#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1knf s ILE 3 N 0.00 2.79 -0.15 0.44 1.01 -1.26 -4.44 121.20 119.60 1knf s ILE 3 Ca 0.00 0.42 0.17 0.00 0.00 0.00 0.00 60.65 61.24 1knf s ILE 3 Cb 0.00 -3.27 -0.24 0.00 0.01 0.00 0.00 42.46 38.96 1knf s ILE 3 CO 0.00 0.01 0.27 0.54 0.00 0.00 0.00 174.94 175.77 1knf n ARG 4 N 4.86 0.67 -3.68 2.79 5.12 0.76 -4.85 116.66 122.32 1knf n ARG 4 Ca 0.15 0.07 0.03 0.00 -1.93 0.00 0.00 57.85 56.17 1knf n ARG 4 Cb 0.39 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1knf n ARG 4 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1knf s SER 5 N -5.63 -0.02 -0.21 0.55 1.04 -1.19 -4.50 113.70 103.74 1knf s SER 5 Ca -0.08 -0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.02 1knf s SER 5 Cb 0.07 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1knf s SER 5 CO 0.83 -0.17 0.82 -0.22 0.98 0.00 0.00 173.24 175.49 1knf s LEU 6 N -3.19 4.12 -0.23 2.42 2.96 -1.26 -0.60 118.68 122.89 1knf s LEU 6 Ca 0.18 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 55.15 1knf s LEU 6 Cb 0.05 -3.19 -0.18 0.00 0.50 0.00 0.00 46.19 43.36 1knf s LEU 6 CO -0.04 -0.46 -0.11 0.61 -1.32 0.00 0.00 176.35 175.02 1knf n GLY 7 N 3.65 -0.42 3.52 7.98 0.00 0.45 -1.10 105.19 119.26 1knf n GLY 7 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1knf n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1knf s TYR 8 N -2.52 0.03 0.02 1.61 -0.85 -1.07 -4.70 117.35 109.86 1knf s TYR 8 Ca -0.33 -0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 55.80 1knf s TYR 8 Cb 0.09 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 1knf s TYR 8 CO 0.62 -0.91 0.05 -1.64 -1.52 0.00 0.00 175.55 172.16 1knf s MET 9 N -3.91 0.43 -0.02 -3.49 -1.94 -0.53 -0.83 119.30 109.01 1knf s MET 9 Ca 0.12 -0.56 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 1knf s MET 9 Cb -0.00 0.17 -0.01 0.00 2.01 0.00 0.00 34.83 36.99 1knf s MET 9 CO -0.00 -0.09 -0.13 0.20 -0.01 0.00 0.00 175.02 174.98 1knf s GLY 10 N -1.57 0.68 -0.02 -0.03 0.00 0.03 -1.65 107.32 104.75 1knf s GLY 10 Ca -0.13 -0.56 0.06 0.00 0.00 0.00 0.00 44.72 44.09 1knf s GLY 10 CO -0.01 -0.40 -0.18 -1.36 0.00 0.00 0.00 173.10 171.15 1knf s PHE 11 N -0.18 2.56 -0.33 1.90 0.40 -0.12 0.30 117.98 122.52 1knf s PHE 11 Ca 0.03 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1knf s PHE 11 Cb -0.07 -1.56 0.06 0.00 0.51 0.00 0.00 43.02 41.96 1knf s PHE 11 CO 0.00 0.13 0.07 0.00 0.70 0.00 0.00 175.22 176.12 1knf s ALA 12 N -0.73 2.95 0.22 5.36 0.00 -0.55 -0.51 121.76 128.50 1knf s ALA 12 Ca 0.12 -1.93 0.10 0.00 0.00 0.00 0.00 51.96 50.25 1knf s ALA 12 Cb -0.10 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1knf s ALA 12 CO 0.01 -1.40 -0.19 0.14 0.00 0.00 0.00 175.76 174.31 1knf s VAL 13 N 1.27 2.14 0.07 0.00 -7.23 0.42 -0.61 120.40 116.46 1knf s VAL 13 Ca -0.01 -2.19 0.09 0.00 -1.81 0.00 0.00 61.98 58.05 1knf s VAL 13 Cb -0.20 -2.11 -0.20 0.00 0.56 0.00 0.00 36.38 34.42 1knf s VAL 13 CO -0.01 -0.38 1.14 0.77 -0.31 0.00 0.00 175.10 176.32 1knf h SER 14 N 2.71 0.00 -3.98 4.85 4.64 -1.72 0.33 113.55 120.39 1knf h SER 14 Ca -0.41 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.28 1knf h SER 14 Cb 1.23 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.91 1knf h SER 14 CO 0.56 0.98 -0.65 -0.62 -0.87 0.00 0.00 176.83 176.23 1knf s ASP 15 N -6.55 4.21 0.32 4.97 -1.08 -1.26 -4.87 116.67 112.41 1knf s ASP 15 Ca -0.00 -3.07 0.02 0.00 -0.52 0.00 0.00 52.55 48.97 1knf s ASP 15 Cb 0.09 -1.50 0.54 0.00 -1.46 0.00 0.00 42.92 40.60 1knf s ASP 15 CO 0.82 -0.21 1.89 0.58 0.52 0.00 0.00 175.17 178.77 1knf h VAL 16 N 5.26 1.20 -0.56 1.11 2.07 -1.92 -2.54 116.25 120.87 1knf h VAL 16 Ca -0.03 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1knf h VAL 16 Cb 0.88 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1knf h VAL 16 CO 0.65 0.25 -0.07 0.00 0.02 0.00 0.00 177.57 178.42 1knf h ALA 17 N 1.47 0.76 -0.73 1.67 0.00 -1.98 -1.16 119.26 119.29 1knf h ALA 17 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1knf h ALA 17 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1knf h ALA 17 CO -0.01 0.65 0.34 0.00 0.00 0.00 0.00 179.25 180.24 1knf h ALA 18 N 0.94 0.94 -0.39 0.00 0.00 -1.91 -2.14 119.26 116.70 1knf h ALA 18 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1knf h ALA 18 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1knf h ALA 18 CO 0.04 0.51 0.11 -1.49 0.00 0.00 0.00 179.25 178.42 1knf h TRP 19 N 1.02 0.65 -0.26 0.00 4.06 -1.24 -0.36 115.95 119.83 1knf h TRP 19 Ca 0.25 -0.07 0.04 0.00 2.06 0.00 0.00 58.89 61.16 1knf h TRP 19 Cb 0.13 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1knf h TRP 19 CO 0.01 0.62 0.04 -0.09 -3.56 0.00 0.00 178.44 175.46 1knf h ARG 20 N 0.49 0.13 -0.65 0.49 2.43 -0.97 0.31 114.38 116.61 1knf h ARG 20 Ca 0.12 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1knf h ARG 20 Cb 0.29 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1knf h ARG 20 CO -0.00 0.09 0.08 1.03 -1.51 0.00 0.00 179.97 179.66 1knf h SER 21 N 0.14 1.06 0.22 -3.80 0.87 -1.31 -2.36 113.55 108.37 1knf h SER 21 Ca 0.12 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1knf h SER 21 Cb 0.12 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1knf h SER 21 CO -0.16 1.06 -0.11 0.15 -0.53 0.00 0.00 176.83 177.25 1knf h PHE 22 N 1.02 -0.27 -0.70 2.24 3.57 -0.54 -1.06 116.94 121.19 1knf h PHE 22 Ca 0.20 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1knf h PHE 22 Cb 0.47 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1knf h PHE 22 CO 0.03 -0.06 0.34 -0.07 -2.23 0.00 0.00 178.31 176.33 1knf h LEU 23 N -0.45 0.91 0.00 0.59 3.38 -0.95 -1.66 115.31 117.14 1knf h LEU 23 Ca -0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1knf h LEU 23 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1knf h LEU 23 CO 0.05 0.79 -0.23 0.71 0.09 0.00 0.00 178.44 179.85 1knf h THR 24 N 0.98 1.17 0.03 0.22 1.35 -1.46 -0.29 112.91 114.91 1knf h THR 24 Ca 0.24 -1.95 -0.23 0.00 -0.55 0.00 0.00 66.41 63.92 1knf h THR 24 Cb 0.11 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1knf h THR 24 CO -0.03 0.40 -0.99 1.56 -0.25 0.00 0.00 175.52 176.21 1knf h GLN 25 N -1.00 0.34 0.00 4.72 4.20 -1.31 -1.99 115.11 120.07 1knf h GLN 25 Ca -0.06 -0.40 -0.21 0.00 0.06 0.00 0.00 58.65 58.04 1knf h GLN 25 Cb 0.80 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1knf h GLN 25 CO -0.03 1.10 -1.20 1.63 -0.67 0.00 0.00 178.83 179.66 1knf n LYS 26 N -3.69 0.55 0.09 1.46 4.76 -0.66 -4.56 118.16 116.10 1knf n LYS 26 Ca -0.06 0.57 0.12 0.00 -2.87 0.00 0.00 58.31 56.06 1knf n LYS 26 Cb 0.87 -1.74 0.08 0.00 -1.84 0.00 0.00 35.03 32.40 1knf n LYS 26 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1knf h LEU 27 N -1.00 0.00 0.00 -0.35 3.38 -1.44 -3.45 115.31 112.46 1knf h LEU 27 Ca -0.32 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1knf h LEU 27 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1knf h LEU 27 CO -0.19 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1knf n GLY 28 N 1.26 0.52 3.79 0.83 0.00 -0.75 -4.91 105.19 105.93 1knf n GLY 28 Ca 0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1knf n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1knf s LEU 29 N 0.00 2.86 -0.19 0.99 1.02 -0.19 -2.00 118.68 121.17 1knf s LEU 29 Ca 0.00 1.56 -0.11 0.00 0.02 0.00 0.00 54.13 55.60 1knf s LEU 29 Cb 0.00 -4.27 -0.05 0.00 0.02 0.00 0.00 46.19 41.89 1knf s LEU 29 CO 0.00 -1.85 0.16 -0.32 0.02 0.00 0.00 176.35 174.35 1knf s MET 30 N -5.03 4.18 -0.01 1.70 -2.45 -0.46 -2.13 119.30 115.10 1knf s MET 30 Ca 0.60 -0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.57 1knf s MET 30 Cb -0.15 -3.42 -0.05 0.00 1.25 0.00 0.00 34.83 32.46 1knf s MET 30 CO 0.55 0.30 1.31 -2.00 1.05 0.00 0.00 175.02 176.23 1knf s GLU 31 N 0.34 4.33 -0.16 4.11 2.12 -1.26 -0.30 118.70 127.87 1knf s GLU 31 Ca 0.09 1.84 0.17 0.00 0.36 0.00 0.00 54.97 57.44 1knf s GLU 31 Cb -0.11 -3.53 0.44 0.00 0.26 0.00 0.00 34.13 31.19 1knf s GLU 31 CO -0.01 -0.49 1.32 0.00 -0.54 0.00 0.00 175.26 175.54 1knf n ALA 32 N 5.09 2.77 0.00 6.30 0.00 0.11 -4.89 120.51 129.89 1knf n ALA 32 Ca 0.12 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1knf n ALA 32 Cb 0.45 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1knf n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1knf n GLY 33 N -0.90 0.35 3.26 0.00 0.00 -1.25 -4.75 105.19 101.91 1knf n GLY 33 Ca 0.20 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 1knf n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1knf s THR 34 N -1.76 2.01 0.00 2.61 2.01 -1.26 -0.42 115.64 118.82 1knf s THR 34 Ca 0.00 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1knf s THR 34 Cb 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1knf s THR 34 CO 0.00 0.56 0.00 0.35 -0.69 0.00 0.00 174.62 174.84 1knf n THR 35 N 2.97 0.00 0.98 -0.82 -2.24 -0.06 -4.96 114.28 110.15 1knf n THR 35 Ca -0.17 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1knf n THR 35 Cb 0.52 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.25 1knf n THR 35 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1knf n ASP 36 N -2.86 0.00 -0.08 3.42 3.85 -1.26 -0.48 116.55 119.13 1knf n ASP 36 Ca 0.00 -0.15 0.12 0.00 -0.71 0.00 0.00 54.79 54.04 1knf n ASP 36 Cb 0.00 -0.21 0.18 0.00 -1.35 0.00 0.00 41.12 39.75 1knf n ASP 36 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1knf n ASN 37 N -1.21 0.81 0.00 -1.12 5.15 -1.26 -5.07 115.26 112.56 1knf n ASN 37 Ca 0.10 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 1knf n ASN 37 Cb 0.13 0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1knf n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1knf n GLY 38 N 1.46 -1.11 3.69 8.20 0.00 0.37 -4.64 105.19 113.16 1knf n GLY 38 Ca 0.07 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1knf n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1knf s ASP 39 N -4.00 7.06 -0.11 1.61 1.11 -0.56 -0.88 116.67 120.91 1knf s ASP 39 Ca 0.00 1.80 -0.04 0.00 