#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 4.45 -0.20 -1.46 -2.45 -1.21 -4.92 119.30 113.51 3knu s MET 1 Ca 0.00 0.95 -0.06 0.00 -1.25 0.00 0.00 55.69 55.32 3knu s MET 1 Cb 0.00 -3.45 -0.03 0.00 1.25 0.00 0.00 34.83 32.60 3knu s MET 1 CO 0.00 0.05 0.04 0.42 1.05 0.00 0.00 175.02 176.58 3knu s ILE 2 N 0.82 4.35 -0.15 10.11 1.01 -0.70 -1.07 121.20 135.58 3knu s ILE 2 Ca 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 3knu s ILE 2 Cb -0.18 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 3knu s ILE 2 CO 0.19 0.42 -0.12 -0.36 0.00 0.00 0.00 174.94 175.08 3knu s PHE 3 N 0.87 2.84 -0.25 3.97 0.08 -0.01 -1.49 117.98 123.98 3knu s PHE 3 Ca 0.02 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.30 3knu s PHE 3 Cb -0.14 -1.89 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 3knu s PHE 3 CO 0.02 -0.28 0.01 -0.80 -0.10 0.00 0.00 175.22 174.07 3knu s ASN 4 N 0.55 4.70 -0.17 1.36 0.01 0.62 -0.74 114.94 121.27 3knu s ASN 4 Ca -0.08 -0.51 -0.06 0.00 -0.71 0.00 0.00 52.86 51.50 3knu s ASN 4 Cb -0.15 -1.80 -0.04 0.00 0.41 0.00 0.00 41.25 39.66 3knu s ASN 4 CO 0.03 -0.09 0.03 -0.69 -1.51 0.00 0.00 177.10 174.88 3knu s VAL 5 N 1.49 4.49 -0.23 1.60 1.01 0.49 -0.14 120.40 129.11 3knu s VAL 5 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3knu s VAL 5 Cb -0.16 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3knu s VAL 5 CO -0.00 0.48 -0.04 -0.76 0.00 0.00 0.00 175.10 174.77 3knu s LEU 6 N 0.32 2.99 0.01 3.92 1.43 -0.44 -0.09 118.68 126.83 3knu s LEU 6 Ca 0.01 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 3knu s LEU 6 Cb -0.13 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.40 3knu s LEU 6 CO 0.01 -0.06 0.34 0.28 0.23 0.00 0.00 176.35 177.15 3knu s THR 7 N 1.44 0.06 -2.45 5.49 -1.32 -0.80 -1.32 115.64 116.74 3knu s THR 7 Ca 0.04 -0.53 0.27 0.00 -1.21 0.00 0.00 61.69 60.26 3knu s THR 7 Cb -0.15 -0.79 0.54 0.00 -1.51 0.00 0.00 72.50 70.58 3knu s THR 7 CO -0.04 -0.29 1.71 2.30 -2.21 0.00 0.00 174.62 176.09 3knu n ILE 8 N 0.91 0.04 -3.00 5.08 -5.35 -1.26 -1.06 119.36 114.71 3knu n ILE 8 Ca -0.20 -0.27 -0.26 0.00 -0.27 0.00 0.00 62.75 61.76 3knu n ILE 8 Cb 0.58 0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 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 0.19 3.41 0.19 4.28 3.72 -1.26 -4.91 117.46 123.09 3knu n PHE 9 Ca 0.18 -3.98 0.15 0.00 -0.05 0.00 0.00 57.45 53.75 3knu n PHE 9 Cb 0.35 -0.48 0.75 0.00 -0.94 0.00 0.00 39.48 39.16 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 3.04 0.00 0.00 -1.08 0.13 -1.91 -2.21 132.00 129.98 3knu h PRO 10 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3knu h PRO 10 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3knu h PRO 10 CO 0.77 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.98 3knu h GLN 11 N 0.00 0.00 0.00 0.86 -0.00 -1.97 -2.00 115.11 112.00 3knu h GLN 11 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3knu h GLN 11 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 3knu h GLN 11 CO -0.00 0.00 0.00 0.52 -0.00 0.00 0.00 178.83 179.35 3knu h MET 12 N 0.00 0.00 -6.18 0.06 2.86 -1.83 -3.45 114.93 106.39 3knu h MET 12 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 3knu h MET 12 Cb 0.22 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.78 3knu h MET 12 CO 0.00 0.00 -0.61 -0.06 1.06 0.00 0.00 176.91 177.30 3knu s PHE 13 N -3.48 3.15 0.16 -0.22 0.40 -0.75 -2.91 117.98 114.33 3knu s PHE 13 Ca 0.03 0.08 0.18 0.00 -0.60 0.00 0.00 56.93 56.63 3knu s PHE 13 Cb 0.08 -1.63 0.63 0.00 0.51 0.00 0.00 43.02 42.61 3knu s PHE 13 CO 0.54 0.51 1.71 -1.00 0.70 0.00 0.00 175.22 177.69 3knu h PRO 14 N 3.61 0.00 0.00 0.24 0.13 -1.87 -3.50 132.00 130.62 3knu h PRO 14 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3knu h PRO 14 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3knu h PRO 14 CO 0.63 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 3knu n GLY 15 N 0.28 3.68 0.33 1.56 0.00 -1.14 -1.33 105.19 108.56 3knu n GLY 15 Ca -0.00 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.37 132.00 132.09 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 -3.67 0.00 -1.43 2.35 4.77 -0.44 -3.29 117.00 115.29 3knu n LEU 17 Ca 0.00 0.33 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 3knu n LEU 17 Cb 0.27 -0.33 0.33 0.00 -2.33 0.00 0.00 43.42 41.36 3knu n LEU 17 CO 0.26 -0.05 0.79 0.61 -1.33 0.00 0.00 177.39 177.66 3knu n GLY 18 N 0.91 2.70 3.48 -0.72 0.00 0.12 -2.97 105.19 108.71 3knu n GLY 18 Ca 0.11 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.51 2.84 0.00 1.61 1.01 -1.21 -4.30 120.40 118.85 3knu s VAL 19 Ca 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3knu s VAL 19 Cb 0.29 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.42 3knu s VAL 19 CO 0.27 0.22 0.00 -0.24 0.00 0.00 0.00 175.10 175.35 3knu n SER 20 N 1.18 0.00 -0.32 3.32 2.88 -1.26 -1.93 113.62 117.49 3knu n SER 20 Ca -0.16 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.42 3knu n SER 20 Cb 0.52 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.17 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 8.22 0.81 -0.17 -3.46 4.21 -1.97 0.42 115.58 123.65 3knu h ASN 21 Ca 0.00 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 3knu h ASN 21 Cb 0.00 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 3knu h ASN 21 CO 0.00 0.47 0.10 -0.07 -1.29 0.00 0.00 177.43 176.64 3knu h LEU 22 N 0.92 0.20 -0.32 1.61 3.38 -1.81 0.11 115.31 119.39 3knu h LEU 22 Ca 0.42 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 3knu h LEU 22 Cb 0.34 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3knu h LEU 22 CO -0.23 0.18 0.19 1.23 0.09 0.00 0.00 178.44 179.90 3knu h GLY 23 N 0.20 0.48 1.62 0.83 0.00 -0.65 -0.90 103.07 104.65 3knu h GLY 23 Ca 0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 3knu h GLY 23 CO -0.01 0.20 -0.61 1.48 0.00 0.00 0.00 176.54 177.60 3knu h SER 24 N 0.41 0.45 -0.17 0.19 4.64 -0.81 -1.40 113.55 116.86 3knu h SER 24 Ca 0.12 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 3knu h SER 24 Cb 0.03 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3knu h SER 24 CO -0.02 0.95 -0.07 0.00 -0.87 0.00 0.00 176.83 176.82 3knu h ALA 25 N 1.06 1.32 -0.23 5.18 0.00 -0.65 -1.05 119.26 124.88 3knu h ALA 25 