#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkf s ASP 2 N 0.00 6.37 -0.10 6.12 1.01 -1.26 -3.82 116.67 124.99 2qkf s ASP 2 Ca 0.00 0.50 0.01 0.00 0.71 0.00 0.00 52.55 53.78 2qkf s ASP 2 Cb 0.00 -2.05 0.02 0.00 1.01 0.00 0.00 42.92 41.89 2qkf s ASP 2 CO 0.00 -0.19 -0.13 -0.63 0.21 0.00 0.00 175.17 174.44 2qkf s ILE 3 N -2.11 1.29 -0.12 0.77 1.01 0.43 -4.98 121.20 117.49 2qkf s ILE 3 Ca 0.40 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.30 2qkf s ILE 3 Cb -0.10 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2qkf s ILE 3 CO 0.32 0.40 0.75 -0.54 0.00 0.00 0.00 174.94 175.87 2qkf s LYS 4 N 1.04 4.36 -0.34 2.79 -0.14 -1.26 -0.80 119.74 125.39 2qkf s LYS 4 Ca -0.07 0.92 0.02 0.00 -1.36 0.00 0.00 55.97 55.48 2qkf s LYS 4 Cb -0.15 -3.51 0.10 0.00 -1.68 0.00 0.00 37.83 32.59 2qkf s LYS 4 CO -0.01 -0.12 0.08 0.42 -0.76 0.00 0.00 175.35 174.95 2qkf s ILE 5 N 1.44 1.80 0.00 2.17 1.01 0.83 -4.98 121.20 123.46 2qkf s ILE 5 Ca 0.37 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.96 2qkf s ILE 5 Cb -0.17 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.96 2qkf s ILE 5 CO 0.16 -0.64 0.00 0.59 0.00 0.00 0.00 174.94 175.05 2qkf n ASN 6 N 4.41 0.00 -0.11 3.58 3.02 -1.26 -0.52 115.26 124.37 2qkf n ASN 6 Ca 0.02 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.72 2qkf n ASN 6 Cb 0.42 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.28 2qkf n ASN 6 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qkf n ASP 7 N 5.18 0.41 -4.76 6.41 8.00 -1.26 -4.86 116.55 125.67 2qkf n ASP 7 Ca 0.00 -0.71 -0.39 0.00 0.71 0.00 0.00 54.79 54.40 2qkf n ASP 7 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 2qkf n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qkf s ILE 8 N -2.33 4.92 -0.33 0.53 1.01 0.32 -5.05 121.20 120.27 2qkf s ILE 8 Ca 0.34 1.25 -0.12 0.00 0.00 0.00 0.00 60.65 62.11 2qkf s ILE 8 Cb 0.21 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2qkf s ILE 8 CO 0.43 0.41 0.23 -0.89 0.00 0.00 0.00 174.94 175.12 2qkf s THR 9 N -0.12 5.22 -0.26 2.92 2.01 -1.26 -0.12 115.64 124.03 2qkf s THR 9 Ca 0.31 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 2qkf s THR 9 Cb -0.18 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2qkf s THR 9 CO 0.17 0.03 0.12 -0.22 -0.69 0.00 0.00 174.62 174.03 2qkf s LEU 10 N 1.72 3.68 -0.22 4.42 2.96 0.02 -4.77 118.68 126.50 2qkf s LEU 10 Ca 0.06 -0.12 -0.36 0.00 -0.22 0.00 0.00 54.13 53.49 2qkf s LEU 10 Cb -0.17 -2.00 0.15 0.00 0.50 0.00 0.00 46.19 44.66 2qkf s LEU 10 CO 0.10 -0.04 1.30 -0.83 -1.32 0.00 0.00 176.35 175.56 2qkf s GLY 11 N 1.64 -0.27 0.20 7.98 0.00 -1.26 -0.43 107.32 115.18 2qkf s GLY 11 Ca 0.07 1.66 0.23 0.00 0.00 0.00 0.00 44.72 46.67 2qkf s GLY 11 CO 0.07 0.54 1.69 0.70 0.00 0.00 0.00 173.10 176.09 2qkf n ASN 12 N -0.09 0.55 -0.80 1.64 3.02 -1.26 -1.41 115.26 116.90 2qkf n ASN 12 Ca 0.02 0.62 0.08 0.00 -0.03 0.00 0.00 54.58 55.27 2qkf n ASN 12 Cb 0.58 -0.74 0.14 0.00 -0.61 0.00 0.00 39.78 39.15 2qkf n ASN 12 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qkf n ASN 13 N -2.09 2.85 -4.95 6.41 3.02 -1.26 -4.30 115.26 114.94 2qkf n ASN 13 Ca 0.03 -1.84 -0.23 0.00 -0.03 0.00 0.00 54.58 52.52 2qkf n ASN 13 Cb 0.25 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 2qkf n ASN 13 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2qkf s SER 14 N -1.21 6.28 0.39 6.41 0.01 -0.50 -4.98 113.70 120.09 2qkf s SER 14 Ca 0.26 0.09 -0.26 0.00 1.31 0.00 0.00 55.95 57.35 2qkf s SER 14 Cb 0.16 -1.85 -0.11 0.00 0.21 0.00 0.00 66.02 64.43 2qkf s SER 14 CO 0.22 -0.02 1.19 -2.65 0.41 0.00 0.00 173.24 172.38 2qkf n PRO 15 N -1.08 1.79 -2.20 12.44 -0.02 -1.26 -4.79 135.00 139.87 2qkf n PRO 15 Ca -0.08 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 2qkf n PRO 15 Cb 0.56 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 2qkf n PRO 15 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2qkf s PHE 16 N -1.17 2.91 -0.16 6.00 -0.12 -1.26 -4.84 117.98 119.34 2qkf s PHE 16 Ca 0.60 1.51 -0.10 0.00 -0.05 0.00 0.00 56.93 58.89 2qkf s PHE 16 Cb -0.56 -3.48 -0.05 0.00 -0.63 0.00 0.00 43.02 38.31 2qkf s PHE 16 CO 0.59 -1.65 0.17 0.08 -0.05 0.00 0.00 175.22 174.36 2qkf s VAL 17 N -1.41 5.42 -0.11 -2.49 1.01 -0.21 -4.30 120.40 118.30 2qkf s VAL 17 Ca 0.60 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 2qkf s VAL 17 Cb -0.32 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2qkf s VAL 17 CO 0.40 0.51 0.64 -0.22 0.00 0.00 0.00 175.10 176.43 2qkf s LEU 18 N -0.21 4.26 -0.19 3.92 2.96 0.01 -1.49 118.68 127.93 2qkf s LEU 18 Ca 0.12 1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 55.02 2qkf s LEU 18 Cb -0.12 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 2qkf s LEU 18 CO 0.02 -0.14 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.50 2qkf s PHE 19 N 1.08 2.97 -0.18 5.38 0.40 0.14 -0.48 117.98 127.28 2qkf s PHE 19 Ca 0.33 -0.65 -0.35 0.00 -0.60 0.00 0.00 56.93 55.66 2qkf s PHE 19 Cb -0.17 -2.04 0.14 0.00 0.51 0.00 0.00 43.02 41.47 2qkf s PHE 19 CO 0.14 -0.33 1.21 0.20 0.70 0.00 0.00 175.22 177.15 2qkf s GLY 20 N 0.99 -0.30 0.00 4.36 0.00 -0.91 -0.11 107.32 111.35 2qkf s GLY 20 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.27 2qkf s GLY 20 CO 0.01 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.23 2qkf n GLY 21 N -0.11 -0.40 3.31 0.20 0.00 -1.23 -1.48 105.19 105.49 2qkf n GLY 21 Ca 0.00 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 2qkf n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qkf s ILE 22 N 0.00 1.43 0.02 -0.61 -4.36 -0.15 -4.30 121.20 113.21 2qkf s ILE 22 Ca 0.00 -2.12 -0.15 0.00 -0.26 0.00 0.00 60.65 58.11 2qkf s ILE 22 Cb 0.00 -2.04 -0.08 0.00 1.25 0.00 0.00 42.46 41.58 2qkf s ILE 22 CO 0.00 -0.59 1.04 -1.13 0.24 0.00 0.00 174.94 174.50 2qkf h ASN 23 N 2.61 -0.46 -4.02 4.36 -1.24 -1.95 -3.34 115.58 111.54 2qkf h ASN 23 Ca -0.38 0.02 -0.50 0.00 0.71 0.00 0.00 56.30 56.15 2qkf h ASN 23 Cb 1.21 0.12 -0.30 0.00 0.73 0.00 0.00 38.32 40.08 2qkf h ASN 23 CO 0.63 -0.29 -0.81 -0.69 -1.29 0.00 0.00 177.43 174.98 2qkf s VAL 24 N -3.87 1.13 0.05 2.57 1.01 -1.26 -1.42 120.40 118.61 2qkf s VAL 24 Ca -0.08 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 2qkf s VAL 24 Cb 0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 2qkf s VAL 24 CO 0.24 0.33 1.54 -0.76 0.00 0.00 0.00 175.10 176.44 2qkf s LEU 25 N -0.09 4.35 -0.13 3.92 1.43 0.81 -4.86 118.68 124.11 2qkf s LEU 25 Ca 0.01 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 55.31 2qkf s LEU 25 Cb -0.08 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2qkf s LEU 25 CO 0.00 -0.80 -0.29 1.21 0.23 0.00 0.00 176.35 176.70 2qkf n GLU 26 N 5.28 0.44 -3.87 1.70 4.07 -1.26 -1.64 120.64 125.35 2qkf n GLU 26 Ca 0.14 0.17 -0.10 0.00 -0.06 0.00 0.00 57.16 57.32 2qkf n GLU 26 Cb 0.42 -1.26 -0.06 0.00 -0.06 0.00 0.00 31.44 30.47 2qkf n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2qkf s SER 27 N -5.99 -0.06 0.12 4.31 1.04 -1.26 -4.73 113.70 107.14 2qkf s SER 27 Ca -0.24 -0.71 -0.20 0.00 0.48 0.00 0.00 55.95 55.28 2qkf s SER 27 Cb 0.04 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.57 2qkf s SER 27 CO 0.35 -0.93 1.75 0.25 0.98 0.00 0.00 173.24 175.64 2qkf h LEU 28 N 2.45 0.06 -0.50 2.42 5.85 -1.96 -0.73 115.31 122.89 2qkf h LEU 28 Ca -0.31 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2qkf h LEU 28 Cb 1.24 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2qkf h LEU 28 CO 0.45 0.06 0.32 0.44 -0.34 0.00 0.00 178.44 179.38 2qkf h ASP 29 N 0.13 0.58 -0.29 1.25 3.32 -1.99 -0.29 116.42 119.13 2qkf h ASP 29 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2qkf h ASP 29 Cb 0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qkf h ASP 29 CO -0.08 0.43 0.13 -1.28 -1.72 0.00 0.00 179.24 176.72 2qkf h SER 30 N 0.67 0.39 -0.12 6.45 0.87 -1.95 -2.45 113.55 117.41 2qkf h SER 30 Ca 0.18 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2qkf h SER 30 Cb -0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2qkf h SER 30 CO -0.04 0.42 0.07 0.74 -0.53 0.00 0.00 176.83 177.50 2qkf h THR 31 N 0.32 1.07 -0.29 2.23 2.02 -0.72 -2.56 112.91 114.99 2qkf h THR 31 Ca 0.10 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2qkf h THR 31 Cb 0.15 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2qkf h THR 31 CO -0.01 0.06 -0.05 -0.07 0.37 0.00 0.00 175.52 175.82 2qkf h LEU 32 N 0.12 0.44 -0.09 2.58 3.38 -1.04 0.48 115.31 121.18 2qkf h LEU 32 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qkf h LEU 32 Cb 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2qkf h LEU 32 CO -0.01 0.54 0.05 -0.61 0.09 0.00 