#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 6.39 -0.08 6.12 1.01 -1.26 -3.78 116.67 125.07 2qkf s ASP 2 Ca 0.00 0.51 0.04 0.00 0.71 0.00 0.00 52.55 53.81 2qkf s ASP 2 Cb 0.00 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 2qkf s ASP 2 CO 0.00 -0.14 -0.21 -0.63 0.21 0.00 0.00 175.17 174.40 2qkf s ILE 3 N -2.02 1.82 -0.14 0.77 1.01 0.48 -4.97 121.20 118.13 2qkf s ILE 3 Ca 0.41 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 2qkf s ILE 3 Cb -0.11 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2qkf s ILE 3 CO 0.30 0.51 0.57 -0.54 0.00 0.00 0.00 174.94 175.78 2qkf s LYS 4 N 0.26 4.30 -0.32 2.79 -0.14 -1.26 -0.56 119.74 124.80 2qkf s LYS 4 Ca -0.13 0.57 0.02 0.00 -1.36 0.00 0.00 55.97 55.06 2qkf s LYS 4 Cb -0.16 -3.50 0.10 0.00 -1.68 0.00 0.00 37.83 32.59 2qkf s LYS 4 CO 0.06 -0.02 0.06 0.42 -0.76 0.00 0.00 175.35 175.11 2qkf s ILE 5 N 1.19 1.66 0.00 2.17 1.01 0.10 -4.99 121.20 122.34 2qkf s ILE 5 Ca 0.29 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 59.03 2qkf s ILE 5 Cb -0.16 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2qkf s ILE 5 CO 0.12 -0.61 0.00 0.59 0.00 0.00 0.00 174.94 175.04 2qkf n ASN 6 N 4.52 0.00 -0.89 3.58 3.02 -1.26 -0.86 115.26 123.37 2qkf n ASN 6 Ca 0.01 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.66 2qkf n ASN 6 Cb 0.42 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.87 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 5.88 2.66 -4.74 6.41 8.00 -1.26 -4.90 116.55 128.60 2qkf n ASP 7 Ca 0.00 -1.90 -0.39 0.00 0.71 0.00 0.00 54.79 53.21 2qkf n ASP 7 Cb 0.00 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.55 4.97 -0.29 0.53 1.01 -0.04 -5.07 121.20 120.76 2qkf s ILE 8 Ca 0.35 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 2qkf s ILE 8 Cb 0.20 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2qkf s ILE 8 CO 0.28 0.35 0.19 -0.89 0.00 0.00 0.00 174.94 174.87 2qkf s THR 9 N 0.21 5.24 -0.20 2.92 2.01 -1.26 -0.73 115.64 123.84 2qkf s THR 9 Ca 0.33 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 2qkf s THR 9 Cb -0.18 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2qkf s THR 9 CO 0.17 0.20 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.08 2qkf s LEU 10 N 1.74 3.27 -0.18 4.42 2.96 0.27 -4.79 118.68 126.37 2qkf s LEU 10 Ca 0.07 -0.19 -0.35 0.00 -0.22 0.00 0.00 54.13 53.44 2qkf s LEU 10 Cb -0.16 -1.83 0.14 0.00 0.50 0.00 0.00 46.19 44.84 2qkf s LEU 10 CO 0.10 0.07 1.28 -0.83 -1.32 0.00 0.00 176.35 175.65 2qkf s GLY 11 N 0.95 -0.30 0.20 7.98 0.00 -1.26 -0.39 107.32 114.50 2qkf s GLY 11 Ca 0.01 1.49 0.22 0.00 0.00 0.00 0.00 44.72 46.44 2qkf s GLY 11 CO 0.02 0.47 1.68 0.70 0.00 0.00 0.00 173.10 175.96 2qkf n ASN 12 N -0.16 0.54 -0.79 1.64 3.02 -1.26 -1.30 115.26 116.95 2qkf n ASN 12 Ca -0.00 0.62 0.07 0.00 -0.03 0.00 0.00 54.58 55.24 2qkf n ASN 12 Cb 0.59 -0.74 0.19 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.08 3.12 -4.91 6.41 3.02 -1.26 -4.27 115.26 115.28 2qkf n ASN 13 Ca 0.03 -1.99 -0.22 0.00 -0.03 0.00 0.00 54.58 52.37 2qkf n ASN 13 Cb 0.24 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.01 6.00 0.33 6.41 0.01 -0.42 -5.00 113.70 120.02 2qkf s SER 14 Ca 0.28 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 2qkf s SER 14 Cb 0.15 -1.69 -0.13 0.00 0.21 0.00 0.00 66.02 64.56 2qkf s SER 14 CO 0.20 -0.04 1.17 -2.65 0.41 0.00 0.00 173.24 172.33 2qkf n PRO 15 N -1.17 1.79 -1.86 12.44 -0.02 -1.26 -4.81 135.00 140.11 2qkf n PRO 15 Ca -0.08 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 2qkf n PRO 15 Cb 0.57 -2.13 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.09 2.42 -0.17 6.00 -0.12 -1.26 -4.84 117.98 118.91 2qkf s PHE 16 Ca 0.57 1.37 -0.07 0.00 -0.05 0.00 0.00 56.93 58.75 2qkf s PHE 16 Cb -0.62 -3.77 -0.04 0.00 -0.63 0.00 0.00 43.02 37.96 2qkf s PHE 16 CO 0.61 -2.70 0.07 0.08 -0.05 0.00 0.00 175.22 173.23 2qkf s VAL 17 N -1.31 4.88 -0.24 -2.49 1.01 -0.37 -4.31 120.40 117.57 2qkf s VAL 17 Ca 0.68 -0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 2qkf s VAL 17 Cb -0.40 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2qkf s VAL 17 CO 0.48 0.48 0.76 -0.22 0.00 0.00 0.00 175.10 176.60 2qkf s LEU 18 N 0.19 4.08 -0.50 3.92 2.96 -0.15 -1.39 118.68 127.80 2qkf s LEU 18 Ca 0.05 0.93 -0.13 0.00 -0.22 0.00 0.00 54.13 54.76 2qkf s LEU 18 Cb -0.12 -3.08 0.11 0.00 0.50 0.00 0.00 46.19 43.61 2qkf s LEU 18 CO 0.00 -0.46 0.41 -0.36 -1.32 0.00 0.00 176.35 174.63 2qkf s PHE 19 N 2.68 3.31 -0.01 5.38 0.40 0.14 -0.68 117.98 129.20 2qkf s PHE 19 Ca 0.32 -1.44 0.01 0.00 -0.60 0.00 0.00 56.93 55.23 2qkf s PHE 19 Cb -0.15 -3.53 0.00 0.00 0.51 0.00 0.00 43.02 39.85 2qkf s PHE 19 CO 0.08 -0.96 -0.04 0.20 0.70 0.00 0.00 175.22 175.19 2qkf s GLY 20 N 3.02 0.25 0.00 4.36 0.00 -0.38 -0.67 107.32 113.91 2qkf s GLY 20 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2qkf s GLY 20 CO 0.02 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.65 2qkf n GLY 21 N 3.12 -0.40 3.35 0.20 0.00 -0.86 -1.73 105.19 108.87 2qkf n GLY 21 Ca -0.15 0.37 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 0.83 -0.02 -0.61 -4.36 -0.36 -1.18 121.20 115.50 2qkf s ILE 22 Ca 0.00 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.31 2qkf s ILE 22 Cb 0.00 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 2qkf s ILE 22 CO 0.00 -0.08 0.52 -1.13 0.24 0.00 0.00 174.94 174.48 2qkf h ASN 23 N 2.34 -0.22 -3.63 4.36 -1.24 -1.86 -3.34 115.58 111.98 2qkf h ASN 23 Ca -0.39 0.01 -0.56 0.00 0.71 0.00 0.00 56.30 56.07 2qkf h ASN 23 Cb 1.24 0.06 -0.32 0.00 0.73 0.00 0.00 38.32 40.02 2qkf h ASN 23 CO 0.64 -0.02 -0.83 -0.69 -1.29 0.00 0.00 177.43 175.24 2qkf s VAL 24 N -2.53 1.41 -0.17 2.57 1.01 -1.26 -1.56 120.40 119.87 2qkf s VAL 24 Ca -0.04 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2qkf s VAL 24 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2qkf s VAL 24 CO 0.11 0.41 1.66 -0.76 0.00 0.00 0.00 175.10 176.53 2qkf s LEU 25 N 0.32 4.00 -0.06 3.92 1.43 0.17 -4.84 118.68 123.62 2qkf s LEU 25 Ca -0.10 1.82 0.11 0.00 -1.03 0.00 0.00 54.13 54.93 2qkf s LEU 25 Cb -0.14 -3.53 -0.17 0.00 0.03 0.00 0.00 46.19 42.38 2qkf s LEU 25 CO 0.04 -1.20 0.17 -0.62 0.23 0.00 0.00 176.35 174.96 2qkf n GLU 26 N 7.57 1.16 -3.77 1.70 -0.58 -1.26 -1.48 120.64 123.97 2qkf n GLU 26 Ca 0.19 -0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.83 2qkf n GLU 26 Cb 0.44 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 30.01 2qkf n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qkf s SER 27 N -3.82 -0.18 -0.15 1.62 1.04 -1.26 -4.83 113.70 106.11 2qkf s SER 27 Ca -0.05 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 2qkf s SER 27 Cb 0.06 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 2qkf s SER 27 CO 0.48 -0.97 -0.11 0.25 0.98 0.00 0.00 173.24 173.87 2qkf h LEU 28 N 2.00 0.00 -0.66 2.42 5.85 -1.99 -3.34 115.31 119.59 2qkf h LEU 28 Ca -0.23 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 2qkf h LEU 28 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2qkf h LEU 28 CO 0.25 0.88 0.00 0.44 -0.34 0.00 0.00 178.44 179.67 2qkf h ASP 29 N -1.00 1.02 -0.34 1.25 3.32 -1.99 -1.44 116.42 117.24 2qkf h ASP 29 Ca -0.06 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.61 2qkf h ASP 29 Cb 0.64 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2qkf h ASP 29 CO -0.04 1.07 -0.15 -1.28 -1.72 0.00 0.00 179.24 177.12 2qkf h SER 30 N 0.96 0.72 -0.41 6.45 0.87 -2.00 -1.72 113.55 118.42 2qkf h SER 30 Ca 0.17 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2qkf h SER 30 Cb 0.55 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 2qkf h SER 30 CO 0.03 0.96 -0.11 0.74 -0.53 0.00 0.00 176.83 177.92 2qkf h THR 31 N 0.47 0.58 -0.59 2.23 2.02 -1.63 -0.95 112.91 115.03 2qkf h THR 31 Ca 0.08 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2qkf h THR 31 Cb 0.68 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2qkf h THR 31 CO 0.05 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 176.06 2qkf h LEU 32 N -0.01 0.81 -0.34 2.58 3.38 -1.10 -0.58 115.31 120.05 