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3knu h ALA 25 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3knu h ALA 25 CO 0.10 0.46 0.04 1.25 0.00 0.00 0.00 179.25 181.11 3knu h LEU 26 N 0.46 0.35 -0.67 0.00 5.85 -0.83 0.11 115.31 120.58 3knu h LEU 26 Ca 0.09 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3knu h LEU 26 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3knu h LEU 26 CO 0.02 0.52 -0.20 0.11 -0.34 0.00 0.00 178.44 178.55 3knu h LYS 27 N 0.18 0.82 -0.00 1.25 6.56 -0.95 -2.32 116.57 122.11 3knu h LYS 27 Ca 0.07 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 3knu h LYS 27 Cb 0.31 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3knu h LYS 27 CO 0.00 0.95 -0.01 0.36 -2.06 0.00 0.00 179.45 178.69 3knu n LYS 28 N -4.12 1.13 -0.65 3.15 2.85 -0.43 -4.93 118.16 115.16 3knu n LYS 28 Ca 0.00 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 3knu n LYS 28 Cb 0.42 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 3knu n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3knu n GLY 29 N 1.09 0.61 0.21 2.58 0.00 -0.45 -4.94 105.19 104.28 3knu n GLY 29 Ca 0.21 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -8.43 0.99 3.38 -1.08 -3.44 115.31 106.73 3knu h LEU 30 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3knu h LEU 30 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3knu h LEU 30 CO 0.00 0.28 -0.41 -1.66 0.09 0.00 0.00 178.44 176.74 3knu s TRP 31 N -3.68 0.81 -0.02 1.13 1.48 -1.24 -3.29 118.94 114.13 3knu s TRP 31 Ca 0.00 -1.10 0.01 0.00 -1.06 0.00 0.00 56.10 53.96 3knu s TRP 31 Cb 0.11 -0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.18 3knu s TRP 31 CO 0.66 -0.78 -0.04 0.99 -4.06 0.00 0.00 176.95 173.71 3knu s THR 32 N -4.10 0.44 -0.27 0.66 2.01 -0.23 -4.57 115.64 109.58 3knu s THR 32 Ca 0.31 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3knu s THR 32 Cb 0.04 -0.42 0.07 0.00 0.01 0.00 0.00 72.50 72.19 3knu s THR 32 CO 0.10 0.16 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.92 3knu s LEU 33 N 0.38 3.37 -0.25 4.42 2.96 -1.26 -0.83 118.68 127.47 3knu s LEU 33 Ca -0.04 -1.47 -0.09 0.00 -0.22 0.00 0.00 54.13 52.31 3knu s LEU 33 Cb -0.08 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3knu s LEU 33 CO -0.00 -0.24 0.12 0.20 -1.32 0.00 0.00 176.35 175.10 3knu s ASN 34 N 1.17 5.58 -0.35 3.68 -0.87 0.08 -5.02 114.94 119.22 3knu s ASN 34 Ca -0.04 -0.08 -0.05 0.00 -1.57 0.00 0.00 52.86 51.13 3knu s ASN 34 Cb -0.19 -2.01 0.06 0.00 -0.02 0.00 0.00 41.25 39.08 3knu s ASN 34 CO -0.07 -0.01 0.10 -0.69 -2.57 0.00 0.00 177.10 173.87 3knu s VAL 35 N 1.46 3.50 -0.15 1.60 1.01 -1.26 -0.38 120.40 126.19 3knu s VAL 35 Ca 0.06 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 3knu s VAL 35 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3knu s VAL 35 CO 0.06 -0.27 0.55 -0.36 0.00 0.00 0.00 175.10 175.08 3knu s PHE 36 N 1.32 3.45 -0.52 5.22 0.08 0.88 -4.98 117.98 123.43 3knu s PHE 36 Ca -0.01 0.91 -0.24 0.00 0.12 0.00 0.00 56.93 57.71 3knu s PHE 36 Cb -0.20 -2.67 0.04 0.00 -0.57 0.00 0.00 43.02 39.61 3knu s PHE 36 CO 0.00 0.01 0.92 0.34 -0.10 0.00 0.00 175.22 176.39 3knu s ASP 37 N 0.92 6.38 0.41 1.36 -1.08 -1.26 -1.91 116.67 121.49 3knu s ASP 37 Ca 0.28 -0.24 0.15 0.00 -0.52 0.00 0.00 52.55 52.22 3knu s ASP 37 Cb -0.16 -2.43 1.01 0.00 -1.46 0.00 0.00 42.92 39.88 3knu s ASP 37 CO 0.11 -1.15 1.88 0.40 0.52 0.00 0.00 175.17 176.93 3knu h ILE 38 N 6.03 0.75 0.00 4.11 2.04 -1.46 -1.34 117.51 127.64 3knu h ILE 38 Ca -0.26 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3knu h ILE 38 Cb 1.08 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3knu h ILE 38 CO 1.06 0.09 -0.06 0.03 0.00 0.00 0.00 178.15 179.26 3knu h ARG 39 N 0.48 0.00 0.00 2.37 3.08 -1.91 -1.99 114.38 116.40 3knu h ARG 39 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3knu h ARG 39 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3knu h ARG 39 CO -0.16 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.80 3knu h ALA 40 N 1.94 1.00 -0.50 0.04 0.00 -1.64 -3.16 119.26 116.93 3knu h ALA 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3knu h ALA 40 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3knu h ALA 40 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 3knu n PHE 41 N -2.47 0.66 0.00 0.00 3.01 -0.75 -5.13 117.46 112.78 3knu n PHE 41 Ca 0.03 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.14 3knu n PHE 41 Cb 0.33 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 3knu n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knu n ALA 42 N 1.48 0.00 0.00 4.37 0.00 -1.20 -4.71 120.51 120.45 3knu n ALA 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3knu n ALA 42 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3knu n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knu n THR 48 N 0.00 0.00 0.04 0.00 -2.24 -1.26 -4.97 114.28 105.85 3knu n THR 48 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3knu n THR 48 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3knu n THR 48 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3knu n VAL 49 N 0.00 0.80 -4.34 2.28 0.24 -1.26 -4.96 118.33 111.09 3knu n VAL 49 Ca 0.00 -0.62 -0.24 0.00 -2.04 0.00 0.00 64.34 61.44 3knu n VAL 49 Cb 0.00 -0.45 -0.12 0.00 -1.47 0.00 0.00 33.84 31.80 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 -5.40 2.80 0.16 -1.34 -4.77 -1.26 -0.24 116.67 106.63 3knu s ASP 50 Ca -0.03 -0.80 -0.10 0.00 -3.30 0.00 0.00 52.55 48.32 3knu s ASP 50 Cb 0.10 -0.17 -0.00 0.00 -1.09 0.00 0.00 42.92 41.75 3knu s ASP 50 CO 0.82 0.04 0.30 -0.62 0.70 0.00 0.00 175.17 176.41 3knu s ASP 51 N -2.37 0.01 0.33 2.11 -1.08 -0.06 -4.86 116.67 110.75 3knu s ASP 51 Ca 0.13 -0.79 -0.28 0.00 -0.52 0.00 0.00 52.55 51.09 3knu s ASP 51 Cb -0.08 0.44 -0.09 0.00 -1.46 0.00 0.00 42.92 41.73 3knu s ASP 51 CO 0.06 -0.89 1.17 0.42 0.52 0.00 0.00 175.17 176.46 3knu s THR 52 N -3.94 3.20 0.28 1.71 -4.23 -1.26 -1.28 115.64 110.11 3knu s THR 52 Ca 0.15 1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 61.50 3knu s THR 52 Cb 0.03 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 70.07 3knu s THR 52 CO -0.02 0.22 1.25 -2.16 -0.54 0.00 0.00 174.62 173.37 3knu s PRO 53 N -1.80 4.44 0.35 3.99 0.04 -1.26 -4.92 135.00 135.84 3knu s PRO 53 Ca 0.49 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.31 3knu s PRO 53 Cb -0.33 -3.14 -0.12 0.00 0.04 0.00 0.00 34.50 30.95 3knu s PRO 53 CO 0.43 -0.09 1.37 0.66 0.04 0.00 0.00 177.00 179.40 3knu n TYR 54 N 1.39 2.51 -0.49 0.56 4.01 -1.26 -2.82 117.16 121.06 3knu n TYR 54 Ca 0.01 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 3knu n TYR 54 Cb 0.43 -2.