0.00 178.44 178.50 2qkf h GLN 33 N 0.44 0.12 -0.18 1.13 4.15 -1.27 0.11 115.11 119.62 2qkf h GLN 33 Ca 0.09 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.36 2qkf h GLN 33 Cb 0.37 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2qkf h GLN 33 CO 0.02 0.16 -0.44 1.15 -1.93 0.00 0.00 178.83 177.79 2qkf h THR 34 N 0.05 1.33 -0.76 2.39 2.02 -1.08 -3.17 112.91 113.69 2qkf h THR 34 Ca 0.03 -1.69 0.06 0.00 0.77 0.00 0.00 66.41 65.58 2qkf h THR 34 Cb 0.08 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 2qkf h THR 34 CO -0.00 0.52 0.46 0.00 0.37 0.00 0.00 175.52 176.86 2qkf h ALA 36 N 1.37 1.47 0.07 0.00 0.00 -0.98 0.12 119.26 121.31 2qkf h ALA 36 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qkf h ALA 36 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qkf h ALA 36 CO -0.17 0.21 -0.03 1.25 0.00 0.00 0.00 179.25 180.51 2qkf h HIS 37 N 0.96 -0.09 -0.61 0.00 6.17 -1.39 -0.07 115.15 120.12 2qkf h HIS 37 Ca 0.48 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.64 2qkf h HIS 37 Cb 0.47 0.03 -0.06 0.00 2.52 0.00 0.00 27.41 30.37 2qkf h HIS 37 CO -0.01 0.19 0.29 1.88 0.71 0.00 0.00 177.93 180.98 2qkf h TYR 38 N -0.37 0.52 -0.36 5.26 -1.99 -1.31 -2.04 116.97 116.69 2qkf h TYR 38 Ca -0.01 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 2qkf h TYR 38 Cb 0.32 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 2qkf h TYR 38 CO 0.02 0.20 0.21 0.28 -0.00 0.00 0.00 178.16 178.87 2qkf h VAL 39 N 0.52 1.13 -0.72 -2.88 2.07 -0.65 -0.97 116.25 114.74 2qkf h VAL 39 Ca 0.29 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2qkf h VAL 39 Cb 0.28 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2qkf h VAL 39 CO -0.24 0.13 0.34 -0.08 0.02 0.00 0.00 177.57 177.74 2qkf h GLU 40 N 0.46 1.05 -0.20 1.57 4.22 -0.80 -0.05 114.58 120.82 2qkf h GLU 40 Ca 0.13 -0.16 -0.08 0.00 0.08 0.00 0.00 59.36 59.32 2qkf h GLU 40 Cb 0.02 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2qkf h GLU 40 CO -0.02 0.83 -0.20 0.28 -2.18 0.00 0.00 179.01 177.72 2qkf h VAL 41 N 1.02 1.33 -0.30 0.32 2.07 -1.25 -1.97 116.25 117.46 2qkf h VAL 41 Ca 0.25 -1.36 -0.14 0.00 0.82 0.00 0.00 66.70 66.26 2qkf h VAL 41 Cb 0.14 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2qkf h VAL 41 CO -0.03 0.42 -0.38 0.71 0.02 0.00 0.00 177.57 178.31 2qkf h THR 42 N 0.16 1.29 -0.45 2.57 1.35 -1.08 -2.76 112.91 113.98 2qkf h THR 42 Ca 0.03 -1.54 -0.08 0.00 -0.55 0.00 0.00 66.41 64.27 2qkf h THR 42 Cb 0.75 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 2qkf h THR 42 CO 0.05 0.50 -0.06 0.03 -0.25 0.00 0.00 175.52 175.79 2qkf h ARG 43 N 0.58 0.78 -0.17 4.72 3.08 -0.99 0.12 114.38 122.51 2qkf h ARG 43 Ca 0.05 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2qkf h ARG 43 Cb 0.91 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2qkf h ARG 43 CO 0.08 0.83 0.05 -0.22 -1.07 0.00 0.00 179.97 179.63 2qkf h LYS 44 N 0.72 0.23 -0.01 0.04 3.64 -1.11 -2.84 116.57 117.23 2qkf h LYS 44 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2qkf h LYS 44 Cb 0.52 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2qkf h LYS 44 CO 0.03 0.21 -0.30 1.28 -2.27 0.00 0.00 179.45 178.40 2qkf n LEU 45 N -4.44 1.73 -2.46 5.20 4.77 -1.02 -5.00 117.00 115.77 2qkf n LEU 45 Ca -0.00 -0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 55.04 2qkf n LEU 45 Cb 0.13 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2qkf n LEU 45 CO 0.35 0.33 0.15 0.61 -1.33 0.00 0.00 177.39 177.50 2qkf n GLY 46 N 1.14 -0.00 3.60 -0.72 0.00 0.24 -5.03 105.19 104.42 2qkf n GLY 46 Ca 0.07 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qkf n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qkf s ILE 47 N -3.21 4.72 0.41 -0.61 1.01 -0.11 -5.02 121.20 118.39 2qkf s ILE 47 Ca 0.32 -0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 2qkf s ILE 47 Cb -0.14 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 2qkf s ILE 47 CO 0.46 0.44 1.38 -2.84 0.00 0.00 0.00 174.94 174.38 2qkf s PRO 48 N 0.58 3.95 -0.03 2.79 0.02 -1.26 -4.57 135.00 136.48 2qkf s PRO 48 Ca 0.03 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2qkf s PRO 48 Cb -0.13 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.61 2qkf s PRO 48 CO 0.01 -0.58 -0.00 -0.47 -0.33 0.00 0.00 177.00 175.63 2qkf s TYR 49 N -1.20 0.31 -0.17 6.54 5.04 -1.26 -0.81 117.35 125.80 2qkf s TYR 49 Ca 0.56 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 2qkf s TYR 49 Cb -0.42 -0.39 0.01 0.00 0.35 0.00 0.00 41.96 41.52 2qkf s TYR 49 CO 0.55 -0.12 -0.18 0.42 -1.34 0.00 0.00 175.55 174.88 2qkf s ILE 50 N 0.90 2.28 -0.00 3.14 1.01 0.37 -4.34 121.20 124.56 2qkf s ILE 50 Ca -0.09 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 2qkf s ILE 50 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2qkf s ILE 50 CO -0.02 0.53 1.03 0.12 0.00 0.00 0.00 174.94 176.60 2qkf s PHE 51 N 1.13 3.59 -0.07 3.97 5.36 -0.90 -2.14 117.98 128.91 2qkf s PHE 51 Ca 0.01 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.60 2qkf s PHE 51 Cb -0.14 -3.19 -0.02 0.00 -0.34 0.00 0.00 43.02 39.32 2qkf s PHE 51 CO -0.08 -0.31 -0.14 0.21 -1.46 0.00 0.00 175.22 173.44 2qkf s LYS 52 N 1.15 2.76 0.11 10.12 2.20 -0.55 -0.94 119.74 134.60 2qkf s LYS 52 Ca 0.53 -0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 55.20 2qkf s LYS 52 Cb -0.22 -2.45 0.07 0.00 -1.51 0.00 0.00 37.83 33.72 2qkf s LYS 52 CO 0.27 0.50 0.63 0.00 -0.36 0.00 0.00 175.35 176.40 2qkf s ALA 53 N -0.41 -1.64 -0.14 3.13 0.00 -1.08 -0.98 121.76 120.63 2qkf s ALA 53 Ca 0.05 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 2qkf s ALA 53 Cb -0.12 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 2qkf s ALA 53 CO 0.02 -0.70 0.24 -1.12 0.00 0.00 0.00 175.76 174.21 2qkf s SER 54 N -2.46 6.43 -0.00 0.00 0.01 -0.51 -4.27 113.70 112.90 2qkf s SER 54 Ca -0.01 0.51 0.13 0.00 1.31 0.00 0.00 55.95 57.89 2qkf s SER 54 Cb -0.01 -2.15 -0.20 0.00 0.21 0.00 0.00 66.02 63.87 2qkf s SER 54 CO -0.09 0.21 0.76 2.19 0.41 0.00 0.00 173.24 176.72 2qkf h PHE 55 N 6.02 0.00 -1.68 2.43 -5.15 -1.85 0.23 116.94 116.95 2qkf h PHE 55 Ca -0.46 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.09 2qkf h PHE 55 Cb 1.18 0.00 -0.28 0.00 0.22 0.00 0.00 35.95 37.07 2qkf h PHE 55 CO 0.65 0.89 -0.56 0.34 -2.00 0.00 0.00 178.31 177.63 2qkf s ASP 56 N -6.07 0.35 -0.23 -0.68 -1.08 -1.21 -0.86 116.67 106.89 2qkf s ASP 56 Ca -0.04 -0.75 -0.17 0.00 -0.52 0.00 0.00 52.55 51.07 2qkf s ASP 56 Cb 0.08 1.07 -0.03 0.00 -1.46 0.00 0.00 42.92 42.58 2qkf s ASP 56 CO 0.82 -0.31 0.49 -0.75 0.52 0.00 0.00 175.17 175.94 2qkf s LYS 57 N 2.17 4.12 0.06 4.34 2.20 0.93 -4.82 119.74 128.74 2qkf s LYS 57 Ca 0.12 0.31 0.18 0.00 -0.36 0.00 0.00 55.97 56.22 2qkf s LYS 57 Cb -0.12 -3.60 -0.13 0.00 -1.51 0.00 0.00 37.83 32.46 2qkf s LYS 57 CO -0.20 -0.23 0.79 0.00 -0.36 0.00 0.00 175.35 175.35 2qkf n ALA 58 N 5.10 2.04 -3.18 3.13 0.00 -1.26 -4.59 120.51 121.75 2qkf n ALA 58 Ca -0.05 -0.54 -0.45 0.00 0.00 0.00 0.00 53.44 52.40 2qkf n ALA 58 Cb 0.50 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 2qkf n ALA 58 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qkf s ASN 59 N -5.63 7.06 0.21 0.00 2.47 -1.26 -5.01 114.94 112.77 2qkf s ASN 59 Ca -0.03 -3.05 0.07 0.00 0.42 0.00 0.00 52.86 50.26 2qkf s ASN 59 Cb 0.09 -2.29 -0.04 0.00 -1.45 0.00 0.00 41.25 37.56 2qkf s ASN 59 CO 0.81 -0.57 0.11 -0.13 -3.72 0.00 0.00 177.10 173.60 2qkf s ARG 60 N 0.30 2.72 0.29 0.43 0.52 -1.26 -5.04 118.95 116.91 2qkf s ARG 60 Ca 0.32 -1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2qkf s ARG 60 Cb -0.07 -2.49 0.44 0.00 0.52 0.00 0.00 34.95 33.35 2qkf s ARG 60 CO -0.06 0.43 1.86 0.66 0.02 0.00 0.00 175.30 178.22 2qkf h SER 61 N 2.10 0.77 -4.18 0.23 4.64 -1.96 -3.44 113.55 111.72 2qkf h SER 61 Ca -0.47 -0.11 -0.30 0.00 -0.47 0.00 0.00 61.79 60.43 2qkf h SER 61 Cb 1.22 -0.20 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 2qkf h SER 61 CO 0.61 0.72 -0.70 -0.44 -0.87 0.00 0.00 176.83 176.15 2qkf s SER 62 N -6.55 1.57 0.22 4.97 0.01 -1.26 -5.05 113.70 107.61 2qkf s SER 62 Ca -0.10 -1.05 -0.07 0.00 1.31 0.00 0.00 55.95 56.04 2qkf s SER 62 Cb 0.16 0.03 0.35 0.00 0.21 0.00 0.00 66.02 66.77 2qkf s SER 62 CO 0.79 -0.41 1.74 0.40 0.41 0.00 0.00 173.24 176.18 2qkf h ILE 63 N 2.78 0.74 -0.48 1.44 1.08 -2.00 -3.07 117.51 117.99 2qkf h ILE 63 Ca -0.36 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2qkf h ILE 63 Cb 1.19 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2qkf h ILE 63 CO 0.64 0.08 0.00 1.41 -0.69 0.00 0.00 178.15 179.59 2qkf n HIS 64 N -4.99 0.64 -1.69 1.37 8.25 -1.26 -4.92 115.22 112.62 