0.18 0.00 0.00 52.55 54.49 1knf s ASP 39 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 1knf s ASP 39 CO 0.00 -0.57 0.06 -0.76 1.18 0.00 0.00 175.17 175.07 1knf s LEU 40 N 2.16 3.88 0.00 1.23 1.43 0.43 -0.86 118.68 126.96 1knf s LEU 40 Ca 0.55 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.95 1knf s LEU 40 Cb -0.24 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1knf s LEU 40 CO 0.22 0.37 -0.15 -0.36 0.23 0.00 0.00 176.35 176.66 1knf s PHE 41 N -0.81 1.34 0.19 0.29 0.40 0.14 0.09 117.98 119.62 1knf s PHE 41 Ca 0.13 -0.28 0.09 0.00 -0.60 0.00 0.00 56.93 56.27 1knf s PHE 41 Cb -0.12 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 1knf s PHE 41 CO 0.03 -0.01 -0.10 1.03 0.70 0.00 0.00 175.22 176.87 1knf s ARG 42 N -0.54 2.04 0.00 0.44 0.52 0.59 -0.93 118.95 121.06 1knf s ARG 42 Ca 0.05 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 1knf s ARG 42 Cb -0.06 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1knf s ARG 42 CO -0.00 0.43 0.05 0.44 0.02 0.00 0.00 175.30 176.24 1knf n ILE 43 N -0.01 0.00 -1.45 1.52 -5.35 -1.26 -1.36 119.36 111.45 1knf n ILE 43 Ca -0.11 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1knf n ILE 43 Cb 0.56 1.32 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 1knf n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1knf n ASP 44 N -0.14 0.00 0.24 7.28 5.68 -1.26 -4.45 116.55 123.90 1knf n ASP 44 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.42 1knf n ASP 44 Cb 0.08 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 40.61 1knf n ASP 44 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1knf h SER 45 N 0.00 0.00 -4.05 -1.12 4.64 -1.96 -3.44 113.55 107.63 1knf h SER 45 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1knf h SER 45 Cb 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.23 1knf h SER 45 CO 0.00 0.14 0.60 -0.13 -0.87 0.00 0.00 176.83 176.57 1knf s ARG 46 N -3.68 3.11 0.49 4.77 1.81 -1.26 -0.05 118.95 124.13 1knf s ARG 46 Ca 0.01 2.22 0.20 0.00 -1.72 0.00 0.00 55.73 56.44 1knf s ARG 46 Cb 0.10 -2.23 1.24 0.00 -0.45 0.00 0.00 34.95 33.60 1knf s ARG 46 CO 0.60 -1.21 1.98 0.00 -0.68 0.00 0.00 175.30 175.99 1knf h ALA 47 N 1.40 2.30 -1.78 2.13 0.00 -1.28 -3.44 119.26 118.59 1knf h ALA 47 Ca -0.51 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.47 1knf h ALA 47 Cb 1.30 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.88 1knf h ALA 47 CO 0.57 -0.45 0.50 1.67 0.00 0.00 0.00 179.25 181.54 1knf s TRP 48 N -5.19 -0.39 0.00 0.00 1.48 -1.26 -4.76 118.94 108.82 1knf s TRP 48 Ca -0.06 0.57 0.00 0.00 -1.06 0.00 0.00 56.10 55.55 1knf s TRP 48 Cb 0.20 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.98 1knf s TRP 48 CO 0.74 -0.42 0.00 0.54 -4.06 0.00 0.00 176.95 173.76 1knf n ARG 49 N 0.50 1.78 -4.90 3.25 5.12 -0.11 -4.95 116.66 117.36 1knf n ARG 49 Ca -0.11 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.54 1knf n ARG 49 Cb 0.59 -0.88 -0.17 0.00 -1.16 0.00 0.00 32.46 30.84 1knf n ARG 49 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1knf s ILE 50 N -1.76 1.57 -0.06 0.55 1.01 -1.04 -1.45 121.20 120.01 1knf s ILE 50 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1knf s ILE 50 Cb 0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1knf s ILE 50 CO 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 174.94 175.18 1knf s ALA 51 N 0.31 2.34 -0.18 9.38 0.00 -0.66 -0.68 121.76 132.28 1knf s ALA 51 Ca -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1knf s ALA 51 Cb -0.15 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1knf s ALA 51 CO 0.05 0.43 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 1knf s VAL 52 N -0.25 2.18 0.19 0.00 1.01 -0.04 -0.94 120.40 122.55 1knf s VAL 52 Ca -0.00 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.18 1knf s VAL 52 Cb -0.13 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1knf s VAL 52 CO 0.03 0.53 -0.22 -1.10 0.00 0.00 0.00 175.10 174.34 1knf s GLN 53 N 1.23 1.47 0.21 2.72 -0.21 0.33 -1.49 119.66 123.92 1knf s GLN 53 Ca 0.03 -1.52 -0.30 0.00 0.02 0.00 0.00 55.36 53.60 1knf s GLN 53 Cb -0.13 -1.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.09 1knf s GLN 53 CO -0.10 0.36 1.10 -1.14 -2.12 0.00 0.00 175.29 173.39 1knf s GLN 54 N -2.77 4.61 -0.12 2.91 -0.44 -1.26 -0.43 119.66 122.15 1knf s GLN 54 Ca 0.20 1.75 -0.33 0.00 -2.50 0.00 0.00 55.36 54.49 1knf s GLN 54 Cb -0.07 -3.25 0.12 0.00 -1.64 0.00 0.00 33.01 28.18 1knf s GLN 54 CO 0.09 0.11 1.10 0.20 0.50 0.00 0.00 175.29 177.30 1knf s GLY 55 N -0.35 -0.35 0.08 2.59 0.00 0.12 -4.61 107.32 104.80 1knf s GLY 55 Ca 0.48 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.56 1knf s GLY 55 CO 0.37 0.45 1.16 0.83 0.00 0.00 0.00 173.10 175.90 1knf h GLU 56 N 2.00 0.14 0.00 2.90 4.39 -1.82 -2.34 114.58 119.85 1knf h GLU 56 Ca -0.14 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1knf h GLU 56 Cb 1.19 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1knf h GLU 56 CO 0.26 1.09 -0.08 -0.39 -1.16 0.00 0.00 179.01 178.72 1knf h VAL 57 N 0.04 0.98 -5.96 3.13 -1.51 -1.94 -3.45 116.25 107.53 1knf h VAL 57 Ca -0.09 -0.30 -0.37 0.00 -1.23 0.00 0.00 66.70 64.70 1knf h VAL 57 Cb 1.89 1.16 0.12 0.00 -2.13 0.00 0.00 31.29 32.34 1knf h VAL 57 CO 0.16 0.08 -0.91 0.47 -1.23 0.00 0.00 177.57 176.15 1knf n ASP 58 N -4.32 -5.43 -2.54 4.19 8.00 0.22 -4.97 116.55 111.70 1knf n ASP 58 Ca -0.03 -0.90 -0.05 0.00 0.71 0.00 0.00 54.79 54.52 1knf n ASP 58 Cb 0.16 -4.03 0.02 0.00 -0.02 0.00 0.00 41.12 37.25 1knf n ASP 58 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1knf n ASP 59 N -2.89 -1.61 -4.69 -2.24 -0.08 -0.88 -4.76 116.55 99.40 1knf n ASP 59 Ca -0.10 -2.03 -0.42 0.00 -1.51 0.00 0.00 54.79 50.73 1knf n ASP 59 Cb 0.61 2.66 -0.03 0.00 2.34 0.00 0.00 41.12 46.70 1knf n ASP 59 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1knf s LEU 60 N 0.00 4.32 -0.11 -2.67 2.96 -1.26 -1.48 118.68 120.44 1knf s LEU 60 Ca 0.14 2.17 0.06 0.00 -0.22 0.00 0.00 54.13 56.28 1knf s LEU 60 Cb -0.03 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.86 1knf s LEU 60 CO 0.07 -0.75 0.39 0.00 -1.32 0.00 0.00 176.35 174.74 1knf n ALA 61 N 5.44 1.28 -3.50 5.97 0.00 0.15 -4.85 120.51 125.00 1knf n ALA 61 Ca 0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 1knf n ALA 61 Cb 0.43 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1knf n ALA 61 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1knf s PHE 62 N -2.56 -0.38 0.01 0.00 -0.12 -1.09 -4.20 117.98 109.63 1knf s PHE 62 Ca -0.15 0.30 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 1knf s PHE 62 Cb 0.07 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1knf s PHE 62 CO 0.78 -0.56 -0.07 0.00 -0.05 0.00 0.00 175.22 175.32 1knf s ALA 63 N -2.92 0.55 -0.13 1.99 0.00 -1.11 -0.79 121.76 119.35 1knf s ALA 63 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1knf s ALA 63 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1knf s ALA 63 CO -0.08 0.10 -0.18 0.20 0.00 0.00 0.00 175.76 175.80 1knf s GLY 64 N -0.51 1.44 -0.12 0.00 0.00 -0.01 -1.10 107.32 107.02 1knf s GLY 64 Ca -0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 1knf s GLY 64 CO -0.00 -0.18 0.06 -0.19 0.00 0.00 0.00 173.10 172.79 1knf s TYR 65 N 0.48 3.33 -0.15 1.90 1.51 0.10 -0.41 117.35 124.11 1knf s TYR 65 Ca -0.12 0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 56.10 1knf s TYR 65 Cb -0.16 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 1knf s TYR 65 CO 0.05 0.48 0.21 -2.00 -1.11 0.00 0.00 175.55 173.19 1knf s GLU 66 N -0.62 4.05 0.37 -0.62 2.12 0.23 -1.14 118.70 123.09 1knf s GLU 66 Ca 0.11 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.48 1knf s GLU 66 Cb -0.12 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1knf s GLU 66 CO 0.02 0.40 0.25 0.14 -0.54 0.00 0.00 175.26 175.54 1knf s VAL 67 N 0.02 3.00 0.19 3.70 -7.23 -0.35 -0.17 120.40 119.56 1knf s VAL 67 Ca 0.14 -1.50 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1knf s VAL 67 Cb -0.12 -3.05 -0.11 0.00 0.56 0.00 0.00 36.38 33.66 1knf s VAL 67 CO 0.03 -0.11 1.45 0.00 -0.31 0.00 0.00 175.10 176.16 1knf h ALA 68 N 1.31 0.66 -2.32 1.32 0.00 -1.87 -3.42 119.26 114.93 1knf h ALA 68 Ca -0.43 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 53.83 1knf h ALA 68 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1knf h ALA 68 CO 0.61 0.85 0.15 -0.40 0.00 0.00 0.00 179.25 180.46 1knf n ASP 69 N -3.74 -0.94 0.14 0.00 5.68 -1.26 -4.76 116.55 111.67 1knf n ASP 69 Ca -0.03 -1.62 0.04 0.00 -0.50 0.00 0.00 54.79 52.69 1knf n ASP 69 Cb 0.73 1.55 0.47 0.00 -1.14 0.00 0.00 41.12 42.73 1knf n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1knf h ALA 70 N 2.00 1.68 -0.34 2.12 0.00 -1.97 -1.61 119.26 121.15 1knf h ALA 70 Ca -0.14 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1knf h ALA 70 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1knf h ALA 70 CO 0.18 0.24 -0.32 0.00 0.00 0.00 0.00 179.25 179.35 1knf h ALA 71 N 1.76 0.49 -0.76 0.00 0.00 -1.99 -1.87 119.26 116.90 1knf h ALA 71 Ca 0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1knf h ALA 71 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1knf h ALA 71 CO 0.01 0.54 0.36 0.78 0.00 0.00 0.00 179.25 180.93 1knf h GLY 72 N 0.59 1.17 0.97 0.00 0.00 -1.76 -0.45 103.07 103.58 1knf h GLY 72 Ca 0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1knf h GLY 72 CO 0.08 0.54 0.21 -2.00 0.00 0.00 0.00 176.54 175.38 1knf h LEU 73 N 1.08 0.65 -0.56 3.11 5.85 -1.09 -1.77 115.31 122.57 1knf h LEU 73 Ca 0.26 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1knf h LEU 73 Cb 0.12 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1knf h LEU 73 CO -0.03 0.62 0.34 0.00 -0.34 0.00 0.00 178.44 179.02 1knf h ALA 74 N 1.06 0.71 0.01 1.25 0.00 -0.76 -0.90 119.26 120.63 1knf h ALA 74 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1knf h ALA 74 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1knf h ALA 74 CO -0.02 0.19 -0.09 1.96 0.00 0.00 0.00 