2qkf h LEU 32 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2qkf h LEU 32 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2qkf h LEU 32 CO -0.42 0.76 -0.08 1.56 0.09 0.00 0.00 178.44 180.34 2qkf h GLN 33 N 0.85 0.65 -0.05 1.13 4.20 -0.87 0.25 115.11 121.28 2qkf h GLN 33 Ca 0.19 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2qkf h GLN 33 Cb 0.24 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qkf h GLN 33 CO -0.01 0.82 0.02 1.15 -0.67 0.00 0.00 178.83 180.14 2qkf h THR 34 N 0.44 1.14 -0.78 -0.54 2.02 -1.02 -2.46 112.91 111.70 2qkf h THR 34 Ca 0.09 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.91 2qkf h THR 34 Cb 0.58 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 2qkf h THR 34 CO 0.03 0.11 0.48 0.00 0.37 0.00 0.00 175.52 176.52 2qkf h ALA 36 N 1.36 1.63 -0.13 0.00 0.00 -0.73 0.87 119.26 122.26 2qkf h ALA 36 Ca 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2qkf h ALA 36 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qkf h ALA 36 CO -0.15 0.25 -0.06 1.25 0.00 0.00 0.00 179.25 180.53 2qkf h HIS 37 N 0.86 0.31 -0.62 0.00 6.17 -0.90 -0.74 115.15 120.24 2qkf h HIS 37 Ca 0.34 -0.08 0.10 0.00 0.71 0.00 0.00 60.37 61.44 2qkf h HIS 37 Cb 0.24 -0.07 -0.07 0.00 2.52 0.00 0.00 27.41 30.02 2qkf h HIS 37 CO -0.00 0.60 0.22 1.88 0.71 0.00 0.00 177.93 181.35 2qkf h TYR 38 N -0.07 0.39 -0.29 5.26 -1.99 -0.92 -1.69 116.97 117.65 2qkf h TYR 38 Ca 0.03 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2qkf h TYR 38 Cb 0.52 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 2qkf h TYR 38 CO 0.07 0.09 0.16 0.28 -0.00 0.00 0.00 178.16 178.76 2qkf h VAL 39 N 0.40 1.12 -0.10 -2.88 2.07 -0.77 -1.38 116.25 114.72 2qkf h VAL 39 Ca 0.31 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2qkf h VAL 39 Cb 0.40 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2qkf h VAL 39 CO -0.32 0.12 0.06 -0.08 0.02 0.00 0.00 177.57 177.38 2qkf h GLU 40 N 0.36 0.13 -0.11 1.57 4.22 -0.83 -0.51 114.58 119.41 2qkf h GLU 40 Ca 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 2qkf h GLU 40 Cb 0.06 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2qkf h GLU 40 CO -0.02 0.11 0.04 0.28 -2.18 0.00 0.00 179.01 177.25 2qkf h VAL 41 N 0.11 1.16 -0.64 0.32 2.07 -1.32 -1.00 116.25 116.95 2qkf h VAL 41 Ca 0.04 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2qkf h VAL 41 Cb 0.01 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2qkf h VAL 41 CO -0.01 0.15 0.04 0.71 0.02 0.00 0.00 177.57 178.48 2qkf h THR 42 N 0.01 1.27 -0.63 2.57 1.35 -1.17 -2.20 112.91 114.10 2qkf h THR 42 Ca 0.04 -1.11 -0.07 0.00 -0.55 0.00 0.00 66.41 64.72 2qkf h THR 42 Cb 0.19 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.31 2qkf h THR 42 CO -0.00 0.41 0.13 0.03 -0.25 0.00 0.00 175.52 175.84 2qkf h ARG 43 N 1.00 1.01 -0.73 4.72 3.08 -1.08 0.23 114.38 122.61 2qkf h ARG 43 Ca 0.19 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2qkf h ARG 43 Cb 0.51 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2qkf h ARG 43 CO 0.02 0.91 0.47 -0.22 -1.07 0.00 0.00 179.97 180.09 2qkf h LYS 44 N 0.96 0.96 -0.01 0.04 3.64 -0.80 -2.84 116.57 118.52 2qkf h LYS 44 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2qkf h LYS 44 Cb 0.37 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2qkf h LYS 44 CO 0.01 0.64 -0.41 1.28 -2.27 0.00 0.00 179.45 178.70 2qkf n LEU 45 N -4.42 1.88 -1.88 5.20 4.77 -0.86 -4.98 117.00 116.71 2qkf n LEU 45 Ca 0.08 -0.67 -0.12 0.00 -0.03 0.00 0.00 56.01 55.26 2qkf n LEU 45 Cb 0.04 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2qkf n LEU 45 CO 0.36 0.35 0.04 0.61 -1.33 0.00 0.00 177.39 177.42 2qkf n GLY 46 N 1.40 0.07 3.53 -0.72 0.00 0.54 -5.02 105.19 104.98 2qkf n GLY 46 Ca 0.10 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.97 4.46 0.35 -0.61 1.01 0.30 -5.01 121.20 118.72 2qkf s ILE 47 Ca 0.21 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 2qkf s ILE 47 Cb -0.09 -3.04 -0.11 0.00 0.01 0.00 0.00 42.46 39.23 2qkf s ILE 47 CO 0.26 0.41 1.42 -2.84 0.00 0.00 0.00 174.94 174.19 2qkf s PRO 48 N 0.94 4.22 -0.03 2.79 0.02 -1.26 -4.52 135.00 137.15 2qkf s PRO 48 Ca 0.03 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 2qkf s PRO 48 Cb -0.14 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.39 2qkf s PRO 48 CO 0.03 -0.39 0.06 -0.47 -0.33 0.00 0.00 177.00 175.89 2qkf s TYR 49 N -1.05 -0.02 -0.13 6.54 5.04 -1.26 -0.98 117.35 125.50 2qkf s TYR 49 Ca 0.52 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 2qkf s TYR 49 Cb -0.44 -0.16 0.02 0.00 0.35 0.00 0.00 41.96 41.73 2qkf s TYR 49 CO 0.58 -0.10 -0.12 0.42 -1.34 0.00 0.00 175.55 174.99 2qkf s ILE 50 N 0.93 1.34 0.10 3.14 1.01 0.14 -4.27 121.20 123.59 2qkf s ILE 50 Ca -0.08 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2qkf s ILE 50 Cb -0.11 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2qkf s ILE 50 CO -0.03 0.42 1.06 0.12 0.00 0.00 0.00 174.94 176.51 2qkf s PHE 51 N 1.47 3.63 -0.03 3.97 5.36 -0.72 -1.24 117.98 130.42 2qkf s PHE 51 Ca 0.03 1.61 0.07 0.00 -0.96 0.00 0.00 56.93 57.68 2qkf s PHE 51 Cb -0.13 -3.21 -0.02 0.00 -0.34 0.00 0.00 43.02 39.32 2qkf s PHE 51 CO -0.08 -0.40 -0.25 0.21 -1.46 0.00 0.00 175.22 173.23 2qkf s LYS 52 N 0.32 2.27 -0.09 10.12 2.36 -0.70 -0.19 119.74 133.82 2qkf s LYS 52 Ca 0.51 -0.91 -0.30 0.00 -2.55 0.00 0.00 55.97 52.73 2qkf s LYS 52 Cb -0.26 -2.10 0.11 0.00 -1.05 0.00 0.00 37.83 34.53 2qkf s LYS 52 CO 0.31 0.51 0.90 0.00 1.55 0.00 0.00 175.35 178.62 2qkf s ALA 53 N -0.48 -1.87 -0.13 3.13 0.00 -1.15 -1.22 121.76 120.04 2qkf s ALA 53 Ca 0.06 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.29 2qkf s ALA 53 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2qkf s ALA 53 CO 0.00 -0.43 0.19 0.45 0.00 0.00 0.00 175.76 175.98 2qkf s SER 54 N -1.51 6.41 0.03 0.00 0.15 -0.60 -4.31 113.70 113.87 2qkf s SER 54 Ca -0.02 0.48 0.23 0.00 0.70 0.00 0.00 55.95 57.34 2qkf s SER 54 Cb -0.01 -2.11 0.10 0.00 -1.71 0.00 0.00 66.02 62.29 2qkf s SER 54 CO 0.00 0.30 1.08 2.22 1.20 0.00 0.00 173.24 178.05 2qkf n PHE 55 N 2.55 0.16 -3.22 3.44 1.16 -1.26 0.41 117.46 120.70 2qkf n PHE 55 Ca -0.17 0.05 -0.05 0.00 -1.87 0.00 0.00 57.45 55.40 2qkf n PHE 55 Cb 0.54 -0.32 -0.03 0.00 -1.61 0.00 0.00 39.48 38.05 2qkf n PHE 55 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2qkf s ASP 56 N -3.58 -0.67 -0.56 5.98 -1.08 -1.24 -0.77 116.67 114.74 2qkf s ASP 56 Ca 0.06 -1.15 -0.26 0.00 -0.52 0.00 0.00 52.55 50.67 2qkf s ASP 56 Cb 0.15 1.50 0.03 0.00 -1.46 0.00 0.00 42.92 43.14 2qkf s ASP 56 CO 0.79 -0.19 1.08 -0.75 0.52 0.00 0.00 175.17 176.62 2qkf s LYS 57 N 1.60 3.44 0.21 4.34 2.47 0.56 -4.89 119.74 127.46 2qkf s LYS 57 Ca 0.18 0.02 0.12 0.00 -1.56 0.00 0.00 55.97 54.73 2qkf s LYS 57 Cb -0.07 -4.03 -0.05 0.00 -1.46 0.00 0.00 37.83 32.23 2qkf s LYS 57 CO -0.06 -1.58 1.36 0.00 0.16 0.00 0.00 175.35 175.23 2qkf h ALA 58 N 9.43 0.55 -1.81 3.13 0.00 -1.99 -3.40 119.26 125.17 2qkf h ALA 58 Ca -0.25 -0.65 -0.68 0.00 0.00 0.00 0.00 54.91 53.33 2qkf h ALA 58 Cb 1.06 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.58 2qkf h ALA 58 CO 1.14 0.88 0.28 1.21 0.00 0.00 0.00 179.25 182.75 2qkf s ASN 59 N -6.53 6.18 0.16 0.00 2.47 -1.26 -5.03 114.94 110.92 2qkf s ASN 59 Ca 0.03 -1.28 0.11 0.00 0.42 0.00 0.00 52.86 52.14 2qkf s ASN 59 Cb 0.08 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.50 2qkf s ASN 59 CO 0.78 -1.24 -0.25 -0.13 -3.72 0.00 0.00 177.10 172.54 2qkf s ARG 60 N 3.19 1.43 0.28 0.43 0.52 -1.26 -5.06 118.95 118.49 2qkf s ARG 60 Ca 0.16 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2qkf s ARG 60 Cb -0.21 -1.83 0.40 0.00 0.52 0.00 0.00 34.95 33.83 2qkf s ARG 60 CO 0.07 0.42 1.81 0.66 0.02 0.00 0.00 175.30 178.28 2qkf h SER 61 N 3.57 0.74 -4.23 0.23 4.64 -1.96 -3.44 113.55 113.10 2qkf h SER 61 Ca -0.48 -0.15 -0.32 0.00 -0.47 0.00 0.00 61.79 60.37 2qkf h SER 61 Cb 1.19 -0.19 -0.16 0.00 -0.31 0.00 0.00 62.40 62.92 2qkf h SER 61 CO 0.43 0.76 -0.72 -0.44 -0.87 0.00 0.00 176.83 175.99 2qkf s SER 62 N -6.62 1.58 0.50 4.97 0.01 -1.26 -5.05 113.70 107.84 2qkf s SER 62 Ca -0.09 -0.90 0.22 0.00 1.31 0.00 0.00 55.95 56.48 2qkf s SER 62 Cb 0.15 0.00 1.31 0.00 0.21 0.00 0.00 66.02 67.69 2qkf s SER 62 CO 0.80 -0.30 2.06 0.16 0.41 0.00 0.00 173.24 176.37 2qkf h ILE 63 N 3.22 0.80 -0.16 1.44 3.07 -2.02 -3.06 117.51 120.80 2qkf h ILE 63 Ca -0.37 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.54 2qkf h ILE 63 Cb 1.19 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2qkf h ILE 63 CO 0.58 0.13 0.00 1.41 -1.05 0.00 0.00 178.15 179.21 2qkf n HIS 64 N -3.96 0.20 -1.83 0.16 8.25 -1.26 -4.97 115.22 111.82 2qkf n HIS 64 Ca -0.02 -0.19 -0.38 0.00 -0.26 0.00 0.00 57.72 56.87 2qkf n HIS 64 Cb 0.22 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.36 2qkf n HIS 64 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qkf s SER 65 N -1.03 5.19 0.06 0.41 1.04 -1.16 -4.88 113.70 113.34 2qkf s SER 65 Ca 0.19 2.68 -0.31 0.00 0.48 0.00 0.00 55.95 58.99 2qkf s SER 65 Cb 0.12 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 2qkf s SER 65 CO 0.16 -1.61 1.60 -0.47 0.98 0.00 0.00 173.24 173.90 2qkf s TYR 66 N -1.36 2.55 -0.01 5.02 5.04 -1.26 -4.87 117.35 122.46 2qkf s TYR 66 Ca 0.74 0.44 0.30 0.00 -2.44 0.00 0.00 57.07 56.11 2qkf s TYR 66 Cb -0.38 -3.90 1.07 0.00 0.35 0.00 0.00 41.96 39.10 2qkf s TYR 66 CO 0.44 -3.54 1.88 0.07 -1.34 0.00 0.00 175.55 173.05 2qkf h ARG 67 N 8.13 0.00 0.00 4.97 0.11 -1.89 -3.47 114.38 122.23 2qkf h ARG 67 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 2qkf h ARG 67 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2qkf h ARG 67 CO 0.92 0.04 0.00 0.41 0.10 0.00 0.00 179.97 181.45 2qkf n GLY 68 N 0.29 1.50 0.17 0.08 0.00 -1.26 -0.32 105.19 105.65 2qkf n GLY 68 Ca 0.01 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 0.41 0.00 0.00 1.61 -1.51 -1.27 -3.46 116.25 112.03 2qkf h VAL 69 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2qkf h VAL 69 Cb 0.00 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 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 -0.94 -0.96 0.34 5.19 0.00 0.05 -4.43 105.19 104.43 2qkf n GLY 70 Ca -0.01 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.13 -0.21 0.99 5.85 -1.94 0.13 115.31 119.01 2qkf h LEU 71 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2qkf h LEU 71 Cb 0.00 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2qkf h LEU 71 CO 0.00 -0.38 0.03 -0.33 -0.34 0.00 0.00 178.44 177.42 2qkf h GLU 72 N -0.51 0.34 -0.38 1.25 4.39 -1.99 -0.79 114.58 116.90 2qkf h GLU 72 Ca -0.00 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 2qkf h GLU 72 Cb 0.52 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2qkf h GLU 72 CO -0.21 0.50 -0.29 1.49 -1.16 0.00 0.00 179.01 179.34 2qkf h GLU 73 N 0.14 0.80 -0.37 2.33 4.57 -1.77 -2.69 114.58 117.59 2qkf h GLU 73 Ca 0.06 -0.36 0.03 0.00 -1.18 0.00 0.00 59.36 57.90 2qkf h GLU 73 Cb 0.32 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 2qkf h GLU 73 CO 0.00 0.99 0.19 0.78 -1.18 0.00 0.00 179.01 179.79 2qkf h GLY 74 N 0.93 0.50 1.22 1.92 0.00 -0.49 -1.10 103.07 106.05 2qkf h GLY 74 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2qkf h GLY 74 CO 0.07 0.10 0.15 1.41 0.00 0.00 0.00 176.54 178.27 2qkf h LEU 75 N 0.39 0.92 -0.53 3.11 3.38 -1.13 0.06 115.31 121.49 2qkf h LEU 75 Ca 0.16 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qkf h LEU 75 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2qkf h LEU 75 CO -0.10 0.89 0.35 0.50 0.09 0.00 0.00 178.44 180.16 2qkf h LYS 76 N 0.93 0.68 -0.55 1.13 3.64 -1.17 0.16 116.57 121.39 2qkf h LYS 76 Ca 0.20 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2qkf h LYS 76 Cb 0.33 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2qkf h LYS 76 CO 0.00 0.45 0.28 0.82 -2.27 0.00 0.00 179.45 178.73 2qkf h ILE 77 N 0.70 1.19 -0.83 2.00 2.04 -0.70 -1.65 117.51 120.27 2qkf h ILE 77 Ca 0.20 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2qkf h ILE 77 Cb -0.06 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2qkf h ILE 77 CO -0.06 0.21 0.43 -0.26 0.00 0.00 0.00 178.15 178.47 2qkf h PHE 78 N 0.74 1.15 -0.95 1.37 0.05 -0.51 -1.62 116.94 117.18 2qkf h PHE 78 Ca 0.19 -0.04 0.02 0.00 3.82 0.00 0.00 57.97 61.96 2qkf h PHE 78 Cb 0.08 -0.36 -0.05 0.00 2.00 0.00 0.00 35.95 37.62 2qkf h PHE 78 CO -0.01 0.82 0.62 0.93 -0.18 0.00 0.00 178.31 180.49 2qkf h GLU 79 N 1.16 1.21 -0.56 1.51 5.08 -0.38 -1.38 114.58 121.22 2qkf h GLU 79 Ca 0.29 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2qkf h GLU 79 Cb 0.07 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2qkf h GLU 79 CO -0.04 0.80 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.48 2qkf h LYS 80 N 1.25 1.04 -0.25 2.33 1.63 -0.77 -0.98 116.57 120.82 2qkf h LYS 80 Ca 0.36 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2qkf h LYS 80 Cb -0.09 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 2qkf h LYS 80 CO -0.09 1.06 0.15 0.28 -3.45 0.00 0.00 179.45 177.40 2qkf h VAL 81 N 0.93 1.09 -0.40 2.00 2.07 -0.93 0.99 116.25 122.00 2qkf h VAL 81 Ca 0.15 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2qkf h VAL 81 Cb 0.64 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2qkf h VAL 81 CO 0.04 0.09 0.20 0.11 0.02 0.00 0.00 177.57 178.03 2qkf h LYS 82 N 0.32 0.58 -0.36 1.57 1.57 -1.15 -0.47 116.57 118.63 2qkf h LYS 82 Ca 0.09 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2qkf h LYS 82 Cb 0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2qkf h LYS 82 CO -0.02 0.50 0.16 0.00 -0.57 0.00 0.00 179.45 179.52 2qkf h ALA 83 N 1.05 0.47 -0.13 3.86 0.00 -1.09 -0.55 119.26 122.86 2qkf h ALA 83 Ca 0.14 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2qkf h ALA 83 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qkf h ALA 83 CO -0.02 0.05 -0.77 1.49 0.00 0.00 0.00 179.25 180.01 2qkf h GLU 84 N 0.44 0.75 0.00 0.00 4.81 -0.64 -3.38 114.58 116.56 2qkf h GLU 84 Ca 0.12 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2qkf h GLU 84 Cb 0.15 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2qkf h GLU 84 CO -0.01 1.24 -0.82 1.19 -0.73 0.00 0.00 179.01 179.88 2qkf n PHE 85 N -3.98 0.00 -1.80 0.92 3.01 -0.20 -5.01 117.46 110.41 2qkf n PHE 85 Ca -0.08 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.26 2qkf n PHE 85 Cb 0.74 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 40.10 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 1.48 0.59 3.79 1.37 0.00 -0.22 -5.02 105.19 107.18 2qkf n GLY 86 Ca 0.01 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.54 4.36 0.72 -0.61 -4.36 -1.26 -5.06 121.20 112.46 2qkf s ILE 87 Ca 0.00 -1.29 -0.11 0.00 -0.26 0.00 0.00 60.65 58.99 2qkf s ILE 87 Cb 0.00 -3.29 0.03 0.00 1.25 0.00 0.00 42.46 40.45 2qkf s ILE 87 CO 0.00 -0.23 1.07 -2.84 0.24 0.00 0.00 174.94 173.19 2qkf s PRO 88 N -3.45 2.70 0.13 0.37 0.02 -1.26 -4.52 135.00 129.00 2qkf s PRO 88 Ca 0.32 0.75 0.06 0.00 0.02 0.00 0.00 61.00 62.15 2qkf s PRO 88 Cb -0.09 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 2qkf s PRO 88 CO 0.24 -1.22 -0.13 0.14 -0.33 0.00 0.00 177.00 175.69 2qkf s VAL 89 N -3.14 1.34 -0.01 3.83 -7.23 -1.26 -1.75 120.40 112.18 2qkf s VAL 89 Ca 0.59 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 2qkf s VAL 89 Cb -0.13 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.18 2qkf s VAL 89 CO 0.54 -0.48 -0.08 -0.51 -0.31 0.00 0.00 175.10 174.26 2qkf s ILE 90 N -2.39 0.65 0.13 -0.62 2.07 0.73 -1.70 121.20 120.06 2qkf s ILE 90 Ca 0.11 -0.34 -0.08 0.00 -1.41 0.00 0.00 60.65 58.93 2qkf s ILE 90 Cb -0.03 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 2qkf s ILE 90 CO 0.03 0.19 0.23 0.28 -1.91 0.00 0.00 174.94 173.76 2qkf s THR 91 N -0.11 0.10 0.22 4.00 -1.32 -1.05 -2.95 115.64 114.53 2qkf s THR 91 Ca 0.02 -1.31 0.05 0.00 -1.21 0.00 0.00 61.69 59.24 2qkf s THR 91 Cb -0.04 -1.61 -0.03 0.00 -1.51 0.00 0.00 72.50 69.31 2qkf s THR 91 CO -0.00 -0.47 0.31 1.51 -2.21 0.00 0.00 174.62 173.75 2qkf s ASP 92 N -2.92 6.15 0.03 8.08 -4.77 -1.26 -0.05 116.67 121.93 2qkf s ASP 92 Ca 0.12 0.03 0.05 0.00 -3.30 0.00 0.00 52.55 