 177.42 3knu s PHE 13 N -4.17 3.27 0.05 -0.22 0.40 -0.87 -2.46 117.98 113.97 3knu s PHE 13 Ca -0.03 0.12 0.28 0.00 -0.60 0.00 0.00 56.93 56.70 3knu s PHE 13 Cb 0.13 -1.66 1.01 0.00 0.51 0.00 0.00 43.02 43.01 3knu s PHE 13 CO 0.56 0.54 1.86 -1.00 0.70 0.00 0.00 175.22 177.87 3knu h PRO 14 N 3.27 0.00 0.00 0.24 0.13 -1.87 -3.50 132.00 130.27 3knu h PRO 14 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3knu h PRO 14 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3knu h PRO 14 CO 0.68 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 3knu n GLY 15 N 0.25 3.26 0.33 1.56 0.00 -1.03 -0.72 105.19 108.83 3knu n GLY 15 Ca 0.01 0.05 0.21 0.00 0.00 0.00 0.00 46.02 46.29 3knu n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knu h PRO 16 N 0.00 0.00 0.00 1.61 0.11 -1.99 -0.91 132.00 130.82 3knu h PRO 16 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3knu h PRO 16 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3knu h PRO 16 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3knu n LEU 17 N -3.15 0.17 -1.23 2.35 4.77 0.10 -3.40 117.00 116.61 3knu n LEU 17 Ca -0.02 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.58 3knu n LEU 17 Cb 0.11 -0.49 0.29 0.00 -2.33 0.00 0.00 43.42 41.00 3knu n LEU 17 CO 0.22 -0.20 0.74 0.61 -1.33 0.00 0.00 177.39 177.43 3knu n GLY 18 N 0.63 2.06 3.46 -0.72 0.00 -0.35 -2.93 105.19 107.34 3knu n GLY 18 Ca 0.05 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3knu n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knu s VAL 19 N -1.31 2.83 0.00 1.61 1.01 -1.22 -4.24 120.40 119.08 3knu s VAL 19 Ca 0.43 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3knu s VAL 19 Cb 0.24 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3knu s VAL 19 CO 0.27 0.39 0.00 -0.24 0.00 0.00 0.00 175.10 175.52 3knu n SER 20 N 1.71 0.00 -0.27 3.32 2.88 -1.26 -2.29 113.62 117.71 3knu n SER 20 Ca -0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.32 3knu n SER 20 Cb 0.52 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 3knu n SER 20 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3knu h ASN 21 N 6.94 1.05 -0.34 -3.46 4.21 -1.96 -1.10 115.58 120.92 3knu h ASN 21 Ca 0.00 -0.18 0.02 0.00 1.21 0.00 0.00 56.30 57.35 3knu h ASN 21 Cb 0.00 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 36.90 3knu h ASN 21 CO 0.00 0.95 0.17 -0.07 -1.29 0.00 0.00 177.43 177.18 3knu h LEU 22 N 1.09 0.24 -0.70 1.61 3.38 -1.82 -0.43 115.31 118.68 3knu h LEU 22 Ca 0.25 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3knu h LEU 22 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3knu h LEU 22 CO -0.02 0.18 -0.15 1.23 0.09 0.00 0.00 178.44 179.78 3knu h GLY 23 N 0.34 0.92 1.44 0.83 0.00 -1.01 -0.41 103.07 105.18 3knu h GLY 23 Ca 0.14 -0.73 -0.25 0.00 0.00 0.00 0.00 47.33 46.48 3knu h GLY 23 CO -0.10 0.67 -1.06 1.48 0.00 0.00 0.00 176.54 177.53 3knu h SER 24 N 0.75 0.65 0.10 0.19 4.64 -1.12 -2.18 113.55 116.58 3knu h SER 24 Ca 0.12 -0.56 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 3knu h SER 24 Cb 0.66 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3knu h SER 24 CO 0.05 1.37 -0.08 0.00 -0.87 0.00 0.00 176.83 177.30 3knu h ALA 25 N 0.57 1.78 -0.34 5.18 0.00 -0.94 0.29 119.26 125.79 3knu h ALA 25 Ca -0.12 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3knu h ALA 25 Cb 1.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3knu h ALA 25 CO 0.19 0.10 -0.43 1.25 0.00 0.00 0.00 179.25 180.36 3knu h LEU 26 N 0.00 0.97 -0.40 0.00 5.85 -0.88 -1.12 115.31 119.74 3knu h LEU 26 Ca -0.00 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 3knu h LEU 26 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3knu h LEU 26 CO 0.01 1.27 -0.08 0.11 -0.34 0.00 0.00 178.44 179.41 3knu h LYS 27 N 0.70 0.76 0.00 1.25 6.56 -0.73 -2.96 116.57 122.15 3knu h LYS 27 Ca 0.04 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 3knu h LYS 27 Cb 1.03 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 3knu h LYS 27 CO 0.10 0.89 0.00 0.36 -2.06 0.00 0.00 179.45 178.74 3knu n LYS 28 N -4.35 0.19 -1.15 3.15 -0.00 0.03 -4.90 118.16 111.13 3knu n LYS 28 Ca -0.01 0.15 -0.05 0.00 -0.00 0.00 0.00 58.31 58.40 3knu n LYS 28 Cb 0.35 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.86 3knu n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3knu n GLY 29 N 0.08 0.77 0.25 2.58 0.00 -0.77 -4.89 105.19 103.22 3knu n GLY 29 Ca 0.07 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.41 3knu n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knu h LEU 30 N 0.00 0.00 -8.11 0.99 3.38 -1.51 -3.45 115.31 106.62 3knu h LEU 30 Ca -0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3knu h LEU 30 Cb 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 3knu h LEU 30 CO 0.15 0.13 -0.40 -1.66 0.09 0.00 0.00 178.44 176.75 3knu s TRP 31 N -3.83 0.45 -0.03 1.13 1.48 -1.23 -3.69 118.94 113.22 3knu s TRP 31 Ca -0.01 -0.83 0.04 0.00 -1.06 0.00 0.00 56.10 54.24 3knu s TRP 31 Cb 0.11 -0.14 -0.00 0.00 -1.16 0.00 0.00 33.47 32.27 3knu s TRP 31 CO 0.58 -0.65 -0.13 0.99 -4.06 0.00 0.00 176.95 173.68 3knu s THR 32 N -3.97 1.11 -0.23 0.66 2.01 -0.49 -4.60 115.64 110.14 3knu s THR 32 Ca 0.16 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3knu s THR 32 Cb 0.04 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.66 3knu s THR 32 CO -0.01 0.32 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.93 3knu s LEU 33 N -0.05 2.72 -0.25 4.42 2.96 -1.26 -0.97 118.68 126.24 3knu s LEU 33 Ca -0.00 -1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 52.71 3knu s LEU 33 Cb -0.08 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3knu s LEU 33 CO 0.01 -0.19 0.04 0.20 -1.32 0.00 0.00 176.35 175.09 3knu s ASN 34 N 1.31 4.90 -0.36 3.68 0.01 0.14 -5.01 114.94 119.61 3knu s ASN 34 Ca -0.05 -0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 51.77 3knu s ASN 34 Cb -0.18 -1.87 0.08 0.00 0.41 0.00 0.00 41.25 39.69 3knu s ASN 34 CO -0.07 -0.04 0.12 -0.69 -1.51 0.00 0.00 177.10 174.91 3knu s VAL 35 N 1.57 3.30 -0.10 1.60 1.01 -1.26 -0.32 120.40 126.20 3knu s VAL 35 Ca 0.06 -1.66 -0.20 0.00 0.00 0.00 0.00 61.98 60.17 3knu s VAL 35 Cb -0.15 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3knu s VAL 35 CO 0.02 -0.41 0.56 -0.36 0.00 0.00 