2qkf n HIS 64 Ca 0.11 -0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 2qkf n HIS 64 Cb 0.32 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.43 2qkf n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2qkf n SER 65 N 1.28 2.49 -4.69 0.41 7.64 -1.16 -4.88 113.62 114.70 2qkf n SER 65 Ca 0.19 1.15 -0.44 0.00 1.01 0.00 0.00 58.87 60.78 2qkf n SER 65 Cb 0.55 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.25 2qkf n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qkf n TYR 66 N 0.05 2.52 0.46 1.43 9.36 -1.26 -4.88 117.16 124.84 2qkf n TYR 66 Ca 0.06 0.06 0.13 0.00 3.32 0.00 0.00 57.90 61.47 2qkf n TYR 66 Cb 0.37 -2.64 0.35 0.00 -0.63 0.00 0.00 39.34 36.79 2qkf n TYR 66 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 2qkf h ARG 67 N 7.15 0.00 0.00 2.98 0.11 -1.90 -3.47 114.38 119.26 2qkf h ARG 67 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2qkf h ARG 67 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2qkf h ARG 67 CO 0.93 0.00 0.00 0.41 0.10 0.00 0.00 179.97 181.41 2qkf n GLY 68 N 1.08 1.97 0.18 0.08 0.00 -1.26 -0.05 105.19 107.19 2qkf n GLY 68 Ca 0.05 -2.15 0.14 0.00 0.00 0.00 0.00 46.02 44.05 2qkf n GLY 68 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qkf h VAL 69 N 0.00 0.00 0.00 1.61 -1.51 -1.21 -3.45 116.25 111.69 2qkf h VAL 69 Ca 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2qkf h VAL 69 Cb 0.00 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2qkf h VAL 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2qkf n GLY 70 N -0.21 0.61 0.30 5.19 0.00 -0.04 -4.57 105.19 106.48 2qkf n GLY 70 Ca 0.01 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 43.88 2qkf n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qkf h LEU 71 N 0.00 -0.62 0.63 0.99 5.85 -1.94 0.11 115.31 120.33 2qkf h LEU 71 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2qkf h LEU 71 Cb 0.00 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.20 2qkf h LEU 71 CO 0.00 -0.43 -0.30 -0.08 -0.34 0.00 0.00 178.44 177.28 2qkf h GLU 72 N -0.71 -0.82 -0.46 1.25 4.81 -1.98 -1.37 114.58 115.30 2qkf h GLU 72 Ca -0.07 0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 2qkf h GLU 72 Cb 0.55 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2qkf h GLU 72 CO 0.11 -0.53 -0.11 1.49 -0.73 0.00 0.00 179.01 179.24 2qkf h GLU 73 N -0.89 0.84 -0.71 1.92 4.57 -1.81 -2.86 114.58 115.64 2qkf h GLU 73 Ca -0.09 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 2qkf h GLU 73 Cb 0.66 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 2qkf h GLU 73 CO 0.14 0.91 0.47 0.78 -1.18 0.00 0.00 179.01 180.13 2qkf h GLY 74 N 0.97 1.00 1.50 1.92 0.00 -0.57 -0.93 103.07 106.97 2qkf h GLY 74 Ca 0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 2qkf h GLY 74 CO 0.04 0.37 -0.29 1.41 0.00 0.00 0.00 176.54 178.07 2qkf h LEU 75 N 0.97 0.58 -0.60 3.11 3.38 -1.20 -1.02 115.31 120.52 2qkf h LEU 75 Ca 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qkf h LEU 75 Cb -0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2qkf h LEU 75 CO -0.06 0.85 0.36 0.11 0.09 0.00 0.00 178.44 179.79 2qkf h LYS 76 N 0.49 0.82 -0.12 1.13 1.57 -1.20 -0.03 116.57 119.23 2qkf h LYS 76 Ca 0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qkf h LYS 76 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2qkf h LYS 76 CO 0.06 0.59 0.07 0.82 -0.57 0.00 0.00 179.45 180.42 2qkf h ILE 77 N 0.82 1.09 -0.73 1.86 2.04 -0.88 -1.77 117.51 119.94 2qkf h ILE 77 Ca 0.22 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2qkf h ILE 77 Cb -0.02 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2qkf h ILE 77 CO -0.04 0.09 0.41 -0.26 0.00 0.00 0.00 178.15 178.35 2qkf h PHE 78 N 0.10 0.76 -0.80 1.37 0.05 -1.02 -0.68 116.94 116.72 2qkf h PHE 78 Ca 0.04 0.03 0.07 0.00 3.82 0.00 0.00 57.97 61.93 2qkf h PHE 78 Cb 0.08 -0.23 -0.06 0.00 2.00 0.00 0.00 35.95 37.73 2qkf h PHE 78 CO -0.04 0.35 0.47 0.93 -0.18 0.00 0.00 178.31 179.84 2qkf h GLU 79 N 0.75 0.80 -0.44 1.51 5.08 -0.68 -1.36 114.58 120.24 2qkf h GLU 79 Ca 0.33 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2qkf h GLU 79 Cb 0.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2qkf h GLU 79 CO -0.20 0.53 0.17 0.87 -1.00 0.00 0.00 179.01 179.39 2qkf h LYS 80 N 0.83 0.66 -0.33 2.33 1.79 -0.60 -1.63 116.57 119.63 2qkf h LYS 80 Ca 0.36 -0.12 0.02 0.00 -2.18 0.00 0.00 60.65 58.73 2qkf h LYS 80 Cb 0.25 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2qkf h LYS 80 CO -0.20 0.62 0.18 0.28 -1.08 0.00 0.00 179.45 179.25 2qkf h VAL 81 N 0.57 1.02 -0.28 0.50 2.07 -0.69 0.68 116.25 120.12 2qkf h VAL 81 Ca 0.15 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2qkf h VAL 81 Cb 0.20 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2qkf h VAL 81 CO -0.01 0.07 0.16 0.11 0.02 0.00 0.00 177.57 177.92 2qkf h LYS 82 N 0.38 0.39 -0.24 1.57 1.57 -1.18 -0.53 116.57 118.53 2qkf h LYS 82 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2qkf h LYS 82 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2qkf h LYS 82 CO -0.07 0.32 0.08 0.00 -0.57 0.00 0.00 179.45 179.21 2qkf h ALA 83 N 1.05 0.31 -0.27 3.86 0.00 -1.06 0.25 119.26 123.40 2qkf h ALA 83 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2qkf h ALA 83 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qkf h ALA 83 CO -0.02 -0.07 -0.07 1.49 0.00 0.00 0.00 179.25 180.58 2qkf h GLU 84 N 0.22 0.52 0.00 0.00 4.81 -0.72 -3.34 114.58 116.06 2qkf h GLU 84 Ca 0.08 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2qkf h GLU 84 Cb 0.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2qkf h GLU 84 CO -0.00 0.74 -1.56 1.19 -0.73 0.00 0.00 179.01 178.64 2qkf n PHE 85 N -4.52 0.00 -1.77 0.92 3.01 -0.22 -5.00 117.46 109.89 2qkf n PHE 85 Ca -0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.32 2qkf n PHE 85 Cb 0.31 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 2qkf n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qkf n GLY 86 N 1.46 0.52 3.75 1.37 0.00 0.88 -5.03 105.19 108.15 2qkf n GLY 86 Ca -0.02 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2qkf n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qkf s ILE 87 N -2.44 4.11 0.76 -0.61 -4.36 -1.25 -5.03 121.20 112.38 2qkf s ILE 87 Ca 0.00 -1.47 -0.12 0.00 -0.26 0.00 0.00 60.65 58.81 2qkf s ILE 87 Cb 0.00 -3.17 0.04 0.00 1.25 0.00 0.00 42.46 40.58 2qkf s ILE 87 CO 0.00 -0.28 1.12 -2.84 0.24 0.00 0.00 174.94 173.18 2qkf s PRO 88 N -3.54 2.44 0.21 0.37 0.02 -1.26 -4.47 135.00 128.76 2qkf s PRO 88 Ca 0.31 0.42 0.03 0.00 0.02 0.00 0.00 61.00 61.78 2qkf s PRO 88 Cb -0.08 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 2qkf s PRO 88 CO 0.23 -1.33 -0.01 0.14 -0.33 0.00 0.00 177.00 175.70 2qkf s VAL 89 N -3.36 0.93 -0.03 3.83 -7.23 -1.26 -2.12 120.40 111.15 2qkf s VAL 89 Ca 0.60 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2qkf s VAL 89 Cb -0.12 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2qkf s VAL 89 CO 0.52 -0.38 0.08 -0.51 -0.31 0.00 0.00 175.10 174.50 2qkf s ILE 90 N -3.49 -0.01 0.04 -0.62 2.07 -0.12 -1.63 121.20 117.43 2qkf s ILE 90 Ca 0.27 0.05 -0.09 0.00 -1.41 0.00 0.00 60.65 59.47 2qkf s ILE 90 Cb 0.06 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.51 2qkf s ILE 90 CO 0.07 0.02 0.18 0.28 -1.91 0.00 0.00 174.94 173.58 2qkf s THR 91 N 0.32 0.11 0.23 4.00 -1.32 -1.00 -2.64 115.64 115.35 2qkf s THR 91 Ca -0.02 -0.93 -0.12 0.00 -1.21 0.00 0.00 61.69 59.41 2qkf s THR 91 Cb -0.04 -0.91 -0.08 0.00 -1.51 0.00 0.00 72.50 69.97 2qkf s THR 91 CO -0.01 -0.51 0.59 1.51 -2.21 0.00 0.00 174.62 173.99 2qkf s ASP 92 N -2.09 6.71 -0.03 8.08 -4.77 -1.26 -0.30 116.67 123.01 2qkf s ASP 92 Ca -0.05 1.05 0.01 0.00 -3.30 0.00 0.00 52.55 50.26 2qkf s ASP 92 Cb -0.01 -2.28 0.01 0.00 -1.09 0.00 0.00 42.92 39.56 2qkf s ASP 92 CO -0.04 -0.06 -0.05 -0.69 0.70 0.00 0.00 175.17 175.03 2qkf s VAL 93 N -1.77 0.49 -0.22 2.11 1.01 -0.97 -4.74 120.40 116.30 2qkf s VAL 93 Ca 0.47 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2qkf s VAL 93 Cb -0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 2qkf s VAL 93 CO 0.20 0.19 0.26 0.00 0.00 0.00 0.00 175.10 175.74 2qkf n HIS 94 N 3.66 0.00 -4.18 5.22 1.44 -1.26 -4.55 115.22 115.54 2qkf n HIS 94 Ca -0.22 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.15 2qkf n HIS 94 Cb 0.53 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.51 2qkf n HIS 94 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qkf s GLU 95 N -1.03 3.53 0.27 -1.40 2.02 -1.26 -5.01 118.70 115.82 2qkf s GLU 95 Ca 0.02 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 2qkf s GLU 95 Cb 0.02 -2.97 