179.25 181.30 1knf h GLN 75 N 0.75 -0.15 -0.74 0.00 4.20 -0.80 -1.13 115.11 117.24 1knf h GLN 75 Ca 0.20 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1knf h GLN 75 Cb -0.02 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1knf h GLN 75 CO -0.04 -0.10 0.42 0.52 -0.67 0.00 0.00 178.83 178.96 1knf h MET 76 N -0.16 1.01 -0.73 1.46 2.86 -1.08 0.33 114.93 118.62 1knf h MET 76 Ca 0.03 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1knf h MET 76 Cb 0.19 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1knf h MET 76 CO -0.08 0.74 0.48 0.00 1.06 0.00 0.00 176.91 179.11 1knf h ALA 77 N 1.22 0.93 -0.27 6.32 0.00 -0.96 -0.34 119.26 126.17 1knf h ALA 77 Ca 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1knf h ALA 77 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1knf h ALA 77 CO -0.05 0.34 0.09 0.22 0.00 0.00 0.00 179.25 179.85 1knf h ASP 78 N 0.99 0.38 -0.82 0.00 3.58 -0.66 -1.49 116.42 118.40 1knf h ASP 78 Ca 0.27 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.55 1knf h ASP 78 Cb -0.10 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 1knf h ASP 78 CO -0.06 0.48 0.53 0.50 -2.88 0.00 0.00 179.24 177.81 1knf h LYS 79 N 0.27 1.02 -0.30 0.28 3.64 -0.50 0.14 116.57 121.12 1knf h LYS 79 Ca 0.09 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1knf h LYS 79 Cb 0.23 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1knf h LYS 79 CO -0.00 0.68 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.75 1knf h LEU 80 N 1.06 0.55 -0.35 5.20 3.38 -0.87 -2.37 115.31 121.90 1knf h LEU 80 Ca 0.32 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1knf h LEU 80 Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1knf h LEU 80 CO -0.10 0.75 0.21 0.11 0.09 0.00 0.00 178.44 179.51 1knf h LYS 81 N 0.33 0.48 0.00 1.13 1.57 -0.91 -0.89 116.57 118.28 1knf h LYS 81 Ca 0.08 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1knf h LYS 81 Cb 0.49 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1knf h LYS 81 CO 0.02 0.36 -0.01 1.96 -0.57 0.00 0.00 179.45 181.21 1knf h GLN 82 N 0.46 0.00 -0.01 3.15 1.08 -0.87 0.78 115.11 119.70 1knf h GLN 82 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1knf h GLN 82 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1knf h GLN 82 CO -0.02 0.01 -0.19 0.00 -0.95 0.00 0.00 178.83 177.67 1knf n ALA 83 N -2.23 2.95 -0.82 3.87 0.00 -0.55 -4.93 120.51 118.80 1knf n ALA 83 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1knf n ALA 83 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1knf n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1knf n GLY 84 N 1.30 0.52 3.78 0.00 0.00 0.27 -5.04 105.19 106.02 1knf n GLY 84 Ca 0.14 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1knf n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1knf s ILE 85 N -2.00 4.47 -0.45 -0.61 -1.09 -0.45 -5.01 121.20 116.07 1knf s ILE 85 Ca 0.00 1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 59.71 1knf s ILE 85 Cb 0.00 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1knf s ILE 85 CO 0.00 0.52 1.17 0.00 -1.23 0.00 0.00 174.94 175.40 1knf s ALA 86 N -1.08 3.18 -0.01 9.38 0.00 -1.26 -4.30 121.76 127.66 1knf s ALA 86 Ca 0.34 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1knf s ALA 86 Cb -0.22 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 1knf s ALA 86 CO 0.24 -2.18 -0.08 0.08 0.00 0.00 0.00 175.76 173.82 1knf s VAL 87 N 4.49 3.53 -0.11 0.00 1.01 -1.26 -4.56 120.40 123.49 1knf s VAL 87 Ca 0.49 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1knf s VAL 87 Cb -0.09 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1knf s VAL 87 CO 0.30 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.79 1knf s THR 88 N -0.92 1.68 -0.25 3.92 2.01 -0.09 -4.96 115.64 117.03 1knf s THR 88 Ca 0.15 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 1knf s THR 88 Cb -0.11 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1knf s THR 88 CO 0.05 0.48 1.41 -0.89 -0.69 0.00 0.00 174.62 174.98 1knf s THR 89 N 0.87 3.99 0.34 -0.82 2.01 -1.26 -0.16 115.64 120.61 1knf s THR 89 Ca -0.08 1.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.77 1knf s THR 89 Cb -0.15 -3.96 -0.12 0.00 0.01 0.00 0.00 72.50 68.27 1knf s THR 89 CO -0.01 -0.36 1.29 0.61 -0.69 0.00 0.00 174.62 175.47 1knf n GLY 90 N 4.33 0.58 3.91 4.40 0.00 0.89 -4.93 105.19 114.37 1knf n GLY 90 Ca 0.16 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 1knf n GLY 90 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1knf s ASP 91 N -0.29 5.45 0.42 1.61 -4.77 -1.26 -4.70 116.67 113.14 1knf s ASP 91 Ca 0.56 0.84 0.20 0.00 -3.30 0.00 0.00 52.55 50.84 1knf s ASP 91 Cb -0.58 -1.72 1.14 0.00 -1.09 0.00 0.00 42.92 40.67 1knf s ASP 91 CO 0.62 -1.22 1.82 0.00 0.70 0.00 0.00 175.17 177.09 1knf h ALA 92 N -0.39 2.31 -0.46 2.11 0.00 -1.98 0.82 119.26 121.66 1knf h ALA 92 Ca -0.45 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1knf h ALA 92 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1knf h ALA 92 CO 0.62 -0.64 0.15 1.03 0.00 0.00 0.00 179.25 180.40 1knf h SER 93 N 0.36 0.68 -0.27 0.00 0.87 -1.99 0.87 113.55 114.07 1knf h SER 93 Ca 0.52 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 1knf h SER 93 Cb 1.40 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1knf h SER 93 CO -0.20 0.70 -0.41 0.25 -0.53 0.00 0.00 176.83 176.64 1knf h LEU 94 N 0.61 0.83 -0.64 2.23 5.85 -1.27 -0.98 115.31 121.95 1knf h LEU 94 Ca 0.15 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1knf h LEU 94 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1knf h LEU 94 CO -0.00 1.19 0.40 0.00 -0.34 0.00 0.00 178.44 179.69 1knf h ALA 95 N 0.67 0.82 -0.42 1.25 0.00 -0.98 0.33 119.26 120.93 1knf h ALA 95 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1knf h ALA 95 Cb 1.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1knf h ALA 95 CO 0.10 0.18 -0.17 0.00 0.00 0.00 0.00 179.25 179.35 1knf h ARG 96 N 0.81 0.81 -0.65 0.00 3.08 -0.75 0.94 114.38 118.60 1knf h ARG 96 Ca 0.25 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1knf h ARG 96 Cb -0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1knf h ARG 96 CO -0.09 0.92 0.14 -0.09 -1.07 0.00 0.00 179.97 179.79 1knf h ARG 97 N 0.71 1.04 0.00 0.04 2.43 -0.35 -2.72 114.38 115.53 1knf h ARG 97 Ca 0.11 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1knf h ARG 97 Cb 0.68 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1knf h ARG 97 CO 0.05 0.93 -0.11 0.00 -1.51 0.00 0.00 179.97 179.33 1knf h ARG 98 N 0.99 0.00 -0.64 0.20 2.47 -0.67 -3.42 114.38 113.32 1knf h ARG 98 Ca 0.21 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.84 1knf h ARG 98 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1knf h ARG 98 CO 0.00 0.00 -0.11 0.41 0.56 0.00 0.00 179.97 180.83 1knf n GLY 99 N 1.23 0.20 3.69 0.04 0.00 0.21 -4.87 105.19 105.70 1knf n GLY 99 Ca 0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1knf n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1knf s VAL 100 N -2.23 2.27 -0.03 1.61 -7.23 -0.53 -2.10 120.40 112.16 1knf s VAL 100 Ca 0.00 -1.82 -0.09 0.00 -1.81 0.00 0.00 61.98 58.26 1knf s VAL 100 Cb -0.00 -2.97 -0.31 0.00 0.56 0.00 0.00 36.38 33.66 1knf s VAL 100 CO 0.00 -0.03 0.75 0.74 -0.31 0.00 0.00 175.10 176.25 1knf h THR 101 N 1.58 1.02 -2.26 5.32 2.02 0.06 -3.41 112.91 117.24 1knf h THR 101 Ca -0.43 -2.60 -0.07 0.00 0.77 0.00 0.00 66.41 64.07 1knf h THR 101 Cb 1.25 2.79 -0.19 0.00 -1.74 0.00 0.00 68.15 70.26 1knf h THR 101 CO 0.73 0.84 0.07 -0.83 0.37 0.00 0.00 175.52 176.70 1knf s GLY 102 N -5.02 -0.47 0.07 2.16 0.00 -1.09 -5.02 107.32 97.94 1knf s GLY 102 Ca -0.13 1.08 -0.26 0.00 0.00 0.00 0.00 44.72 45.40 1knf s GLY 102 CO 0.86 0.76 0.65 0.48 0.00 0.00 0.00 173.10 175.85 1knf s LEU 103 N -1.20 -0.59 0.09 0.66 2.34 -1.26 -1.72 118.68 117.00 1knf s LEU 103 Ca -0.11 0.26 0.08 0.00 0.06 0.00 0.00 54.13 54.42 1knf s LEU 103 Cb -0.01 2.53 -0.03 0.00 -0.56 0.00 0.00 46.19 48.11 1knf s LEU 103 CO 0.08 -0.81 -0.21 0.27 -1.06 0.00 0.00 176.35 174.62 1knf s ILE 104 N -2.75 1.75 0.12 1.48 -4.36 -0.32 -0.07 121.20 117.05 1knf s ILE 104 Ca -0.03 -1.47 0.10 0.00 -0.26 0.00 0.00 60.65 58.98 1knf s ILE 104 Cb -0.01 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1knf s ILE 104 CO -0.04 0.03 -0.23 0.42 0.24 0.00 0.00 174.94 175.35 1knf s THR 105 N -1.06 1.98 0.04 8.37 -4.23 0.78 -1.56 115.64 119.96 1knf s THR 105 Ca 0.07 -1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1knf s THR 105 Cb -0.10 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1knf s THR 105 CO 0.04 -0.02 0.33 2.22 -0.54 0.00 0.00 174.62 176.65 1knf n PHE 106 N 0.92 -0.64 -4.11 3.99 1.16 -0.61 -0.91 117.46 117.25 1knf n PHE 106 Ca -0.18 -0.34 -0.12 0.00 -1.87 0.00 0.00 57.45 54.94 1knf n PHE 106 Cb 0.54 0.16 -0.11 0.00 -1.61 0.00 0.00 39.48 38.46 1knf n PHE 106 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1knf s ALA 107 N -1.31 0.75 0.87 1.98 0.00 -1.26 -0.08 121.76 122.70 1knf s ALA 107 Ca 0.08 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1knf s ALA 107 Cb -0.01 0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.32 1knf s ALA 107 CO 0.01 -0.11 1.15 0.16 0.00 0.00 0.00 175.76 176.97 1knf s ASP 108 N -2.21 3.92 0.54 0.00 -4.77 0.07 -4.89 116.67 109.33 1knf s ASP 108 Ca -0.01 0.90 0.22 0.00 -3.30 0.00 0.00 52.55 50.36 1knf s ASP 108 Cb -0.03 -1.44 1.18 0.00 -1.09 0.00 0.00 42.92 41.53 1knf s ASP 108 CO -0.02 -2.29 1.63 -0.65 0.70 0.00 0.00 175.17 174.54 1knf h PRO 109 N -1.32 0.00 -0.16 2.11 0.11 -1.95 -1.27 132.00 129.53 1knf h PRO 109 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1knf h PRO 109 Cb 1.33 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1knf h PRO 109 CO 0.64 0.00 -0.18 1.19 -0.21 0.00 0.00 178.00 179.44 1knf n PHE 110 N -2.55 0.51 -0.77 0.65 3.01 -1.26 -4.99 117.46 112.05 1knf n PHE 110 Ca -0.01 -1.34 0.00 0.00 1.01 0.00 0.00 57.45 57.11 1knf n PHE 110 Cb 0.40 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1knf n