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.00 3knu n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3knu n GLY 55 N 0.77 0.75 1.31 2.72 0.00 -1.26 -4.88 105.19 104.60 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 -2.12 -2.66 0.00 -0.02 0.00 -1.13 -5.13 105.19 94.14 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 -0.52 3.16 3.74 -0.02 0.00 -1.26 -4.75 105.19 105.54 3knu n GLY 57 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.78 1.70 0.75 1.61 0.04 -1.26 -4.77 135.00 129.29 3knu s PRO 58 Ca 0.00 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3knu s PRO 58 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3knu s PRO 58 CO 0.00 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.46 3knu n GLY 59 N -1.11 -1.87 3.62 0.56 0.00 -1.26 -4.87 105.19 100.25 3knu n GLY 59 Ca 0.08 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.80 1.97 -0.09 1.61 -1.94 -1.26 -4.32 119.30 114.46 3knu s MET 60 Ca 0.00 -2.17 -0.06 0.00 -1.71 0.00 0.00 55.69 51.75 3knu s MET 60 Cb 0.00 -1.34 0.04 0.00 2.01 0.00 0.00 34.83 35.53 3knu s MET 60 CO 0.00 -0.22 0.23 -1.17 -0.01 0.00 0.00 175.02 173.85 3knu s LEU 61 N -3.71 0.74 0.23 -0.03 2.96 -0.41 -0.77 118.68 117.69 3knu s LEU 61 Ca 0.25 0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 54.34 3knu s LEU 61 Cb 0.06 0.71 -0.10 0.00 0.50 0.00 0.00 46.19 47.37 3knu s LEU 61 CO 0.13 -0.13 1.39 -0.76 -1.32 0.00 0.00 176.35 175.66 3knu s LEU 62 N 0.79 4.40 0.30 -0.68 1.43 -0.59 -0.88 118.68 123.44 3knu s LEU 62 Ca -0.06 2.56 -0.28 0.00 -1.03 0.00 0.00 54.13 55.32 3knu s LEU 62 Cb -0.07 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 3knu s LEU 62 CO -0.05 -0.64 1.05 -0.13 0.23 0.00 0.00 176.35 176.82 3knu s ARG 63 N -0.25 4.59 0.26 1.70 0.52 0.67 -2.24 118.95 124.20 3knu s ARG 63 Ca 0.58 1.66 -0.02 0.00 -0.52 0.00 0.00 55.73 57.43 3knu s ARG 63 Cb -0.40 -3.06 0.42 0.00 0.52 0.00 0.00 34.95 32.42 3knu s ARG 63 CO 0.41 0.21 1.86 0.00 0.02 0.00 0.00 175.30 177.81 3knu h ALA 64 N 3.60 1.36 -0.33 2.13 0.00 -1.90 -1.68 119.26 122.45 3knu h ALA 64 Ca -0.47 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3knu h ALA 64 Cb 1.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3knu h ALA 64 CO 0.66 0.35 -0.34 0.38 0.00 0.00 0.00 179.25 180.30 3knu h ASP 65 N 1.08 0.86 -0.05 0.00 2.03 -1.97 0.25 116.42 118.63 3knu h ASP 65 Ca 0.43 -0.47 -0.01 0.00 -0.73 0.00 0.00 57.03 56.25 3knu h ASP 65 Cb 0.24 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.49 3knu h ASP 65 CO -0.19 1.16 0.01 0.58 -1.03 0.00 0.00 179.24 179.76 3knu h VAL 66 N 0.58 1.22 -0.71 4.15 2.07 -1.82 -2.16 116.25 119.59 3knu h VAL 66 Ca 0.05 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3knu h VAL 66 Cb 0.92 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3knu h VAL 66 CO 0.08 0.18 0.42 -0.07 0.02 0.00 0.00 177.57 178.21 3knu h LEU 67 N -0.18 0.86 -0.79 2.57 3.38 -1.19 -2.54 115.31 117.41 3knu h LEU 67 Ca 0.01 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3knu h LEU 67 Cb 0.29 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3knu h LEU 67 CO 0.00 0.67 0.48 1.23 0.09 0.00 0.00 178.44 180.91 3knu h GLY 68 N 0.97 1.18 1.02 0.83 0.00 -0.47 0.22 103.07 106.82 3knu h GLY 68 Ca 0.25 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3knu h GLY 68 CO -0.05 0.23 0.16 3.21 0.00 0.00 0.00 176.54 180.09 3knu h ARG 69 N 0.87 0.99 0.17 4.80 3.08 -1.02 0.17 114.38 123.45 3knu h ARG 69 Ca 0.35 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3knu h ARG 69 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3knu h ARG 69 CO -0.17 0.90 -0.08 0.00 -1.07 0.00 0.00 179.97 179.54 3knu h ILE 71 N -0.48 1.26 -0.69 0.00 2.04 -0.51 -1.10 117.51 118.03 3knu h ILE 71 Ca -0.02 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 3knu h ILE 71 Cb 0.37 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3knu h ILE 71 CO 0.04 0.30 0.25 0.44 0.00 0.00 0.00 178.15 179.18 3knu h ASP 72 N 1.19 0.96 -0.47 1.72 3.32 -0.65 0.25 116.42 122.74 3knu h ASP 72 Ca 0.29 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3knu h ASP 72 Cb 0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3knu h ASP 72 CO -0.04 0.87 0.23 -0.08 -1.72 0.00 0.00 179.24 178.50 3knu h GLU 73 N 1.01 0.68 -0.56 3.56 4.57 -0.71 0.18 114.58 123.31 3knu h GLU 73 Ca 0.23 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3knu h GLU 73 Cb 0.23 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3knu h GLU 73 CO -0.01 0.58 0.33 0.28 -1.18 0.00 0.00 179.01 179.01 3knu h VAL 74 N 0.62 1.17 -0.41 0.32 2.07 -0.52 -2.62 116.25 116.88 3knu h VAL 74 Ca 0.16 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3knu h VAL 74 Cb 0.12 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3knu h VAL 74 CO -0.02 0.17 0.13 -0.07 0.02 0.00 0.00 177.57 177.80 3knu h LEU 75 N 0.75 0.54 -1.44 2.57 3.38 -0.26 0.20 115.31 121.06 3knu h LEU 75 Ca 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3knu h LEU 75 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3knu h LEU 75 CO -0.04 0.52 -0.22 0.77 0.09 0.00 0.00 178.44 179.56 3knu h SER 76 N 0.59 0.00 0.28 -0.43 4.64 -0.59 -2.10 113.55 115.94 3knu h SER 76 Ca 0.14 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.12 3knu h SER 76 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3knu h SER 76 CO -0.01 0.22 -1.82 -0.07 -0.87 0.00 0.00 176.83 174.28 3knu h LEU 77 N 0.00 0.33 -6.62 5.97 3.38 -1.19 -3.42 115.31 113.75 3knu h LEU 77 Ca -0.00 -0.65 -0.60 0.00 0.09 0.00 0.00 57.88 56.72 3knu h LEU 77 Cb 0.59 -0.11 -0.39 0.00 0.09 0.00 0.00 40.66 40.84 3knu h LEU 77 CO 0.03 1.57 -0.83 -1.00 0.09 0.00 0.00 178.44 178.30 3knu s HIS 78 N -2.58 1.92 0.59 1.13 3.76 0.66 -4.99 115.29 115.78 3knu s HIS 78 Ca -0.15 -2.65 0.29 0.00 -0.15 0.00 0.00 55.06 52.40 3knu s HIS 78 Cb 0.07 -1.53 1.81 0.00 1.11 0.00 0.00 32.58 34.04 3knu s HIS 78 CO 0.81 -0.73 2.26 -1.35 -0.85 0.00 0.00 174.74 174.87 3knu h PRO 79 N 5.61 0.00 -0.52 8.40 0.11 -1.62 -2.29 132.00 141.70 3knu h PRO 79 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3knu h PRO 79 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3knu h PRO 79 CO 0.49 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 3knu n ASN 80 N -3.86 5.10 -4.76 -2.05 3.02 -1.26 -5.00 115.26 106.45 3knu n ASN 80 Ca -0.03 -2.84 -0.37 0.00 -0.03 0.00 0.00 54.58 51.31 3knu n ASN 80 Cb 0.08 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.64 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 -2.57 2.70 -0.44 3.41 -1.32 -0.86 -4.86 115.64 111.70 3knu s THR 81 Ca 0.51 0.49 -0.23 0.00 -1.21 0.00 0.00 61.69 61.25 3knu s THR 81 Cb 0.38 -3.23 0.02 0.00 -1.51 0.00 0.00 72.50 68.16 3knu s THR 81 CO 0.16 -0.04 0.79 -0.75 -2.21 0.00 0.00 174.62 172.57 3knu s LYS 82 N -2.99 3.44 -0.29 7.08 2.47 -0.09 -4.94 119.74 124.42 3knu s LYS 82 Ca 0.71 -0.06 -0.26 0.00 -1.56 0.00 0.00 55.97 54.79 3knu s LYS 82 Cb -0.32 -3.93 0.01 0.00 -1.46 0.00 0.00 37.83 32.13 3knu s LYS 82 CO 0.37 -1.10 0.91 -0.51 0.16 0.00 0.00 175.35 175.18 3knu s LEU 83 N 3.29 4.04 0.17 5.43 1.43 -1.26 -1.30 118.68 130.48 3knu s LEU 83 Ca 0.30 0.92 0.10 0.00 -1.03 0.00 0.00 54.13 54.42 3knu s LEU 83 Cb -0.12 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3knu s LEU 83 CO 0.22 -0.69 -0.21 -0.04 0.23 0.00 0.00 176.35 175.86 3knu s MET 84 N 3.19 1.36 -0.03 1.70 -1.94 0.15 -1.23 119.30 122.51 3knu s MET 84 Ca 0.38 -1.43 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 3knu s MET 84 Cb -0.14 -1.56 0.03 0.00 2.01 0.00 0.00 34.83 35.17 3knu s MET 84 CO 0.12 0.33 0.00 0.12 -0.01 0.00 0.00 175.02 175.59 3knu s PHE 85 N -1.79 0.29 -0.14 -0.03 5.36 0.03 -0.60 117.98 121.10 3knu s PHE 85 Ca 0.17 0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 55.88 3knu s PHE 85 Cb -0.07 -0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 42.19 3knu s PHE 85 CO 0.08 -0.13 0.94 0.95 -1.46 0.00 0.00 175.22 175.59 3knu s THR 86 N 1.07 4.82 -0.08 0.12 -4.23 -1.05 -1.09 115.64 115.20 3knu s THR 86 Ca -0.09 1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 61.99 3knu s THR 86 Cb -0.13 -4.24 0.07 0.00 1.34 0.00 0.00 72.50 69.54 3knu s THR 86 CO -0.02 0.00 0.71 -0.94 -0.54 0.00 0.00 174.62 173.83 3knu s SER 87 N 1.12 -0.65 0.56 3.99 1.04 -0.33 -4.41 113.70 115.01 3knu s SER 87 Ca 0.44 0.77 0.26 0.00 0.48 0.00 0.00 55.95 57.90 3knu s SER 87 Cb -0.17 0.62 1.49 0.00 0.10 0.00 0.00 66.02 68.05 3knu s SER 87 CO 0.15 -0.55 2.03 -0.65 0.98 0.00 0.00 173.24 175.19 3knu h PRO 88 N 3.18 0.00 -0.01 4.02 0.11 -1.94 -1.11 132.00 136.25 3knu h PRO 88 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3knu h PRO 88 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3knu h PRO 88 CO 0.35 0.00 -0.07 0.54 -0.21 0.00 0.00 178.00 178.61 3knu n ARG 89 N -4.10 1.07 -1.20 1.05 3.00 -1.26 -4.85 116.66 110.36 3knu n ARG 89 Ca 0.06 -0.44 -0.29 0.00 -0.01 0.00 0.00 57.85 57.17 3knu n ARG 89 Cb 0.48 -1.49 0.16 0.00 0.00 0.00 0.00 32.46 31.61 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 -2.23 1.58 0.38 -0.13 0.00 -0.42 -4.95 107.32 101.56 3knu s GLY 90 Ca 0.35 -0.27 -0.26 0.00 0.00 0.00 0.00 44.72 44.55 3knu s GLY 90 CO 0.41 0.30 1.06 -0.62 0.00 0.00 0.00 173.10 174.25 3knu n VAL 91 N -4.05 2.29 -2.16 1.40 0.31 -0.65 -4.11 118.33 111.35 3knu n VAL 91 Ca 0.06 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 3knu n VAL 91 Cb 0.57 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 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 -0.63 6.78 0.10 4.52 0.01 -1.26 0.28 113.70 123.50 3knu s SER 92 Ca 0.61 2.06 -0.31 0.00 1.31 0.00 0.00 55.95 59.62 3knu s SER 92 Cb -0.59 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.04 3knu s SER 92 CO 0.58 -0.84 1.28 0.12 0.41 0.00 0.00 173.24 174.79 3knu s PHE 93 N 3.60 3.35 0.16 2.43 5.36 0.11 -4.88 117.98 128.10 3knu s PHE 93 Ca 0.66 1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 57.75 3knu s PHE 93 Cb -0.30 -3.54 -0.03 0.00 -0.34 0.00 0.00 43.02 38.82 3knu s PHE 93 CO 0.25 -1.75 0.17 0.95 -1.46 0.00 0.00 175.22 173.37 3knu s THR 94 N 0.96 0.07 0.30 0.12 -4.23 -1.26 -4.88 115.64 106.73 3knu s THR 94 Ca 0.61 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.46 3knu s THR 94 Cb -0.33 -2.04 0.29 0.00 1.34 0.00 0.00 72.50 71.76 3knu s THR 94 CO 0.30 -0.32 1.72 -0.61 -0.54 0.00 0.00 174.62 175.17 3knu h GLN 95 N 2.69 0.49 -0.21 3.99 5.75 -1.99 -0.58 115.11 125.25 3knu h GLN 95 Ca -0.34 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 3knu h GLN 95 Cb 1.22 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3knu h GLN 95 CO 0.53 0.32 0.13 0.22 -2.65 0.00 0.00 178.83 177.39 3knu h ASP 96 N 0.51 0.24 -0.56 -0.69 3.58 -1.98 -0.69 116.42 116.83 3knu h ASP 96 Ca 0.58 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.98 3knu h ASP 96 Cb 1.06 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 3knu h ASP 96 CO -0.48 0.19 0.28 0.40 -2.88 0.00 0.00 179.24 176.75 3knu h ILE 97 N 0.27 1.20 -0.46 2.25 5.03 -1.60 -0.62 117.51 123.57 3knu h ILE 97 Ca 0.07 -0.56 0.01 0.00 -0.12 0.00 0.00 64.86 64.27 3knu h ILE 97 Cb -0.01 0.44 -0.03 0.00 -3.03 0.00 0.00 36.82 34.20 3knu h ILE 97 CO -0.02 0.23 0.30 0.00 -0.68 0.00 0.00 178.15 177.98 3knu h ALA 98 N 1.47 0.59 -0.58 1.87 0.00 -0.78 0.46 119.26 122.30 3knu h ALA 98 Ca 0.21 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3knu h ALA 98 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3knu h ALA 98 CO -0.03 0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.60 3knu h ARG 99 N 0.61 0.69 -0.84 0.00 3.08 -0.27 -1.97 114.38 115.68 3knu h ARG 99 Ca 0.18 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3knu h ARG 99 Cb -0.05 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 3knu h ARG 99 CO -0.05 0.46 0.51 1.96 -1.07 0.00 0.00 179.97 181.77 3knu h GLN 100 N 0.71 1.14 -0.33 0.04 4.20 -0.81 -2.29 115.11 117.77 3knu h GLN 100 Ca 0.23 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3knu h GLN 100 Cb 0.00 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3knu h GLN 100 CO -0.09 0.80 0.22 1.15 -0.67 0.00 0.00 178.83 180.25 3knu h THR 101 N 1.15 1.03 0.00 -0.54 2.02 -0.59 -1.82 112.91 114.17 3knu h THR 101 Ca 0.30 