0.59 0.00 0.10 0.00 0.00 34.13 31.87 2qkf s GLU 95 CO 0.11 0.03 1.65 -1.35 0.02 0.00 0.00 175.26 175.71 2qkf h PRO 96 N 7.40 0.19 0.00 0.39 0.11 -1.91 -1.43 132.00 136.76 2qkf h PRO 96 Ca -0.35 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 2qkf h PRO 96 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qkf h PRO 96 CO 0.60 0.13 -0.01 1.25 -0.21 0.00 0.00 178.00 179.77 2qkf h HIS 97 N 0.20 0.00 0.00 0.65 2.76 -1.96 -2.48 115.15 114.32 2qkf h HIS 97 Ca 0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2qkf h HIS 97 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2qkf h HIS 97 CO -0.31 0.01 -0.11 1.96 -1.30 0.00 0.00 177.93 178.18 2qkf h GLN 98 N 0.00 0.00 -0.33 5.26 4.20 -1.68 -3.39 115.11 119.17 2qkf h GLN 98 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2qkf h GLN 98 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2qkf h GLN 98 CO 0.00 0.00 0.19 0.00 -0.67 0.00 0.00 178.83 178.35 2qkf h GLN 100 N 0.39 -0.94 -0.44 0.00 -0.00 -1.79 -1.66 115.11 110.68 2qkf h GLN 100 Ca 0.13 0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 2qkf h GLN 100 Cb 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.68 2qkf h GLN 100 CO -0.07 -0.60 0.18 -1.00 0.00 0.00 0.00 178.83 177.34 2qkf h PRO 101 N -1.06 0.62 -0.62 -2.39 0.13 -1.81 -2.29 132.00 124.57 2qkf h PRO 101 Ca -0.10 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2qkf h PRO 101 Cb 0.76 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 2qkf h PRO 101 CO 0.16 0.50 0.40 0.28 -0.23 0.00 0.00 178.00 179.12 2qkf h VAL 102 N 0.62 1.13 0.00 1.56 2.07 -1.41 -2.55 116.25 117.66 2qkf h VAL 102 Ca 0.15 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2qkf h VAL 102 Cb 0.11 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2qkf h VAL 102 CO -0.02 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2qkf h ALA 103 N 1.24 1.00 0.00 1.67 0.00 -0.71 0.13 119.26 122.59 2qkf h ALA 103 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2qkf h ALA 103 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qkf h ALA 103 CO -0.07 0.00 -0.20 0.93 0.00 0.00 0.00 179.25 179.91 2qkf h GLU 104 N 0.00 0.00 0.00 0.00 4.39 -1.31 -3.38 114.58 114.29 2qkf h GLU 104 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qkf h GLU 104 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2qkf h GLU 104 CO 0.00 0.20 -0.99 0.28 -1.16 0.00 0.00 179.01 177.34 2qkf n VAL 105 N -3.77 0.00 -2.93 3.13 0.31 -0.50 -5.02 118.33 109.55 2qkf n VAL 105 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 2qkf n VAL 105 Cb 0.30 -1.20 -0.04 0.00 -0.91 0.00 0.00 33.84 31.99 2qkf n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qkf h ASP 107 N 7.53 0.65 -3.76 0.00 5.19 -1.83 -3.41 116.42 120.79 2qkf h ASP 107 Ca -0.27 -0.18 -0.68 0.00 -0.62 0.00 0.00 57.03 55.28 2qkf h ASP 107 Cb 1.12 -0.17 -0.31 0.00 0.18 0.00 0.00 39.33 40.15 2qkf h ASP 107 CO 0.84 0.65 -0.86 -0.69 -3.12 0.00 0.00 179.24 176.06 2qkf s VAL 108 N -5.52 2.24 -0.12 -1.35 1.01 -0.65 -3.64 120.40 112.36 2qkf s VAL 108 Ca -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 2qkf s VAL 108 Cb 0.11 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2qkf s VAL 108 CO 0.77 0.56 -0.02 -0.63 0.00 0.00 0.00 175.10 175.78 2qkf s ILE 109 N -0.02 4.04 -0.13 2.22 1.01 -0.50 -2.36 121.20 125.46 2qkf s ILE 109 Ca -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2qkf s ILE 109 Cb -0.15 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 2qkf s ILE 109 CO 0.05 0.54 -0.00 -1.58 0.00 0.00 0.00 174.94 173.95 2qkf s GLN 110 N -0.16 3.43 -0.42 2.79 0.74 0.59 -1.13 119.66 125.51 2qkf s GLN 110 Ca 0.04 -0.44 -0.18 0.00 0.05 0.00 0.00 55.36 54.83 2qkf s GLN 110 Cb -0.13 -2.92 0.02 0.00 1.10 0.00 0.00 33.01 31.08 2qkf s GLN 110 CO 0.02 0.45 0.46 -1.17 -0.55 0.00 0.00 175.29 174.50 2qkf s LEU 111 N -0.17 4.79 0.43 3.68 2.96 0.14 -2.30 118.68 128.20 2qkf s LEU 111 Ca 0.05 -0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 53.10 2qkf s LEU 111 Cb -0.13 -2.43 -0.09 0.00 0.50 0.00 0.00 46.19 44.05 2qkf s LEU 111 CO 0.02 -0.59 1.43 -2.84 -1.32 0.00 0.00 176.35 173.05 2qkf s PRO 112 N 2.21 3.78 0.22 0.98 0.02 -1.26 -2.74 135.00 138.22 2qkf s PRO 112 Ca 0.13 2.44 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 2qkf s PRO 112 Cb -0.17 -2.72 0.35 0.00 0.02 0.00 0.00 34.50 31.98 2qkf s PRO 112 CO 0.14 -0.75 1.71 0.00 -0.33 0.00 0.00 177.00 177.77 2qkf h ALA 113 N 2.47 0.83 0.00 -1.55 0.00 -1.92 -0.24 119.26 118.85 2qkf h ALA 113 Ca -0.51 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qkf h ALA 113 Cb 1.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2qkf h ALA 113 CO 0.62 -0.27 0.00 0.27 0.00 0.00 0.00 179.25 179.86 2qkf h PHE 114 N 0.32 0.00 -0.40 0.00 -5.15 -1.90 -2.28 116.94 107.53 2qkf h PHE 114 Ca 0.35 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.12 2qkf h PHE 114 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.70 2qkf h PHE 114 CO -0.22 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.37 2qkf n LEU 115 N -2.85 3.16 0.27 2.10 4.77 -0.13 -4.71 117.00 119.60 2qkf n LEU 115 Ca -0.01 -1.76 0.18 0.00 -0.03 0.00 0.00 56.01 54.39 2qkf n LEU 115 Cb 0.15 -0.27 0.93 0.00 -2.33 0.00 0.00 43.42 41.90 2qkf n LEU 115 CO 0.20 0.75 1.04 0.00 -1.33 0.00 0.00 177.39 178.05 2qkf h ALA 116 N 3.11 1.00 -0.01 -1.18 0.00 -1.02 0.18 119.26 121.33 2qkf h ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkf h ALA 116 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qkf h ALA 116 CO 0.00 0.00 -0.43 0.54 0.00 0.00 0.00 179.25 179.36 2qkf n ARG 117 N -2.80 1.44 -2.37 0.00 5.12 -1.26 -4.91 116.66 111.89 2qkf n ARG 117 Ca -0.02 -0.83 -0.39 0.00 -1.93 0.00 0.00 57.85 54.68 2qkf n ARG 117 Cb 0.10 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 2qkf n ARG 117 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qkf s GLN 118 N -2.20 3.03 0.25 5.56 -1.52 0.05 -4.88 119.66 119.94 2qkf s GLN 118 Ca 0.15 -0.10 -0.06 0.00 -1.95 0.00 0.00 55.36 53.40 2qkf s GLN 118 Cb 0.15 -4.45 0.46 0.00 -0.22 0.00 0.00 33.01 28.95 2qkf s GLN 118 CO 0.50 -2.42 1.66 1.15 -0.25 0.00 0.00 175.29 175.93 2qkf h THR 119 N 6.46 0.42 -0.76 -0.19 2.02 -1.91 -1.67 112.91 117.29 2qkf h THR 119 Ca -0.19 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2qkf h THR 119 Cb 1.08 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2qkf h THR 119 CO 1.28 0.03 0.42 0.44 0.37 0.00 0.00 175.52 178.06 2qkf h ASP 120 N 0.18 0.93 -0.19 4.18 3.32 -1.97 -1.29 116.42 121.57 2qkf h ASP 120 Ca 0.42 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.24 2qkf h ASP 120 Cb 0.74 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2qkf h ASP 120 CO -0.59 0.74 -0.49 0.25 -1.72 0.00 0.00 179.24 177.43 2qkf h LEU 121 N 1.05 0.77 -0.47 1.55 5.85 -1.74 -2.03 115.31 120.29 2qkf h LEU 121 Ca 0.27 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2qkf h LEU 121 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2qkf h LEU 121 CO -0.04 1.20 0.30 0.58 -0.34 0.00 0.00 178.44 180.14 2qkf h VAL 122 N 0.37 1.13 -0.27 1.05 2.07 -1.07 0.45 116.25 119.98 2qkf h VAL 122 Ca -0.01 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2qkf h VAL 122 Cb 1.11 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2qkf h VAL 122 CO 0.11 0.13 0.05 0.58 0.02 0.00 0.00 177.57 178.46 2qkf h VAL 123 N 0.63 1.23 -0.80 2.57 2.07 -1.25 0.70 116.25 121.41 2qkf h VAL 123 Ca 0.17 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qkf h VAL 123 Cb -0.05 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2qkf h VAL 123 CO -0.04 0.25 0.46 0.00 0.02 0.00 0.00 177.57 178.26 2qkf h ALA 124 N 0.87 1.31 -0.12 1.67 0.00 -1.16 -0.88 119.26 120.95 2qkf h ALA 124 Ca 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2qkf h ALA 124 Cb 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qkf h ALA 124 CO 0.00 0.58 -0.18 1.98 0.00 0.00 0.00 179.25 181.63 2qkf h MET 125 N 1.10 0.34 -0.47 0.00 4.05 -0.73 -3.18 114.93 116.04 2qkf h MET 125 Ca 0.28 -0.20 0.08 0.00 -0.28 0.00 0.00 59.70 59.58 2qkf h MET 125 Cb -0.02 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 2qkf h MET 125 CO -0.05 0.78 0.11 0.00 0.23 0.00 0.00 176.91 177.98 2qkf h ALA 126 N 0.56 0.54 0.00 0.39 0.00 -0.59 -2.52 119.26 117.63 2qkf h ALA 126 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qkf h ALA 126 Cb 0.75 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2qkf h ALA 126 CO 0.04 -0.29 0.00 0.87 0.00 0.00 0.00 179.25 179.87 2qkf h LYS 127 N 0.25 0.00 0.00 0.00 1.79 -1.18 -1.11 116.57 116.32 2qkf h LYS 127 Ca 0.23 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 2qkf h LYS 127 Cb 0.