PHE 110 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1knf n GLY 111 N -1.10 0.61 3.67 1.37 0.00 -0.48 -5.04 105.19 104.22 1knf n GLY 111 Ca 0.24 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1knf n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1knf s LEU 112 N 0.00 4.17 0.06 0.99 2.96 -1.26 -4.82 118.68 120.78 1knf s LEU 112 Ca 0.00 1.10 -0.31 0.00 -0.22 0.00 0.00 54.13 54.71 1knf s LEU 112 Cb 0.00 -3.16 -0.07 0.00 0.50 0.00 0.00 46.19 43.46 1knf s LEU 112 CO 0.00 -0.37 1.50 -2.84 -1.32 0.00 0.00 176.35 173.32 1knf s PRO 113 N 2.09 4.25 0.14 0.98 0.02 -1.26 -0.75 135.00 140.47 1knf s PRO 113 Ca 0.36 2.14 0.10 0.00 0.02 0.00 0.00 61.00 63.62 1knf s PRO 113 Cb -0.16 -3.50 -0.04 0.00 0.02 0.00 0.00 34.50 30.82 1knf s PRO 113 CO 0.12 -0.61 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.43 1knf s LEU 114 N 2.19 2.35 -0.00 -5.54 1.43 0.88 -2.75 118.68 117.24 1knf s LEU 114 Ca 0.68 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1knf s LEU 114 Cb -0.36 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 1knf s LEU 114 CO 0.29 0.10 -0.05 -1.61 0.23 0.00 0.00 176.35 175.32 1knf s GLU 115 N -2.21 0.43 -0.11 1.70 2.02 -0.25 -1.58 118.70 118.69 1knf s GLU 115 Ca 0.13 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 54.95 1knf s GLU 115 Cb -0.09 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1knf s GLU 115 CO 0.06 0.11 -0.22 0.42 0.02 0.00 0.00 175.26 175.65 1knf s ILE 116 N -0.16 2.00 0.25 -1.63 1.01 -0.60 0.03 121.20 122.09 1knf s ILE 116 Ca 0.02 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1knf s ILE 116 Cb -0.02 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1knf s ILE 116 CO -0.00 0.54 0.22 -0.72 0.00 0.00 0.00 174.94 174.98 1knf s TYR 117 N 0.54 1.31 0.06 3.97 -0.85 -0.29 -1.18 117.35 120.91 1knf s TYR 117 Ca -0.14 -1.43 -0.08 0.00 -0.52 0.00 0.00 57.07 54.90 1knf s TYR 117 Cb -0.17 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.63 1knf s TYR 117 CO 0.05 -0.77 0.15 1.52 -1.52 0.00 0.00 175.55 174.98 1knf s TYR 118 N -3.85 0.17 -0.63 -3.49 -0.85 -0.70 -1.21 117.35 106.79 1knf s TYR 118 Ca 0.38 -0.52 -0.01 0.00 -0.52 0.00 0.00 57.07 56.40 1knf s TYR 118 Cb 0.05 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 1knf s TYR 118 CO 0.18 -0.46 0.53 0.41 -1.52 0.00 0.00 175.55 174.69 1knf n GLY 119 N 0.33 -0.07 3.76 5.49 0.00 -1.26 -1.41 105.19 112.04 1knf n GLY 119 Ca -0.17 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1knf n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1knf s ALA 120 N -3.20 1.96 -0.05 4.61 0.00 -1.26 -1.21 121.76 122.61 1knf s ALA 120 Ca 0.08 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1knf s ALA 120 Cb -0.01 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1knf s ALA 120 CO 0.40 -1.98 0.58 -1.12 0.00 0.00 0.00 175.76 173.64 1knf s SER 121 N -3.65 6.89 0.08 0.00 0.01 -0.89 -4.93 113.70 111.20 1knf s SER 121 Ca 0.62 1.07 0.02 0.00 1.31 0.00 0.00 55.95 58.96 1knf s SER 121 Cb -0.16 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1knf s SER 121 CO 0.56 0.03 0.16 -1.61 0.41 0.00 0.00 173.24 172.78 1knf s GLU 122 N 0.22 3.19 -0.40 12.44 0.41 -1.26 -0.84 118.70 132.46 1knf s GLU 122 Ca 0.31 -0.56 0.11 0.00 -0.41 0.00 0.00 54.97 54.41 1knf s GLU 122 Cb -0.17 -2.89 0.34 0.00 -1.78 0.00 0.00 34.13 29.63 1knf s GLU 122 CO 0.15 0.58 0.75 1.33 -0.49 0.00 0.00 175.26 177.58 1knf n VAL 123 N 0.30 0.22 0.28 2.63 0.24 0.93 -4.74 118.33 118.20 1knf n VAL 123 Ca -0.07 -4.69 0.13 0.00 -2.04 0.00 0.00 64.34 57.67 1knf n VAL 123 Cb 0.51 -0.50 0.81 0.00 -1.47 0.00 0.00 33.84 33.20 1knf n VAL 123 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1knf h PHE 124 N 3.06 0.00 0.00 6.34 -1.00 -1.98 -1.66 116.94 121.70 1knf h PHE 124 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1knf h PHE 124 Cb 0.91 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.47 1knf h PHE 124 CO 0.50 0.04 0.00 -0.85 -1.61 0.00 0.00 178.31 176.39 1knf n GLU 125 N -3.93 0.08 -3.75 1.51 0.00 -1.26 -3.64 120.64 109.65 1knf n GLU 125 Ca -0.03 0.25 -0.28 0.00 0.00 0.00 0.00 57.16 57.11 1knf n GLU 125 Cb 0.13 -1.63 -0.11 0.00 0.00 0.00 0.00 31.44 29.83 1knf n GLU 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1knf n LYS 126 N -1.77 1.92 -1.60 3.44 5.02 -0.62 -5.09 118.16 119.45 1knf n LYS 126 Ca 0.04 -4.46 -0.49 0.00 -2.02 0.00 0.00 58.31 51.38 1knf n LYS 126 Cb 0.24 -2.24 -0.04 0.00 -0.02 0.00 0.00 35.03 32.97 1knf n LYS 126 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1knf n PRO 127 N 1.71 1.32 -1.69 1.97 -0.04 -1.24 -4.88 135.00 132.16 1knf n PRO 127 Ca 0.23 0.47 -0.45 0.00 -0.04 0.00 0.00 63.50 63.71 1knf n PRO 127 Cb 0.37 -2.04 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1knf n PRO 127 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1knf n PHE 128 N 1.87 2.43 -3.71 0.54 7.35 -1.26 -4.99 117.46 119.68 1knf n PHE 128 Ca 0.15 0.21 -0.27 0.00 -0.76 0.00 0.00 57.45 56.78 1knf n PHE 128 Cb 0.24 -2.58 -0.17 0.00 0.35 0.00 0.00 39.48 37.33 1knf n PHE 128 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1knf s LEU 129 N 0.93 0.93 0.60 -2.13 2.96 -1.26 -5.12 118.68 115.59 1knf s LEU 129 Ca 0.77 -0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 53.81 1knf s LEU 129 Cb -0.62 -0.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 1knf s LEU 129 CO 0.37 -0.30 1.20 -2.16 -1.32 0.00 0.00 176.35 174.13 1knf s PRO 130 N 1.93 2.96 0.00 0.98 0.04 -1.26 -4.49 135.00 135.17 1knf s PRO 130 Ca 0.00 1.79 0.23 0.00 0.04 0.00 0.00 61.00 63.06 1knf s PRO 130 Cb -0.16 -1.93 1.01 0.00 0.04 0.00 0.00 34.50 33.45 1knf s PRO 130 CO -0.08 -1.20 1.74 0.41 0.04 0.00 0.00 177.00 177.91 1knf n GLY 131 N 0.43 -1.26 3.44 0.56 0.00 -0.85 -4.81 105.19 102.70 1knf n GLY 131 Ca 0.13 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1knf n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1knf s ALA 132 N -2.95 0.11 -0.70 4.61 0.00 -1.22 -4.49 121.76 117.13 1knf s ALA 132 Ca 0.12 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.78 1knf s ALA 132 Cb 0.15 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 1knf s ALA 132 CO 0.41 -0.74 1.91 0.00 0.00 0.00 0.00 175.76 177.33 1knf s ALA 133 N -4.03 1.99 -0.06 0.00 0.00 -1.26 -4.80 121.76 113.60 1knf s ALA 133 Ca 0.24 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1knf s ALA 133 Cb 0.02 -4.38 0.02 0.00 0.00 0.00 0.00 23.12 18.78 1knf s ALA 133 CO 0.07 -4.21 -0.05 0.08 0.00 0.00 0.00 175.76 171.65 1knf s VAL 134 N 9.53 0.61 0.37 0.00 1.01 -1.26 -4.87 120.40 125.79 1knf s VAL 134 Ca 0.69 -0.13 0.13 0.00 0.00 0.00 0.00 61.98 62.68 1knf s VAL 134 Cb -0.11 -0.65 0.11 0.00 0.00 0.00 0.00 36.38 35.73 1knf s VAL 134 CO 0.14 0.26 1.84 0.77 0.00 0.00 0.00 175.10 178.12 1knf h SER 135 N 7.48 0.00 0.00 3.32 4.64 -1.97 -3.46 113.55 123.56 1knf h SER 135 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1knf h SER 135 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1knf h SER 135 CO 0.42 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 1knf n GLY 136 N -0.50 2.40 3.58 -0.77 0.00 -1.26 -4.95 105.19 103.70 1knf n GLY 136 Ca -0.02 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1knf n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1knf s PHE 137 N -2.00 2.81 -0.37 1.61 0.40 -1.26 -0.65 117.98 118.52 1knf s PHE 137 Ca 0.00 -0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 56.06 1knf s PHE 137 Cb 0.00 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1knf s PHE 137 CO 0.00 0.39 0.46 -0.51 0.70 0.00 0.00 175.22 176.26 1knf s LEU 138 N -1.79 4.52 0.00 -0.37 1.02 0.45 -4.83 118.68 117.68 1knf s LEU 138 Ca 0.19 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.06 1knf s LEU 138 Cb -0.11 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.63 1knf s LEU 138 CO 0.11 -0.49 0.00 0.35 0.02 0.00 0.00 176.35 176.34 1knf n THR 139 N 5.40 0.00 -3.40 5.49 -2.24 -1.26 -4.65 114.28 113.62 1knf n THR 139 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1knf n THR 139 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1knf n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1knf n GLY 140 N 2.37 2.92 0.07 3.38 0.00 -1.26 -1.32 105.19 111.35 1knf n GLY 140 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1knf n GLY 140 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1knf n GLU 141 N 14.00 0.09 0.00 1.61 0.28 -1.26 -1.47 120.64 133.89 1knf n GLU 141 Ca 0.00 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.54 1knf n GLU 141 Cb 0.00 -1.71 0.44 0.00 1.43 0.00 0.00 31.44 31.61 1knf n GLU 141 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1knf n GLN 142 N -1.89 0.70 0.00 3.44 6.02 -0.44 -4.73 117.38 120.48 1knf n GLN 142 Ca 0.02 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 1knf n GLN 142 Cb 0.15 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1knf n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1knf n GLY 143 N 1.34 -0.80 0.18 1.08 0.00 -0.54 -4.35 105.19 102.10 1knf n GLY 143 Ca 0.12 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1knf n GLY 143 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1knf h LEU 144 N 0.00 0.50 0.00 0.99 5.85 -1.39 -3.38 115.31 117.88 1knf h LEU 144 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1knf h LEU 144 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1knf h LEU 144 CO 0.00 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 1knf n GLY 145 N -0.99 -0.27 3.54 3.75 0.00 -1.26 -4.62 105.19 105.34 1knf n GLY 145 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1knf n GLY 145 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1knf s HIS 146 N -1.83 0.39 0.02 1.61 -3.43 -1.21 -4.60 115.29 106.25 1knf s HIS 146 Ca 0.00 -0.74 -0.15 0.00 -0.80 0.00 0.00 55.06 53.37 1knf s HIS 146 Cb 0.00 0.13 0.02 0.00 -1.43 0.00 0.00 32.58 31.30 1knf s HIS 146 CO 0.00 -0.94 0.32 -0.59 -2.00 0.00 0.00 174.74 171.52 1knf s PHE 147 N -4.02 -0.14 -0.30 0.38 -0.12 -1.15 -0.02 117.98 112.62 1knf s PHE 147 Ca 