49.44 2qkf s ASP 92 Cb 0.04 -1.77 -0.02 0.00 -1.09 0.00 0.00 42.92 40.08 2qkf s ASP 92 CO -0.05 -0.03 -0.15 0.68 0.70 0.00 0.00 175.17 176.32 2qkf s VAL 93 N -1.94 1.17 -0.00 2.11 -7.23 -0.83 -4.78 120.40 108.89 2qkf s VAL 93 Ca 0.34 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2qkf s VAL 93 Cb -0.09 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.81 2qkf s VAL 93 CO 0.28 0.11 0.85 0.00 -0.31 0.00 0.00 175.10 176.02 2qkf n HIS 94 N 2.11 0.00 -3.85 2.82 1.44 -1.26 -4.34 115.22 112.13 2qkf n HIS 94 Ca -0.17 -0.35 -0.12 0.00 -2.01 0.00 0.00 57.72 55.07 2qkf n HIS 94 Cb 0.55 -0.04 -0.14 0.00 0.12 0.00 0.00 29.99 30.48 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 -0.71 0.05 0.35 -1.40 0.41 -1.26 -5.05 118.70 111.09 2qkf s GLU 95 Ca 0.00 0.06 0.12 0.00 -0.41 0.00 0.00 54.97 54.74 2qkf s GLU 95 Cb 0.00 0.02 0.91 0.00 -1.78 0.00 0.00 34.13 33.28 2qkf s GLU 95 CO 0.00 -0.01 1.79 -1.35 -0.49 0.00 0.00 175.26 175.20 2qkf h PRO 96 N 6.11 0.57 0.00 0.39 0.11 -1.91 -2.06 132.00 135.22 2qkf h PRO 96 Ca -0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2qkf h PRO 96 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qkf h PRO 96 CO 0.48 0.38 -0.11 1.12 -0.21 0.00 0.00 178.00 179.66 2qkf h HIS 97 N 0.59 0.00 0.00 0.65 2.07 -1.98 -2.42 115.15 114.06 2qkf h HIS 97 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 2qkf h HIS 97 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 2qkf h HIS 97 CO -0.00 0.11 0.00 1.96 -3.07 0.00 0.00 177.93 176.93 2qkf h GLN 98 N 0.00 0.00 0.41 5.12 4.20 -1.80 -3.39 115.11 119.65 2qkf h GLN 98 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2qkf h GLN 98 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2qkf h GLN 98 CO 0.01 0.00 -0.20 0.00 -0.67 0.00 0.00 178.83 177.98 2qkf h GLN 100 N -0.56 -0.89 -0.56 0.00 4.20 -1.77 -0.32 115.11 115.20 2qkf h GLN 100 Ca -0.06 0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2qkf h GLN 100 Cb 0.43 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 2qkf h GLN 100 CO 0.09 -0.60 0.37 -1.00 -0.67 0.00 0.00 178.83 177.03 2qkf h PRO 101 N -0.93 0.49 -0.10 1.46 0.13 -1.79 -2.04 132.00 129.22 2qkf h PRO 101 Ca -0.07 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 2qkf h PRO 101 Cb 0.77 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2qkf h PRO 101 CO 0.04 0.33 -0.38 0.28 -0.23 0.00 0.00 178.00 178.04 2qkf h VAL 102 N 0.51 1.39 0.00 1.56 2.07 -1.19 -3.18 116.25 117.41 2qkf h VAL 102 Ca 0.24 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2qkf h VAL 102 Cb 0.31 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2qkf h VAL 102 CO -0.07 0.51 -0.09 0.00 0.02 0.00 0.00 177.57 177.94 2qkf h ALA 103 N 0.47 1.66 0.00 1.67 0.00 -0.70 0.23 119.26 122.61 2qkf h ALA 103 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2qkf h ALA 103 Cb 1.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2qkf h ALA 103 CO 0.08 0.11 -0.22 0.93 0.00 0.00 0.00 179.25 180.15 2qkf h GLU 104 N 0.00 0.00 0.00 0.00 5.08 -1.35 -3.28 114.58 115.03 2qkf h GLU 104 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 2qkf h GLU 104 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2qkf h GLU 104 CO 0.01 0.22 -2.14 0.28 -1.00 0.00 0.00 179.01 176.38 2qkf n VAL 105 N -3.82 1.13 -3.40 3.13 0.31 -0.72 -5.02 118.33 109.94 2qkf n VAL 105 Ca -0.02 -0.37 -0.38 0.00 -0.01 0.00 0.00 64.34 63.56 2qkf n VAL 105 Cb 0.32 -1.45 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 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 5.00 0.24 -3.94 0.00 5.19 -1.72 -3.43 116.42 117.76 2qkf h ASP 107 Ca -0.49 -0.14 -0.46 0.00 -0.62 0.00 0.00 57.03 55.31 2qkf h ASP 107 Cb 1.21 -0.07 -0.30 0.00 0.18 0.00 0.00 39.33 40.35 2qkf h ASP 107 CO 0.64 0.80 -0.80 -0.69 -3.12 0.00 0.00 179.24 176.07 2qkf s VAL 108 N -3.72 0.97 -0.06 -1.35 1.01 -0.69 -4.13 120.40 112.42 2qkf s VAL 108 Ca -0.04 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2qkf s VAL 108 Cb 0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2qkf s VAL 108 CO 0.80 0.29 -0.11 0.27 0.00 0.00 0.00 175.10 176.34 2qkf s ILE 109 N 0.00 3.30 -0.08 2.22 -4.36 -0.73 -2.54 121.20 119.01 2qkf s ILE 109 Ca -0.01 -0.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.78 2qkf s ILE 109 Cb -0.08 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 2qkf s ILE 109 CO 0.00 0.59 -0.14 -1.58 0.24 0.00 0.00 174.94 174.06 2qkf s GLN 110 N -0.68 2.83 -0.41 0.37 0.74 0.93 -1.11 119.66 122.32 2qkf s GLN 110 Ca 0.10 -0.69 -0.17 0.00 0.05 0.00 0.00 55.36 54.66 2qkf s GLN 110 Cb -0.11 -2.47 0.02 0.00 1.10 0.00 0.00 33.01 31.54 2qkf s GLN 110 CO 0.01 0.48 0.40 -1.17 -0.55 0.00 0.00 175.29 174.46 2qkf s LEU 111 N -0.34 4.87 0.41 3.68 2.96 0.00 -1.97 118.68 128.29 2qkf s LEU 111 Ca 0.03 -0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 53.00 2qkf s LEU 111 Cb -0.13 -2.34 -0.09 0.00 0.50 0.00 0.00 46.19 44.13 2qkf s LEU 111 CO 0.02 -0.53 1.41 -2.84 -1.32 0.00 0.00 176.35 173.10 2qkf s PRO 112 N 2.03 3.92 0.27 0.98 0.02 -1.26 -2.34 135.00 138.63 2qkf s PRO 112 Ca 0.11 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 2qkf s PRO 112 Cb -0.17 -2.81 0.47 0.00 0.02 0.00 0.00 34.50 32.01 2qkf s PRO 112 CO 0.13 -0.62 1.85 0.00 -0.33 0.00 0.00 177.00 178.03 2qkf h ALA 113 N 2.69 1.43 0.00 -1.55 0.00 -1.91 -0.04 119.26 119.87 2qkf h ALA 113 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qkf h ALA 113 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2qkf h ALA 113 CO 0.63 0.31 0.00 0.27 0.00 0.00 0.00 179.25 180.45 2qkf h PHE 114 N 1.05 0.00 -0.28 0.00 -5.15 -1.90 -2.45 116.94 108.21 2qkf h PHE 114 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 2qkf h PHE 114 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 2qkf h PHE 114 CO -0.01 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.58 2qkf n LEU 115 N -2.78 3.25 0.22 2.10 4.77 -0.07 -4.68 117.00 119.81 2qkf n LEU 115 Ca 0.01 -1.38 0.15 0.00 -0.03 0.00 0.00 56.01 54.76 2qkf n LEU 115 Cb 0.27 -0.18 0.75 0.00 -2.33 0.00 0.00 43.42 41.94 2qkf n LEU 115 CO 0.24 0.67 0.96 0.00 -1.33 0.00 0.00 177.39 177.93 2qkf h ALA 116 N 4.27 1.00 -0.34 -1.18 0.00 -0.94 -0.27 119.26 121.81 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 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qkf h ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2qkf n ARG 117 N -2.62 2.27 -2.37 0.00 1.74 -1.26 -4.90 116.66 109.52 2qkf n ARG 117 Ca -0.01 -2.01 -0.40 0.00 -0.77 0.00 0.00 57.85 54.66 2qkf n ARG 117 Cb 0.13 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2qkf n ARG 117 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qkf s GLN 118 N -1.13 3.04 0.39 5.56 -1.52 -0.11 -4.89 119.66 121.00 2qkf s GLN 118 Ca 0.29 0.13 0.07 0.00 -1.95 0.00 0.00 55.36 53.89 2qkf s GLN 118 Cb 0.16 -4.23 0.81 0.00 -0.22 0.00 0.00 33.01 29.52 2qkf s GLN 118 CO 0.22 -2.29 2.02 1.15 -0.25 0.00 0.00 175.29 176.14 2qkf h THR 119 N 6.35 1.07 -0.57 -0.19 2.02 -1.90 -2.03 112.91 117.67 2qkf h THR 119 Ca -0.27 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 2qkf h THR 119 Cb 1.09 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2qkf h THR 119 CO 1.25 0.12 -0.04 0.44 0.37 0.00 0.00 175.52 177.66 2qkf h ASP 120 N 0.65 1.01 0.02 4.18 3.32 -1.97 -0.51 116.42 123.12 2qkf h ASP 120 Ca 0.22 -0.32 -0.19 0.00 0.02 0.00 0.00 57.03 56.75 2qkf h ASP 120 Cb 0.07 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2qkf h ASP 120 CO -0.06 1.09 -0.70 0.25 -1.72 0.00 0.00 179.24 178.11 2qkf h LEU 121 N 0.91 0.72 -0.25 1.55 5.85 -1.80 -1.71 115.31 120.57 2qkf h LEU 121 Ca 0.16 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2qkf h LEU 121 Cb 0.59 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2qkf h LEU 121 CO 0.04 1.20 0.16 0.58 -0.34 0.00 0.00 178.44 180.08 2qkf h VAL 122 N 0.43 1.08 -0.25 1.05 2.07 -1.23 0.54 116.25 119.94 2qkf h VAL 122 Ca -0.03 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2qkf h VAL 122 Cb 1.29 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2qkf h VAL 122 CO 0.13 0.08 0.05 0.58 