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2qkf h LYS 127 CO -0.29 0.00 -0.17 1.79 -1.08 0.00 0.00 179.45 179.70 2qkf h THR 128 N 0.00 0.89 0.00 -0.16 1.35 -1.43 -3.46 112.91 110.10 2qkf h THR 128 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2qkf h THR 128 Cb 0.22 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2qkf h THR 128 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2qkf n GLY 129 N -0.85 0.76 3.84 5.82 0.00 -0.42 -5.03 105.19 109.31 2qkf n GLY 129 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2qkf n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qkf s ASN 130 N -2.73 5.24 0.28 1.61 -0.87 -1.26 -4.99 114.94 112.21 2qkf s ASN 130 Ca 0.00 1.39 -0.30 0.00 -1.57 0.00 0.00 52.86 52.37 2qkf s ASN 130 Cb 0.00 -2.23 -0.12 0.00 -0.02 0.00 0.00 41.25 38.88 2qkf s ASN 130 CO 0.00 -1.50 1.50 0.52 -2.57 0.00 0.00 177.10 175.05 2qkf n VAL 131 N -3.14 1.08 -5.07 1.60 0.31 -1.24 -4.79 118.33 107.07 2qkf n VAL 131 Ca 0.07 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 2qkf n VAL 131 Cb 0.55 -1.75 -0.17 0.00 -0.91 0.00 0.00 33.84 31.56 2qkf n VAL 131 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qkf s VAL 132 N -0.12 1.82 -0.36 2.52 1.01 -0.11 -1.41 120.40 123.75 2qkf s VAL 132 Ca 0.65 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 2qkf s VAL 132 Cb -0.56 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2qkf s VAL 132 CO 0.50 0.51 0.25 0.21 0.00 0.00 0.00 175.10 176.57 2qkf s ASN 133 N 0.23 5.99 -0.38 3.32 2.47 -0.29 -0.46 114.94 125.83 2qkf s ASN 133 Ca -0.12 -0.63 -0.18 0.00 0.42 0.00 0.00 52.86 52.35 2qkf s ASN 133 Cb -0.16 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.53 2qkf s ASN 133 CO 0.06 -0.31 0.47 -0.63 -3.72 0.00 0.00 177.10 172.97 2qkf s ILE 134 N 1.68 5.05 -0.11 -5.21 1.01 0.12 -0.69 121.20 123.06 2qkf s ILE 134 Ca 0.05 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.50 2qkf s ILE 134 Cb -0.18 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2qkf s ILE 134 CO 0.10 -0.29 0.85 -0.54 0.00 0.00 0.00 174.94 175.05 2qkf s LYS 135 N 2.29 4.39 -0.25 2.79 1.02 -1.11 -0.05 119.74 128.82 2qkf s LYS 135 Ca 0.16 1.10 -0.29 0.00 0.02 0.00 0.00 55.97 56.96 2qkf s LYS 135 Cb -0.16 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 2qkf s LYS 135 CO 0.14 -0.19 1.15 0.21 -0.92 0.00 0.00 175.35 175.74 2qkf s LYS 136 N 1.62 4.13 0.49 1.68 2.20 -0.21 -4.22 119.74 125.43 2qkf s LYS 136 Ca 0.42 1.33 -0.22 0.00 -0.36 0.00 0.00 55.97 57.13 2qkf s LYS 136 Cb -0.18 -3.74 -0.09 0.00 -1.51 0.00 0.00 37.83 32.31 2qkf s LYS 136 CO 0.17 -0.82 0.97 -2.30 -0.36 0.00 0.00 175.35 173.01 2qkf n PRO 137 N 6.74 1.18 0.30 4.03 -0.02 -1.26 -4.43 135.00 141.53 2qkf n PRO 137 Ca 0.13 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.23 2qkf n PRO 137 Cb 0.46 -2.07 0.86 0.00 -0.02 0.00 0.00 33.50 32.72 2qkf n PRO 137 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2qkf h GLN 138 N 1.14 0.00 -0.14 -0.52 3.07 -1.93 -2.47 115.11 114.26 2qkf h GLN 138 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 2qkf h GLN 138 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2qkf h GLN 138 CO 0.54 0.02 0.00 1.97 0.09 0.00 0.00 178.83 181.45 2qkf n PHE 139 N -3.14 0.16 -4.18 0.06 1.16 -1.26 -1.42 117.46 108.84 2qkf n PHE 139 Ca -0.01 -0.08 -0.35 0.00 -1.87 0.00 0.00 57.45 55.15 2qkf n PHE 139 Cb 0.23 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.01 2qkf n PHE 139 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2qkf s LEU 140 N -1.82 3.75 0.60 5.98 1.43 -0.93 -5.04 118.68 122.65 2qkf s LEU 140 Ca 0.33 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 2qkf s LEU 140 Cb 0.21 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2qkf s LEU 140 CO 0.31 0.30 1.07 -0.94 0.23 0.00 0.00 176.35 177.32 2qkf s SER 141 N -0.38 5.66 0.49 2.29 1.04 -1.26 -4.83 113.70 116.71 2qkf s SER 141 Ca 0.08 1.88 0.17 0.00 0.48 0.00 0.00 55.95 58.56 2qkf s SER 141 Cb -0.12 -2.54 1.21 0.00 0.10 0.00 0.00 66.02 64.67 2qkf s SER 141 CO 0.02 -1.25 2.06 1.55 0.98 0.00 0.00 173.24 176.60 2qkf h PRO 142 N 0.44 0.15 0.00 4.02 0.13 -1.96 -0.96 132.00 133.82 2qkf h PRO 142 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qkf h PRO 142 Cb 1.23 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qkf h PRO 142 CO 0.57 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 177.30 2qkf n SER 143 N -4.47 0.00 -0.17 1.44 3.41 -1.26 -2.42 113.62 110.15 2qkf n SER 143 Ca 0.04 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 2qkf n SER 143 Cb 0.29 -0.45 0.38 0.00 -0.26 0.00 0.00 64.21 64.16 2qkf n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qkf n GLN 144 N -1.45 0.61 0.08 4.33 6.02 -0.36 -4.04 117.38 122.56 2qkf n GLN 144 Ca 0.06 -0.34 0.02 0.00 -0.01 0.00 0.00 57.00 56.73 2qkf n GLN 144 Cb 0.23 -1.49 0.38 0.00 1.02 0.00 0.00 30.24 30.37 2qkf n GLN 144 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2qkf h MET 145 N 0.83 0.34 -0.71 -1.09 2.86 -1.55 -2.77 114.93 112.84 2qkf h MET 145 Ca 0.00 -0.07 0.16 0.00 -2.06 0.00 0.00 59.70 57.73 2qkf h MET 145 Cb 0.49 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2qkf h MET 145 CO 0.00 0.41 0.49 1.57 1.06 0.00 0.00 176.91 180.43 2qkf h LYS 146 N 0.33 0.29 -0.27 1.72 2.10 -1.78 -1.01 116.57 117.96 2qkf h LYS 146 Ca 0.07 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.54 2qkf h LYS 146 Cb 0.30 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2qkf h LYS 146 CO 0.01 0.19 -0.47 -0.91 -2.00 0.00 0.00 179.45 176.27 2qkf h ASN 147 N 0.30 0.88 -0.10 7.07 -0.26 -1.76 0.13 115.58 121.84 2qkf h ASN 147 Ca 0.35 -0.53 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 2qkf h ASN 147 Cb 0.94 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.94 2qkf h ASN 147 CO -0.09 1.24 0.04 0.40 -1.06 0.00 0.00 177.43 177.96 2qkf h ILE 148 N 0.55 1.12 -0.69 2.81 2.04 -1.45 -2.31 117.51 119.58 2qkf h ILE 148 Ca 0.02 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.62 2qkf h ILE 148 Cb 1.08 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 38.26 2qkf h ILE 148 CO 0.11 0.11 0.28 0.58 0.00 0.00 0.00 178.15 179.23 2qkf h VAL 149 N 0.02 0.74 -0.97 1.67 2.07 -1.13 -1.78 116.25 116.87 2qkf h VAL 149 Ca 0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2qkf h VAL 149 Cb 0.13 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2qkf h VAL 149 CO -0.00 0.08 0.64 -0.33 0.02 0.00 0.00 177.57 177.98 2qkf h GLU 150 N 0.46 1.22 -0.39 1.57 5.08 -0.66 -0.78 114.58 121.09 2qkf h GLU 150 Ca 0.36 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2qkf h GLU 150 Cb 0.47 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qkf h GLU 150 CO -0.34 0.81 -0.08 0.87 -1.00 0.00 0.00 179.01 179.27 2qkf h LYS 151 N 1.26 0.74 -0.53 2.33 1.57 -0.80 0.47 116.57 121.60 2qkf h LYS 151 Ca 0.38 -0.28 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2qkf h LYS 151 Cb -0.05 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.16 2qkf h LYS 151 CO -0.11 0.87 0.23 0.74 -0.57 0.00 0.00 179.45 180.62 2qkf h PHE 152 N 0.54 0.41 -0.36 -1.35 -1.00 -0.94 -2.09 116.94 112.15 2qkf h PHE 152 Ca 0.10 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2qkf h PHE 152 Cb 0.59 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 2qkf h PHE 152 CO 0.05 0.16 0.24 0.45 -1.61 0.00 0.00 178.31 177.60 2qkf h HIS 153 N 0.44 0.46 -0.93 -0.55 3.86 -0.86 -1.49 115.15 116.07 2qkf h HIS 153 Ca 0.25 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.63 2qkf h HIS 153 Cb 0.23 -0.15 -0.10 0.00 1.06 0.00 0.00 27.41 28.45 2qkf h HIS 153 CO -0.13 0.29 0.53 0.93 0.86 0.00 0.00 177.93 180.41 2qkf h GLU 154 N 0.49 0.71 -0.04 2.45 5.08 -0.75 -1.12 114.58 121.40 2qkf h GLU 154 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qkf h GLU 154 Cb -0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2qkf h GLU 154 CO -0.03 0.47 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 2qkf n ALA 155 N -2.38 2.61 -0.34 3.43 0.00 -0.80 -4.93 120.51 118.09 2qkf n ALA 155 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qkf n ALA 155 Cb 0.47 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2qkf n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkf n GLY 156 N 1.01 0.79 2.95 0.00 0.00 -0.42 -4.37 105.19 105.15 2qkf n GLY 156 Ca 0.19 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2qkf n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qkf s ASN 157 N -2.29 2.12 0.00 1.61 3.84 -0.70 -4.99 114.94 114.53 2qkf s ASN 157 Ca 0.00 -0.32 0.04 0.00 0.21 0.00 0.00 52.86 52.79 2qkf s ASN 157 Cb 0.00 -0.87 0.10 0.00 -0.55 0.00 0.00 41.25 