0.00 175.10 174.91 3knu s PHE 36 N 1.23 3.54 -0.55 5.22 0.08 0.34 -4.97 117.98 122.88 3knu s PHE 36 Ca 0.02 1.03 -0.24 0.00 0.12 0.00 0.00 56.93 57.85 3knu s PHE 36 Cb -0.21 -2.64 0.04 0.00 -0.57 0.00 0.00 43.02 39.64 3knu s PHE 36 CO -0.02 0.15 0.95 0.34 -0.10 0.00 0.00 175.22 176.54 3knu s ASP 37 N 0.65 6.35 0.36 1.36 -1.08 -1.26 -2.10 116.67 120.95 3knu s ASP 37 Ca 0.30 -0.31 0.12 0.00 -0.52 0.00 0.00 52.55 52.14 3knu s ASP 37 Cb -0.16 -2.44 0.90 0.00 -1.46 0.00 0.00 42.92 39.76 3knu s ASP 37 CO 0.13 -1.22 1.82 0.40 0.52 0.00 0.00 175.17 176.82 3knu h ILE 38 N 6.03 0.71 0.00 4.11 2.04 -1.35 -1.56 117.51 127.49 3knu h ILE 38 Ca -0.26 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3knu h ILE 38 Cb 1.07 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3knu h ILE 38 CO 1.09 0.11 -0.05 0.03 0.00 0.00 0.00 178.15 179.32 3knu h ARG 39 N 0.60 0.00 0.00 2.37 3.08 -1.91 -2.09 114.38 116.43 3knu h ARG 39 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3knu h ARG 39 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3knu h ARG 39 CO -0.27 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 178.69 3knu n ALA 40 N -2.35 1.75 0.03 0.04 0.00 -0.59 -2.43 120.51 116.96 3knu n ALA 40 Ca -0.03 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3knu n ALA 40 Cb 0.14 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.46 3knu n ALA 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3knu n PHE 41 N -1.91 0.55 -0.06 0.00 3.01 -0.79 -4.58 117.46 113.68 3knu n PHE 41 Ca 0.03 -0.35 -0.11 0.00 1.01 0.00 0.00 57.45 58.04 3knu n PHE 41 Cb 0.23 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 3knu n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knu h ALA 42 N 3.55 0.28 -6.44 4.37 0.00 -1.57 -3.44 119.26 116.01 3knu h ALA 42 Ca 0.00 -0.13 -0.49 0.00 0.00 0.00 0.00 54.91 54.29 3knu h ALA 42 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3knu h ALA 42 CO 0.00 -0.10 -0.89 0.09 0.00 0.00 0.00 179.25 178.34 3knu n ASN 43 N -4.79 -1.17 -3.93 0.00 3.02 -1.26 -4.86 115.26 102.26 3knu n ASN 43 Ca -0.04 -1.00 -0.10 0.00 -0.03 0.00 0.00 54.58 53.42 3knu n ASN 43 Cb 0.14 -3.14 -0.06 0.00 -0.61 0.00 0.00 39.78 36.11 3knu n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3knu s ASN 44 N -4.22 -0.03 0.41 6.41 2.20 -1.26 -5.08 114.94 113.37 3knu s ASN 44 Ca 0.08 -0.82 -0.26 0.00 -0.94 0.00 0.00 52.86 50.92 3knu s ASN 44 Cb -0.03 0.48 -0.10 0.00 -2.00 0.00 0.00 41.25 39.60 3knu s ASN 44 CO 0.88 -0.96 1.26 2.29 -2.94 0.00 0.00 177.10 177.63 3knu n LYS 45 N -0.27 1.91 -0.02 3.55 -0.00 -1.26 -1.64 118.16 120.43 3knu n LYS 45 Ca -0.07 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 3knu n LYS 45 Cb 0.63 -2.36 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 3knu n LYS 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3knu n HIS 46 N -0.18 0.00 -3.45 5.58 8.25 -1.26 -3.90 115.22 120.27 3knu n HIS 46 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 3knu n HIS 46 Cb 0.39 -0.68 0.06 0.00 1.12 0.00 0.00 29.99 30.88 3knu n HIS 46 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3knu n ASN 47 N 0.00 -5.30 -4.77 0.41 3.02 -0.65 -4.99 115.26 102.98 3knu n ASN 47 Ca 0.00 -0.81 -0.37 0.00 -0.03 0.00 0.00 54.58 53.37 3knu n ASN 47 Cb 0.00 -4.51 -0.07 0.00 -0.61 0.00 0.00 39.78 34.59 3knu n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3knu s THR 48 N -3.44 5.25 -0.54 3.41 -4.23 -1.25 -4.96 115.64 109.88 3knu s THR 48 Ca 0.38 0.62 0.22 0.00 -1.18 0.00 0.00 61.69 61.73 3knu s THR 48 Cb -0.08 -3.64 -0.26 0.00 1.34 0.00 0.00 72.50 69.86 3knu s THR 48 CO 0.78 0.46 0.75 1.33 -0.54 0.00 0.00 174.62 177.40 3knu n VAL 49 N 2.94 0.03 -4.14 2.29 0.24 -1.26 -4.86 118.33 113.57 3knu n VAL 49 Ca -0.13 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.82 3knu n VAL 49 Cb 0.52 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.25 3knu n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3knu s ASP 50 N -3.78 1.03 0.22 -1.34 -4.77 -1.26 -0.75 116.67 106.03 3knu s ASP 50 Ca 0.01 -0.91 -0.12 0.00 -3.30 0.00 0.00 52.55 48.23 3knu s ASP 50 Cb 0.15 0.09 -0.00 0.00 -1.09 0.00 0.00 42.92 42.07 3knu s ASP 50 CO 0.88 -0.42 0.44 -0.62 0.70 0.00 0.00 175.17 176.14 3knu s ASP 51 N -2.72 -0.08 0.38 2.11 -1.08 -0.63 -4.88 116.67 109.77 3knu s ASP 51 Ca 0.07 -0.87 -0.26 0.00 -0.52 0.00 0.00 52.55 50.96 3knu s ASP 51 Cb 0.02 0.55 -0.09 0.00 -1.46 0.00 0.00 42.92 41.94 3knu s ASP 51 CO -0.04 -1.07 1.20 0.42 0.52 0.00 0.00 175.17 176.20 3knu s THR 52 N -3.99 3.03 0.42 1.71 -4.23 -1.26 -0.80 115.64 110.51 3knu s THR 52 Ca 0.20 0.91 -0.26 0.00 -1.18 0.00 0.00 61.69 61.37 3knu s THR 52 Cb 0.00 -3.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.23 3knu s THR 52 CO 0.06 0.12 1.31 -2.16 -0.54 0.00 0.00 174.62 173.41 3knu s PRO 53 N -2.14 3.89 0.44 3.99 0.04 -1.26 -4.88 135.00 135.07 3knu s PRO 53 Ca 0.55 2.15 -0.26 0.00 0.04 0.00 0.00 61.00 63.48 3knu s PRO 53 Cb -0.33 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 3knu s PRO 53 CO 0.42 -0.56 1.44 0.71 0.04 0.00 0.00 177.00 179.05 3knu s TYR 54 N -1.28 2.47 0.00 0.56 2.02 -1.26 -3.17 117.35 116.70 3knu s TYR 54 Ca 0.58 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 3knu s TYR 54 Cb -0.38 -3.94 0.00 0.00 -0.40 0.00 0.00 41.96 37.24 3knu s TYR 54 CO 0.48 -2.96 0.00 0.41 -1.57 0.00 0.00 175.55 171.91 3knu n GLY 55 N 0.56 0.79 0.00 0.71 0.00 -1.26 -4.89 105.19 101.10 3knu n GLY 55 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3knu n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knu n GLY 56 N -2.00 -0.81 0.00 -0.02 0.00 -1.19 -5.13 105.19 96.04 3knu n GLY 56 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3knu n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knu n GLY 57 N -0.87 3.03 3.95 -0.02 0.00 -1.26 -4.82 105.19 105.20 3knu n GLY 57 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 3knu n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knu s PRO 58 N -3.65 1.37 1.43 1.61 0.04 -1.26 -4.69 135.00 129.84 3knu s PRO 58 Ca 0.00 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.46 3knu s PRO 58 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3knu s PRO 58 CO 0.00 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.64 3knu n GLY 59 N -3.26 -1.69 