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 3knu h THR 101 Cb -0.05 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3knu h THR 101 CO -0.06 0.07 -0.02 0.24 0.37 0.00 0.00 175.52 176.12 3knu h MET 102 N 0.36 0.00 0.00 6.66 2.86 -0.76 -2.11 114.93 121.94 3knu h MET 102 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3knu h MET 102 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3knu h MET 102 CO -0.03 0.02 0.00 0.09 1.06 0.00 0.00 176.91 178.05 3knu n ASN 103 N -4.11 0.25 -4.64 1.22 3.02 -0.68 -4.44 115.26 105.87 3knu n ASN 103 Ca -0.03 0.61 -0.35 0.00 -0.03 0.00 0.00 54.58 54.79 3knu n ASN 103 Cb 0.10 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.24 3.10 -1.87 3.10 0.08 -0.79 -5.00 117.98 113.37 3knu s PHE 104 Ca -0.01 0.11 0.28 0.00 0.12 0.00 0.00 56.93 57.43 3knu s PHE 104 Cb 0.03 -1.80 0.98 0.00 -0.57 0.00 0.00 43.02 41.67 3knu s PHE 104 CO 0.10 0.38 1.70 -0.40 -0.10 0.00 0.00 175.22 176.91 3knu n ASP 105 N 2.33 0.92 -3.50 1.36 5.68 -1.26 -4.81 116.55 117.27 3knu n ASP 105 Ca -0.18 -0.91 -0.15 0.00 -0.50 0.00 0.00 54.79 53.04 3knu n ASP 105 Cb 0.53 0.05 -0.12 0.00 -1.14 0.00 0.00 41.12 40.44 3knu n ASP 105 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3knu s ASN 106 N -2.39 0.86 -0.04 -1.12 3.84 -1.26 -1.72 114.94 113.11 3knu s ASN 106 Ca 0.29 0.08 0.05 0.00 0.21 0.00 0.00 52.86 53.49 3knu s ASN 106 Cb 0.20 0.63 -0.01 0.00 -0.55 0.00 0.00 41.25 41.52 3knu s ASN 106 CO 0.47 -0.30 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.65 3knu s ILE 107 N 2.40 1.65 -0.15 -5.21 -1.09 -0.56 -0.91 121.20 117.33 3knu s ILE 107 Ca 0.07 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 3knu s ILE 107 Cb -0.15 -1.40 0.01 0.00 -1.58 0.00 0.00 42.46 39.34 3knu s ILE 107 CO -0.12 0.47 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.96 3knu s THR 108 N -0.10 2.02 -0.33 2.92 2.01 -0.42 -0.28 115.64 121.47 3knu s THR 108 Ca -0.02 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 3knu s THR 108 Cb -0.12 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.65 3knu s THR 108 CO 0.02 0.54 0.05 -0.76 -0.69 0.00 0.00 174.62 173.79 3knu s LEU 109 N 0.98 4.23 -0.11 4.42 1.43 0.80 0.35 118.68 130.77 3knu s LEU 109 Ca -0.03 -1.40 -0.28 0.00 -1.03 0.00 0.00 54.13 51.38 3knu s LEU 109 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3knu s LEU 109 CO -0.05 -0.32 0.95 -0.22 0.23 0.00 0.00 176.35 176.93 3knu s LEU 110 N 1.25 4.24 -0.31 1.79 2.96 0.23 -1.32 118.68 127.53 3knu s LEU 110 Ca -0.02 1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 55.22 3knu s LEU 110 Cb -0.20 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3knu s LEU 110 CO -0.01 -0.41 0.20 0.00 -1.32 0.00 0.00 176.35 174.81 3knu s GLY 112 N 1.72 2.49 0.33 0.00 0.00 -1.26 -4.69 107.32 105.91 3knu s GLY 112 Ca 0.06 0.68 0.03 0.00 0.00 0.00 0.00 44.72 45.49 3knu s GLY 112 CO 0.10 1.02 0.35 0.50 0.00 0.00 0.00 173.10 175.07 3knu s ARG 113 N -3.44 1.80 3.55 2.90 1.81 -1.26 -0.43 118.95 123.89 3knu s ARG 113 Ca 0.69 -1.90 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 3knu s ARG 113 Cb -0.20 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 3knu s ARG 113 CO 0.27 -0.70 0.00 1.19 -0.68 0.00 0.00 175.30 175.38 3knu n PHE 114 N -0.59 0.00 0.90 -0.53 3.72 -1.26 -1.59 117.46 118.12 3knu n PHE 114 Ca 0.05 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 3knu n PHE 114 Cb 0.62 0.00 0.30 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 1.95 0.00 -1.08 -0.58 0.05 -4.96 120.64 130.01 3knu n GLU 115 Ca 0.00 -1.44 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 3knu n GLU 115 Cb 0.00 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 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 1.22 0.36 3.30 0.62 0.00 -0.62 -4.98 105.19 105.08 3knu n GLY 116 Ca 0.16 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.51 1.54 0.14 -0.61 -4.36 -1.26 -1.54 121.20 114.59 3knu s ILE 117 Ca 0.00 -2.01 -0.32 0.00 -0.26 0.00 0.00 60.65 58.06 3knu s ILE 117 Cb 0.00 -1.84 -0.12 0.00 1.25 0.00 0.00 42.46 41.75 3knu s ILE 117 CO 0.00 -0.54 1.77 -0.67 0.24 0.00 0.00 174.94 175.74 3knu n ASP 118 N -0.01 3.84 0.28 4.36 2.03 -0.95 -4.88 116.55 121.22 3knu n ASP 118 Ca -0.11 1.02 0.12 0.00 0.52 0.00 0.00 54.79 56.35 3knu n ASP 118 Cb 0.59 -1.53 0.80 0.00 -0.72 0.00 0.00 41.12 40.26 3knu n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3knu h GLU 119 N 7.62 0.00 0.00 -0.67 4.57 -1.99 -1.83 114.58 122.28 3knu h GLU 119 Ca -0.45 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 3knu h GLU 119 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3knu h GLU 119 CO 0.94 0.03 -0.07 0.00 -1.18 0.00 0.00 179.01 178.73 3knu h ARG 120 N 0.00 0.00 -0.44 1.92 3.08 -1.99 -2.23 114.38 114.72 3knu h ARG 120 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3knu h ARG 120 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3knu h ARG 120 CO 0.00 0.07 0.16 0.28 -1.07 0.00 0.00 179.97 179.41 3knu h VAL 121 N 0.00 1.21 -0.28 2.04 2.07 -1.71 0.14 116.25 119.72 3knu h VAL 121 Ca -0.00 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3knu h VAL 121 Cb 0.13 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3knu h VAL 121 CO 0.01 0.24 0.17 0.58 0.02 0.00 0.00 177.57 178.59 3knu h VAL 122 N 0.56 1.10 -0.04 2.57 2.07 -1.54 -2.68 116.25 118.29 3knu h VAL 122 Ca 0.14 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3knu h VAL 122 Cb 0.22 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3knu h VAL 122 CO -0.01 0.09 -0.11 0.44 0.02 0.00 0.00 177.57 178.00 3knu h ASP 123 N 0.35 0.16 -0.83 0.57 3.32 -1.35 -0.35 116.42 118.30 3knu h ASP 123 Ca 0.10 -0.61 0.07 0.00 0.02 0.00 0.00 57.03 56.61 3knu h ASP 123 Cb 0.01 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 3knu h ASP 123 CO -0.02 0.75 0.50 0.15 -1.72 0.00 0.00 179.24 178.90 3knu h PHE 124 N -0.41 0.92 -0.01 4.55 3.57 -0.78 -2.73 116.94 122.05 3knu h PHE 124 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3knu h PHE 124 Cb 0.73 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3knu h PHE 124 CO 0.13 0.45 -0.40 0.66 -2.23 0.00 0.00 178.31 176.92 3knu n TYR 125 N -4.66 0.00 -3.82 0.41 4.01 -1.01 -4.97 117.16 107.11 3knu n TYR 125 Ca 0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 