39.93 2qkf s ASN 157 CO 0.00 -0.07 1.05 0.61 -2.79 0.00 0.00 177.10 175.90 2qkf n GLY 158 N 4.64 2.63 2.82 1.21 0.00 -1.26 -3.44 105.19 111.79 2qkf n GLY 158 Ca -0.16 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2qkf n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qkf n LYS 159 N -0.14 3.36 -5.26 1.61 5.02 -1.26 -4.95 118.16 116.54 2qkf n LYS 159 Ca 0.04 -3.21 -0.31 0.00 -2.02 0.00 0.00 58.31 52.81 2qkf n LYS 159 Cb 0.29 -3.05 -0.16 0.00 -0.02 0.00 0.00 35.03 32.09 2qkf n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qkf s LEU 160 N 0.67 2.05 -0.06 -0.35 1.43 -1.26 -0.93 118.68 120.22 2qkf s LEU 160 Ca 0.42 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2qkf s LEU 160 Cb 0.11 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 2qkf s LEU 160 CO -0.03 0.29 -0.19 -0.63 0.23 0.00 0.00 176.35 176.02 2qkf s ILE 161 N -0.47 2.61 -0.17 -0.59 1.01 0.39 -4.12 121.20 119.86 2qkf s ILE 161 Ca 0.06 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 2qkf s ILE 161 Cb -0.11 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2qkf s ILE 161 CO 0.00 0.57 0.04 -0.76 0.00 0.00 0.00 174.94 174.79 2qkf s LEU 162 N -0.33 3.69 -0.26 2.97 1.43 -0.20 0.16 118.68 126.15 2qkf s LEU 162 Ca 0.02 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2qkf s LEU 162 Cb -0.13 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.23 2qkf s LEU 162 CO 0.02 0.18 -0.11 0.00 0.23 0.00 0.00 176.35 176.68 2qkf s GLU 164 N 1.11 4.44 0.00 0.00 2.56 -0.54 -1.04 118.70 125.22 2qkf s GLU 164 Ca -0.09 1.97 0.00 0.00 0.00 0.00 0.00 54.97 56.85 2qkf s GLU 164 Cb -0.20 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.71 2qkf s GLU 164 CO -0.05 -0.18 0.68 0.54 -0.56 0.00 0.00 175.26 175.70 2qkf n ARG 165 N 2.56 1.13 0.00 4.30 1.74 -1.26 -0.71 116.66 124.42 2qkf n ARG 165 Ca 0.05 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 2qkf n ARG 165 Cb 0.44 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 2qkf n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qkf n GLY 166 N -0.19 1.41 3.14 -0.13 0.00 -1.26 -3.46 105.19 104.70 2qkf n GLY 166 Ca 0.00 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 2qkf n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qkf s SER 167 N -0.36 1.61 0.20 1.61 0.01 0.19 -4.07 113.70 112.90 2qkf s SER 167 Ca 0.00 -0.47 -0.32 0.00 1.31 0.00 0.00 55.95 56.48 2qkf s SER 167 Cb 0.00 -0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 2qkf s SER 167 CO 0.00 0.02 1.65 -0.44 0.41 0.00 0.00 173.24 174.88 2qkf s SER 168 N -1.18 6.46 -0.36 2.44 0.01 -0.51 -0.90 113.70 119.65 2qkf s SER 168 Ca 0.01 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.05 2qkf s SER 168 Cb -0.08 -2.60 0.12 0.00 0.21 0.00 0.00 66.02 63.67 2qkf s SER 168 CO 0.01 -0.91 0.16 0.12 0.41 0.00 0.00 173.24 173.03 2qkf s PHE 169 N 1.05 1.79 0.00 2.43 5.36 -0.32 -4.82 117.98 123.47 2qkf s PHE 169 Ca 0.72 -2.02 0.00 0.00 -0.96 0.00 0.00 56.93 54.67 2qkf s PHE 169 Cb -0.47 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 2qkf s PHE 169 CO 0.33 -0.84 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 2qkf n GLY 170 N 4.30 2.06 3.73 13.12 0.00 -1.26 -3.87 105.19 123.27 2qkf n GLY 170 Ca 0.03 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 2qkf n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qkf s TYR 171 N 0.00 3.62 0.00 1.61 2.02 -1.26 -4.56 117.35 118.79 2qkf s TYR 171 Ca 0.00 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 2qkf s TYR 171 Cb 0.00 -2.73 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 2qkf s TYR 171 CO 0.00 0.19 0.00 -0.25 -1.57 0.00 0.00 175.55 173.92 2qkf n ASP 172 N 3.35 0.00 -4.78 2.29 8.00 -1.26 -4.94 116.55 119.20 2qkf n ASP 172 Ca -0.04 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.10 2qkf n ASP 172 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2qkf n ASP 172 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2qkf s ASN 173 N 0.00 7.30 0.02 -2.24 3.04 -1.25 -4.95 114.94 116.86 2qkf s ASN 173 Ca 0.00 1.82 0.05 0.00 0.04 0.00 0.00 52.86 54.77 2qkf s ASN 173 Cb 0.00 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.10 2qkf s ASN 173 CO 0.00 -0.09 -0.13 -0.76 -3.04 0.00 0.00 177.10 173.08 2qkf s LEU 174 N -2.15 2.84 0.02 3.21 1.43 -1.26 -1.17 118.68 121.60 2qkf s LEU 174 Ca 0.51 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 2qkf s LEU 174 Cb -0.18 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 2qkf s LEU 174 CO 0.23 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 176.20 2qkf s VAL 175 N -0.95 1.53 -0.29 -1.59 1.01 -0.08 -4.88 120.40 115.15 2qkf s VAL 175 Ca 0.16 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2qkf s VAL 175 Cb -0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2qkf s VAL 175 CO 0.06 0.25 0.29 -0.69 0.00 0.00 0.00 175.10 175.01 2qkf s VAL 176 N -0.68 5.24 -0.52 2.92 1.01 -1.26 -0.63 120.40 126.48 2qkf s VAL 176 Ca 0.07 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 2qkf s VAL 176 Cb -0.08 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2qkf s VAL 176 CO 0.01 0.15 0.96 -0.62 0.00 0.00 0.00 175.10 175.60 2qkf s ASP 177 N 1.71 6.42 0.59 3.32 2.15 -1.26 -4.89 116.67 124.71 2qkf s ASP 177 Ca 0.11 -0.10 0.36 0.00 0.43 0.00 0.00 52.55 53.34 2qkf s ASP 177 Cb -0.16 -2.45 1.87 0.00 -0.30 0.00 0.00 42.92 41.88 2qkf s ASP 177 CO 0.11 -1.18 2.20 0.24 -0.17 0.00 0.00 175.17 176.37 2qkf h MET 178 N 9.24 0.00 0.00 4.34 2.86 -1.98 -0.71 114.93 128.68 2qkf h MET 178 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2qkf h MET 178 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2qkf h MET 178 CO 1.07 0.04 0.00 -0.07 1.06 0.00 0.00 176.91 179.01 2qkf h LEU 179 N 0.00 0.00 -1.32 1.22 3.38 -2.02 -3.30 115.31 113.27 2qkf h LEU 179 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2qkf h LEU 179 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qkf h LEU 179 CO 0.00 0.00 -0.20 1.23 0.09 0.00 0.00 178.44 179.57 2qkf h GLY 180 N 3.07 0.22 0.78 0.83 0.00 -1.53 -2.77 103.07 103.67 2qkf h GLY 180 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2qkf h GLY 180 CO 0.00 0.14 0.11 0.74 0.00 0.00 0.00 176.54 177.53 2qkf h PHE 181 N 0.19 0.20 -0.64 5.60 -1.00 -1.72 -0.61 116.94 118.97 2qkf h PHE 181 Ca 0.04 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 2qkf h PHE 181 Cb 0.47 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 2qkf h PHE 181 CO 0.01 0.09 0.29 0.78 -1.61 0.00 0.00 178.31 177.87 2qkf h GLY 182 N 0.24 0.99 1.00 -1.45 0.00 -1.75 -1.43 103.07 100.68 2qkf h GLY 182 Ca 0.13 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2qkf h GLY 182 CO -0.12 0.48 0.46 -2.08 0.00 0.00 0.00 176.54 175.27 2qkf h VAL 183 N 0.88 1.17 -0.17 4.60 2.07 -1.20 -0.85 116.25 122.75 2qkf h VAL 183 Ca 0.22 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2qkf h VAL 183 Cb 0.14 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2qkf h VAL 183 CO -0.02 0.17 0.06 0.24 0.02 0.00 0.00 177.57 178.03 2qkf h MET 184 N 0.93 0.25 -0.42 1.57 2.86 -0.88 -1.81 114.93 117.43 2qkf h MET 184 Ca 0.25 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 2qkf h MET 184 Cb -0.10 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 2qkf h MET 184 CO -0.06 0.36 0.07 0.87 1.06 0.00 0.00 176.91 179.21 2qkf h LYS 185 N 0.10 0.19 -0.33 1.72 1.57 -1.10 -0.34 116.57 118.39 2qkf h LYS 185 Ca 0.05 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2qkf h LYS 185 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2qkf h LYS 185 CO -0.00 0.13 -0.35 1.96 -0.57 0.00 0.00 179.45 180.62 2qkf h GLN 186 N 0.20 0.75 0.00 3.15 1.08 -1.04 0.11 115.11 119.35 2qkf h GLN 186 Ca 0.21 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2qkf h GLN 186 Cb 0.26 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2qkf h GLN 186 CO -0.28 0.98 -1.05 0.25 -0.95 0.00 0.00 178.83 177.78 2qkf n THR 187 N -4.06 0.48 -1.25 -0.54 -2.24 -0.69 -4.32 114.28 101.65 2qkf n THR 187 Ca -0.01 -0.47 0.04 0.00 -2.27 0.00 0.00 64.05 61.33 2qkf n THR 187 Cb 0.50 -0.21 0.21 0.00 -2.10 0.00 0.00 70.33 68.73 2qkf n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qkf n GLY 189 N -0.99 -0.09 4.04 0.00 0.00 -1.19 -3.35 105.19 103.62 2qkf n GLY 189 Ca 0.25 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2qkf n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qkf n ASN 190 N -0.86 -3.53 -4.72 1.61 5.15 0.36 -4.10 115.26 109.18 2qkf n ASN 190 Ca -0.09 -0.90 -0.35 0.00 -0.60 0.00 0.00 54.58 52.64 2qkf n ASN 190 Cb 0.58 -3.33 0.09 0.00 -0.53 0.00 0.00 39.78 36.60 2qkf n ASN 190 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qkf