3.40 0.56 0.00 -1.26 -4.81 105.19 98.12 3knu n GLY 59 Ca 0.13 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 3knu n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knu s MET 60 N 0.00 1.58 -0.04 1.61 -1.94 -1.26 -4.41 119.30 114.84 3knu s MET 60 Ca 0.00 -1.88 -0.02 0.00 -1.71 0.00 0.00 55.69 52.09 3knu s MET 60 Cb 0.00 -0.61 0.02 0.00 2.01 0.00 0.00 34.83 36.25 3knu s MET 60 CO 0.00 -0.25 0.08 -1.17 -0.01 0.00 0.00 175.02 173.67 3knu s LEU 61 N -3.43 1.29 0.24 -0.03 2.96 0.02 -0.63 118.68 119.11 3knu s LEU 61 Ca 0.36 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 54.13 3knu s LEU 61 Cb 0.08 0.20 -0.11 0.00 0.50 0.00 0.00 46.19 46.86 3knu s LEU 61 CO 0.15 -0.08 1.55 -0.76 -1.32 0.00 0.00 176.35 175.89 3knu s LEU 62 N 0.60 4.37 0.24 -0.68 1.43 -0.53 -1.61 118.68 122.50 3knu s LEU 62 Ca -0.05 2.78 -0.26 0.00 -1.03 0.00 0.00 54.13 55.58 3knu s LEU 62 Cb -0.07 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 3knu s LEU 62 CO -0.02 -0.83 0.86 -0.13 0.23 0.00 0.00 176.35 176.45 3knu s ARG 63 N 0.04 4.60 0.31 1.70 0.52 0.07 -2.26 118.95 123.94 3knu s ARG 63 Ca 0.64 1.24 0.01 0.00 -0.52 0.00 0.00 55.73 57.11 3knu s ARG 63 Cb -0.45 -3.08 0.52 0.00 0.52 0.00 0.00 34.95 32.45 3knu s ARG 63 CO 0.41 0.45 1.89 0.00 0.02 0.00 0.00 175.30 178.08 3knu h ALA 64 N 3.82 1.35 -0.16 2.13 0.00 -1.90 -1.55 119.26 122.95 3knu h ALA 64 Ca -0.47 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 3knu h ALA 64 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3knu h ALA 64 CO 0.66 0.48 -0.42 0.38 0.00 0.00 0.00 179.25 180.35 3knu h ASP 65 N 0.74 0.64 0.17 0.00 2.03 -1.97 0.38 116.42 118.42 3knu h ASP 65 Ca 0.17 -0.58 -0.01 0.00 -0.73 0.00 0.00 57.03 55.88 3knu h ASP 65 Cb 0.19 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 3knu h ASP 65 CO -0.01 1.11 -0.08 0.58 -1.03 0.00 0.00 179.24 179.81 3knu h VAL 66 N 0.21 0.87 -0.93 4.15 2.07 -1.82 -1.82 116.25 118.98 3knu h VAL 66 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3knu h VAL 66 Cb 1.04 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3knu h VAL 66 CO 0.09 0.04 0.54 -0.07 0.02 0.00 0.00 177.57 178.19 3knu h LEU 67 N -0.32 1.13 -0.70 2.57 3.38 -1.27 -2.45 115.31 117.66 3knu h LEU 67 Ca -0.02 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3knu h LEU 67 Cb 0.25 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3knu h LEU 67 CO 0.04 0.89 0.43 1.23 0.09 0.00 0.00 178.44 181.12 3knu h GLY 68 N 1.29 1.02 0.96 0.83 0.00 -0.14 0.23 103.07 107.25 3knu h GLY 68 Ca 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3knu h GLY 68 CO -0.06 0.25 0.19 3.21 0.00 0.00 0.00 176.54 180.14 3knu h ARG 69 N 0.83 0.61 0.03 4.80 3.08 -1.00 0.75 114.38 123.48 3knu h ARG 69 Ca 0.29 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3knu h ARG 69 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3knu h ARG 69 CO -0.13 0.54 -0.02 0.00 -1.07 0.00 0.00 179.97 179.29 3knu h ILE 71 N -0.09 1.26 -0.42 0.00 2.04 -0.87 -1.70 117.51 117.73 3knu h ILE 71 Ca -0.00 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3knu h ILE 71 Cb 0.08 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3knu h ILE 71 CO 0.01 0.36 0.15 0.44 0.00 0.00 0.00 178.15 179.10 3knu h ASP 72 N 0.68 0.54 -0.36 1.72 3.32 -0.84 -0.05 116.42 121.44 3knu h ASP 72 Ca 0.14 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3knu h ASP 72 Cb 0.47 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3knu h ASP 72 CO 0.02 0.51 0.08 -0.08 -1.72 0.00 0.00 179.24 178.05 3knu h GLU 73 N 0.59 0.58 -0.58 3.56 4.57 -0.90 -0.54 114.58 121.86 3knu h GLU 73 Ca 0.14 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3knu h GLU 73 Cb 0.15 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 3knu h GLU 73 CO -0.01 0.62 0.32 0.28 -1.18 0.00 0.00 179.01 179.05 3knu h VAL 74 N 0.43 1.00 -0.46 0.32 2.07 -0.67 -2.65 116.25 116.30 3knu h VAL 74 Ca 0.11 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 3knu h VAL 74 Cb 0.31 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3knu h VAL 74 CO 0.00 0.11 -0.21 -0.07 0.02 0.00 0.00 177.57 177.43 3knu h LEU 75 N 0.63 0.94 -2.17 2.57 3.38 -0.84 0.46 115.31 120.27 3knu h LEU 75 Ca 0.25 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3knu h LEU 75 Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3knu h LEU 75 CO -0.14 1.11 0.01 0.77 0.09 0.00 0.00 178.44 180.28 3knu h SER 76 N 0.80 0.00 0.20 -0.43 4.64 -0.95 -2.12 113.55 115.68 3knu h SER 76 Ca 0.11 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.08 3knu h SER 76 Cb 0.76 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3knu h SER 76 CO 0.06 0.00 -1.96 0.18 -0.87 0.00 0.00 176.83 174.24 3knu n LEU 77 N -4.28 2.25 -3.49 5.97 4.77 -0.63 -4.65 117.00 116.95 3knu n LEU 77 Ca -0.03 0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 55.93 3knu n LEU 77 Cb 0.10 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 3knu n LEU 77 CO 0.32 0.76 -0.16 1.41 -1.33 0.00 0.00 177.39 178.38 3knu n HIS 78 N -3.37 1.16 -0.06 -1.77 8.25 0.15 -5.01 115.22 114.58 3knu n HIS 78 Ca -0.29 -3.79 0.19 0.00 -0.26 0.00 0.00 57.72 53.57 3knu n HIS 78 Cb 1.05 -0.26 0.64 0.00 1.12 0.00 0.00 29.99 32.53 3knu n HIS 78 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3knu h PRO 79 N 4.92 0.12 -0.52 -0.41 0.11 -1.63 -1.48 132.00 133.11 3knu h PRO 79 Ca 0.18 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 3knu h PRO 79 Cb 0.81 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 3knu h PRO 79 CO 0.57 0.08 0.06 0.09 -0.21 0.00 0.00 178.00 178.59 3knu n ASN 80 N -4.40 4.92 -4.75 -2.05 3.02 -1.26 -5.00 115.26 105.73 3knu n ASN 80 Ca 0.12 -3.06 -0.35 0.00 -0.03 0.00 0.00 54.58 51.25 3knu n ASN 80 Cb 0.60 -0.66 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 3knu n ASN 80 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3knu s THR 81 N -2.87 2.62 -0.40 3.41 -1.32 -0.56 -4.86 115.64 111.67 3knu s THR 81 Ca 0.51 0.37 -0.21 0.00 -1.21 0.00 0.00 61.69 61.15 3knu s THR 81 Cb 0.40 -3.