0.22 0.10 -0.10 0.00 -0.05 0.00 0.00 56.93 57.10 1knf s PHE 147 Cb 0.00 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1knf s PHE 147 CO 0.08 -0.47 0.17 0.08 -0.05 0.00 0.00 175.22 175.03 1knf s VAL 148 N -2.11 4.94 -0.30 -2.49 1.01 -0.61 -2.21 120.40 118.64 1knf s VAL 148 Ca -0.08 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1knf s VAL 148 Cb -0.02 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1knf s VAL 148 CO -0.00 0.15 0.67 -0.60 0.00 0.00 0.00 175.10 175.32 1knf s ARG 149 N 1.69 3.96 -0.04 2.72 6.06 0.19 -0.89 118.95 132.64 1knf s ARG 149 Ca 0.06 0.43 -0.25 0.00 -2.50 0.00 0.00 55.73 53.47 1knf s ARG 149 Cb -0.16 -3.71 -0.04 0.00 0.06 0.00 0.00 34.95 31.09 1knf s ARG 149 CO 0.08 -0.57 0.76 0.00 -2.50 0.00 0.00 175.30 173.07 1knf s VAL 151 N 0.68 0.61 -0.39 0.00 -7.23 -0.62 -4.81 120.40 108.64 1knf s VAL 151 Ca 0.40 -1.58 0.22 0.00 -1.81 0.00 0.00 61.98 59.21 1knf s VAL 151 Cb -0.19 -1.24 0.27 0.00 0.56 0.00 0.00 36.38 35.78 1knf s VAL 151 CO 0.21 -0.68 1.52 1.55 -0.31 0.00 0.00 175.10 177.38 1knf h PRO 152 N 3.59 0.00 -2.72 4.82 0.13 -1.92 -3.34 132.00 132.57 1knf h PRO 152 Ca -0.35 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.30 1knf h PRO 152 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 1knf h PRO 152 CO 0.55 0.05 -0.75 0.34 -0.23 0.00 0.00 178.00 177.97 1knf s ASP 153 N -6.14 2.97 0.31 1.44 -1.08 -1.26 -4.97 116.67 107.95 1knf s ASP 153 Ca 0.06 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 1knf s ASP 153 Cb 0.06 -0.17 0.50 0.00 -1.46 0.00 0.00 42.92 41.85 1knf s ASP 153 CO 0.69 -0.41 1.91 0.28 0.52 0.00 0.00 175.17 178.16 1knf h SER 154 N 8.38 0.77 -0.51 -0.34 0.02 -1.93 -2.37 113.55 117.57 1knf h SER 154 Ca -0.18 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.58 1knf h SER 154 Cb 1.05 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1knf h SER 154 CO 0.39 0.66 -0.12 0.44 -1.14 0.00 0.00 176.83 177.07 1knf h ASP 155 N 0.85 0.98 -0.46 3.07 3.45 -1.98 0.22 116.42 122.55 1knf h ASP 155 Ca 0.21 -0.36 -0.09 0.00 0.43 0.00 0.00 57.03 57.22 1knf h ASP 155 Cb 0.10 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1knf h ASP 155 CO -0.03 1.11 -0.08 0.50 -1.57 0.00 0.00 179.24 179.17 1knf h LYS 156 N 0.84 0.86 -0.50 3.56 3.64 -1.96 -1.91 116.57 121.10 1knf h LYS 156 Ca 0.13 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1knf h LYS 156 Cb 0.68 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1knf h LYS 156 CO 0.05 0.95 0.15 0.00 -2.27 0.00 0.00 179.45 178.33 1knf h ALA 157 N 0.88 0.65 -0.49 5.00 0.00 -1.21 -2.66 119.26 121.43 1knf h ALA 157 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1knf h ALA 157 Cb 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1knf h ALA 157 CO 0.04 0.31 0.30 -0.07 0.00 0.00 0.00 179.25 179.82 1knf h LEU 158 N 0.67 0.48 -0.38 0.00 3.38 -0.41 -1.36 115.31 117.70 1knf h LEU 158 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1knf h LEU 158 Cb 0.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1knf h LEU 158 CO -0.00 0.34 0.23 0.00 0.09 0.00 0.00 178.44 179.10 1knf h ALA 159 N 1.22 0.48 0.25 1.53 0.00 -1.26 -0.62 119.26 120.86 1knf h ALA 159 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1knf h ALA 159 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1knf h ALA 159 CO -0.09 -0.03 -0.12 0.35 0.00 0.00 0.00 179.25 179.37 1knf h PHE 160 N 0.50 -0.31 -0.19 0.00 3.57 -1.21 0.34 116.94 119.63 1knf h PHE 160 Ca 0.14 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1knf h PHE 160 Cb -0.01 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1knf h PHE 160 CO -0.04 -0.15 -0.25 1.88 -2.23 0.00 0.00 178.31 177.52 1knf h TYR 161 N -0.38 0.40 0.00 0.41 -1.99 -1.17 -1.04 116.97 113.20 1knf h TYR 161 Ca -0.03 -0.08 -0.14 0.00 2.00 0.00 0.00 58.73 60.48 1knf h TYR 161 Cb 0.29 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1knf h TYR 161 CO -0.05 0.59 -0.96 0.25 -0.00 0.00 0.00 178.16 178.00 1knf n THR 162 N -4.14 1.48 -0.05 -2.88 -2.24 -0.25 -1.39 114.28 104.81 1knf n THR 162 Ca -0.01 0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1knf n THR 162 Cb 0.39 -2.19 0.03 0.00 -2.10 0.00 0.00 70.33 66.45 1knf n THR 162 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1knf h ASP 163 N -1.00 0.79 0.00 3.42 3.32 -1.05 -1.50 116.42 120.40 1knf h ASP 163 Ca -0.20 -0.38 -0.21 0.00 0.02 0.00 0.00 57.03 56.25 1knf h ASP 163 Cb 0.96 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1knf h ASP 163 CO -0.12 1.13 -1.39 0.52 -1.72 0.00 0.00 179.24 177.65 1knf n VAL 164 N -4.02 1.50 0.63 -1.35 0.31 -0.51 -4.50 118.33 110.39 1knf n VAL 164 Ca -0.03 -0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.39 1knf n VAL 164 Cb 0.56 -2.11 0.42 0.00 -0.91 0.00 0.00 33.84 31.80 1knf n VAL 164 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1knf n LEU 165 N -4.43 0.78 0.00 7.52 4.77 -0.52 -4.85 117.00 120.28 1knf n LEU 165 Ca -0.30 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1knf n LEU 165 Cb 0.62 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1knf n LEU 165 CO 0.13 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1knf n GLY 166 N 1.24 0.58 3.77 -0.72 0.00 -0.57 -4.63 105.19 104.87 1knf n GLY 166 Ca 0.05 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1knf n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1knf s PHE 167 N -2.00 2.63 0.04 1.61 0.40 -0.49 -4.94 117.98 115.23 1knf s PHE 167 Ca 0.00 1.55 0.07 0.00 -0.60 0.00 0.00 56.93 57.94 1knf s PHE 167 Cb 0.00 -3.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 1knf s PHE 167 CO 0.00 -1.66 -0.16 -0.65 0.70 0.00 0.00 175.22 173.44 1knf s GLN 168 N -3.89 2.13 0.18 0.44 -1.52 -0.20 -4.35 119.66 112.45 1knf s GLN 168 Ca 0.68 -0.95 -0.30 0.00 -1.95 0.00 0.00 55.36 52.84 1knf s GLN 168 Cb -0.21 -2.23 -0.08 0.00 -0.22 0.00 0.00 33.01 30.26 1knf s GLN 168 CO 0.38 0.55 1.13 -1.17 -0.25 0.00 0.00 175.29 175.92 1knf s LEU 169 N -1.48 4.48 -0.19 2.90 2.96 -1.26 -0.44 118.68 125.65 1knf s LEU 169 Ca 0.15 2.14 -0.15 0.00 -0.22 0.00 0.00 54.13 56.05 1knf s LEU 169 Cb -0.11 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1knf s LEU 169 CO 0.06 -0.26 -0.27 -1.20 -1.32 0.00 0.00 176.35 173.35 1knf n SER 170 N 2.35 1.90 -3.38 3.68 7.64 0.13 -4.82 113.62 121.11 1knf n SER 170 Ca 0.03 0.42 -0.05 0.00 1.01 0.00 0.00 58.87 60.28 1knf n SER 170 Cb 0.46 -0.80 0.01 0.00 -1.01 0.00 0.00 64.21 62.87 1knf n SER 170 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1knf s ASP 171 N -6.14 -0.05 0.01 6.43 1.47 -1.19 -3.87 116.67 113.33 1knf s ASP 171 Ca -0.27 -0.72 0.04 0.00 1.18 0.00 0.00 52.55 52.79 1knf s ASP 171 Cb 0.05 0.59 -0.01 0.00 -0.34 0.00 0.00 42.92 43.21 1knf s ASP 171 CO 0.39 -1.15 -0.12 -0.69 0.68 0.00 0.00 175.17 174.28 1knf s VAL 172 N -2.56 0.97 -0.13 2.11 1.01 -0.89 -1.78 120.40 119.13 1knf s VAL 172 Ca 0.18 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1knf s VAL 172 Cb -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1knf s VAL 172 CO 0.06 0.15 -0.17 -0.63 0.00 0.00 0.00 175.10 174.52 1knf s ILE 173 N -0.50 1.69 -0.70 2.22 1.01 -0.64 -1.07 121.20 123.20 1knf s ILE 173 Ca 0.03 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 1knf s ILE 173 Cb -0.06 -1.53 0.06 0.00 0.01 0.00 0.00 42.46 40.94 1knf s ILE 173 CO 0.00 0.48 1.07 -1.81 0.00 0.00 0.00 174.94 174.68 1knf s ASP 174 N 1.08 6.20 -0.36 3.58 1.01 -0.53 -0.76 116.67 126.89 1knf s ASP 174 Ca -0.03 -0.92 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 1knf s ASP 174 Cb -0.14 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1knf s ASP 174 CO -0.04 -1.53 1.24 -0.04 0.21 0.00 0.00 175.17 175.01 1knf s MET 175 N 4.44 3.85 -0.63 8.23 -1.94 0.49 -4.57 119.30 129.17 1knf s MET 175 Ca 0.27 1.02 -0.25 0.00 -1.71 0.00 0.00 55.69 55.02 1knf s MET 175 Cb -0.14 -3.88 0.04 0.00 2.01 0.00 0.00 34.83 32.87 1knf s MET 175 CO 0.10 -1.20 1.08 0.15 -0.01 0.00 0.00 175.02 175.14 1knf s LYS 176 N 4.24 3.28 -0.90 2.03 1.02 -1.26 -0.42 119.74 127.72 1knf s LYS 176 Ca 0.53 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 1knf s LYS 176 Cb -0.13 -4.12 0.23 0.00 -0.52 0.00 0.00 37.83 33.29 1knf s LYS 176 CO 0.25 -1.78 0.84 -1.33 -0.92 0.00 0.00 175.35 172.41 1knf n MET 177 N 8.21 2.77 0.00 1.68 2.81 0.48 -4.99 117.12 128.07 1knf n MET 177 Ca 0.02 -4.50 0.00 0.00 -1.81 0.00 0.00 57.70 51.41 1knf n MET 177 Cb 0.48 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 30.58 1knf n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1knf n GLY 178 N 2.13 -0.49 0.25 3.03 0.00 -1.25 -3.93 105.19 104.93 1knf n GLY 178 Ca 0.23 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.59 1knf n GLY 178 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1knf h PRO 179 N 0.00 0.41 -0.71 1.61 0.11 -2.03 -2.69 132.00 128.70 1knf h PRO 179 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1knf h PRO 179 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1knf h PRO 179 CO 0.00 0.27 0.00 -3.47 -0.21 0.00 0.00 178.00 174.59 1knf n ASP 180 N -4.99 4.36 -3.75 -2.05 4.64 -1.26 -4.90 116.55 108.59 1knf n ASP 180 Ca 0.10 -2.19 -0.21 0.00 -1.38 0.00 0.00 54.79 51.11 1knf n ASP 180 Cb 0.31 -0.54 -0.17 0.00 -1.04 0.00 0.00 41.12 39.68 1knf n ASP 180 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1knf s VAL 181 N -1.36 0.20 -0.07 5.18 1.01 -1.01 -5.10 120.40 119.25 1knf s VAL 181 Ca 0.51 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 1knf s VAL 181 Cb 0.29 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.32 1knf s VAL 181 CO 0.30 0.22 -0.00 -0.89 0.00 0.00 0.00 175.10 174.73 1knf s THR 182 N 1.87 0.39 -0.16 3.92 2.01 -1.26 -0.39 115.64 122.01 1knf s THR 182 Ca 0.02 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1knf s THR 182 Cb -0.12 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1knf s THR 182 CO -0.04 0.25 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.29 1knf s VAL 183 N 1.77 2.55 0.09 3.82 1.01 0.44 -4.93 120.40 125.15 1knf s VAL 183 Ca 0.02 