3knu n TYR 125 Cb 0.20 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 -4.37 -1.70 -0.72 5.02 -0.21 -4.87 118.16 111.23 3knu n LYS 126 Ca 0.10 0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 56.50 3knu n LYS 126 Cb 0.45 -4.98 -0.03 0.00 -0.02 0.00 0.00 35.03 30.45 3knu n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3knu n LEU 127 N -4.36 3.67 -4.65 -0.35 4.77 -0.75 -4.92 117.00 110.42 3knu n LEU 127 Ca -0.26 1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 56.41 3knu n LEU 127 Cb 0.66 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 3knu n LEU 127 CO 0.72 -0.13 0.95 -1.58 -1.33 0.00 0.00 177.39 176.01 3knu s GLN 128 N 0.01 4.14 0.01 3.23 0.74 -0.36 -4.86 119.66 122.57 3knu s GLN 128 Ca 0.69 1.18 -0.26 0.00 0.05 0.00 0.00 55.36 57.03 3knu s GLN 128 Cb -0.58 -3.70 -0.05 0.00 1.10 0.00 0.00 33.01 29.78 3knu s GLN 128 CO 0.45 -0.80 0.81 -1.21 -0.55 0.00 0.00 175.29 173.99 3knu s GLU 129 N 3.48 4.51 -0.04 1.67 2.02 -1.26 -0.79 118.70 128.30 3knu s GLU 129 Ca 0.45 1.12 0.03 0.00 0.02 0.00 0.00 54.97 56.59 3knu s GLU 129 Cb -0.13 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.70 3knu s GLU 129 CO 0.12 0.16 -0.12 0.54 0.02 0.00 0.00 175.26 175.98 3knu s VAL 130 N 0.37 1.02 -0.13 2.63 0.11 -0.25 -1.64 120.40 122.50 3knu s VAL 130 Ca 0.42 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 3knu s VAL 130 Cb -0.20 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3knu s VAL 130 CO 0.23 0.31 -0.16 -0.55 -3.33 0.00 0.00 175.10 171.60 3knu s SER 131 N 0.21 3.68 0.00 3.54 0.15 0.14 -1.19 113.70 120.24 3knu s SER 131 Ca -0.05 -0.43 0.28 0.00 0.70 0.00 0.00 55.95 56.46 3knu s SER 131 Cb -0.10 -1.55 1.34 0.00 -1.71 0.00 0.00 66.02 64.00 3knu s SER 131 CO 0.01 0.14 1.94 2.30 1.20 0.00 0.00 173.24 178.83 3knu n ILE 132 N 3.68 0.09 0.00 6.45 -5.35 -1.26 0.04 119.36 123.01 3knu n ILE 132 Ca -0.19 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 3knu n ILE 132 Cb 0.52 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 1.17 1.67 2.97 3.28 0.00 -1.26 -4.75 105.19 108.27 3knu n GLY 133 Ca 0.11 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 4.78 -3.58 1.61 2.03 -1.26 -4.88 116.55 115.25 3knu n ASP 134 Ca 0.00 -3.01 -0.15 0.00 0.52 0.00 0.00 54.79 52.15 3knu n ASP 134 Cb 0.00 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 38.78 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 1.58 -0.48 -0.25 -0.67 -0.85 -1.26 -5.15 117.35 110.27 3knu s TYR 135 Ca 0.43 0.71 -0.11 0.00 -0.52 0.00 0.00 57.07 57.58 3knu s TYR 135 Cb 0.09 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 3knu s TYR 135 CO -0.01 -0.59 0.17 0.08 -1.52 0.00 0.00 175.55 173.68 3knu s VAL 136 N -1.77 5.35 0.40 -3.49 1.01 -1.26 -4.98 120.40 115.66 3knu s VAL 136 Ca -0.09 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3knu s VAL 136 Cb -0.01 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3knu s VAL 136 CO 0.04 0.33 0.47 -0.76 0.00 0.00 0.00 175.10 175.18 3knu s LEU 137 N 1.19 3.64 0.37 3.92 1.43 -1.26 -5.04 118.68 122.92 3knu s LEU 137 Ca 0.08 -0.47 0.20 0.00 -1.03 0.00 0.00 54.13 52.90 3knu s LEU 137 Cb -0.14 -2.47 0.49 0.00 0.03 0.00 0.00 46.19 44.10 3knu s LEU 137 CO 0.06 -0.63 1.64 0.28 0.23 0.00 0.00 176.35 177.92 3knu h SER 138 N 0.85 0.00 -1.96 2.29 0.02 -1.98 -3.47 113.55 109.30 3knu h SER 138 Ca -0.42 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.64 3knu h SER 138 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3knu h SER 138 CO 0.51 0.34 0.42 0.61 -1.14 0.00 0.00 176.83 177.56 3knu n GLY 139 N 0.69 0.81 0.00 -3.77 0.00 -1.26 -4.60 105.19 97.06 3knu n GLY 139 Ca 0.01 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.08 3knu n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knu n GLY 140 N -0.51 -1.02 0.20 -0.02 0.00 0.43 -4.27 105.19 100.00 3knu n GLY 140 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.61 -0.39 1.61 3.07 -1.91 0.63 114.58 118.21 3knu h GLU 141 Ca 0.00 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.63 3knu h GLU 141 Cb 0.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3knu h GLU 141 CO 0.00 0.62 -0.14 -0.07 -1.40 0.00 0.00 179.01 178.01 3knu h LEU 142 N 0.49 0.70 -0.48 1.33 3.38 -2.00 -0.58 115.31 118.15 3knu h LEU 142 Ca 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3knu h LEU 142 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3knu h LEU 142 CO -0.00 0.86 0.20 0.00 0.09 0.00 0.00 178.44 179.59 3knu h ALA 143 N 1.20 0.62 -0.51 1.53 0.00 -1.71 -1.08 119.26 119.32 3knu h ALA 143 Ca 0.11 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3knu h ALA 143 Cb 0.61 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3knu h ALA 143 CO 0.04 0.21 0.25 0.00 0.00 0.00 0.00 179.25 179.75 3knu h ALA 144 N 1.05 0.65 -0.38 0.00 0.00 -0.47 -1.90 119.26 118.20 3knu h ALA 144 Ca 0.16 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3knu h ALA 144 Cb 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3knu h ALA 144 CO -0.02 -0.11 0.17 0.52 0.00 0.00 0.00 179.25 179.81 3knu h MET 145 N 0.48 0.34 -0.46 0.00 2.07 -0.79 -0.73 114.93 115.83 3knu h MET 145 Ca 0.23 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.88 3knu h MET 145 Cb 0.15 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.76 3knu h MET 145 CO -0.17 0.22 0.21 0.28 1.07 0.00 0.00 176.91 178.52 3knu h VAL 146 N 0.35 0.92 -0.23 -2.22 2.07 -1.03 0.12 116.25 116.22 3knu h VAL 146 Ca 0.17 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3knu h VAL 146 Cb 0.10 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3knu h VAL 146 CO -0.14 0.08 0.04 0.40 0.02 0.00 0.00 177.57 177.97 3knu h ILE 147 N 0.42 1.23 -0.13 4.57 2.04 -1.02 -0.97 117.51 123.65 3knu h ILE 147 Ca 0.21 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3knu h ILE 147 Cb 0.15 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3knu h ILE 147 CO -0.17 0.24 0.04 0.40 0.00 0.00 0.00 178.15 178.66 3knu h ILE 148 N 0.19 1.17 0.00 -0.67 2.04 -0.94 -1.01 117.51 118.30 3knu h ILE 148 Ca 0.07 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.42 3knu h ILE 148 Cb 0.32 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3knu h ILE 148 CO 0.00 0.16 -0.19 -0.78 0.00 0.00 0.00 178.15 177.34 3knu h ASP 149 N 0.03 -0.55 -0.40 1.72 3.58 -0.96 0.10 116.42 119.93 3knu h ASP 149 Ca 0.04 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.65 3knu h ASP 149 Cb 0.21 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.41 3knu h ASP 149 CO -0.00 -0.26 -0.16 0.74 -2.88 0.00 0.00 179.24 176.68 3knu h THR 150 N -0.31 0.48 -0.12 2.25 2.02 -1.03 -2.44 112.91 113.76 3knu h THR 150 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3knu h THR 150 Cb 0.38 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3knu h THR 150 CO -0.17 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.66 3knu h VAL 152 N -0.09 1.13 -0.09 0.00 2.07 -0.63 -1.31 116.25 117.33 3knu h VAL 152 Ca 0.03 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3knu h VAL 152 Cb 0.50 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3knu h VAL 152 CO 0.02 0.15 0.24 0.03 0.02 0.00 0.00 177.57 178.03 3knu h ARG 153 N 0.51 0.00 -0.02 1.57 3.08 -1.51 -1.16 114.38 116.86 3knu h ARG 153 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3knu h ARG 153 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3knu h ARG 153 CO -0.02 0.00 -0.37 -1.33 -1.07 0.00 0.00 179.97 177.18 3knu n MET 154 N -3.25 1.40 -2.12 0.04 2.81 -0.49 -4.41 117.12 111.10 3knu n MET 154 Ca -0.00 -1.14 -0.42 0.00 -1.81 0.00 0.00 57.70 54.33 3knu n MET 154 Cb 0.33 -1.48 -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 -2.39 3.52 0.15 2.03 1.01 -0.44 -4.95 120.40 119.34 3knu s VAL 155 Ca 0.21 0.89 -0.34 0.00 0.00 0.00 0.00 61.98 62.75 3knu s VAL 155 Cb 0.19 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 3knu s VAL 155 CO 0.52 -0.01 1.63 -2.65 0.00 0.00 0.00 175.10 174.58 3knu n PRO 156 N 5.66 2.26 0.00 2.72 -0.02 -1.26 -1.89 135.00 142.47 3knu n PRO 156 Ca 0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3knu n PRO 156 Cb 0.43 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.58 1.92 0.09 -1.23 0.00 -1.26 -4.94 105.19 103.34 3knu n GLY 157 Ca 0.17 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 1.22 -0.22 1.61 2.07 -1.68 -3.49 116.25 115.76 3knu h VAL 158 Ca 0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3knu h VAL 158 Cb 0.00 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3knu h VAL 158 CO 0.00 0.28 0.00 -0.38 0.02 0.00 0.00 177.57 177.49 3knu n ILE 159 N -4.89 0.00 -3.52 4.57 2.08 -1.26 -4.83 119.36 111.51 3knu n ILE 159 Ca -0.09 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.94 3knu n ILE 159 Cb 0.27 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.01 3knu n ILE 159 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3knu s GLU 175 N 4.58 0.26 0.23 0.38 0.41 -1.26 -5.18 118.70 118.12 3knu s GLU 175 Ca 0.00 -0.69 0.09 0.00 -0.41 0.00 0.00 54.97 53.97 3knu s GLU 175 Cb 0.00 -1.18 -0.05 0.00 -1.78 0.00 0.00 34.13 31.12 3knu s GLU 175 CO 0.00 -1.06 -0.17 1.52 -0.49 0.00 0.00 175.26 175.06 3knu s TYR 176 N 1.90 1.95 0.68 1.61 1.13 -1.26 -4.37 117.35 118.99 3knu s TYR 176 Ca 0.11 -0.47 -0.15 0.00 -1.41 0.00 0.00 57.07 55.15 3knu s TYR 176 Cb -0.17 -0.89 0.01 0.00 -1.10 0.00 0.00 41.96 39.81 3knu s TYR 176 CO -0.29 0.49 1.14 -1.25 -2.51 0.00 0.00 175.55 173.12 3knu s PRO 177 N -3.45 2.59 0.18 -3.49 0.04 -1.26 -5.05 135.00 124.55 3knu s PRO 177 Ca 0.24 1.50 0.08 0.00 0.04 0.00 0.00 61.00 62.86 3knu s PRO 177 Cb -0.03 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3knu s PRO 177 CO 0.10 -1.44 -0.16 -0.65 0.04 0.00 0.00 177.00 174.89 3knu s GLN 178 N -4.04 1.25 -0.02 4.56 -0.21 -1.26 -5.09 119.66 114.85 3knu s GLN 178 Ca 0.69 -1.46 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 3knu s GLN 178 Cb -0.23 -1.15 0.01 0.00 1.00 0.00 0.00 33.01 32.65 3knu s GLN 178 CO 0.43 0.21 0.22 0.71 -2.12 0.00 0.00 175.29 174.74 3knu s TYR 179 N -2.51 -0.09 0.25 0.91 1.51 -1.26 -5.17 117.35 110.99 3knu s TYR 179 Ca 0.18 0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.44 3knu s TYR 179 Cb -0.03 0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.83 3knu s TYR 179 CO 0.06 -0.30 0.24 -2.37 -1.11 0.00 0.00 175.55 172.07 3knu n THR 180 N 1.64 0.00 -1.62 -0.71 5.66 -1.26 -5.14 114.28 112.85 3knu n THR 180 Ca -0.21 -1.76 -0.36 0.00 -3.05 0.00 0.00 64.05 58.67 3knu n THR 180 Cb 0.56 0.90 0.08 0.00 -1.55 0.00 0.00 70.33 70.32 3knu n THR 180 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3knu s ARG 181 N -2.96 2.37 0.58 1.09 3.03 -1.26 -4.63 118.95 117.18 3knu s ARG 181 Ca 0.29 1.96 -0.10 0.00 2.03 0.00 0.00 55.73 59.91 3knu s ARG 181 Cb 0.01 -1.84 -0.04 0.00 -1.03 0.00 0.00 34.95 32.05 3knu s ARG 181 CO 0.20 -1.71 0.97 -1.25 -1.13 0.00 0.00 175.30 172.39 3knu s PRO 182 N -3.56 3.61 0.47 3.89 0.04 -1.26 -5.08 135.00 133.11 3knu s PRO 182 Ca 0.80 0.63 0.23 0.00 0.04 0.00 0.00 61.00 62.70 3knu s PRO 182 Cb -0.35 -2.15 1.18 0.00 0.04 0.00 0.00 34.50 33.22 3knu s PRO 182 CO 0.42 -0.47 1.97 0.00 0.04 0.00 0.00 177.00 178.96 3knu h ALA 183 N -0.12 1.28 -3.79 8.56 0.00 -1.94 -3.42 119.26 119.84 3knu h ALA 183 Ca -0.45 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 53.97 3knu h ALA 183 Cb 1.19 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.66 3knu h ALA 183 CO 0.62 0.24 -0.75 0.45 0.00 0.00 0.00 179.25 179.81 3knu s SER 184 N -6.37 0.48 -0.23 0.00 0.15 -1.26 -1.98 113.70 104.48 3knu s SER 184 Ca -0.02 -0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 3knu s SER 184 Cb 0.13 -0.10 0.10 0.00 -1.71 0.00 0.00 66.02 64.44 3knu s SER 184 CO 0.63 0.02 0.51 0.86 1.20 0.00 0.00 173.24 176.46 3knu s TRP 185 N 0.13 -0.97 -1.75 3.44 -0.00 -0.93 -4.87 118.94 114.00 3knu s TRP 185 Ca -0.01 1.80 -0.20 0.00 -0.00 0.00 0.00 56.10 57.69 3knu s TRP 185 Cb -0.04 0.49 0.18 0.00 -0.00 0.00 0.00 33.47 34.09 3knu s TRP 185 CO -0.00 -0.53 0.75 1.63 -0.00 0.00 0.00 176.95 178.80 3knu n LYS 186 N 5.17 -2.67 -0.97 5.86 5.02 -1.26 -0.62 118.16 128.69 3knu n LYS 186 Ca -0.13 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3knu n LYS 186 Cb 0.51 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 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 -1.32 0.49 3.54 0.72 0.00 -1.26 -5.00 105.19 102.35 3knu n GLY 187 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 3.83 -0.00 1.61 -1.94 0.21 -5.08 119.30 117.52 3knu s MET 188 Ca 0.00 -0.39 -0.04 0.00 -1.71 0.00 0.00 55.69 53.54 3knu s MET 188 Cb 0.00 