s LEU 191 N -7.22 3.35 0.13 1.20 1.43 -1.21 -0.67 118.68 115.70 2qkf s LEU 191 Ca 0.60 2.43 -0.35 0.00 -1.03 0.00 0.00 54.13 55.78 2qkf s LEU 191 Cb -0.31 -4.60 -0.15 0.00 0.03 0.00 0.00 46.19 41.16 2qkf s LEU 191 CO 0.88 -2.28 1.51 -2.65 0.23 0.00 0.00 176.35 174.04 2qkf n PRO 192 N -2.62 1.84 -5.07 1.29 -0.02 -1.25 -4.84 135.00 124.34 2qkf n PRO 192 Ca 0.14 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 2qkf n PRO 192 Cb 0.50 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.42 2qkf n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qkf s VAL 193 N 0.82 2.40 0.26 -1.45 1.01 -1.26 -1.03 120.40 121.14 2qkf s VAL 193 Ca 0.81 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.97 2qkf s VAL 193 Cb -0.76 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2qkf s VAL 193 CO 0.41 0.55 -0.13 0.27 0.00 0.00 0.00 175.10 176.20 2qkf s ILE 194 N 0.30 1.95 -0.24 2.22 -4.36 0.06 -0.97 121.20 120.15 2qkf s ILE 194 Ca -0.15 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.02 2qkf s ILE 194 Cb -0.17 -2.27 0.06 0.00 1.25 0.00 0.00 42.46 41.33 2qkf s ILE 194 CO 0.07 -0.43 -0.10 0.12 0.24 0.00 0.00 174.94 174.84 2qkf s PHE 195 N -2.83 2.97 -1.10 1.37 5.36 -0.48 -1.47 117.98 121.80 2qkf s PHE 195 Ca 0.27 -2.10 -0.22 0.00 -0.96 0.00 0.00 56.93 53.93 2qkf s PHE 195 Cb -0.00 -1.82 0.04 0.00 -0.34 0.00 0.00 43.02 40.90 2qkf s PHE 195 CO 0.11 -0.84 1.58 0.34 -1.46 0.00 0.00 175.22 174.95 2qkf s ASP 196 N 1.20 6.46 0.19 6.13 -1.08 0.11 -0.50 116.67 129.19 2qkf s ASP 196 Ca -0.07 -1.69 -0.07 0.00 -0.52 0.00 0.00 52.55 50.20 2qkf s ASP 196 Cb -0.19 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 38.81 2qkf s ASP 196 CO -0.06 -1.55 1.63 0.58 0.52 0.00 0.00 175.17 176.29 2qkf h VAL 197 N 6.46 1.27 -0.11 1.11 2.07 -1.67 -2.67 116.25 122.71 2qkf h VAL 197 Ca 0.26 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2qkf h VAL 197 Cb 0.97 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2qkf h VAL 197 CO 1.42 0.44 0.05 0.74 0.02 0.00 0.00 177.57 180.23 2qkf h THR 198 N 0.85 1.12 0.00 2.57 2.02 -1.89 -2.30 112.91 115.29 2qkf h THR 198 Ca 0.14 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2qkf h THR 198 Cb 0.65 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2qkf h THR 198 CO 0.05 0.10 -0.04 1.41 0.37 0.00 0.00 175.52 177.41 2qkf n HIS 199 N -4.94 0.28 0.26 3.16 8.25 -1.23 -2.13 115.22 118.87 2qkf n HIS 199 Ca -0.05 0.08 0.16 0.00 -0.26 0.00 0.00 57.72 57.64 2qkf n HIS 199 Cb 0.09 -0.62 0.56 0.00 1.12 0.00 0.00 29.99 31.14 2qkf n HIS 199 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2qkf h SER 200 N 0.00 0.00 -0.65 0.41 0.02 -1.05 -2.59 113.55 109.69 2qkf h SER 200 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2qkf h SER 200 Cb 0.58 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 2qkf h SER 200 CO 0.00 0.02 0.13 0.18 -1.14 0.00 0.00 176.83 176.02 2qkf n LEU 201 N -3.12 5.89 0.00 5.07 4.77 -0.91 -4.74 117.00 123.97 2qkf n LEU 201 Ca 0.01 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 2qkf n LEU 201 Cb 0.36 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2qkf n LEU 201 CO 0.29 0.72 0.00 0.00 -1.33 0.00 0.00 177.39 177.07 2qkf n GLN 202 N 0.22 0.00 0.00 3.23 3.00 -0.98 -5.08 117.38 117.78 2qkf n GLN 202 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2qkf n GLN 202 Cb 1.29 -0.46 0.00 0.00 0.00 0.00 0.00 30.24 31.07 2qkf n GLN 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qkf n GLY 213 N 0.00 0.17 0.26 1.08 0.00 -1.26 -4.70 105.19 100.74 2qkf n GLY 213 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 2qkf n GLY 213 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qkf h ARG 214 N 0.00 0.57 -0.47 1.61 9.65 -2.05 -1.91 114.38 121.79 2qkf h ARG 214 Ca 0.00 -0.19 -0.13 0.00 -1.10 0.00 0.00 59.98 58.56 2qkf h ARG 214 Cb 0.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2qkf h ARG 214 CO 0.00 0.71 -0.22 0.00 2.80 0.00 0.00 179.97 183.26 2qkf h ARG 215 N 0.52 0.96 -0.55 0.20 -0.00 -2.05 -1.06 114.38 112.40 2qkf h ARG 215 Ca 0.09 -0.41 -0.11 0.00 -0.50 0.00 0.00 59.98 59.05 2qkf h ARG 215 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.49 2qkf h ARG 215 CO 0.04 1.08 -0.08 0.00 0.00 0.00 0.00 179.97 181.00 2qkf h ALA 216 N 0.91 0.81 0.17 0.04 0.00 -1.97 -1.33 119.26 117.88 2qkf h ALA 216 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2qkf h ALA 216 Cb 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qkf h ALA 216 CO 0.07 0.67 -0.08 1.96 0.00 0.00 0.00 179.25 181.86 2qkf h GLN 217 N 0.91 -0.22 -0.93 0.00 4.20 -1.30 -2.46 115.11 115.31 2qkf h GLN 217 Ca 0.15 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.96 2qkf h GLN 217 Cb 0.64 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 2qkf h GLN 217 CO 0.04 -0.06 0.60 0.00 -0.67 0.00 0.00 178.83 178.75 2qkf h ALA 218 N 0.49 1.55 0.29 3.87 0.00 -1.14 -1.06 119.26 123.27 2qkf h ALA 218 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qkf h ALA 218 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qkf h ALA 218 CO 0.04 0.27 -0.14 1.25 0.00 0.00 0.00 179.25 180.67 2qkf h LEU 219 N 0.99 -0.33 -0.58 0.00 5.85 -1.15 0.37 115.31 120.46 2qkf h LEU 219 Ca 0.43 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.09 2qkf h LEU 219 Cb 0.33 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2qkf h LEU 219 CO -0.18 -0.05 0.22 0.44 -0.34 0.00 0.00 178.44 178.53 2qkf h ASP 220 N -0.63 0.23 -0.48 1.25 5.19 -1.13 0.08 116.42 120.92 2qkf h ASP 220 Ca -0.04 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 2qkf h ASP 220 Cb 0.45 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2qkf h ASP 220 CO 0.07 0.15 -0.13 0.25 -3.12 0.00 0.00 179.24 176.45 2qkf h LEU 221 N 0.41 0.95 -0.50 1.55 5.85 -1.18 -0.88 115.31 121.51 2qkf h LEU 221 Ca 0.28 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2qkf h LEU 221 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2qkf h LEU 221 CO -0.28 1.10 0.17 0.00 -0.34 0.00 0.00 178.44 179.09 2qkf h ALA 222 N 0.88 0.66 -0.27 1.25 0.00 -0.60 -1.39 119.26 119.80 2qkf h ALA 222 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qkf h ALA 222 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qkf h ALA 222 CO 0.05 0.30 0.07 -0.07 0.00 0.00 0.00 179.25 179.59 2qkf h LEU 223 N 0.68 0.40 -0.18 0.00 3.38 -0.85 -1.16 115.31 117.57 2qkf h LEU 223 Ca 0.16 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2qkf h LEU 223 Cb 0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2qkf h LEU 223 CO -0.01 0.52 -0.06 0.00 0.09 0.00 0.00 178.44 178.99 2qkf h ALA 224 N 0.89 0.11 -0.13 1.53 0.00 -1.03 -0.73 119.26 119.90 2qkf h ALA 224 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qkf h ALA 224 Cb 0.28 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qkf h ALA 224 CO 0.00 -0.49 0.06 0.78 0.00 0.00 0.00 179.25 179.60 2qkf h GLY 225 N -0.02 0.16 2.00 0.00 0.00 -1.10 -2.77 103.07 101.35 2qkf h GLY 225 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2qkf h GLY 225 CO -0.20 0.04 -0.13 -0.33 0.00 0.00 0.00 176.54 175.92 2qkf h MET 226 N 0.14 0.00 0.00 4.80 2.07 -1.01 -0.77 114.93 120.15 2qkf h MET 226 Ca 0.05 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2qkf h MET 226 Cb 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.74 2qkf h MET 226 CO -0.03 0.13 -0.01 0.00 1.07 0.00 0.00 176.91 178.07 2qkf h ALA 227 N 1.87 1.33 -0.02 6.32 0.00 -0.83 -2.42 119.26 125.50 2qkf h ALA 227 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qkf h ALA 227 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qkf h ALA 227 CO 0.02 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.53 2qkf n THR 228 N -3.57 0.02 -1.68 0.00 -2.24 -0.29 -4.98 114.28 101.54 2qkf n THR 228 Ca -0.03 -0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2qkf n THR 228 Cb 0.09 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2qkf n THR 228 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qkf n ARG 229 N -0.43 -0.47 -4.27 -0.78 0.63 -0.91 -4.94 116.66 105.49 2qkf n ARG 229 Ca 0.20 0.81 -0.23 0.00 -0.92 0.00 0.00 57.85 57.71 2qkf n ARG 229 Cb 0.21 -1.75 -0.12 0.00 0.45 0.00 0.00 32.46 31.25 2qkf n ARG 229 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2qkf s LEU 230 N -0.47 2.30 0.44 6.15 1.43 -1.26 -4.89 118.68 122.39 2qkf s LEU 230 Ca 0.01 -0.68 0.22 0.00 -1.03 0.00 0.00 54.13 52.64 2qkf s LEU 230 Cb -0.00 -0.81 1.02 0.00 0.03 0.00 0.00 46.19 46.42 2qkf s LEU 230 CO 0.11 0.03 1.90 0.00 0.23 0.00 0.00 176.35 178.62 2qkf h ALA 231 N 4.07 1.19 -1.95 4.21 0.00 -1.21 -3.43 119.26 122.16 2qkf h ALA 231 Ca -0.45 -0.23 0.25 0.00 0.00 0.00 0.00 54.91 54.48 2qkf h ALA 231 Cb 1.18 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2qkf h ALA 231 CO 0.40 0.31 0.65 0.20 0.00 0.00 0.00 179.25 180.82 2qkf s GLY 232 N -4.27 -0.30 -0.02 0.00 0.00 -1.23 -1.04 107.32 100.46 2qkf s GLY 232 Ca -0.02 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2qkf s GLY 232 CO 0.65 0.26 -0.03 -2.27 0.00 0.00 0.00 173.10 171.70 2qkf s LEU 233 N -3.00 1.58 -0.17 0.66 2.96 -0.56 -1.38 118.68 118.78 2qkf s LEU 233 Ca 0.14 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2qkf s LEU 233 Cb 0.01 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.43 2qkf s LEU 233 CO -0.00 -0.02 -0.17 0.12 -1.32 0.00 0.00 176.35 174.96 2qkf s PHE 234 N 0.50 2.46 -0.14 5.38 5.36 0.34 -0.69 117.98 131.20 2qkf s PHE 234 Ca -0.06 -1.44 0.01 0.00 -0.96 0.00 0.00 56.93 54.49 2qkf s PHE 234 Cb -0.09 -1.