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1knf s VAL 183 Cb -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1knf s VAL 183 CO -0.04 0.51 0.98 -2.16 0.00 0.00 0.00 175.10 174.39 1knf s PRO 184 N 0.97 4.66 -0.17 2.72 0.04 -1.26 -0.38 135.00 141.58 1knf s PRO 184 Ca -0.02 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 1knf s PRO 184 Cb -0.15 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1knf s PRO 184 CO -0.03 0.15 -0.04 0.00 0.04 0.00 0.00 177.00 177.12 1knf s ALA 185 N 0.19 2.94 -0.20 8.56 0.00 0.06 -4.45 121.76 128.86 1knf s ALA 185 Ca 0.48 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1knf s ALA 185 Cb -0.23 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1knf s ALA 185 CO 0.30 0.05 0.08 0.71 0.00 0.00 0.00 175.76 176.90 1knf s TYR 186 N 0.66 3.26 -0.22 0.00 1.51 0.36 -1.62 117.35 121.29 1knf s TYR 186 Ca -0.02 0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.05 1knf s TYR 186 Cb -0.14 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 1knf s TYR 186 CO 0.02 0.11 0.02 -0.06 -1.11 0.00 0.00 175.55 174.53 1knf s PHE 187 N 0.58 3.04 0.07 2.71 0.40 -0.73 -0.12 117.98 123.93 1knf s PHE 187 Ca 0.04 -0.54 0.09 0.00 -0.60 0.00 0.00 56.93 55.91 1knf s PHE 187 Cb -0.13 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1knf s PHE 187 CO 0.01 -0.35 -0.22 -0.51 0.70 0.00 0.00 175.22 174.85 1knf s LEU 188 N 1.35 2.47 0.19 -0.37 1.43 0.73 0.17 118.68 124.65 1knf s LEU 188 Ca 0.05 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1knf s LEU 188 Cb -0.15 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1knf s LEU 188 CO 0.01 0.23 -0.16 -1.38 0.23 0.00 0.00 176.35 175.29 1knf s HIS 189 N -0.96 1.75 0.00 0.29 -3.43 0.42 -0.61 115.29 112.75 1knf s HIS 189 Ca 0.14 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 1knf s HIS 189 Cb -0.10 -0.83 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1knf s HIS 189 CO 0.05 0.36 0.41 0.00 -2.00 0.00 0.00 174.74 173.56 1knf n ASN 191 N -0.08 0.00 0.21 0.00 0.23 -1.26 -4.65 115.26 109.71 1knf n ASN 191 Ca 0.00 -0.16 0.05 0.00 -0.53 0.00 0.00 54.58 53.94 1knf n ASN 191 Cb 0.32 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.50 1knf n ASN 191 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1knf h GLU 192 N 0.00 0.03 -6.60 -3.83 5.08 -1.85 -3.44 114.58 103.98 1knf h GLU 192 Ca 0.00 -0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1knf h GLU 192 Cb 0.00 -0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.30 1knf h GLU 192 CO 0.00 0.22 0.93 -2.13 -1.00 0.00 0.00 179.01 177.03 1knf n ARG 193 N -4.31 2.54 -0.31 2.33 0.63 -1.26 -0.63 116.66 115.65 1knf n ARG 193 Ca -0.02 0.92 0.01 0.00 -0.92 0.00 0.00 57.85 57.84 1knf n ARG 193 Cb 0.25 -2.73 0.08 0.00 0.45 0.00 0.00 32.46 30.51 1knf n ARG 193 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1knf h HIS 194 N 6.44 -0.69 -3.01 -0.14 -0.00 -1.85 -3.40 115.15 112.50 1knf h HIS 194 Ca -0.44 0.08 -0.16 0.00 -0.00 0.00 0.00 60.37 59.86 1knf h HIS 194 Cb 1.22 0.43 -0.26 0.00 -0.00 0.00 0.00 27.41 28.80 1knf h HIS 194 CO 0.63 -0.39 -0.40 -3.38 -0.00 0.00 0.00 177.93 174.40 1knf s HIS 195 N -6.14 -0.34 -0.06 5.26 0.00 -1.26 -4.18 115.29 108.57 1knf s HIS 195 Ca -0.14 0.81 0.20 0.00 -3.00 0.00 0.00 55.06 52.93 1knf s HIS 195 Cb 0.22 0.11 -0.30 0.00 -4.00 0.00 0.00 32.58 28.61 1knf s HIS 195 CO 0.74 -0.19 0.37 2.41 -1.00 0.00 0.00 174.74 177.08 1knf n THR 196 N 3.36 0.25 -3.81 -5.38 -1.04 0.22 -4.56 114.28 103.32 1knf n THR 196 Ca -0.17 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.05 61.19 1knf n THR 196 Cb 0.57 -0.07 -0.12 0.00 -1.82 0.00 0.00 70.33 68.89 1knf n THR 196 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1knf s LEU 197 N -4.61 1.32 0.04 -4.42 2.96 -1.05 -2.93 118.68 109.99 1knf s LEU 197 Ca -0.08 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1knf s LEU 197 Cb 0.12 0.65 -0.02 0.00 0.50 0.00 0.00 46.19 47.43 1knf s LEU 197 CO 0.84 -0.10 -0.14 0.00 -1.32 0.00 0.00 176.35 175.62 1knf s ALA 198 N -0.08 1.21 -0.06 5.97 0.00 -0.94 -0.19 121.76 127.67 1knf s ALA 198 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1knf s ALA 198 Cb -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1knf s ALA 198 CO 0.00 0.23 -0.15 0.42 0.00 0.00 0.00 175.76 176.27 1knf s ILE 199 N -0.86 1.30 -0.13 0.00 1.01 0.83 -0.64 121.20 122.72 1knf s ILE 199 Ca 0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 1knf s ILE 199 Cb -0.08 -1.15 0.05 0.00 0.01 0.00 0.00 42.46 41.29 1knf s ILE 199 CO 0.01 0.39 0.50 0.00 0.00 0.00 0.00 174.94 175.84 1knf s ALA 200 N 0.43 -1.25 -1.34 9.38 0.00 -1.00 -0.48 121.76 127.49 1knf s ALA 200 Ca -0.12 1.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 1knf s ALA 200 Cb -0.14 -0.50 0.12 0.00 0.00 0.00 0.00 23.12 22.59 1knf s ALA 200 CO 0.04 -0.27 2.17 0.00 0.00 0.00 0.00 175.76 177.70 1knf n ALA 201 N 2.15 6.04 -2.27 0.00 0.00 -1.25 -1.60 120.51 123.58 1knf n ALA 201 Ca -0.16 -4.13 -0.35 0.00 0.00 0.00 0.00 53.44 48.80 1knf n ALA 201 Cb 0.56 -3.01 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 1knf n ALA 201 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1knf s PHE 202 N 0.37 3.56 -1.17 0.00 2.99 -1.26 -4.93 117.98 117.53 1knf s PHE 202 Ca 0.47 1.15 -0.17 0.00 0.00 0.00 0.00 56.93 58.37 1knf s PHE 202 Cb 0.14 -2.44 0.11 0.00 0.00 0.00 0.00 43.02 40.82 1knf s PHE 202 CO -0.04 0.34 1.50 -1.25 -0.00 0.00 0.00 175.22 175.77 1knf s PRO 203 N -2.22 3.91 0.12 0.24 0.04 -1.26 -4.68 135.00 131.15 1knf s PRO 203 Ca 0.43 -2.02 0.07 0.00 0.04 0.00 0.00 61.00 59.51 1knf s PRO 203 Cb -0.14 -5.26 -0.04 0.00 0.04 0.00 0.00 34.50 29.10 1knf s PRO 203 CO 0.20 -2.02 -0.17 -0.51 0.04 0.00 0.00 177.00 174.54 1knf s LEU 204 N 3.24 2.36 0.00 -3.56 1.43 -1.26 -5.02 118.68 115.87 1knf s LEU 204 Ca 0.46 -0.76 0.24 0.00 -1.03 0.00 0.00 54.13 53.04 1knf s LEU 204 Cb -0.00 -0.69 1.18 0.00 0.03 0.00 0.00 46.19 46.71 1knf s LEU 204 CO -0.00 -0.06 1.79 -2.65 0.23 0.00 0.00 176.35 175.66 1knf n PRO 205 N 0.75 0.27 -4.00 1.29 -0.02 -1.26 -4.84 135.00 127.19 1knf n PRO 205 Ca -0.17 0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.16 1knf n PRO 205 Cb 0.56 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 1knf n PRO 205 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1knf s LYS 206 N -2.67 2.68 0.27 -0.52 -0.14 -1.26 -5.02 119.74 113.08 1knf s LYS 206 Ca 0.20 -1.28 0.09 0.00 -1.36 0.00 0.00 55.97 53.62 1knf s LYS 206 Cb 0.16 -2.42 0.34 0.00 -1.68 0.00 0.00 37.83 34.23 1knf s LYS 206 CO 0.38 0.21 1.60 0.00 -0.76 0.00 0.00 175.35 176.79 1knf h ARG 207 N 1.43 0.07 -5.13 1.68 3.08 -1.88 -3.43 114.38 110.20 1knf h ARG 207 Ca -0.46 -0.05 -0.37 0.00 0.07 0.00 0.00 59.98 59.17 1knf h ARG 207 Cb 1.25 0.01 -0.21 0.00 0.08 0.00 0.00 29.97 31.09 1knf h ARG 207 CO 0.60 0.65 -0.77 0.96 -1.07 0.00 0.00 179.97 180.35 1knf s ILE 208 N -3.67 0.96 -0.08 2.04 -4.36 -1.26 -0.96 121.20 113.87 1knf s ILE 208 Ca -0.02 -1.27 -0.25 0.00 -0.26 0.00 0.00 60.65 58.85 1knf s ILE 208 Cb 0.13 -0.97 -0.29 0.00 1.25 0.00 0.00 42.46 42.57 1knf s ILE 208 CO 0.77 -0.28 0.86 -0.74 0.24 0.00 0.00 174.94 175.79 1knf h HIS 209 N 4.30 0.33 -2.75 1.37 -0.00 -1.32 -3.45 115.15 113.63 1knf h HIS 209 Ca -0.39 -0.24 0.07 0.00 -0.00 0.00 0.00 60.37 59.80 1knf h HIS 209 Cb 1.19 -0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 28.49 1knf h HIS 209 CO 0.64 1.18 0.32 -3.38 -0.00 0.00 0.00 177.93 176.68 1knf s HIS 210 N -2.40 -0.32 0.21 5.26 0.00 -1.26 -2.41 115.29 114.38 1knf s HIS 210 Ca -0.16 0.03 0.10 0.00 -3.00 0.00 0.00 55.06 52.04 1knf s HIS 210 Cb -0.01 0.62 -0.05 0.00 -4.00 0.00 0.00 32.58 29.15 1knf s HIS 210 CO 0.78 -0.91 -0.20 -0.59 -1.00 0.00 0.00 174.74 172.81 1knf s PHE 211 N -3.61 2.11 0.00 0.38 -0.12 -1.02 -1.57 117.98 114.16 1knf s PHE 211 Ca 0.07 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.60 1knf s PHE 211 Cb -0.03 -1.00 -0.01 0.00 -0.63 0.00 0.00 43.02 41.35 1knf s PHE 211 CO -0.03 0.51 -0.15 1.41 -0.05 0.00 0.00 175.22 176.90 1knf s MET 212 N -3.04 1.16 -0.05 1.99 1.75 0.98 -0.49 119.30 121.59 1knf s MET 212 Ca 0.22 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 54.11 1knf s MET 212 Cb -0.06 -1.14 -0.01 0.00 2.84 0.00 0.00 34.83 36.47 1knf s MET 212 CO 0.10 0.30 -0.22 -0.51 -0.65 0.00 0.00 175.02 174.04 1knf s LEU 213 N -0.57 2.02 -0.16 4.11 1.43 -0.56 -3.28 118.68 121.66 1knf s LEU 213 Ca 0.05 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1knf s LEU 213 Cb -0.06 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1knf s LEU 213 CO -0.00 0.21 -0.02 -0.70 0.23 0.00 0.00 176.35 176.07 1knf s GLU 214 N -0.09 3.70 0.40 1.70 2.12 -1.26 -1.92 118.70 123.35 1knf s GLU 214 Ca -0.04 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 54.88 1knf s GLU 214 Cb -0.13 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1knf s GLU 214 CO 0.03 0.27 0.39 0.14 -0.54 0.00 0.00 175.26 175.55 1knf s VAL 215 N 0.31 2.88 -0.31 3.70 -7.23 0.03 -0.41 120.40 119.37 1knf s VAL 215 Ca -0.02 -1.30 0.20 0.00 -1.81 0.00 0.00 61.98 59.04 1knf s VAL 215 Cb -0.14 -3.04 0.18 0.00 0.56 0.00 0.00 36.38 33.94 1knf s VAL 215 CO 0.02 -0.03 1.44 0.00 -0.31 0.00 0.00 175.10 176.22 1knf h ALA 216 N 1.02 0.81 -2.26 1.32 0.00 -1.20 -3.42 119.26 115.54 1knf h ALA 216 Ca -0.42 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 1knf h ALA 216 Cb 1.27 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1knf h ALA 216 CO 0.56 0.25 -0.68 -1.54 0.00 0.00 0.00 179.25 177.84 1knf s SER 217 N -6.15 0.57 0.27 0.00 1.04 -1.26 -4.94 113.70 103.23 1knf s SER 217 Ca 0.05 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.40 1knf s SER 217 Cb 0.07 0.19 0.32 0.00 0.10 0.00 0.00 66.02 66.70 1knf s SER 217 CO 0.72 -0.60 1.94 0.25 0.98 0.00 0.00 173.24 176.53 1knf h LEU 218 N 3.08 1.08 -1.49 2.42 5.85 -1.98 -2.20 115.31 122.08 1knf h LEU 218 Ca -0.34 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1knf h LEU 218 Cb 1.15 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1knf h