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.32 3knu s THR 81 CO 0.13 -0.10 0.64 -0.75 -2.21 0.00 0.00 174.62 172.33 3knu s LYS 82 N -3.47 3.49 -0.27 7.08 2.47 0.47 -4.93 119.74 124.59 3knu s LYS 82 Ca 0.76 -0.14 -0.23 0.00 -1.56 0.00 0.00 55.97 54.80 3knu s LYS 82 Cb -0.30 -3.88 -0.01 0.00 -1.46 0.00 0.00 37.83 32.19 3knu s LYS 82 CO 0.35 -0.87 0.74 -0.51 0.16 0.00 0.00 175.35 175.23 3knu s LEU 83 N 2.78 4.08 0.29 5.43 1.43 -1.26 -0.51 118.68 130.92 3knu s LEU 83 Ca 0.24 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.23 3knu s LEU 83 Cb -0.14 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 42.99 3knu s LEU 83 CO 0.17 -0.49 -0.11 -0.04 0.23 0.00 0.00 176.35 176.10 3knu s MET 84 N 2.75 1.62 -0.08 1.70 -1.94 0.14 -1.75 119.30 121.74 3knu s MET 84 Ca 0.31 -1.80 -0.03 0.00 -1.71 0.00 0.00 55.69 52.46 3knu s MET 84 Cb -0.15 -1.44 0.04 0.00 2.01 0.00 0.00 34.83 35.29 3knu s MET 84 CO 0.09 0.15 0.16 0.12 -0.01 0.00 0.00 175.02 175.54 3knu s PHE 85 N -2.78 -0.20 -0.22 -0.03 5.36 -0.57 -1.04 117.98 118.51 3knu s PHE 85 Ca 0.29 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 56.56 3knu s PHE 85 Cb 0.01 -0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 3knu s PHE 85 CO 0.13 -0.23 1.34 0.95 -1.46 0.00 0.00 175.22 175.95 3knu s THR 86 N 1.73 4.12 0.19 0.12 -4.23 -1.00 -1.53 115.64 115.04 3knu s THR 86 Ca -0.03 1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 61.60 3knu s THR 86 Cb -0.12 -4.00 0.04 0.00 1.34 0.00 0.00 72.50 69.76 3knu s THR 86 CO -0.06 -0.29 0.55 -0.94 -0.54 0.00 0.00 174.62 173.34 3knu s SER 87 N 2.63 -0.34 0.39 3.99 1.04 -0.19 -4.42 113.70 116.80 3knu s SER 87 Ca 0.58 -0.35 0.19 0.00 0.48 0.00 0.00 55.95 56.85 3knu s SER 87 Cb -0.21 0.59 0.77 0.00 0.10 0.00 0.00 66.02 67.27 3knu s SER 87 CO 0.20 -1.04 1.79 1.55 0.98 0.00 0.00 173.24 176.72 3knu h PRO 88 N 2.15 0.00 -0.39 4.02 0.13 -1.93 -2.85 132.00 133.13 3knu h PRO 88 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3knu h PRO 88 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3knu h PRO 88 CO 0.37 0.35 0.00 0.54 -0.23 0.00 0.00 178.00 179.03 3knu n ARG 89 N -3.63 1.94 -1.50 0.86 3.00 -1.26 -4.84 116.66 111.22 3knu n ARG 89 Ca -0.01 -1.45 -0.30 0.00 -0.01 0.00 0.00 57.85 56.09 3knu n ARG 89 Cb 0.46 -1.33 0.19 0.00 0.00 0.00 0.00 32.46 31.79 3knu n ARG 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3knu s GLY 90 N -1.05 1.65 0.36 -0.13 0.00 -1.08 -4.93 107.32 102.13 3knu s GLY 90 Ca 0.28 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 43.81 3knu s GLY 90 CO 0.19 -0.16 1.47 -0.62 0.00 0.00 0.00 173.10 173.98 3knu n VAL 91 N -4.13 1.91 -1.85 1.40 0.31 -0.47 -4.26 118.33 111.24 3knu n VAL 91 Ca 0.12 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.55 3knu n VAL 91 Cb 0.59 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 3knu n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3knu s SER 92 N -0.10 6.44 0.13 4.52 0.01 -1.26 0.37 113.70 123.80 3knu s SER 92 Ca 0.54 2.30 -0.30 0.00 1.31 0.00 0.00 55.95 59.80 3knu s SER 92 Cb -0.49 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.14 3knu s SER 92 CO 0.62 -1.11 1.25 0.12 0.41 0.00 0.00 173.24 174.53 3knu s PHE 93 N 4.73 3.38 0.20 2.43 5.36 0.18 -4.90 117.98 129.37 3knu s PHE 93 Ca 0.82 1.27 -0.05 0.00 -0.96 0.00 0.00 56.93 58.00 3knu s PHE 93 Cb -0.36 -3.49 -0.03 0.00 -0.34 0.00 0.00 43.02 38.80 3knu s PHE 93 CO 0.35 -1.53 0.24 0.95 -1.46 0.00 0.00 175.22 173.77 3knu s THR 94 N 0.57 0.02 0.42 0.12 -4.23 -1.26 -4.87 115.64 106.40 3knu s THR 94 Ca 0.58 -1.75 0.14 0.00 -1.18 0.00 0.00 61.69 59.47 3knu s THR 94 Cb -0.33 -2.30 0.34 0.00 1.34 0.00 0.00 72.50 71.55 3knu s THR 94 CO 0.33 -0.07 1.93 -0.61 -0.54 0.00 0.00 174.62 175.66 3knu h GLN 95 N 2.52 0.46 -0.03 3.99 5.75 -1.99 0.14 115.11 125.95 3knu h GLN 95 Ca -0.32 -0.03 -0.22 0.00 -0.15 0.00 0.00 58.65 57.93 3knu h GLN 95 Cb 1.24 -0.10 0.02 0.00 1.07 0.00 0.00 27.48 29.71 3knu h GLN 95 CO 0.48 0.30 -0.85 0.22 -2.65 0.00 0.00 178.83 176.33 3knu h ASP 96 N 0.47 0.80 -0.94 -0.69 1.82 -1.98 -1.55 116.42 114.35 3knu h ASP 96 Ca 0.35 -0.72 0.07 0.00 -0.39 0.00 0.00 57.03 56.34 3knu h ASP 96 Cb 0.71 -0.24 -0.07 0.00 0.68 0.00 0.00 39.33 40.41 3knu h ASP 96 CO -0.12 1.41 0.60 0.40 -1.61 0.00 0.00 179.24 179.92 3knu h ILE 97 N 0.27 1.05 -0.54 2.25 1.08 -1.71 -1.49 117.51 118.42 3knu h ILE 97 Ca -0.10 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 3knu h ILE 97 Cb 1.51 -0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 3knu h ILE 97 CO 0.17 0.20 0.27 0.00 -0.69 0.00 0.00 178.15 178.10 3knu h ALA 98 N 1.44 0.69 -0.41 1.87 0.00 -0.72 -1.26 119.26 120.88 3knu h ALA 98 Ca 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3knu h ALA 98 Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3knu h ALA 98 CO -0.18 -0.07 0.23 0.00 0.00 0.00 0.00 179.25 179.22 3knu h ARG 99 N 0.52 0.58 -0.85 0.00 3.08 -0.79 -1.75 114.38 115.17 3knu h ARG 99 Ca 0.24 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3knu h ARG 99 Cb 0.15 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3knu h ARG 99 CO -0.17 0.46 0.56 1.96 -1.07 0.00 0.00 179.97 181.71 3knu h GLN 100 N 0.54 0.97 -0.45 0.04 4.20 -0.98 -0.97 115.11 118.46 3knu h GLN 100 Ca 0.15 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3knu h GLN 100 Cb 0.05 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3knu h GLN 100 CO -0.02 0.64 0.19 1.15 -0.67 0.00 0.00 178.83 180.12 3knu h THR 101 N 1.00 1.16 0.00 -0.54 2.02 -0.83 -2.57 112.91 113.16 3knu h THR 101 Ca 0.35 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3knu h THR 101 Cb 0.12 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3knu h THR 101 CO -0.12 0.20 0.00 0.23 0.37 0.00 0.00 175.52 176.20 3knu n MET 102 N -4.38 0.08 0.07 6.66 2.81 -0.37 -1.43 117.12 120.56 3knu n MET 102 Ca 0.03 0.54 0.11 0.00 -1.81 0.00 0.00 57.70 56.58 3knu n MET 102 Cb 0.14 -1.73 0.44 0.00 -0.71 0.00 0.00 33.22 31.36 3knu n MET 102 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3knu n ASN 103 N -1.89 0.43 -4.64 7.83 3.02 -0.97 -4.68 115.26 114.36 3knu n ASN 103 Ca -0.00 0.58 -0.35 0.00 -0.03 0.00 0.00 54.58 54.78 3knu n ASN 103 Cb 0.04 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.43 3knu n ASN 103 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3knu s PHE 104 N -3.15 3.14 -2.50 3.10 0.08 -0.52 -5.01 117.98 113.11 3knu s PHE 104 Ca 0.07 0.09 0.24 0.00 0.12 0.00 0.00 56.93 57.45 3knu s PHE 104 Cb 0.11 -1.84 0.68 0.00 -0.57 0.00 0.00 43.02 41.40 3knu s PHE 104 CO 0.41 