0.02 0.00 0.00 177.57 178.44 2qkf h VAL 123 N 0.33 1.22 -0.92 2.57 2.07 -1.07 0.97 116.25 121.41 2qkf h VAL 123 Ca 0.09 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2qkf h VAL 123 Cb -0.01 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2qkf h VAL 123 CO -0.02 0.23 0.58 0.00 0.02 0.00 0.00 177.57 178.38 2qkf h ALA 124 N 0.87 1.29 -0.15 1.67 0.00 -1.21 -0.98 119.26 120.75 2qkf h ALA 124 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2qkf h ALA 124 Cb 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qkf h ALA 124 CO 0.00 0.63 -0.09 0.52 0.00 0.00 0.00 179.25 180.32 2qkf h MET 125 N 1.26 0.33 -0.61 0.00 2.86 -0.71 -3.17 114.93 114.89 2qkf h MET 125 Ca 0.33 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.89 2qkf h MET 125 Cb -0.09 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 2qkf h MET 125 CO -0.07 0.66 0.29 0.00 1.06 0.00 0.00 176.91 178.86 2qkf h ALA 126 N 0.66 0.80 0.00 6.32 0.00 -0.44 -2.62 119.26 123.98 2qkf h ALA 126 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qkf h ALA 126 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qkf h ALA 126 CO 0.03 -0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.82 2qkf n LYS 127 N -4.89 0.15 0.28 0.00 5.02 -0.40 -1.72 118.16 116.60 2qkf n LYS 127 Ca 0.08 0.38 0.15 0.00 -2.02 0.00 0.00 58.31 56.90 2qkf n LYS 127 Cb 0.21 -1.78 0.85 0.00 -0.02 0.00 0.00 35.03 34.29 2qkf n LYS 127 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2qkf h THR 128 N 0.00 0.43 -0.05 -0.18 1.35 -1.44 -3.46 112.91 109.55 2qkf h THR 128 Ca 0.00 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 2qkf h THR 128 Cb 0.34 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2qkf h THR 128 CO 0.00 0.06 -0.02 0.61 -0.25 0.00 0.00 175.52 175.92 2qkf n GLY 129 N -0.85 0.27 3.87 5.82 0.00 -0.70 -5.01 105.19 108.59 2qkf n GLY 129 Ca -0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2qkf n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qkf s ASN 130 N -2.07 6.31 0.28 1.61 2.47 -1.26 -5.01 114.94 117.28 2qkf s ASN 130 Ca 0.00 1.40 -0.30 0.00 0.42 0.00 0.00 52.86 54.38 2qkf s ASN 130 Cb 0.00 -2.45 -0.11 0.00 -1.45 0.00 0.00 41.25 37.24 2qkf s ASN 130 CO 0.00 -0.78 1.55 -0.69 -3.72 0.00 0.00 177.10 173.46 2qkf s VAL 131 N -3.02 2.24 -0.07 -5.21 1.01 -1.26 -4.78 120.40 109.32 2qkf s VAL 131 Ca 0.55 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.78 2qkf s VAL 131 Cb -0.11 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 2qkf s VAL 131 CO 0.48 0.03 -0.22 -0.69 0.00 0.00 0.00 175.10 174.70 2qkf s VAL 132 N -0.03 1.86 -0.28 2.92 1.01 -0.39 -1.78 120.40 123.71 2qkf s VAL 132 Ca 0.62 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2qkf s VAL 132 Cb -0.46 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2qkf s VAL 132 CO 0.47 0.52 0.13 0.21 0.00 0.00 0.00 175.10 176.43 2qkf s ASN 133 N 0.07 5.54 -0.37 3.32 2.47 -0.27 -0.17 114.94 125.54 2qkf s ASN 133 Ca -0.09 -0.24 -0.13 0.00 0.42 0.00 0.00 52.86 52.83 2qkf s ASN 133 Cb -0.15 -2.01 0.01 0.00 -1.45 0.00 0.00 41.25 37.65 2qkf s ASN 133 CO 0.05 -0.09 0.24 -0.63 -3.72 0.00 0.00 177.10 172.95 2qkf s ILE 134 N 1.66 4.98 -0.07 -5.21 1.01 0.51 -0.82 121.20 123.26 2qkf s ILE 134 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 2qkf s ILE 134 Cb -0.16 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2qkf s ILE 134 CO 0.07 -0.17 1.15 -0.54 0.00 0.00 0.00 174.94 175.45 2qkf s LYS 135 N 1.64 4.37 -0.15 2.79 -0.14 -0.99 -0.89 119.74 126.37 2qkf s LYS 135 Ca 0.04 1.59 -0.29 0.00 -1.36 0.00 0.00 55.97 55.95 2qkf s LYS 135 Cb -0.18 -3.55 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 2qkf s LYS 135 CO 0.09 -0.41 1.28 0.21 -0.76 0.00 0.00 175.35 175.76 2qkf s LYS 136 N 2.17 4.24 0.48 1.68 2.20 -0.04 -4.18 119.74 126.28 2qkf s LYS 136 Ca 0.54 1.69 -0.23 0.00 -0.36 0.00 0.00 55.97 57.61 2qkf s LYS 136 Cb -0.23 -3.76 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 2qkf s LYS 136 CO 0.21 -0.70 1.28 -2.30 -0.36 0.00 0.00 175.35 173.47 2qkf n PRO 137 N 6.54 1.76 0.29 4.03 -0.02 -1.26 -4.42 135.00 141.92 2qkf n PRO 137 Ca 0.14 0.64 0.17 0.00 -2.02 0.00 0.00 63.50 62.42 2qkf n PRO 137 Cb 0.45 -2.44 0.86 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.71 0.00 -0.34 -0.52 3.07 -1.91 -2.17 115.11 114.94 2qkf h GLN 138 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2qkf h GLN 138 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2qkf h GLN 138 CO 0.58 0.05 0.00 1.97 0.09 0.00 0.00 178.83 181.52 2qkf n PHE 139 N -3.33 0.45 -4.66 0.06 1.16 -1.26 -1.19 117.46 108.68 2qkf n PHE 139 Ca -0.01 -0.22 -0.33 0.00 -1.87 0.00 0.00 57.45 55.01 2qkf n PHE 139 Cb 0.21 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.95 2qkf n PHE 139 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2qkf s LEU 140 N -1.41 2.98 0.54 5.98 0.20 -0.82 -5.04 118.68 121.11 2qkf s LEU 140 Ca 0.36 -0.16 -0.18 0.00 0.69 0.00 0.00 54.13 54.84 2qkf s LEU 140 Cb 0.20 -1.67 -0.06 0.00 -0.43 0.00 0.00 46.19 44.24 2qkf s LEU 140 CO 0.28 0.26 1.04 -0.94 -0.29 0.00 0.00 176.35 176.71 2qkf s SER 141 N -0.20 6.08 0.41 3.68 1.04 -1.26 -4.82 113.70 118.63 2qkf s SER 141 Ca 0.02 1.85 0.08 0.00 0.48 0.00 0.00 55.95 58.38 2qkf s SER 141 Cb -0.13 -2.54 0.89 0.00 0.10 0.00 0.00 66.02 64.33 2qkf s SER 141 CO 0.03 -0.96 2.04 1.55 0.98 0.00 0.00 173.24 176.88 2qkf h PRO 142 N 0.96 0.52 0.00 4.02 0.13 -1.96 -1.30 132.00 134.37 2qkf h PRO 142 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2qkf h PRO 142 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qkf h PRO 142 CO 0.58 0.35 0.00 -1.13 -0.23 0.00 0.00 178.00 177.57 2qkf n SER 143 N -4.47 0.20 -0.09 1.44 3.41 -1.26 -2.51 113.62 110.33 2qkf n SER 143 Ca 0.05 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 2qkf n SER 143 Cb 0.12 -0.60 0.21 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.73 0.28 0.23 4.33 6.02 -0.49 -4.17 117.38 121.85 2qkf n GLN 144 Ca 0.03 -0.18 0.07 0.00 -0.01 0.00 0.00 57.00 56.90 2qkf n GLN 144 Cb 0.16 -1.50 0.57 0.00 1.02 0.00 0.00 30.24 30.49 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 0.44 0.03 0.00 -1.09 2.86 -1.56 -2.54 114.93 113.07 2qkf h MET 145 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2qkf h MET 145 Cb 0.52 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2qkf h MET 145 CO 0.00 0.10 -0.07 1.57 1.06 0.00 0.00 176.91 179.57 2qkf h LYS 146 N 0.03 0.00 -0.17 1.72 -0.00 -1.79 -1.83 116.57 114.52 2qkf h LYS 146 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.51 2qkf h LYS 146 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.36 2qkf h LYS 146 CO 0.01 0.07 -0.51 -0.91 -0.00 0.00 0.00 179.45 178.11 2qkf h ASN 147 N 0.00 0.53 -0.14 7.07 2.35 -1.74 0.11 115.58 123.75 2qkf h ASN 147 Ca -0.00 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 2qkf h ASN 147 Cb 0.16 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qkf h ASN 147 CO 0.01 0.95 -0.13 0.40 -1.65 0.00 0.00 177.43 177.01 2qkf h ILE 148 N 0.38 1.34 -0.63 2.81 2.04 -1.50 -2.97 117.51 118.98 2qkf h ILE 148 Ca 0.01 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.66 2qkf h ILE 148 Cb 1.03 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 2qkf h ILE 148 CO 0.09 0.37 0.35 0.58 0.00 0.00 0.00 178.15 179.54 2qkf h VAL 149 N -0.03 0.99 -0.72 1.67 2.07 -1.25 -2.25 116.25 116.72 2qkf h VAL 149 Ca 0.03 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.41 2qkf h VAL 149 Cb 0.64 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 2qkf h VAL 149 CO 0.03 0.12 0.37 -0.33 0.02 0.00 0.00 177.57 177.78 2qkf h GLU 150 N 0.66 0.61 -0.49 1.57 3.07 -0.80 0.24 114.58 119.44 2qkf h GLU 150 Ca 0.27 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.03 2qkf h GLU 150 Cb 0.14 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2qkf h GLU 150 CO -0.16 0.40 0.05 0.87 -1.40 0.00 0.00 179.01 178.77 2qkf h LYS 151 N 0.63 0.83 -0.44 2.33 1.57 -1.26 0.07 116.57 120.30 2qkf h LYS 151 Ca 0.35 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2qkf h LYS 151 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2qkf