LEU 218 CO 0.65 0.79 0.07 0.44 -0.34 0.00 0.00 178.44 180.05 1knf h ASP 219 N 1.27 0.36 -0.80 1.25 3.32 -1.98 -0.61 116.42 119.24 1knf h ASP 219 Ca 0.34 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1knf h ASP 219 Cb -0.13 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 1knf h ASP 219 CO -0.07 0.38 0.50 0.44 -1.72 0.00 0.00 179.24 178.77 1knf h ASP 220 N 0.40 0.82 -0.15 6.45 3.32 -1.73 0.55 116.42 126.07 1knf h ASP 220 Ca 0.10 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1knf h ASP 220 Cb 0.16 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1knf h ASP 220 CO -0.00 0.55 -0.13 0.58 -1.72 0.00 0.00 179.24 178.52 1knf h VAL 221 N 0.96 1.34 -0.52 -1.35 2.07 -1.21 -2.33 116.25 115.22 1knf h VAL 221 Ca 0.33 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1knf h VAL 221 Cb 0.06 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1knf h VAL 221 CO -0.13 0.37 0.33 1.23 0.02 0.00 0.00 177.57 179.39 1knf h GLY 222 N -0.01 0.74 0.95 2.17 0.00 -0.75 -0.38 103.07 105.79 1knf h GLY 222 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1knf h GLY 222 CO 0.03 0.28 0.02 0.74 0.00 0.00 0.00 176.54 177.61 1knf h PHE 223 N 0.70 0.78 -0.56 5.60 0.05 -0.95 -2.90 116.94 119.65 1knf h PHE 223 Ca 0.19 -0.13 -0.04 0.00 3.82 0.00 0.00 57.97 61.80 1knf h PHE 223 Cb -0.05 -0.21 -0.03 0.00 2.00 0.00 0.00 35.95 37.67 1knf h PHE 223 CO -0.03 0.78 0.17 0.00 -0.18 0.00 0.00 178.31 179.05 1knf h ALA 224 N 0.90 1.25 -0.26 2.45 0.00 -1.20 -2.04 119.26 120.36 1knf h ALA 224 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1knf h ALA 224 Cb 0.46 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1knf h ALA 224 CO 0.02 0.53 0.04 0.35 0.00 0.00 0.00 179.25 180.19 1knf h PHE 225 N 0.82 0.06 -0.75 0.00 3.57 -0.93 -1.16 116.94 118.55 1knf h PHE 225 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1knf h PHE 225 Cb 0.25 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1knf h PHE 225 CO 0.02 0.01 0.25 -0.44 -2.23 0.00 0.00 178.31 175.92 1knf h ASP 226 N 0.13 1.07 -0.52 0.41 5.19 -1.28 0.15 116.42 121.56 1knf h ASP 226 Ca 0.12 -0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1knf h ASP 226 Cb 0.13 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 1knf h ASP 226 CO -0.17 0.98 0.34 0.03 -3.12 0.00 0.00 179.24 177.31 1knf h ARG 227 N 1.10 0.68 -0.27 3.56 3.08 -0.92 -1.78 114.38 119.83 1knf h ARG 227 Ca 0.24 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.08 1knf h ARG 227 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1knf h ARG 227 CO -0.01 0.45 -0.52 0.28 -1.07 0.00 0.00 179.97 179.10 1knf h VAL 228 N 0.70 1.28 -0.29 2.04 2.07 -1.03 -3.22 116.25 117.80 1knf h VAL 228 Ca 0.20 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 1knf h VAL 228 Cb -0.07 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1knf h VAL 228 CO -0.05 0.55 -0.01 -0.78 0.02 0.00 0.00 177.57 177.30 1knf h ASP 229 N 0.59 0.41 -0.48 0.57 -0.00 -0.58 -2.08 116.42 114.85 1knf h ASP 229 Ca 0.01 -0.07 0.11 0.00 -0.00 0.00 0.00 57.03 57.08 1knf h ASP 229 Cb 1.13 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 40.33 1knf h ASP 229 CO 0.12 0.49 0.33 0.00 -0.00 0.00 0.00 179.24 180.18 1knf h ALA 230 N 1.57 2.25 -0.71 -0.78 0.00 -1.33 0.12 119.26 120.38 1knf h ALA 230 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1knf h ALA 230 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1knf h ALA 230 CO 0.01 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 178.64 1knf n ASP 231 N -4.44 4.45 -2.52 0.00 9.92 -0.82 -4.95 116.55 118.20 1knf n ASP 231 Ca 0.08 -2.24 -0.19 0.00 -0.53 0.00 0.00 54.79 51.91 1knf n ASP 231 Cb 0.45 -0.55 0.02 0.00 -0.64 0.00 0.00 41.12 40.40 1knf n ASP 231 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1knf n GLY 232 N 1.42 -0.38 0.99 0.44 0.00 0.40 -4.93 105.19 103.14 1knf n GLY 232 Ca 0.26 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1knf n GLY 232 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1knf n LEU 233 N -3.32 3.07 -4.74 0.99 4.77 -1.00 -4.96 117.00 111.81 1knf n LEU 233 Ca -0.13 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.33 1knf n LEU 233 Cb 0.62 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1knf n LEU 233 CO 0.37 0.55 0.97 -0.63 -1.33 0.00 0.00 177.39 177.32 1knf s ILE 234 N -1.88 3.26 -0.06 -0.08 -1.09 -1.26 -0.98 121.20 119.11 1knf s ILE 234 Ca 0.31 1.05 0.09 0.00 -2.23 0.00 0.00 60.65 59.87 1knf s ILE 234 Cb 0.21 -3.67 -0.13 0.00 -1.58 0.00 0.00 42.46 37.29 1knf s ILE 234 CO 0.31 0.16 0.11 0.35 -1.23 0.00 0.00 174.94 174.63 1knf n THR 235 N 2.54 0.37 -3.78 2.92 -2.24 -0.27 -4.73 114.28 109.09 1knf n THR 235 Ca 0.06 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1knf n THR 235 Cb 0.43 -0.34 -0.14 0.00 -2.10 0.00 0.00 70.33 68.19 1knf n THR 235 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1knf s SER 236 N -3.72 -0.13 1.09 3.42 0.01 -1.14 -0.74 113.70 112.48 1knf s SER 236 Ca -0.04 0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.37 1knf s SER 236 Cb 0.04 0.24 0.23 0.00 0.21 0.00 0.00 66.02 66.74 1knf s SER 236 CO 0.39 -0.11 1.11 0.42 0.41 0.00 0.00 173.24 175.46 1knf s THR 237 N 0.69 1.83 0.38 1.44 -4.23 -0.53 -2.70 115.64 112.52 1knf s THR 237 Ca -0.05 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 1knf s THR 237 Cb -0.07 -2.51 -0.11 0.00 1.34 0.00 0.00 72.50 71.16 1knf s THR 237 CO -0.03 0.00 1.49 -0.76 -0.54 0.00 0.00 174.62 174.77 1knf s LEU 238 N -6.65 4.30 0.25 4.79 1.43 -1.26 -2.73 118.68 118.80 1knf s LEU 238 Ca 0.68 3.05 -0.20 0.00 -1.03 0.00 0.00 54.13 56.63 1knf s LEU 238 Cb -0.14 -3.69 0.07 0.00 0.03 0.00 0.00 46.19 42.45 1knf s LEU 238 CO 0.57 -0.91 0.95 -0.83 0.23 0.00 0.00 176.35 176.35 1knf s GLY 239 N -0.16 0.15 -0.06 -3.19 0.00 -0.74 -1.58 107.32 101.74 1knf s GLY 239 Ca 0.54 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.87 1knf s GLY 239 CO 0.63 1.26 -0.14 -1.60 0.00 0.00 0.00 173.10 173.26 1knf s ARG 240 N -2.38 1.72 0.53 2.90 3.52 -0.24 -1.16 118.95 123.84 1knf s ARG 240 Ca 0.19 -0.48 -0.19 0.00 -0.13 0.00 0.00 55.73 55.11 1knf s ARG 240 Cb -0.03 -1.44 -0.06 0.00 -1.56 0.00 0.00 34.95 31.85 1knf s ARG 240 CO 0.07 0.10 1.08 -1.01 -0.81 0.00 0.00 175.30 174.73 1knf s HIS 241 N 0.43 2.85 0.18 5.12 3.76 -0.46 -0.30 115.29 126.87 1knf s HIS 241 Ca -0.11 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 1knf s HIS 241 Cb -0.14 -3.15 0.07 0.00 1.11 0.00 0.00 32.58 30.47 1knf s HIS 241 CO 0.03 -1.19 1.43 1.79 -0.85 0.00 0.00 174.74 175.95 1knf h THR 242 N 1.20 1.44 0.00 1.30 1.35 -1.73 -2.72 112.91 113.75 1knf h THR 242 Ca -0.49 -2.36 -0.19 0.00 -0.55 0.00 0.00 66.41 62.82 1knf h THR 242 Cb 1.24 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 69.91 1knf h THR 242 CO 0.58 0.69 -1.19 -0.46 -0.25 0.00 0.00 175.52 174.89 1knf n ASN 243 N -3.75 1.86 -0.22 5.36 6.94 -1.26 -4.49 115.26 119.70 1knf n ASN 243 Ca -0.04 0.47 0.12 0.00 -0.02 0.00 0.00 54.58 55.11 1knf n ASN 243 Cb 0.74 -0.92 0.24 0.00 -2.36 0.00 0.00 39.78 37.48 1knf n ASN 243 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1knf n ASP 244 N -4.46 1.09 -1.71 0.53 5.68 -1.26 -4.94 116.55 111.47 1knf n ASP 244 Ca -0.27 -0.88 -0.20 0.00 -0.50 0.00 0.00 54.79 52.93 1knf n ASP 244 Cb 0.59 0.29 -0.07 0.00 -1.14 0.00 0.00 41.12 40.79 1knf n ASP 244 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1knf n HIS 245 N -0.78 -0.21 -2.50 2.11 8.25 -1.02 -0.25 115.22 120.81 1knf n HIS 245 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 1knf n HIS 245 Cb 0.37 -3.50 -0.04 0.00 1.12 0.00 0.00 29.99 27.94 1knf n HIS 245 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1knf s MET 246 N -3.99 4.59 -0.27 -0.41 0.00 -1.26 -4.35 119.30 113.60 1knf s MET 246 Ca 0.00 1.74 -0.15 0.00 0.00 0.00 0.00 55.69 57.29 1knf s MET 246 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 34.83 31.53 1knf s MET 246 CO 0.00 0.08 0.37 0.08 0.00 0.00 0.00 175.02 175.54 1knf s VAL 247 N -0.33 5.18 0.28 10.11 1.01 -0.41 -1.36 120.40 134.89 1knf s VAL 247 Ca 0.49 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 1knf s VAL 247 Cb -0.30 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1knf s VAL 247 CO 0.36 0.16 0.62 -0.94 0.00 0.00 0.00 175.10 175.30 1knf s SER 248 N 1.65 -0.10 0.18 3.32 1.04 -0.31 -0.68 113.70 118.80 1knf s SER 248 Ca 0.15 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.77 1knf s SER 248 Cb -0.16 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1knf s SER 248 CO 0.10 -1.31 -0.06 0.72 0.98 0.00 0.00 173.24 173.68 1knf s PHE 249 N -3.73 1.37 0.12 5.02 -0.12 -1.10 -1.79 117.98 117.75 1knf s PHE 249 Ca 0.17 -0.84 0.11 0.00 -0.05 0.00 0.00 56.93 56.31 1knf s PHE 249 Cb -0.04 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 1knf s PHE 249 CO 0.09 0.01 -0.26 0.71 -0.05 0.00 0.00 175.22 175.72 1knf s TYR 250 N -3.39 2.25 0.09 3.49 1.51 -1.10 -2.09 117.35 118.11 1knf s TYR 250 Ca 0.22 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1knf s TYR 250 Cb 0.04 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1knf s TYR 250 CO 0.04 0.32 0.16 0.00 -1.11 0.00 0.00 175.55 174.96 1knf s ALA 251 N -1.06 -0.08 -0.08 3.71 0.00 -0.35 -1.11 121.76 122.78 1knf s ALA 251 Ca 0.13 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1knf s ALA 251 Cb -0.10 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 1knf s ALA 251 CO 0.06 -0.50 0.43 0.45 0.00 0.00 0.00 175.76 176.20 1knf s SER 252 N -2.88 6.70 0.70 0.00 0.15 -0.15 -0.75 113.70 117.47 1knf s SER 252 Ca 0.06 0.83 -0.05 0.00 0.70 0.00 0.00 55.95 57.50 1knf s SER 252 Cb 0.05 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 62.17 1knf s SER 252 CO -0.10 0.13 0.99 0.42 1.20 0.00 0.00 173.24 175.88 1knf s THR 253 N 0.00 2.31 0.21 6.45 -4.23 -0.35 -4.92 115.64 115.12 1knf s THR 253 Ca 0.24 -0.36 0.34 0.00 -1.18 0.00 0.00 61.69 60.73 1knf s THR 253 Cb -0.15 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.09 1knf s THR 253 CO 0.11 0.00 2.04 -0.65 -0.54 0.00 0.00 174.62 