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 3knu s MET 188 CO 0.00 -0.04 0.22 -1.21 -0.01 0.00 0.00 175.02 173.98 3knu s GLU 189 N 1.25 3.50 0.32 2.03 0.41 -1.26 -2.18 118.70 122.76 3knu s GLU 189 Ca 0.05 -0.22 -0.29 0.00 -0.41 0.00 0.00 54.97 54.11 3knu s GLU 189 Cb -0.14 -3.09 -0.10 0.00 -1.78 0.00 0.00 34.13 29.02 3knu s GLU 189 CO 0.04 0.66 1.23 0.08 -0.49 0.00 0.00 175.26 176.78 3knu s VAL 190 N -1.31 3.01 -0.03 2.63 1.01 -0.84 -4.91 120.40 119.95 3knu s VAL 190 Ca 0.27 1.01 -0.37 0.00 0.00 0.00 0.00 61.98 62.89 3knu s VAL 190 Cb -0.13 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3knu s VAL 190 CO 0.17 0.23 1.57 -2.65 0.00 0.00 0.00 175.10 174.42 3knu n PRO 191 N 0.88 1.44 -0.13 2.72 -0.02 -1.26 -4.82 135.00 133.81 3knu n PRO 191 Ca -0.00 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3knu n PRO 191 Cb 0.43 -2.22 0.33 0.00 -0.02 0.00 0.00 33.50 32.02 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 6.17 0.77 -1.04 -0.52 4.81 -2.01 -2.28 114.58 120.49 3knu h GLU 192 Ca -0.47 -0.05 0.27 0.00 -0.13 0.00 0.00 59.36 58.98 3knu h GLU 192 Cb 1.31 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3knu h GLU 192 CO 0.87 0.51 0.67 -0.24 -0.73 0.00 0.00 179.01 180.10 3knu h VAL 193 N 0.80 0.52 0.00 0.32 3.04 -1.98 0.61 116.25 119.56 3knu h VAL 193 Ca 0.24 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 3knu h VAL 193 Cb -0.02 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.38 3knu h VAL 193 CO -0.06 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.75 3knu n LEU 194 N -4.61 0.13 -0.60 3.16 4.77 -0.86 -2.01 117.00 116.99 3knu n LEU 194 Ca 0.25 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.85 3knu n LEU 194 Cb 0.89 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 41.51 3knu n LEU 194 CO 0.26 -0.40 0.49 0.18 -1.33 0.00 0.00 177.39 176.59 3knu n LEU 195 N -1.65 2.26 -0.02 2.23 4.77 0.20 -4.54 117.00 120.25 3knu n LEU 195 Ca 0.02 -1.04 0.13 0.00 -0.03 0.00 0.00 56.01 55.10 3knu n LEU 195 Cb 0.13 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 41.63 3knu n LEU 195 CO 0.11 0.42 0.69 0.35 -1.33 0.00 0.00 177.39 177.62 3knu n THR 196 N 0.83 0.00 -1.29 -5.08 -2.24 -0.85 -4.93 114.28 100.71 3knu n THR 196 Ca 0.09 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 3knu n THR 196 Cb 0.37 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 3knu n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knu n GLY 197 N 1.48 0.98 3.40 3.38 0.00 -1.26 -4.94 105.19 108.22 3knu n GLY 197 Ca 0.07 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.39 6.54 0.16 1.61 3.84 -1.26 -4.91 114.94 118.53 3knu s ASN 198 Ca 0.00 -2.02 -0.15 0.00 0.21 0.00 0.00 52.86 50.91 3knu s ASN 198 Cb 0.00 -2.33 0.08 0.00 -0.55 0.00 0.00 41.25 38.45 3knu s ASN 198 CO 0.00 -0.97 1.78 -0.74 -2.79 0.00 0.00 177.10 174.38 3knu h HIS 199 N 8.68 0.39 -0.19 0.43 -0.00 -1.95 -0.97 115.15 121.54 3knu h HIS 199 Ca 0.02 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3knu h HIS 199 Cb 1.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 28.29 3knu h HIS 199 CO 1.05 0.20 -0.14 0.78 -0.00 0.00 0.00 177.93 179.81 3knu h GLY 200 N 0.43 -0.01 2.00 5.26 0.00 -1.99 -0.02 103.07 108.73 3knu h GLY 200 Ca 0.18 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 3knu h GLY 200 CO -0.13 -0.15 -0.39 0.83 0.00 0.00 0.00 176.54 176.70 3knu h GLU 201 N -0.15 0.00 -0.17 4.80 4.39 -1.86 -1.23 114.58 120.35 3knu h GLU 201 Ca 0.11 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 3knu h GLU 201 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3knu h GLU 201 CO -0.28 0.39 -0.13 0.82 -1.16 0.00 0.00 179.01 178.65 3knu h ILE 202 N 0.00 1.33 0.13 3.13 2.04 -0.88 -0.89 117.51 122.37 3knu h ILE 202 Ca -0.00 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.64 3knu h ILE 202 Cb 0.74 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3knu h ILE 202 CO 0.05 0.37 -0.27 -0.33 0.00 0.00 0.00 178.15 177.97 3knu h GLU 203 N 0.06 -0.47 -0.51 2.37 5.08 -0.70 -0.80 114.58 119.61 3knu h GLU 203 Ca 0.03 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3knu h GLU 203 Cb 0.64 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 3knu h GLU 203 CO 0.03 -0.31 -0.07 0.87 -1.00 0.00 0.00 179.01 178.53 3knu h LYS 204 N -0.49 0.05 -0.79 2.33 1.57 -1.22 -0.43 116.57 117.59 3knu h LYS 204 Ca 0.03 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3knu h LYS 204 Cb 0.51 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3knu h LYS 204 CO -0.15 0.03 0.37 2.35 -0.57 0.00 0.00 179.45 181.48 3knu h TRP 205 N 0.05 1.15 -0.27 -1.35 7.01 -0.83 -0.55 115.95 121.17 3knu h TRP 205 Ca 0.25 -0.06 -0.14 0.00 2.11 0.00 0.00 58.89 61.05 3knu h TRP 205 Cb 0.39 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3knu h TRP 205 CO -0.38 0.85 -0.40 0.00 -2.79 0.00 0.00 178.44 175.72 3knu h ARG 206 N 1.12 0.64 0.27 2.65 3.08 -0.71 -1.35 114.38 120.08 3knu h ARG 206 Ca 0.27 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3knu h ARG 206 Cb 0.14 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3knu h ARG 206 CO -0.03 0.93 -0.13 0.00 -1.07 0.00 0.00 179.97 179.67 3knu h ARG 207 N 0.53 -0.34 0.00 0.04 3.08 -0.68 -2.73 114.38 114.28 3knu h ARG 207 Ca 0.04 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3knu h ARG 207 Cb 0.92 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 3knu h ARG 207 CO 0.08 -0.20 -0.14 -0.91 -1.07 0.00 0.00 179.97 177.74 3knu h ASN 208 N -0.40 0.00 1.26 7.04 2.35 -1.02 -2.43 115.58 122.38 3knu h ASN 208 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3knu h ASN 208 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3knu h ASN 208 CO 0.06 0.14 -0.25 0.00 -1.65 0.00 0.00 177.43 175.73 3knu h ALA 209 N 1.86 0.84 -0.26 -0.83 0.00 -1.22 -3.22 119.26 116.43 3knu h ALA 209 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3knu h ALA 209 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3knu h ALA 209 CO 0.02 0.00 0.20 0.43 0.00 0.00 0.00 179.25 179.90 3knu n SER 210 N -2.25 4.61 0.00 0.00 7.64 -0.91 -4.74 113.62 117.97 3knu n SER 210 Ca 0.05 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.33 3knu n SER 210 Cb 0.44 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3knu n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03