0.35 1.53 -0.40 -0.10 0.00 0.00 175.22 177.01 3knu n ASP 105 N 2.52 2.18 -3.41 1.36 3.85 -1.26 -4.81 116.55 116.98 3knu n ASP 105 Ca -0.18 -1.75 -0.13 0.00 -0.71 0.00 0.00 54.79 52.01 3knu n ASP 105 Cb 0.53 -0.08 -0.10 0.00 -1.35 0.00 0.00 41.12 40.12 3knu n ASP 105 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 3knu s ASN 106 N -1.75 0.84 -0.04 -1.12 3.84 -1.26 -1.08 114.94 114.37 3knu s ASN 106 Ca 0.34 -0.08 0.06 0.00 0.21 0.00 0.00 52.86 53.39 3knu s ASN 106 Cb 0.20 0.77 -0.02 0.00 -0.55 0.00 0.00 41.25 41.65 3knu s ASN 106 CO 0.30 -0.32 -0.21 -0.63 -2.79 0.00 0.00 177.10 173.45 3knu s ILE 107 N 2.44 2.51 -0.12 -5.21 -1.09 -0.05 -0.40 121.20 119.29 3knu s ILE 107 Ca 0.10 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 3knu s ILE 107 Cb -0.15 -1.93 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 3knu s ILE 107 CO -0.17 0.58 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.03 3knu s THR 108 N -0.60 1.87 -0.34 2.92 2.01 0.33 -0.67 115.64 121.16 3knu s THR 108 Ca 0.09 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 3knu s THR 108 Cb -0.11 -1.66 0.08 0.00 0.01 0.00 0.00 72.50 70.82 3knu s THR 108 CO 0.00 0.51 0.08 -0.76 -0.69 0.00 0.00 174.62 173.77 3knu s LEU 109 N 0.78 4.49 -0.12 4.42 1.43 0.78 0.24 118.68 130.70 3knu s LEU 109 Ca -0.09 -1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 51.10 3knu s LEU 109 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3knu s LEU 109 CO 0.00 -0.38 0.93 -0.22 0.23 0.00 0.00 176.35 176.91 3knu s LEU 110 N 1.18 4.23 -0.30 1.79 2.96 -0.20 -1.11 118.68 127.23 3knu s LEU 110 Ca 0.01 1.39 -0.11 0.00 -0.22 0.00 0.00 54.13 55.21 3knu s LEU 110 Cb -0.21 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3knu s LEU 110 CO -0.03 -0.41 0.18 0.00 -1.32 0.00 0.00 176.35 174.77 3knu s GLY 112 N 1.70 2.39 0.26 0.00 0.00 -1.26 -4.70 107.32 105.72 3knu s GLY 112 Ca 0.06 0.53 0.06 0.00 0.00 0.00 0.00 44.72 45.36 3knu s GLY 112 CO 0.09 0.84 0.20 0.54 0.00 0.00 0.00 173.10 174.77 3knu n ARG 113 N -1.22 0.37 0.00 2.90 5.12 -1.26 -0.38 116.66 122.19 3knu n ARG 113 Ca 0.09 -2.58 0.00 0.00 -1.93 0.00 0.00 57.85 53.43 3knu n ARG 113 Cb 0.53 2.00 0.00 0.00 -1.16 0.00 0.00 32.46 33.83 3knu n ARG 113 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3knu n PHE 114 N -0.52 0.00 1.52 -1.55 3.72 -1.26 -1.48 117.46 117.89 3knu n PHE 114 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 3knu n PHE 114 Cb 0.47 0.02 0.44 0.00 -0.94 0.00 0.00 39.48 39.46 3knu n PHE 114 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3knu n GLU 115 N 14.00 1.45 0.00 -1.08 -0.58 0.20 -4.96 120.64 129.67 3knu n GLU 115 Ca 0.00 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 3knu n GLU 115 Cb 0.00 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3knu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knu n GLY 116 N 1.00 0.40 3.31 0.62 0.00 -0.55 -4.99 105.19 104.99 3knu n GLY 116 Ca 0.15 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 3knu n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3knu s ILE 117 N -0.16 1.64 0.16 -0.61 -4.36 -1.26 -1.45 121.20 115.16 3knu s ILE 117 Ca 0.00 -2.02 -0.31 0.00 -0.26 0.00 0.00 60.65 58.05 3knu s ILE 117 Cb 0.00 -1.87 -0.11 0.00 1.25 0.00 0.00 42.46 41.73 3knu s ILE 117 CO 0.00 -0.50 1.78 -0.62 0.24 0.00 0.00 174.94 175.84 3knu s ASP 118 N -2.96 6.41 0.55 4.36 2.15 -0.96 -4.88 116.67 121.35 3knu s ASP 118 Ca 0.18 2.80 0.30 0.00 0.43 0.00 0.00 52.55 56.25 3knu s ASP 118 Cb -0.03 -2.58 1.58 0.00 -0.30 0.00 0.00 42.92 41.59 3knu s ASP 118 CO 0.06 -0.99 2.11 -0.08 -0.17 0.00 0.00 175.17 176.11 3knu h GLU 119 N 7.82 0.00 0.00 4.34 4.57 -1.99 -1.66 114.58 127.67 3knu h GLU 119 Ca -0.45 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3knu h GLU 119 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3knu h GLU 119 CO 0.95 0.09 -0.00 0.00 -1.18 0.00 0.00 179.01 178.86 3knu h ARG 120 N 0.00 0.00 -0.44 1.92 3.08 -1.99 -1.57 114.38 115.38 3knu h ARG 120 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3knu h ARG 120 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3knu h ARG 120 CO 0.01 0.00 -0.08 0.28 -1.07 0.00 0.00 179.97 179.12 3knu h VAL 121 N 0.00 1.27 -0.12 2.04 2.07 -1.67 0.29 116.25 120.12 3knu h VAL 121 Ca -0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3knu h VAL 121 Cb 0.01 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3knu h VAL 121 CO 0.00 0.40 0.08 0.58 0.02 0.00 0.00 177.57 178.64 3knu h VAL 122 N 0.65 1.02 0.02 2.57 2.07 -1.43 -2.65 116.25 118.51 3knu h VAL 122 Ca 0.11 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.39 3knu h VAL 122 Cb 0.60 0.85 0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3knu h VAL 122 CO 0.04 0.03 -0.74 0.44 0.02 0.00 0.00 177.57 177.35 3knu h ASP 123 N 0.16 0.61 -0.22 0.57 3.32 -1.25 -0.78 116.42 118.82 3knu h ASP 123 Ca 0.05 -0.78 0.01 0.00 0.02 0.00 0.00 57.03 56.33 3knu h ASP 123 Cb -0.01 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3knu h ASP 123 CO -0.02 1.32 0.10 0.15 -1.72 0.00 0.00 179.24 179.08 3knu h PHE 124 N -0.03 0.19 -0.01 4.55 3.57 -0.47 -2.86 116.94 121.87 3knu h PHE 124 Ca -0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3knu h PHE 124 Cb 1.45 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.14 3knu h PHE 124 CO 0.14 0.11 -0.16 0.66 -2.23 0.00 0.00 178.31 176.83 3knu n TYR 125 N -5.00 0.00 -3.69 0.41 4.01 -1.00 -4.96 117.16 106.92 3knu n TYR 125 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 3knu n TYR 125 Cb 0.06 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3knu n TYR 125 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3knu n LYS 126 N -0.08 -5.01 -1.96 -0.72 5.02 -0.40 -4.89 118.16 110.13 3knu n LYS 126 Ca 0.14 0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 56.66 3knu n LYS 126 Cb 0.39 -5.22 -0.02 0.00 -0.02 0.00 0.00 35.03 30.17 3knu n LYS 126 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3knu s LEU 127 N -6.67 4.37 -0.33 -0.35 1.43 -0.59 -4.94 118.68 111.60 3knu s LEU 127 Ca 0.01 2.82 -0.24 0.00 -1.03 0.00 0.00 54.13 55.69 3knu s LEU 127 Cb -0.01 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.57 3knu s LEU 127 CO 0.81 -0.72 0.84 -1.58 0.23 0.00 0.00 176.35 175.92 3knu s GLN 128 N -1.33 3.92 0.06 