175.57 1knf h PRO 254 N -0.54 0.00 -0.08 3.99 0.11 -1.91 -1.48 132.00 132.09 1knf h PRO 254 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1knf h PRO 254 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1knf h PRO 254 CO 0.55 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.77 1knf n SER 255 N -2.74 1.73 0.00 -2.05 7.64 -1.26 -4.93 113.62 112.02 1knf n SER 255 Ca -0.02 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.24 1knf n SER 255 Cb 0.10 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1knf n SER 255 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1knf n GLY 256 N 1.18 2.84 3.77 0.23 0.00 -0.56 -4.85 105.19 107.81 1knf n GLY 256 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1knf n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1knf s VAL 257 N -1.77 2.21 0.32 1.61 1.01 -1.26 -4.65 120.40 117.86 1knf s VAL 257 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1knf s VAL 257 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1knf s VAL 257 CO 0.00 0.04 0.51 -1.61 0.00 0.00 0.00 175.10 174.04 1knf s GLU 258 N -2.24 3.50 -0.02 2.72 2.02 -1.01 -1.21 118.70 122.45 1knf s GLU 258 Ca 0.56 -0.35 0.06 0.00 0.02 0.00 0.00 54.97 55.26 1knf s GLU 258 Cb -0.43 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 1knf s GLU 258 CO 0.57 0.21 -0.18 0.54 0.02 0.00 0.00 175.26 176.42 1knf s VAL 259 N -2.22 1.44 -0.11 2.63 0.11 0.08 -2.44 120.40 119.89 1knf s VAL 259 Ca 0.39 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 1knf s VAL 259 Cb -0.10 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.53 1knf s VAL 259 CO 0.34 0.41 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.75 1knf s GLU 260 N -0.40 3.19 -0.24 1.54 2.12 0.36 -1.21 118.70 124.06 1knf s GLU 260 Ca 0.06 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.85 1knf s GLU 260 Cb -0.07 -2.72 0.06 0.00 0.26 0.00 0.00 34.13 31.66 1knf s GLU 260 CO -0.01 0.44 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.62 1knf s TYR 261 N -0.21 2.56 0.36 5.30 5.04 -0.89 -1.50 117.35 128.01 1knf s TYR 261 Ca 0.03 -1.85 0.06 0.00 -2.44 0.00 0.00 57.07 52.87 1knf s TYR 261 Cb -0.13 -1.65 -0.02 0.00 0.35 0.00 0.00 41.96 40.51 1knf s TYR 261 CO 0.03 -0.79 0.21 0.41 -1.34 0.00 0.00 175.55 174.07 1knf n GLY 262 N 4.63 3.08 3.37 8.97 0.00 -0.81 -2.70 105.19 121.74 1knf n GLY 262 Ca -0.13 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 1knf n GLY 262 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1knf s TRP 263 N -3.20 -0.40 -0.93 1.61 -0.00 0.15 -0.79 118.94 115.37 1knf s TRP 263 Ca 0.30 0.63 -0.02 0.00 -0.00 0.00 0.00 56.10 57.01 1knf s TRP 263 Cb 0.01 0.25 0.00 0.00 -0.00 0.00 0.00 33.47 33.74 1knf s TRP 263 CO 0.21 -0.51 0.31 0.45 -0.00 0.00 0.00 176.95 177.41 1knf n SER 264 N 1.02 -4.18 -4.78 5.86 2.88 -1.26 -1.28 113.62 111.87 1knf n SER 264 Ca -0.20 -0.15 -0.34 0.00 -1.33 0.00 0.00 58.87 56.86 1knf n SER 264 Cb 0.57 -3.11 0.02 0.00 -0.75 0.00 0.00 64.21 60.93 1knf n SER 264 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1knf s ALA 265 N -2.87 2.64 0.38 -1.46 0.00 -1.26 -4.48 121.76 114.72 1knf s ALA 265 Ca 0.15 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 1knf s ALA 265 Cb -0.07 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1knf s ALA 265 CO 0.19 -0.92 0.64 -0.98 0.00 0.00 0.00 175.76 174.69 1knf s ARG 266 N -3.78 3.57 0.41 0.00 1.70 0.65 -4.95 118.95 116.55 1knf s ARG 266 Ca 0.68 -0.00 0.08 0.00 -0.47 0.00 0.00 55.73 56.01 1knf s ARG 266 Cb -0.20 -2.55 -0.01 0.00 -0.57 0.00 0.00 34.95 31.62 1knf s ARG 266 CO 0.34 0.04 0.41 0.95 -1.08 0.00 0.00 175.30 175.96 1knf s THR 267 N -2.39 2.85 -0.14 4.99 -4.23 -1.26 -3.96 115.64 111.50 1knf s THR 267 Ca 0.44 -1.26 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1knf s THR 267 Cb -0.10 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1knf s THR 267 CO 0.37 -0.02 0.12 -0.69 -0.54 0.00 0.00 174.62 173.85 1knf s VAL 268 N -2.42 5.32 0.33 2.29 1.01 0.20 -4.88 120.40 122.25 1knf s VAL 268 Ca 0.49 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1knf s VAL 268 Cb -0.05 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 1knf s VAL 268 CO 0.29 0.57 0.01 -0.90 0.00 0.00 0.00 175.10 175.08 1knf n ASP 269 N 2.40 2.67 0.23 3.32 5.75 -1.26 -4.64 116.55 125.03 1knf n ASP 269 Ca -0.19 -2.48 0.09 0.00 -0.01 0.00 0.00 54.79 52.21 1knf n ASP 269 Cb 0.54 0.30 0.55 0.00 -1.03 0.00 0.00 41.12 41.48 1knf n ASP 269 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1knf h ARG 270 N 0.00 0.00 -0.00 0.11 3.08 -2.03 -2.19 114.38 113.35 1knf h ARG 270 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1knf h ARG 270 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1knf h ARG 270 CO 0.45 0.22 -0.02 -1.13 -1.07 0.00 0.00 179.97 178.42 1knf n SER 271 N -3.63 0.31 -4.70 7.04 3.41 -1.26 -4.92 113.62 109.88 1knf n SER 271 Ca -0.01 -0.91 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1knf n SER 271 Cb 0.35 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1knf n SER 271 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1knf n TRP 272 N -0.84 2.26 -4.44 7.33 -0.00 -0.83 -5.03 117.44 115.90 1knf n TRP 272 Ca 0.21 0.55 -0.21 0.00 -0.00 0.00 0.00 57.50 58.05 1knf n TRP 272 Cb 0.19 -2.41 -0.14 0.00 -0.00 0.00 0.00 31.31 28.95 1knf n TRP 272 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1knf s VAL 273 N -1.11 1.11 0.27 5.87 -7.23 -1.26 -5.03 120.40 113.02 1knf s VAL 273 Ca 0.56 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 1knf s VAL 273 Cb -0.56 -0.99 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 1knf s VAL 273 CO 0.62 0.10 1.37 -0.69 -0.31 0.00 0.00 175.10 176.18 1knf s VAL 274 N -0.69 2.80 0.28 1.32 1.01 -1.26 -4.93 120.40 118.93 1knf s VAL 274 Ca 0.03 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.75 1knf s VAL 274 Cb -0.07 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1knf s VAL 274 CO 0.01 0.13 0.18 0.68 0.00 0.00 0.00 175.10 176.10 1knf s VAL 275 N -0.37 0.15 0.12 2.92 -7.23 -1.25 -5.04 120.40 109.71 1knf s VAL 275 Ca 0.55 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1knf s VAL 275 Cb -0.40 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1knf s VAL 275 CO 0.45 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 175.09 1knf s ARG 276 N -3.81 1.04 0.11 4.82 1.70 -1.26 -2.11 118.95 119.43 1knf s ARG 276 Ca 0.38 -1.22 0.03 0.00 -0.47 0.00 0.00 55.73 54.44 1knf s ARG 276 Cb 0.05 -0.97 -0.04 0.00 -0.57 0.00 0.00 34.95 33.41 1knf s ARG 276 CO 0.19 0.19 -0.08 -1.01 -1.08 0.00 0.00 175.30 173.51 1knf s HIS 277 N -1.97 1.00 -0.93 5.89 3.76 -0.23 -4.96 115.29 117.85 1knf s HIS 277 Ca 0.08 -0.79 0.11 0.00 -0.15 0.00 0.00 55.06 54.31 1knf s HIS 277 Cb -0.06 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 1knf s HIS 277 CO 0.03 -0.06 0.64 -0.25 -0.85 0.00 0.00 174.74 174.25 1knf n ASP 278 N 0.15 1.13 -3.97 1.40 8.00 -1.26 -1.45 116.55 120.55 1knf n ASP 278 Ca -0.13 -1.07 -0.14 0.00 0.71 0.00 0.00 54.79 54.16 1knf n ASP 278 Cb 0.60 0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 42.16 1knf n ASP 278 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1knf s SER 279 N -1.62 0.52 0.00 -2.24 0.01 -1.26 -4.74 113.70 104.37 1knf s SER 279 Ca 0.08 -0.23 0.26 0.00 1.31 0.00 0.00 55.95 57.37 1knf s SER 279 Cb 0.09 -0.01 0.68 0.00 0.21 0.00 0.00 66.02 66.99 1knf s SER 279 CO 0.33 -0.05 1.53 -0.81 0.41 0.00 0.00 173.24 174.64 1knf n PRO 280 N 2.47 0.18 -3.99 12.44 -0.04 -1.26 -4.64 135.00 140.15 1knf n PRO 280 Ca -0.16 -0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.07 1knf n PRO 280 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1knf n PRO 280 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1knf s SER 281 N -2.89 0.27 -0.04 3.54 0.01 -1.26 -2.33 113.70 111.00 1knf s SER 281 Ca 0.15 -0.04 -0.23 0.00 1.31 0.00 0.00 55.95 57.14 1knf s SER 281 Cb 0.18 -0.04 -0.24 0.00 0.21 0.00 0.00 66.02 66.13 1knf s SER 281 CO 0.64 0.02 1.03 0.24 0.41 0.00 0.00 173.24 175.58 1knf h MET 282 N 6.14 0.25 -3.42 12.44 2.86 -0.91 -3.44 114.93 128.85 1knf h MET 282 Ca -0.26 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.04 1knf h MET 282 Cb 1.20 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 32.81 1knf h MET 282 CO 0.51 1.00 -0.09 1.67 1.06 0.00 0.00 176.91 181.06 1knf s TRP 283 N -3.07 -0.15 0.00 -0.22 1.48 -1.24 -5.00 118.94 110.73 1knf s TRP 283 Ca -0.15 -0.17 0.00 0.00 -1.06 0.00 0.00 56.10 54.72 1knf s TRP 283 Cb 0.02 0.24 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 1knf s TRP 283 CO 0.77 -0.71 0.00 0.41 -4.06 0.00 0.00 176.95 173.36 1knf n GLY 284 N -0.23 0.27 3.39 3.67 0.00 -1.26 -1.07 105.19 109.96 1knf n GLY 284 Ca -0.15 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1knf n GLY 284 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1knf n HIS 285 N 0.00 -2.33 -2.20 1.61 8.25 -0.61 -4.80 115.22 115.14 1knf n HIS 285 Ca 0.00 0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 57.79 1knf n HIS 285 Cb 0.00 -4.48 -0.03 0.00 1.12 0.00 0.00 29.99 26.60 1knf n HIS 285 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1knf s LYS 286 N -6.08 4.26 -0.02 -0.41 2.20 -1.26 -4.63 119.74 113.80 1knf s LYS 286 Ca 0.47 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.76 1knf s LYS 286 Cb -0.22 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 1knf s LYS 286 CO 0.58 -0.63 1.41 0.45 -0.36 0.00 0.00 175.35 176.80 1knf s SER 287 N 2.08 6.85 -0.26 1.43 0.15 -1.26 -1.46 113.70 121.23 1knf s SER 287 Ca 0.65 2.07 0.09 0.00 0.70 0.00 0.00 55.95 59.46 1knf s SER 287 Cb -0.31 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 61.89 1knf s SER 287 CO 0.26 -0.74 1.28 1.33 1.20 0.00 0.00 173.24 176.57 1knf n VAL 288 N 4.81 2.41 1.50 4.45 0.24 0.08 -4.98 118.33 126.85 1knf n VAL 288 Ca 0.14 -3.44 0.14 0.00 -2.04 0.00 0.00 64.34 59.14 1knf n VAL 288 Cb 0.44 -0.55 0.53 0.00 -1.47 0.00 0.00 33.84 32.79 1knf n VAL 288 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23