h LYS 151 CO -0.26 0.84 0.26 0.74 -0.57 0.00 0.00 179.45 180.46 2qkf h PHE 152 N 0.69 0.49 -0.58 -1.35 -1.00 -1.04 -2.42 116.94 111.73 2qkf h PHE 152 Ca 0.14 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.94 2qkf h PHE 152 Cb 0.44 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 2qkf h PHE 152 CO 0.03 0.29 0.38 0.45 -1.61 0.00 0.00 178.31 177.85 2qkf h HIS 153 N 0.53 0.74 -0.95 -0.55 3.86 -0.60 -1.68 115.15 116.50 2qkf h HIS 153 Ca 0.17 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 2qkf h HIS 153 Cb -0.00 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.16 2qkf h HIS 153 CO -0.07 0.48 0.62 0.93 0.86 0.00 0.00 177.93 180.75 2qkf h GLU 154 N 0.79 1.12 -0.08 2.45 5.08 -0.88 -1.05 114.58 122.01 2qkf h GLU 154 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2qkf h GLU 154 Cb -0.08 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.92 2qkf h GLU 154 CO -0.04 0.74 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 2qkf n ALA 155 N -2.38 2.55 -0.34 3.43 0.00 -0.88 -4.93 120.51 117.96 2qkf n ALA 155 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qkf n ALA 155 Cb 0.14 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.86 0.81 3.06 0.00 0.00 -0.40 -4.38 105.19 105.15 2qkf n GLY 156 Ca 0.12 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.14 2.98 0.00 1.61 3.84 -0.71 -4.98 114.94 115.55 2qkf s ASN 157 Ca 0.00 -0.61 0.10 0.00 0.21 0.00 0.00 52.86 52.56 2qkf s ASN 157 Cb 0.00 -1.33 0.09 0.00 -0.55 0.00 0.00 41.25 39.46 2qkf s ASN 157 CO 0.00 -0.04 0.84 0.61 -2.79 0.00 0.00 177.10 175.72 2qkf n GLY 158 N 4.69 -0.34 2.89 1.21 0.00 -1.26 -3.35 105.19 109.03 2qkf n GLY 158 Ca -0.18 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 0.58 3.28 -5.25 1.61 5.02 -1.26 -4.93 118.16 117.20 2qkf n LYS 159 Ca 0.06 -3.16 -0.31 0.00 -2.02 0.00 0.00 58.31 52.87 2qkf n LYS 159 Cb 0.26 -3.11 -0.16 0.00 -0.02 0.00 0.00 35.03 32.01 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 1.15 2.14 -0.03 -0.35 1.43 -1.26 -1.26 118.68 120.50 2qkf s LEU 160 Ca 0.44 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2qkf s LEU 160 Cb 0.10 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 2qkf s LEU 160 CO -0.03 0.31 -0.22 -0.63 0.23 0.00 0.00 176.35 176.01 2qkf s ILE 161 N -0.57 2.37 -0.16 -0.59 1.01 0.76 -4.19 121.20 119.83 2qkf s ILE 161 Ca 0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2qkf s ILE 161 Cb -0.11 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2qkf s ILE 161 CO -0.00 0.57 -0.06 -0.76 0.00 0.00 0.00 174.94 174.69 2qkf s LEU 162 N -0.67 3.06 -0.20 2.97 1.43 -0.34 -0.36 118.68 124.56 2qkf s LEU 162 Ca 0.11 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2qkf s LEU 162 Cb -0.10 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.42 2qkf s LEU 162 CO -0.00 0.14 -0.15 0.00 0.23 0.00 0.00 176.35 176.57 2qkf s GLU 164 N 1.31 4.58 -0.03 0.00 2.56 -0.32 -0.86 118.70 125.94 2qkf s GLU 164 Ca 0.00 1.63 0.08 0.00 0.00 0.00 0.00 54.97 56.68 2qkf s GLU 164 Cb -0.15 -3.34 0.13 0.00 2.00 0.00 0.00 34.13 32.77 2qkf s GLU 164 CO -0.10 0.02 1.06 2.89 -0.56 0.00 0.00 175.26 178.58 2qkf n ARG 165 N 2.99 0.25 0.00 4.30 -4.01 -1.26 -0.75 116.66 118.18 2qkf n ARG 165 Ca 0.04 -1.50 0.00 0.00 -1.04 0.00 0.00 57.85 55.35 2qkf n ARG 165 Cb 0.48 -0.61 0.00 0.00 -3.04 0.00 0.00 32.46 29.29 2qkf n ARG 165 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2qkf n GLY 166 N -0.17 -0.01 3.27 2.89 0.00 -1.26 -3.60 105.19 106.31 2qkf n GLY 166 Ca 0.04 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.00 2.58 0.25 1.61 0.01 -0.02 -4.05 113.70 112.07 2qkf s SER 167 Ca 0.00 -0.56 -0.31 0.00 1.31 0.00 0.00 55.95 56.39 2qkf s SER 167 Cb 0.00 -0.20 -0.12 0.00 0.21 0.00 0.00 66.02 65.91 2qkf s SER 167 CO 0.00 0.15 1.65 -0.44 0.41 0.00 0.00 173.24 175.01 2qkf s SER 168 N -1.34 6.39 -0.35 2.44 0.01 -0.33 -1.35 113.70 119.17 2qkf s SER 168 Ca 0.08 2.90 -0.01 0.00 1.31 0.00 0.00 55.95 60.23 2qkf s SER 168 Cb -0.09 -2.62 0.12 0.00 0.21 0.00 0.00 66.02 63.65 2qkf s SER 168 CO 0.02 -0.94 0.18 0.12 0.41 0.00 0.00 173.24 173.04 2qkf s PHE 169 N 0.59 0.98 0.00 2.43 5.36 -0.40 -4.82 117.98 122.12 2qkf s PHE 169 Ca 0.69 -1.61 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 2qkf s PHE 169 Cb -0.48 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 2qkf s PHE 169 CO 0.40 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 2qkf n GLY 170 N 4.33 0.68 3.82 13.12 0.00 -1.26 -4.32 105.19 121.56 2qkf n GLY 170 Ca 0.06 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 3.65 -1.48 1.61 2.02 -1.26 -4.51 117.35 117.37 2qkf s TYR 171 Ca 0.00 0.84 -0.13 0.00 -0.37 0.00 0.00 57.07 57.42 2qkf s TYR 171 Cb 0.00 -2.25 0.09 0.00 -0.40 0.00 0.00 41.96 39.40 2qkf s TYR 171 CO 0.00 0.56 0.75 -0.25 -1.57 0.00 0.00 175.55 175.05 2qkf n ASP 172 N 2.26 -4.25 -3.75 2.29 8.00 -1.26 -4.92 116.55 114.91 2qkf n ASP 172 Ca -0.14 -0.66 -0.12 0.00 0.71 0.00 0.00 54.79 54.58 2qkf n ASP 172 Cb 0.53 -3.45 -0.08 0.00 -0.02 0.00 0.00 41.12 38.10 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 -3.05 -0.15 0.07 -2.24 2.47 -1.26 -5.08 114.94 105.69 2qkf s ASN 173 Ca 0.57 -0.09 0.06 0.00 0.42 0.00 0.00 52.86 53.82 2qkf s ASN 173 Cb -0.29 0.35 -0.03 0.00 -1.45 0.00 0.00 41.25 39.82 2qkf s ASN 173 CO 0.70 -0.57 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.58 2qkf s LEU 174 N -1.83 2.23 0.03 3.21 1.43 -1.26 -1.27 118.68 121.22 2qkf s LEU 174 Ca -0.08 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 2qkf s LEU 174 Cb -0.02 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 2qkf s LEU 174 CO -0.01 0.04 -0.15 0.54 0.23 0.00 0.00 176.35 177.00 2qkf s VAL 175 N -1.02 1.23 -0.37 -1.59 0.11 -0.45 -4.88 120.40 113.42 2qkf s VAL 175 Ca 0.04 -0.98 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 2qkf s VAL 175 Cb -0.09 -1.09 -0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2qkf s VAL 175 CO 0.02 0.09 0.28 -0.69 -3.33 0.00 0.00 175.10 171.47 2qkf s VAL 176 N -0.77 5.26 -0.63 2.04 1.01 -1.26 -0.84 120.40 125.21 2qkf s VAL 176 Ca 0.03 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 2qkf s VAL 176 Cb -0.08 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2qkf s VAL 176 CO 0.01 -0.13 1.21 -0.62 0.00 0.00 0.00 175.10 175.57 2qkf s ASP 177 N 1.71 6.35 0.64 3.32 -1.08 -1.26 -4.88 116.67 121.47 2qkf s ASP 177 Ca 0.06 -0.10 0.42 0.00 -0.52 0.00 0.00 52.55 52.41 2qkf s ASP 177 Cb -0.18 -2.55 2.19 0.00 -1.46 0.00 0.00 42.92 40.92 2qkf s ASP 177 CO 0.11 -1.59 2.29 0.24 0.52 0.00 0.00 175.17 176.74 2qkf h MET 178 N 9.69 0.00 0.00 4.34 2.86 -1.98 -0.01 114.93 129.83 2qkf h MET 178 Ca -0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2qkf h MET 178 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 2qkf h MET 178 CO 1.21 0.00 -0.16 -0.07 1.06 0.00 0.00 176.91 178.96 2qkf h LEU 179 N 0.00 0.00 -1.58 1.22 3.38 -2.02 -3.29 115.31 113.02 2qkf h LEU 179 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qkf h LEU 179 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2qkf h LEU 179 CO 0.00 0.16 -0.19 1.23 0.09 0.00 0.00 178.44 179.73 2qkf h GLY 180 N 2.77 0.04 0.69 0.83 0.00 -1.40 -2.51 103.07 103.48 2qkf h GLY 180 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qkf h GLY 180 CO 0.02 0.02 -0.18 0.74 0.00 0.00 0.00 176.54 177.14 2qkf h PHE 181 N 0.03 -0.47 -0.65 5.60 -1.00 -1.72 -1.07 116.94 117.67 2qkf h PHE 181 Ca 0.01 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2qkf h PHE 181 Cb 0.35 0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 2qkf h PHE 181 CO 0.00 -0.27 0.24 0.78 -1.61 0.00 0.00 178.31 177.46 2qkf h GLY 182 N -0.35 1.02 1.00 -1.45 0.00 -1.74 -0.51 103.07 101.05 2qkf h GLY 182 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2qkf h GLY 182 CO -0.10 0.51 0.45 -2.08 0.00 0.00 0.00 176.54 175.32 2qkf h VAL 183 N 0.93 1.17 -0.42 4.60 2.07 -1.15 -0.78 116.25 122.68 2qkf h VAL 183 Ca 0.22 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 2qkf h VAL 183 Cb 0.20 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2qkf