1.70 0.74 -0.72 -4.90 119.66 119.13 3knu s GLN 128 Ca 0.55 0.59 -0.28 0.00 0.05 0.00 0.00 55.36 56.27 3knu s GLN 128 Cb -0.43 -3.75 -0.05 0.00 1.10 0.00 0.00 33.01 29.87 3knu s GLN 128 CO 0.53 -0.77 0.89 -1.21 -0.55 0.00 0.00 175.29 174.17 3knu s GLU 129 N 3.12 4.60 -0.04 1.67 2.02 -1.26 -1.50 118.70 127.30 3knu s GLU 129 Ca 0.34 1.29 0.03 0.00 0.02 0.00 0.00 54.97 56.65 3knu s GLU 129 Cb -0.13 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.71 3knu s GLU 129 CO 0.14 0.19 -0.12 0.08 0.02 0.00 0.00 175.26 175.57 3knu s VAL 130 N 0.18 1.06 -0.12 2.63 1.01 -0.58 -1.37 120.40 123.20 3knu s VAL 130 Ca 0.44 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3knu s VAL 130 Cb -0.22 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3knu s VAL 130 CO 0.27 0.32 -0.13 -0.55 0.00 0.00 0.00 175.10 175.01 3knu s SER 131 N 0.31 4.04 0.00 3.32 0.15 0.16 -1.03 113.70 120.65 3knu s SER 131 Ca -0.07 -0.30 0.28 0.00 0.70 0.00 0.00 55.95 56.56 3knu s SER 131 Cb -0.12 -1.53 1.18 0.00 -1.71 0.00 0.00 66.02 63.84 3knu s SER 131 CO 0.02 0.19 1.83 2.30 1.20 0.00 0.00 173.24 178.78 3knu n ILE 132 N 3.38 0.00 0.00 6.45 -5.35 -1.26 0.49 119.36 123.07 3knu n ILE 132 Ca -0.18 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3knu n ILE 132 Cb 0.53 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 3knu n ILE 132 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knu n GLY 133 N 1.30 1.19 2.84 3.28 0.00 -1.26 -4.75 105.19 107.79 3knu n GLY 133 Ca 0.14 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3knu n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3knu n ASP 134 N 0.00 5.22 -3.67 1.61 2.03 -1.26 -4.88 116.55 115.60 3knu n ASP 134 Ca 0.00 -3.12 -0.15 0.00 0.52 0.00 0.00 54.79 52.05 3knu n ASP 134 Cb 0.00 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 38.85 3knu n ASP 134 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3knu s TYR 135 N 0.29 -0.38 -0.32 -0.67 -0.85 -1.26 -5.14 117.35 109.02 3knu s TYR 135 Ca 0.40 0.65 -0.16 0.00 -0.52 0.00 0.00 57.07 57.44 3knu s TYR 135 Cb 0.10 0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.64 3knu s TYR 135 CO 0.00 -0.46 0.44 0.08 -1.52 0.00 0.00 175.55 174.09 3knu s VAL 136 N -1.15 5.10 0.38 -3.49 1.01 -1.26 -4.99 120.40 116.00 3knu s VAL 136 Ca -0.12 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3knu s VAL 136 Cb -0.03 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3knu s VAL 136 CO 0.06 -0.06 0.55 -0.76 0.00 0.00 0.00 175.10 174.89 3knu s LEU 137 N 2.20 3.84 0.56 3.92 1.43 -1.26 -5.03 118.68 124.35 3knu s LEU 137 Ca 0.16 -0.01 0.34 0.00 -1.03 0.00 0.00 54.13 53.59 3knu s LEU 137 Cb -0.16 -2.90 1.47 0.00 0.03 0.00 0.00 46.19 44.63 3knu s LEU 137 CO 0.12 -0.54 2.02 0.28 0.23 0.00 0.00 176.35 178.45 3knu h SER 138 N 0.70 0.00 -5.79 2.29 0.02 -1.98 -3.47 113.55 105.32 3knu h SER 138 Ca -0.46 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 60.82 3knu h SER 138 Cb 1.26 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 3knu h SER 138 CO 0.54 0.01 0.87 -0.83 -1.14 0.00 0.00 176.83 176.28 3knu s GLY 139 N -4.18 -0.09 0.00 -3.77 0.00 -1.26 -4.59 107.32 93.43 3knu s GLY 139 Ca 0.00 -0.02 0.30 0.00 0.00 0.00 0.00 44.72 45.00 3knu s GLY 139 CO 0.53 5.39 2.00 0.61 0.00 0.00 0.00 173.10 181.63 3knu n GLY 140 N -0.89 -1.36 0.11 0.20 0.00 0.49 -4.36 105.19 99.38 3knu n GLY 140 Ca 0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3knu n GLY 140 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3knu h GLU 141 N 0.01 -0.09 -0.78 1.61 3.07 -1.90 -0.02 114.58 116.47 3knu h GLU 141 Ca 0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3knu h GLU 141 Cb 0.37 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 3knu h GLU 141 CO 0.00 -0.06 0.41 -0.07 -1.40 0.00 0.00 179.01 177.89 3knu h LEU 142 N -0.10 0.98 -0.18 1.33 3.38 -2.00 -0.11 115.31 118.61 3knu h LEU 142 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3knu h LEU 142 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3knu h LEU 142 CO -0.10 0.80 0.11 0.00 0.09 0.00 0.00 178.44 179.35 3knu h ALA 143 N 1.36 0.23 -0.72 1.53 0.00 -1.74 -0.16 119.26 119.77 3knu h ALA 143 Ca 0.27 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3knu h ALA 143 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3knu h ALA 143 CO -0.04 -0.27 0.39 0.00 0.00 0.00 0.00 179.25 179.32 3knu h ALA 144 N 1.04 0.98 -0.58 0.00 0.00 -0.43 -1.32 119.26 118.96 3knu h ALA 144 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3knu h ALA 144 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3knu h ALA 144 CO -0.01 0.03 0.33 0.52 0.00 0.00 0.00 179.25 180.12 3knu h MET 145 N 0.69 0.79 -0.40 0.00 2.07 -0.69 -0.12 114.93 117.27 3knu h MET 145 Ca 0.34 -0.08 0.04 0.00 -2.07 0.00 0.00 59.70 57.93 3knu h MET 145 Cb 0.28 -0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 29.81 3knu h MET 145 CO -0.22 0.59 0.17 0.28 1.07 0.00 0.00 176.91 178.79 3knu h VAL 146 N 0.78 0.92 -0.43 -2.22 2.07 -0.66 -0.54 116.25 116.17 3knu h VAL 146 Ca 0.21 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3knu h VAL 146 Cb 0.01 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3knu h VAL 146 CO -0.04 0.06 0.08 0.40 0.02 0.00 0.00 177.57 178.10 3knu h ILE 147 N 0.34 1.24 -0.20 4.57 2.04 -0.84 -1.98 117.51 122.69 3knu h ILE 147 Ca 0.18 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3knu h ILE 147 Cb 0.13 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3knu h ILE 147 CO -0.16 0.30 -0.05 0.40 0.00 0.00 0.00 178.15 178.64 3knu h ILE 148 N 0.56 1.29 -0.13 -0.67 2.04 -0.83 -1.15 117.51 118.62 3knu h ILE 148 Ca 0.13 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3knu h ILE 148 Cb 0.36 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3knu h ILE 148 CO 0.01 0.31 -0.08 -0.78 0.00 0.00 0.00 178.15 177.61 3knu h ASP 149 N 0.10 -0.26 -0.29 1.72 3.58 -1.07 0.26 116.42 120.46 3knu h ASP 149 Ca 0.05 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.61 3knu h ASP 149 Cb 0.50 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 3knu h ASP 149 CO 0.02 -0.11 -0.04 0.74 -2.88 0.00 0.00 179.24 176.97 3knu h THR 150 N -0.08 0.75 -0.19 2.25 2.02 -1.21 -2.13 112.91 114.33 3knu h THR 150 Ca 0.08 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3knu