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.86 2qkf s PHE 234 CO -0.00 -0.74 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.35 2qkf s LEU 235 N 1.39 1.79 -1.27 6.12 1.43 0.84 -2.03 118.68 126.95 2qkf s LEU 235 Ca 0.05 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2qkf s LEU 235 Cb -0.13 -1.23 0.16 0.00 0.03 0.00 0.00 46.19 45.02 2qkf s LEU 235 CO -0.12 -0.02 1.76 1.21 0.23 0.00 0.00 176.35 179.41 2qkf n GLU 236 N 4.56 3.49 0.00 1.70 4.07 -1.26 -3.52 120.64 129.68 2qkf n GLU 236 Ca -0.18 -3.56 0.00 0.00 -0.06 0.00 0.00 57.16 53.36 2qkf n GLU 236 Cb 0.50 -3.00 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 2qkf n GLU 236 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2qkf n SER 237 N 4.71 0.00 0.00 4.31 2.88 -1.26 -4.97 113.62 119.28 2qkf n SER 237 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2qkf n SER 237 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2qkf n SER 237 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qkf n LEU 256 N 0.00 0.00 -0.18 2.46 -0.00 -1.26 -4.96 117.00 113.06 2qkf n LEU 256 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2qkf n LEU 256 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2qkf n LEU 256 CO 0.00 0.00 0.79 0.25 -0.00 0.00 0.00 177.39 178.43 2qkf h LEU 257 N 0.00 0.93 -0.34 1.47 5.85 -2.02 -2.25 115.31 118.95 2qkf h LEU 257 Ca 0.00 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2qkf h LEU 257 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2qkf h LEU 257 CO 0.00 1.03 0.16 -0.08 -0.34 0.00 0.00 178.44 179.21 2qkf h GLU 258 N 0.81 0.32 -0.85 1.25 4.81 -1.98 0.28 114.58 119.23 2qkf h GLU 258 Ca 0.14 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2qkf h GLU 258 Cb 0.57 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2qkf h GLU 258 CO 0.03 0.21 0.50 0.22 -0.73 0.00 0.00 179.01 179.25 2qkf h ASP 259 N 0.33 1.02 0.60 1.04 3.58 -1.97 0.44 116.42 121.47 2qkf h ASP 259 Ca 0.14 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2qkf h ASP 259 Cb 0.06 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2qkf h ASP 259 CO -0.11 0.80 -0.31 0.15 -2.88 0.00 0.00 179.24 176.88 2qkf h PHE 260 N 1.17 -0.82 -0.29 0.28 3.57 -1.10 -2.96 116.94 116.79 2qkf h PHE 260 Ca 0.30 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2qkf h PHE 260 Cb -0.04 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2qkf h PHE 260 CO -0.00 -0.50 0.11 -0.07 -2.23 0.00 0.00 178.31 175.63 2qkf h LEU 261 N -0.84 0.35 -0.69 0.59 3.38 -0.68 -1.74 115.31 115.68 2qkf h LEU 261 Ca -0.08 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qkf h LEU 261 Cb 0.66 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2qkf h LEU 261 CO 0.11 0.33 0.43 0.40 0.09 0.00 0.00 178.44 179.80 2qkf h ILE 262 N 0.40 1.09 -0.21 1.22 2.04 -0.83 0.15 117.51 121.37 2qkf h ILE 262 Ca 0.10 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 2qkf h ILE 262 Cb 0.09 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2qkf h ILE 262 CO -0.01 0.15 -0.33 0.03 0.00 0.00 0.00 178.15 177.99 2qkf h ARG 263 N 0.84 0.60 0.03 2.37 3.08 -1.22 -0.70 114.38 119.38 2qkf h ARG 263 Ca 0.28 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2qkf h ARG 263 Cb 0.02 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2qkf h ARG 263 CO -0.11 0.97 -0.01 0.82 -1.07 0.00 0.00 179.97 180.57 2qkf h ILE 264 N 0.29 1.02 -0.79 2.04 1.08 -1.18 -2.46 117.51 117.51 2qkf h ILE 264 Ca 0.02 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2qkf h ILE 264 Cb 0.92 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2qkf h ILE 264 CO 0.08 0.04 0.52 0.50 -0.69 0.00 0.00 178.15 178.59 2qkf h LYS 265 N -0.11 1.01 -0.10 2.37 3.64 -0.66 0.14 116.57 122.86 2qkf h LYS 265 Ca -0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2qkf h LYS 265 Cb 0.10 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2qkf h LYS 265 CO 0.01 0.67 -0.14 0.00 -2.27 0.00 0.00 179.45 177.72 2qkf h ALA 266 N 1.30 -0.08 -0.37 5.00 0.00 -0.99 0.43 119.26 124.55 2qkf h ALA 266 Ca 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2qkf h ALA 266 Cb -0.08 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qkf h ALA 266 CO -0.08 -0.60 0.13 1.25 0.00 0.00 0.00 179.25 179.95 2qkf h LEU 267 N -0.18 0.52 -0.53 0.00 5.85 -1.16 -2.40 115.31 117.40 2qkf h LEU 267 Ca 0.08 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2qkf h LEU 267 Cb 0.30 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2qkf h LEU 267 CO -0.21 0.57 0.30 -0.78 -0.34 0.00 0.00 178.44 177.98 2qkf h ASP 268 N 0.45 0.66 -0.69 1.25 3.58 -0.41 -0.82 116.42 120.43 2qkf h ASP 268 Ca 0.12 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2qkf h ASP 268 Cb 0.22 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 2qkf h ASP 268 CO -0.01 0.55 0.44 0.44 -2.88 0.00 0.00 179.24 177.78 2qkf h ASP 269 N 0.71 0.74 0.51 2.28 3.32 -0.87 -0.44 116.42 122.68 2qkf h ASP 269 Ca 0.19 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2qkf h ASP 269 Cb 0.03 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2qkf h ASP 269 CO -0.03 0.53 -0.25 0.25 -1.72 0.00 0.00 179.24 178.02 2qkf h LEU 270 N 0.88 -0.58 -0.12 1.55 5.85 -1.07 -2.52 115.31 119.30 2qkf h LEU 270 Ca 0.27 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2qkf h LEU 270 Cb -0.04 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2qkf h LEU 270 CO -0.08 -0.41 0.04 0.40 -0.34 0.00 0.00 178.44 178.05 2qkf h ILE 271 N -0.69 0.98 0.00 4.05 1.08 -1.01 -3.03 117.51 118.89 2qkf h ILE 271 Ca -0.07 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2qkf h ILE 271 Cb 0.53 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2qkf h ILE 271 CO 0.12 0.02 -0.05 0.11 -0.69 0.00 0.00 178.15 177.65 2qkf h LYS 272 N 0.11 0.00 -0.00 2.37 1.79 -1.11 -2.46 116.57 117.27 2qkf h LYS 272 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2qkf h LYS 272 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2qkf h LYS 272 CO -0.05 0.05 -0.07 -1.13 -1.08 0.00 0.00 179.45 177.17 2qkf n SER 273 N -3.18 0.20 -4.74 0.86 3.41 -0.95 -4.80 113.62 104.42 2qkf n SER 273 Ca 0.00 -0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.07 2qkf n SER 273 Cb 0.33 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 2qkf n SER 273 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qkf s GLN 274 N -2.63 3.03 0.69 4.33 -0.21 -0.93 -5.09 119.66 118.85 2qkf s GLN 274 Ca 0.25 -0.43 -0.15 0.00 0.02 0.00 0.00 55.36 55.05 2qkf s GLN 274 Cb 0.20 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.38 2qkf s GLN 274 CO 0.49 0.68 1.15 -1.25 -2.12 0.00 0.00 175.29 174.24 2qkf s PRO 275 N -1.31 2.53 0.64 2.91 0.04 -1.26 -4.99 135.00 133.56 2qkf s PRO 275 Ca 0.18 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 2qkf s PRO 275 Cb -0.12 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2qkf s PRO 275 CO 0.08 -1.49 1.19 0.42 0.04 0.00 0.00 177.00 177.23 2qkf s ILE 276 N -2.19 2.67 0.20 0.56 1.01 -1.26 -4.93 121.20 117.26 2qkf s ILE 276 Ca 0.70 0.37 -0.27 0.00 0.00 0.00 0.00 60.65 61.45 2qkf s ILE 276 Cb -0.24 -3.03 -0.17 0.00 0.01 0.00 0.00 42.46 39.04 2qkf s ILE 276 CO 0.43 -0.13 0.50 0.18 0.00 0.00 0.00 174.94 175.91 2qkf n LEU 277 N -2.04 -1.26 -4.75 2.97 4.77 -1.26 -4.92 117.00 110.51 2qkf n LEU 277 Ca 0.13 1.10 -0.40 0.00 -0.03 0.00 0.00 56.01 56.80 2qkf n LEU 277 Cb 0.50 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2qkf n LEU 277 CO 0.46 -2.96 0.73 -0.89 -1.33 0.00 0.00 177.39 173.40 2qkf s THR 278 N -0.99 3.82 -0.14 -5.08 2.01 -1.26 -5.32 115.64 108.67 2qkf s THR 278 Ca 0.63 1.77 0.01 0.00 0.31 0.00 0.00 61.69 64.40 2qkf s THR 278 Cb -0.90 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 67.49 2qkf s THR 278 CO 0.55 0.40 0.54 -0.38 -0.69 0.00 0.00 174.62 175.03