h VAL 183 CO -0.02 0.17 -0.14 0.24 0.02 0.00 0.00 177.57 177.84 2qkf h MET 184 N 0.93 0.83 -0.43 1.57 2.86 -0.60 -1.15 114.93 118.94 2qkf h MET 184 Ca 0.25 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2qkf h MET 184 Cb -0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2qkf h MET 184 CO -0.06 0.97 0.28 0.87 1.06 0.00 0.00 176.91 180.03 2qkf h LYS 185 N 0.65 0.55 -0.04 1.72 1.57 -0.84 -1.16 116.57 119.02 2qkf h LYS 185 Ca 0.10 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 2qkf h LYS 185 Cb 0.69 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2qkf h LYS 185 CO 0.05 0.36 -0.72 1.96 -0.57 0.00 0.00 179.45 180.54 2qkf h GLN 186 N 0.57 0.24 0.00 3.15 1.08 -1.00 0.15 115.11 119.30 2qkf h GLN 186 Ca 0.16 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2qkf h GLN 186 Cb -0.04 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2qkf h GLN 186 CO -0.05 0.86 -1.08 0.25 -0.95 0.00 0.00 178.83 177.86 2qkf n THR 187 N -3.79 0.15 -1.43 -0.54 -2.24 -0.45 -4.34 114.28 101.64 2qkf n THR 187 Ca -0.03 -0.24 0.06 0.00 -2.27 0.00 0.00 64.05 61.57 2qkf n THR 187 Cb 0.70 0.26 0.19 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.19 -0.34 3.55 0.00 0.00 -1.21 -3.24 105.19 102.77 2qkf n GLY 189 Ca 0.19 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.53 -5.50 -4.71 1.61 5.15 0.52 -4.14 115.26 106.65 2qkf n ASN 190 Ca -0.16 -0.55 -0.35 0.00 -0.60 0.00 0.00 54.58 52.93 2qkf n ASN 190 Cb 0.63 -4.39 0.10 0.00 -0.53 0.00 0.00 39.78 35.59 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 -7.07 3.30 0.21 1.20 1.43 -1.20 -0.79 118.68 115.76 2qkf s LEU 191 Ca 0.53 2.44 -0.32 0.00 -1.03 0.00 0.00 54.13 55.75 2qkf s LEU 191 Cb -0.25 -4.60 -0.14 0.00 0.03 0.00 0.00 46.19 41.23 2qkf s LEU 191 CO 0.66 -2.40 1.47 -2.65 0.23 0.00 0.00 176.35 173.65 2qkf n PRO 192 N -2.79 2.06 -5.00 1.29 -0.02 -1.25 -4.83 135.00 124.46 2qkf n PRO 192 Ca 0.14 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 62.03 2qkf n PRO 192 Cb 0.50 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.28 2.58 0.25 -1.45 1.01 -1.26 -1.20 120.40 120.62 2qkf s VAL 193 Ca 0.72 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.95 2qkf s VAL 193 Cb -0.66 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2qkf s VAL 193 CO 0.46 0.55 -0.14 0.27 0.00 0.00 0.00 175.10 176.24 2qkf s ILE 194 N 0.19 1.94 -0.21 2.22 -4.36 0.07 -0.47 121.20 120.58 2qkf s ILE 194 Ca -0.11 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.05 2qkf s ILE 194 Cb -0.16 -2.24 0.05 0.00 1.25 0.00 0.00 42.46 41.36 2qkf s ILE 194 CO 0.06 -0.45 -0.09 0.12 0.24 0.00 0.00 174.94 174.82 2qkf s PHE 195 N -2.84 2.45 -0.86 1.37 5.36 -0.84 -1.17 117.98 121.45 2qkf s PHE 195 Ca 0.27 -1.67 -0.21 0.00 -0.96 0.00 0.00 56.93 54.35 2qkf s PHE 195 Cb -0.01 -1.64 0.09 0.00 -0.34 0.00 0.00 43.02 41.13 2qkf s PHE 195 CO 0.11 -0.76 1.15 0.34 -1.46 0.00 0.00 175.22 174.60 2qkf s ASP 196 N 1.38 6.45 0.17 6.13 -1.08 0.07 -0.34 116.67 129.45 2qkf s ASP 196 Ca -0.03 -1.55 -0.06 0.00 -0.52 0.00 0.00 52.55 50.40 2qkf s ASP 196 Cb -0.17 -2.45 0.04 0.00 -1.46 0.00 0.00 42.92 38.88 2qkf s ASP 196 CO -0.07 -1.30 1.47 -0.37 0.52 0.00 0.00 175.17 175.41 2qkf h VAL 197 N 6.07 1.31 0.12 1.11 -1.51 -1.66 -2.70 116.25 118.99 2qkf h VAL 197 Ca 0.02 -1.79 0.02 0.00 -1.23 0.00 0.00 66.70 63.71 2qkf h VAL 197 Cb 1.04 1.75 -0.04 0.00 -2.13 0.00 0.00 31.29 31.90 2qkf h VAL 197 CO 1.20 0.57 -0.33 0.74 -1.23 0.00 0.00 177.57 178.52 2qkf h THR 198 N 0.50 0.31 0.00 7.19 2.02 -1.89 -2.60 112.91 118.43 2qkf h THR 198 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2qkf h THR 198 Cb 1.13 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2qkf h THR 198 CO 0.11 0.00 -0.06 1.41 0.37 0.00 0.00 175.52 177.35 2qkf n HIS 199 N -5.42 0.80 0.26 3.16 8.25 -1.24 -2.59 115.22 118.44 2qkf n HIS 199 Ca -0.07 0.23 0.15 0.00 -0.26 0.00 0.00 57.72 57.78 2qkf n HIS 199 Cb 0.33 -0.87 0.55 0.00 1.12 0.00 0.00 29.99 31.12 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 0.00 0.41 0.02 -1.13 -3.41 113.55 109.45 2qkf h SER 200 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qkf h SER 200 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2qkf h SER 200 CO 0.00 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 2qkf n LEU 201 N -3.15 0.00 0.00 5.07 4.77 -1.01 -4.78 117.00 117.90 2qkf n LEU 201 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qkf n LEU 201 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2qkf n LEU 201 CO 0.30 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 178.03 2qkf n GLN 202 N 0.00 0.00 0.00 3.23 7.27 -1.26 -4.60 117.38 122.02 2qkf n GLN 202 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2qkf n GLN 202 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2qkf n GLN 202 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2qkf n ARG 215 N -0.65 0.00 0.20 3.69 1.74 -1.26 -4.91 116.66 115.47 2qkf n ARG 215 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2qkf n ARG 215 Cb 0.00 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 31.85 2qkf n ARG 215 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qkf h ALA 216 N 0.00 1.22 -0.24 7.54 0.00 -2.05 -2.81 119.26 122.92 2qkf h ALA 216 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2qkf h ALA 216 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qkf h ALA 216 CO 0.00 0.42 0.10 1.96 0.00 0.00 0.00 179.25 181.73 2qkf h GLN 217 N 0.00 0.35 -0.55 0.00 4.20 -2.05 -1.58 115.11 115.48 2qkf h GLN 217 Ca -0.00 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.71 2qkf h GLN 217 Cb 0.70 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 2qkf h GLN 217 CO 0.04 0.39 0.25 0.00 -0.67 0.00 0.00 178.83 178.84 2qkf h ALA 218 N 0.94 0.71 -0.13 3.87 0.00 -1.93 -1.11 119.26 121.61 2qkf h ALA 218 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qkf h ALA 218 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qkf h ALA 218 CO -0.01 -0.12 0.02 1.25 0.00 0.00 0.00 179.25 180.39 2qkf h LEU 219 N 0.47 0.21 -0.39 0.00 5.85 -1.40 -0.40 115.31 119.66 2qkf h LEU 219 Ca 0.26 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2qkf h LEU 219 Cb 0.22 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2qkf h LEU 219 CO -0.21 0.43 0.11 0.44 -0.34 0.00 0.00 178.44 178.87 2qkf h ASP 220 N -0.02 0.08 -0.24 1.25 3.32 -1.08 -1.08 116.42 118.66 2qkf h ASP 220 Ca 0.04 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2qkf h ASP 220 Cb 0.31 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2qkf h ASP 220 CO 0.00 0.08 0.03 0.25 -1.72 0.00 0.00 179.24 177.89 2qkf h LEU 221 N 0.25 0.38 -0.33 1.55 5.85 -1.12 -1.31 115.31 120.58 2qkf h LEU 221 Ca 0.18 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2qkf h LEU 221 Cb 0.19 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2qkf h LEU 221 CO -0.21 0.56 0.12 0.00 -0.34 0.00 0.00 178.44 178.56 2qkf h ALA 222 N 0.84 0.38 -0.31 1.25 0.00 -0.92 -0.85 119.26 119.66 2qkf h ALA 222 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qkf h ALA 222 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qkf h ALA 222 CO 0.01 -0.28 0.15 -0.07 0.00 0.00 0.00 179.25 179.06 2qkf h LEU 223 N 0.26 0.40 -0.27 0.00 3.38 -1.12 -0.01 115.31 117.94 2qkf h LEU 223 Ca 0.15 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2qkf h LEU 223 Cb 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2qkf h LEU 223 CO -0.15 0.40 0.01 0.00 0.09 0.00 0.00 178.44 178.80 2qkf h ALA 224 N 1.01 0.25 -0.06 1.53 0.00 -0.96 -0.90 119.26 120.14 2qkf h ALA 224 Ca 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qkf h ALA 224 Cb 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qkf h ALA 224 CO -0.01 -0.40 0.03 0.78 0.00 0.00 0.00 179.25 179.64 2qkf h GLY 225 N 0.10 0.08 2.00 0.00 0.00 -0.88 -2.85 103.07 101.53 2qkf h GLY 225 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2qkf h GLY 225 CO -0.21 0.04 -0.05 -0.33 0.00 0.00 0.00 176.54 175.99 2qkf h MET 226 N -0.01 0.00 0.00 4.80 2.86 -0.71 -1.58 114.93 120.29 2qkf h MET 226 