h THR 150 Cb 0.19 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3knu h THR 150 CO -0.18 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.60 3knu h VAL 152 N 0.09 1.21 -0.09 0.00 2.07 -0.32 0.06 116.25 119.28 3knu h VAL 152 Ca 0.04 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3knu h VAL 152 Cb 0.63 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3knu h VAL 152 CO 0.03 0.29 0.23 0.03 0.02 0.00 0.00 177.57 178.18 3knu h ARG 153 N 0.37 0.00 -0.02 1.57 3.08 -1.44 -0.93 114.38 117.01 3knu h ARG 153 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3knu h ARG 153 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3knu h ARG 153 CO 0.02 0.00 -0.13 -1.33 -1.07 0.00 0.00 179.97 177.46 3knu n MET 154 N -3.27 1.96 -2.31 0.04 2.81 0.00 -4.45 117.12 111.90 3knu n MET 154 Ca -0.00 -1.59 -0.42 0.00 -1.81 0.00 0.00 57.70 53.88 3knu n MET 154 Cb 0.31 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 3knu n MET 154 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3knu s VAL 155 N -2.14 3.72 0.10 2.03 1.01 -0.35 -4.95 120.40 119.83 3knu s VAL 155 Ca 0.26 1.23 -0.34 0.00 0.00 0.00 0.00 61.98 63.13 3knu s VAL 155 Cb 0.20 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 3knu s VAL 155 CO 0.38 0.09 1.60 -2.65 0.00 0.00 0.00 175.10 174.52 3knu n PRO 156 N 3.97 2.01 0.00 2.72 -0.02 -1.26 -1.82 135.00 140.60 3knu n PRO 156 Ca 0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3knu n PRO 156 Cb 0.45 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3knu n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knu n GLY 157 N 3.47 1.68 0.07 -1.23 0.00 -1.26 -4.94 105.19 102.98 3knu n GLY 157 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3knu n GLY 157 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3knu h VAL 158 N 0.00 1.40 -0.71 1.61 2.07 -1.66 -3.49 116.25 115.47 3knu h VAL 158 Ca 0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3knu h VAL 158 Cb 0.00 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3knu h VAL 158 CO 0.00 0.36 0.00 -0.38 0.02 0.00 0.00 177.57 177.57 3knu n ILE 159 N -4.81 0.00 0.00 4.57 2.08 -1.26 -4.86 119.36 115.08 3knu n ILE 159 Ca -0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.22 3knu n ILE 159 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.20 3knu n ILE 159 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3knu n GLU 175 N 0.00 0.00 -3.81 0.38 4.71 -1.26 -5.08 120.64 115.58 3knu n GLU 175 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.89 3knu n GLU 175 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 3knu n GLU 175 CO 0.00 0.00 0.00 1.52 0.09 0.00 0.00 177.13 178.74 3knu s TYR 176 N 0.00 3.48 0.54 -0.32 1.13 -1.26 -4.61 117.35 116.31 3knu s TYR 176 Ca 0.00 0.21 -0.21 0.00 -1.41 0.00 0.00 57.07 55.66 3knu s TYR 176 Cb 0.00 -1.75 -0.05 0.00 -1.10 0.00 0.00 41.96 39.06 3knu s TYR 176 CO 0.00 0.43 1.24 -1.25 -2.51 0.00 0.00 175.55 173.46 3knu s PRO 177 N -3.40 3.23 0.24 -3.49 0.04 -1.26 -5.05 135.00 125.31 3knu s PRO 177 Ca 0.36 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.43 3knu s PRO 177 Cb -0.11 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3knu s PRO 177 CO 0.29 -1.03 -0.17 -0.65 0.04 0.00 0.00 177.00 175.49 3knu s GLN 178 N -3.04 1.49 0.01 4.56 -0.21 -1.26 -5.07 119.66 116.14 3knu s GLN 178 Ca 0.72 -1.68 -0.11 0.00 0.02 0.00 0.00 55.36 54.31 3knu s GLN 178 Cb -0.33 -1.41 0.01 0.00 1.00 0.00 0.00 33.01 32.29 3knu s GLN 178 CO 0.38 0.24 0.24 0.71 -2.12 0.00 0.00 175.29 174.74 3knu s TYR 179 N -2.77 -0.05 0.32 0.91 1.51 -1.26 -5.16 117.35 110.86 3knu s TYR 179 Ca 0.26 -0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 3knu s TYR 179 Cb -0.02 0.03 -0.00 0.00 -0.11 0.00 0.00 41.96 41.85 3knu s TYR 179 CO 0.11 -0.39 0.44 -0.08 -1.11 0.00 0.00 175.55 174.51 3knu s THR 180 N -1.86 0.00 0.67 -0.71 -1.32 -1.26 -5.15 115.64 106.01 3knu s THR 180 Ca -0.10 -1.63 -0.17 0.00 -1.21 0.00 0.00 61.69 58.58 3knu s THR 180 Cb -0.04 -2.58 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 3knu s THR 180 CO 0.00 0.00 0.88 -2.11 -2.21 0.00 0.00 174.62 171.19 3knu n ARG 181 N -0.53 0.62 -2.37 7.08 0.00 -1.26 -4.64 116.66 115.55 3knu n ARG 181 Ca 0.01 0.26 -0.28 0.00 -0.00 0.00 0.00 57.85 57.85 3knu n ARG 181 Cb 0.62 -2.12 0.02 0.00 -0.00 0.00 0.00 32.46 30.98 3knu n ARG 181 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3knu s PRO 182 N -2.98 3.16 0.43 2.89 0.04 -1.26 -5.08 135.00 132.20 3knu s PRO 182 Ca 0.73 0.16 0.12 0.00 0.04 0.00 0.00 61.00 62.06 3knu s PRO 182 Cb -0.38 -2.26 0.94 0.00 0.04 0.00 0.00 34.50 32.84 3knu s PRO 182 CO 0.50 -0.57 1.98 0.00 0.04 0.00 0.00 177.00 178.95 3knu h ALA 183 N -0.11 1.65 -3.59 8.56 0.00 -1.94 -3.41 119.26 120.42 3knu h ALA 183 Ca -0.46 -0.16 -0.42 0.00 0.00 0.00 0.00 54.91 53.87 3knu h ALA 183 Cb 1.23 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.65 3knu h ALA 183 CO 0.61 0.26 -0.78 0.45 0.00 0.00 0.00 179.25 179.79 3knu s SER 184 N -6.95 1.10 -0.08 0.00 0.15 -1.26 -2.29 113.70 104.37 3knu s SER 184 Ca -0.05 -0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 3knu s SER 184 Cb 0.16 -0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.08 3knu s SER 184 CO 0.71 0.00 0.16 0.86 1.20 0.00 0.00 173.24 176.17 3knu s TRP 185 N 0.58 -0.18 -1.58 3.44 -0.00 -0.52 -4.83 118.94 115.85 3knu s TRP 185 Ca -0.09 0.58 -0.17 0.00 -0.00 0.00 0.00 56.10 56.42 3knu s TRP 185 Cb -0.12 -0.20 0.15 0.00 -0.00 0.00 0.00 33.47 33.29 3knu s TRP 185 CO 0.01 -0.24 0.70 1.63 -0.00 0.00 0.00 176.95 179.04 3knu n LYS 186 N 4.97 -3.02 -0.99 5.86 5.02 -1.26 -0.56 118.16 128.19 3knu n LYS 186 Ca -0.12 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3knu n LYS 186 Cb 0.50 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 3knu n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knu n GLY 187 N -1.29 0.55 3.54 0.72 0.00 -1.26 -5.01 105.19 102.44 3knu n GLY 187 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3knu n GLY 187 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knu s MET 188 N -0.17 3.79 -0.06 1.61 -1.94 0.28 -5.08 119.30 117.73 3knu s MET 188 Ca 0.00 -0.44 -0.01 0.00 -1.71 0.00 0.00 55.69 53.53 3knu s MET 188 Cb 0.00 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.70 3knu s MET 188 CO 0.00 0.17 0.01 -2.00 -0.01 0.00 0.00 175.02 173.19 3knu s GLU 189 N 0.60 2.94 0.27 2.03 2.56 -1.26 -1.44 118.70 124.41 3knu s GLU 189 Ca 0.01 -0.45 -0.30 0.00 0.00 0.00 0.00 54.97 54.23 3knu s GLU 189 Cb -0.14 -2.77 -0.10 0.00 2.00 0.00 0.00 34.13 33.12 3knu s GLU 189 CO 0.02 0.68 1.41 0.08 -0.56 0.00 0.00 175.26 176.89 3knu s VAL 190 N -0.94 2.67 -0.11 3.70 1.01 -0.97 -4.89 120.40 120.86 3knu s VAL 190 Ca 0.15 0.59 -0.39 0.00 0.00 0.00 0.00 61.98 62.33 3knu s VAL 190 Cb -0.11 -3.37 -0.16 0.00 0.00 0.00 0.00 36.38 32.73 3knu s VAL 190 CO 0.05 0.10 1.54 -2.65 0.00 0.00 0.00 175.10 174.14 3knu n PRO 191 N 1.94 1.10 0.06 2.72 -0.02 -1.26 -4.81 135.00 134.72 3knu n PRO 191 Ca 0.05 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 3knu n PRO 191 Cb 0.41 -2.06 0.48 0.00 -0.02 0.00 0.00 33.50 32.31 3knu n PRO 191 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3knu h GLU 192 N 5.87 0.40 -0.53 -0.52 4.81 -2.01 -2.07 114.58 120.53 3knu h GLU 192 Ca -0.47 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.86 3knu h GLU 192 Cb 1.33 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3knu h GLU 192 CO 0.87 0.27 0.37 -0.24 -0.73 0.00 0.00 179.01 179.55 3knu h VAL 193 N 0.42 0.82 0.00 0.32 3.04 -1.99 0.18 116.25 119.04 3knu h VAL 193 Ca 0.12 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 3knu h VAL 193 Cb -0.03 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 3knu h VAL 193 CO -0.03 0.03 0.00 -0.07 -1.01 0.00 0.00 177.57 176.50 3knu h LEU 194 N 0.18 0.00 -1.85 3.16 3.38 -1.73 -2.73 115.31 115.73 3knu h LEU 194 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3knu h LEU 194 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3knu h LEU 194 CO -0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.67 3knu n LEU 195 N -2.50 2.68 0.07 1.67 4.77 0.61 -4.47 117.00 119.82 3knu n LEU 195 Ca 0.01 -1.11 0.12 0.00 -0.03 0.00 0.00 56.01 55.00 3knu n LEU 195 Cb 0.19 -0.04 0.21 0.00 -2.33 0.00 0.00 43.42 41.44 3knu n LEU 195 CO 0.19 0.49 0.43 0.71 -1.33 0.00 0.00 177.39 177.89 3knu h THR 196 N 3.66 0.00 -0.58 -5.08 1.35 -1.44 -3.47 112.91 107.35 3knu h THR 196 Ca 0.00 -0.50 -0.25 0.00 -0.55 0.00 0.00 66.41 65.11 3knu h THR 196 Cb 0.80 1.15 -0.10 0.00 -1.73 0.00 0.00 68.15 68.27 3knu h THR 196 CO 0.00 0.00 -0.22 0.61 -0.25 0.00 0.00 175.52 175.66 3knu n GLY 197 N 1.33 1.25 3.42 5.82 0.00 -1.26 -4.95 105.19 110.80 3knu n GLY 197 Ca 0.04 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 3knu n GLY 197 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3knu s ASN 198 N -2.63 6.28 0.19 1.61 3.84 -1.26 -4.91 114.94 118.05 3knu s ASN 198 Ca 0.00 -1.38 -0.11 0.00 0.21 0.00 0.00 52.86 51.58 3knu s ASN 198 Cb 0.00 -2.37 0.11 0.00 -0.55 0.00 0.00 41.25 38.44 3knu s ASN 198 CO 0.00 -1.24 1.81 -0.74 -2.79 0.00 0.00 177.10 174.13 3knu h HIS 199 N 9.26 0.91 -0.57 0.43 -0.00 -1.95 -0.83 115.15 122.39 3knu h HIS 199 Ca -0.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.15 3knu h HIS 199 Cb 1.07 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.16 3knu h HIS 199 CO 0.96 0.64 0.33 0.78 -0.00 0.00 0.00 177.93 180.65 3knu h GLY 200 N 0.90 0.84 1.66 5.26 0.00 -1.99 -0.60 103.07 109.15 3knu h GLY 200 Ca 0.23 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 3knu h GLY 200 CO -0.04 0.36 -0.66 0.83 0.00 0.00 0.00 176.54 177.03 3knu h GLU 201 N 0.77 0.34 -0.46 4.80 4.39 -1.88 -1.46 114.58 121.08 3knu h GLU 201 Ca 0.20 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3knu h GLU 201 Cb 0.02 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3knu h GLU 201 CO -0.04 0.88 -0.04 0.82 -1.16 0.00 0.00 179.01 179.47 3knu h ILE 202 N 0.24 1.27 -0.27 3.13 2.04 -0.95 0.92 117.51 123.88 3knu h ILE 202 Ca -0.02 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 3knu h ILE 202 Cb 1.21 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3knu h ILE 202 CO 0.11 0.39 0.06 -0.33 0.00 0.00 0.00 178.15 178.38 3knu h GLU 203 N 0.68 0.43 -0.47 2.37 5.08 -1.03 -0.33 114.58 121.31 3knu h GLU 203 Ca 0.12 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3knu h GLU 203 Cb 0.56 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3knu h GLU 203 CO 0.03 0.53 0.19 -0.22 -1.00 0.00 0.00 179.01 178.54 3knu h LYS 204 N 0.26 0.38 -0.56 2.33 3.64 -1.17 -1.50 116.57 119.96 3knu h LYS 204 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3knu h LYS 204 Cb 0.29 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3knu h LYS 204 CO 0.00 0.25 0.27 2.35 -2.27 0.00 0.00 179.45 180.05 3knu h TRP 205 N 0.39 0.81 -0.64 1.91 7.01 -0.60 -2.20 115.95 122.64 3knu h TRP 205 Ca 0.22 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.10 3knu h TRP 205 Cb 0.19 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 3knu h TRP 205 CO -0.14 0.63 0.11 0.00 -2.79 0.00 0.00 178.44 176.25 3knu h ARG 206 N 0.76 1.05 -0.31 2.65 3.08 -0.84 -1.31 114.38 119.46 3knu h ARG 206 Ca 0.19 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3knu h ARG 206 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3knu h ARG 206 CO -0.02 0.96 0.06 0.00 -1.07 0.00 0.00 179.97 179.89 3knu h ARG 207 N 0.98 0.50 0.00 0.04 3.08 -1.13 -2.21 114.38 115.65 3knu h ARG 207 Ca 0.20 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3knu h ARG 207 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3knu h ARG 207 CO 0.01 0.59 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.31 3knu h ASN 208 N 0.33 0.00 1.74 7.04 2.35 -1.32 -2.64 115.58 123.09 3knu h ASN 208 Ca 0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3knu h ASN 208 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3knu h ASN 208 CO 0.00 0.28 -0.26 0.00 -1.65 0.00 0.00 177.43 175.81 3knu h ALA 209 N 1.72 0.85 0.00 -0.83 0.00 -1.18 -3.25 119.26 116.56 3knu h ALA 209 Ca -0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3knu h ALA 209 Cb 0.70 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3knu h ALA 209 CO 0.04 0.26 -0.76 1.03 0.00 0.00 0.00 179.25 179.82 3knu h SER 210 N 0.00 0.00 -0.03 0.00 0.87 -1.05 -3.44 113.55 109.90 3knu h SER 210 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3knu h SER 210 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3knu h SER 210 CO 0.03 0.76 0.00 0.18 -0.53 0.00 0.00 176.83 177.27