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qkf h MET 226 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2qkf h MET 226 CO -0.00 0.05 0.00 0.00 1.06 0.00 0.00 176.91 178.01 2qkf h ALA 227 N 1.95 1.00 -0.07 6.32 0.00 -0.92 -2.03 119.26 125.52 2qkf h ALA 227 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkf h ALA 227 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qkf h ALA 227 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 2qkf n THR 228 N -2.72 0.07 -1.73 0.00 -2.24 -0.59 -4.98 114.28 102.09 2qkf n THR 228 Ca -0.00 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2qkf n THR 228 Cb 0.17 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.10 -0.52 -4.39 -0.78 0.63 -0.76 -4.93 116.66 106.01 2qkf n ARG 229 Ca 0.18 0.85 -0.26 0.00 -0.92 0.00 0.00 57.85 57.70 2qkf n ARG 229 Cb 0.32 -2.02 -0.12 0.00 0.45 0.00 0.00 32.46 31.09 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 -0.80 2.40 0.40 6.15 1.43 -1.26 -4.89 118.68 122.11 2qkf s LEU 230 Ca 0.02 -0.83 0.19 0.00 -1.03 0.00 0.00 54.13 52.48 2qkf s LEU 230 Cb -0.01 -1.09 0.82 0.00 0.03 0.00 0.00 46.19 45.95 2qkf s LEU 230 CO 0.14 0.10 1.82 0.00 0.23 0.00 0.00 176.35 178.63 2qkf h ALA 231 N 3.41 1.15 -1.84 4.21 0.00 -0.92 -3.42 119.26 121.84 2qkf h ALA 231 Ca -0.46 -0.31 0.30 0.00 0.00 0.00 0.00 54.91 54.44 2qkf h ALA 231 Cb 1.20 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2qkf h ALA 231 CO 0.46 0.42 0.80 0.20 0.00 0.00 0.00 179.25 181.13 2qkf s GLY 232 N -4.32 -0.26 -0.03 0.00 0.00 -1.21 -1.24 107.32 100.26 2qkf s GLY 232 Ca -0.01 0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.08 2qkf s GLY 232 CO 0.68 2.03 -0.12 -2.27 0.00 0.00 0.00 173.10 173.42 2qkf s LEU 233 N -3.28 1.83 -0.15 0.66 2.96 -0.49 -1.99 118.68 118.23 2qkf s LEU 233 Ca 0.19 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2qkf s LEU 233 Cb 0.02 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 46.02 2qkf s LEU 233 CO -0.01 0.10 -0.19 0.12 -1.32 0.00 0.00 176.35 175.04 2qkf s PHE 234 N 0.13 2.73 0.07 5.38 5.36 0.54 -0.69 117.98 131.51 2qkf s PHE 234 Ca -0.03 -1.28 -0.16 0.00 -0.96 0.00 0.00 56.93 54.50 2qkf s PHE 234 Cb -0.10 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.75 2qkf s PHE 234 CO 0.01 -0.60 0.36 -0.48 -1.46 0.00 0.00 175.22 173.05 2qkf s LEU 235 N 0.91 0.63 0.11 6.12 0.05 0.16 -1.97 118.68 124.68 2qkf s LEU 235 Ca -0.04 -0.19 0.08 0.00 0.05 0.00 0.00 54.13 54.03 2qkf s LEU 235 Cb -0.15 1.59 -0.04 0.00 -2.05 0.00 0.00 46.19 45.54 2qkf s LEU 235 CO -0.03 -0.70 -0.15 -1.61 -0.55 0.00 0.00 176.35 173.31 2qkf s GLU 236 N -2.93 1.91 0.30 1.48 2.02 -1.26 -2.02 118.70 118.20 2qkf s GLU 236 Ca -0.02 -1.13 0.08 0.00 0.02 0.00 0.00 54.97 53.91 2qkf s GLU 236 Cb 0.00 -2.18 -0.06 0.00 0.10 0.00 0.00 34.13 31.99 2qkf s GLU 236 CO -0.06 0.49 -0.07 -1.54 0.02 0.00 0.00 175.26 174.10 2qkf s SER 237 N -2.19 3.03 -0.11 -0.19 1.04 -0.32 -1.05 113.70 113.91 2qkf s SER 237 Ca 0.19 -1.19 0.02 0.00 0.48 0.00 0.00 55.95 55.46 2qkf s SER 237 Cb -0.11 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 2qkf s SER 237 CO 0.12 -0.29 -0.18 -1.38 0.98 0.00 0.00 173.24 172.48 2qkf s HIS 238 N -2.89 2.69 0.66 5.02 -3.43 -0.06 -4.64 115.29 112.62 2qkf s HIS 238 Ca 0.30 -0.76 0.23 0.00 -0.80 0.00 0.00 55.06 54.03 2qkf s HIS 238 Cb 0.03 -1.77 1.25 0.00 -1.43 0.00 0.00 32.58 30.67 2qkf s HIS 238 CO 0.13 -0.26 1.71 -1.00 -2.00 0.00 0.00 174.74 173.32 2qkf h PRO 239 N 6.57 0.00 0.00 -0.38 0.13 -1.98 -2.19 132.00 134.16 2qkf h PRO 239 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2qkf h PRO 239 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2qkf h PRO 239 CO 0.52 0.00 -0.48 -3.47 -0.23 0.00 0.00 178.00 174.33 2qkf n ASP 240 N -2.90 2.41 -4.46 1.44 -0.08 -1.26 -4.76 116.55 106.94 2qkf n ASP 240 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.15 2qkf n ASP 240 Cb 0.57 0.25 -0.11 0.00 2.34 0.00 0.00 41.12 44.17 2qkf n ASP 240 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2qkf n SER 250 N -1.20 0.19 -3.64 1.67 2.88 -1.26 -4.84 113.62 107.43 2qkf n SER 250 Ca 0.00 -1.43 -0.10 0.00 -1.33 0.00 0.00 58.87 56.01 2qkf n SER 250 Cb 0.23 -1.20 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 2qkf n SER 250 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qkf s ALA 251 N 8.97 -1.94 0.41 -1.46 0.00 -1.26 -4.91 121.76 121.56 2qkf s ALA 251 Ca 0.87 2.00 -0.25 0.00 0.00 0.00 0.00 51.96 54.57 2qkf s ALA 251 Cb -0.29 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 2qkf s ALA 251 CO 0.23 -0.29 1.21 -1.17 0.00 0.00 0.00 175.76 175.74 2qkf s LEU 252 N 0.49 4.19 0.10 0.00 2.96 -0.22 -4.52 118.68 121.69 2qkf s LEU 252 Ca 0.00 2.44 -0.31 0.00 -0.22 0.00 0.00 54.13 56.04 2qkf s LEU 252 Cb -0.05 -4.00 -0.08 0.00 0.50 0.00 0.00 46.19 42.56 2qkf s LEU 252 CO -0.06 -0.75 1.52 -2.84 -1.32 0.00 0.00 176.35 172.89 2qkf s PRO 253 N -2.30 4.25 0.37 0.98 0.02 -1.26 -0.88 135.00 136.17 2qkf s PRO 253 Ca 0.57 2.22 0.07 0.00 0.02 0.00 0.00 61.00 63.88 2qkf s PRO 253 Cb -0.33 -3.36 0.78 0.00 0.02 0.00 0.00 34.50 31.62 2qkf s PRO 253 CO 0.42 -0.59 1.97 1.25 -0.33 0.00 0.00 177.00 179.72 2qkf h LEU 254 N 7.49 0.61 -1.02 -5.54 5.85 -1.69 -1.84 115.31 119.17 2qkf h LEU 254 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2qkf h LEU 254 Cb 1.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2qkf h LEU 254 CO 0.90 0.40 0.00 1.12 -0.34 0.00 0.00 178.44 180.52 2qkf h HIS 255 N 0.70 0.00 -0.19 1.25 2.07 -1.89 -2.61 115.15 114.47 2qkf h HIS 255 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 2qkf h HIS 255 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 2qkf h HIS 255 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2qkf n LEU 256 N -2.86 1.86 -0.18 6.12 4.77 -0.69 -4.40 117.00 121.62 2qkf n LEU 256 Ca 0.02 -0.78 -0.01 0.00 -0.03 0.00 0.00 56.01 55.21 2qkf n LEU 256 Cb 0.32 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 2qkf n LEU 256 CO 0.27 0.39 0.90 0.25 -1.33 0.00 0.00 177.39 177.87 2qkf h LEU 257 N 2.45 -0.02 -0.18 2.23 5.85 -1.53 -2.20 115.31 121.90 2qkf h LEU 257 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qkf h LEU 257 Cb 0.54 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2qkf h LEU 257 CO 0.00 0.01 0.07 -0.08 -0.34 0.00 0.00 178.44 178.10 2qkf h GLU 258 N 0.23 0.28 -0.51 1.25 4.81 -1.83 -0.93 114.58 117.89 2qkf h GLU 258 Ca 0.28 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2qkf h GLU 258 Cb 0.40 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2qkf h GLU 258 CO -0.37 0.36 0.29 0.22 -0.73 0.00 0.00 179.01 178.78 2qkf h ASP 259 N 0.14 0.62 0.00 1.04 1.82 -1.83 -1.40 116.42 116.82 2qkf h ASP 259 Ca 0.06 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.65 2qkf h ASP 259 Cb 0.19 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.00 2qkf h ASP 259 CO -0.00 0.52 -0.20 0.15 -1.61 0.00 0.00 179.24 178.09 2qkf h PHE 260 N 0.68 -0.53 -0.13 0.28 3.57 -1.19 -2.85 116.94 116.75 2qkf h PHE 260 Ca 0.18 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2qkf h PHE 260 Cb 0.02 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2qkf h PHE 260 CO -0.02 -0.29 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.36 2qkf h LEU 261 N -0.33 0.27 -0.55 0.59 3.38 -0.98 -2.02 115.31 115.67 2qkf h LEU 261 Ca 0.06 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2qkf h LEU 261 Cb 0.40 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2qkf h LEU 261 CO -0.19 0.60 0.27 0.40 0.09 0.00 0.00 178.44 179.61 2qkf h ILE 262 N 0.23 0.93 -0.45 1.22 2.04 -1.19 0.28 117.51 120.57 2qkf h ILE 262 Ca 0.03 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 2qkf h ILE 262 Cb 0.72 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2qkf h ILE 262 CO 0.05 0.09 -0.22 0.03 0.00 0.00 0.00 178.15 178.10 2qkf h ARG 263 N 0.51 0.95 -0.03 2.37 3.08 -1.19 -1.87 114.38 118.20 2qkf h ARG 263 Ca 0.25 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 2qkf h ARG 263 Cb 0.18 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2qkf h ARG 263 CO -0.19 1.08 0.01 0.82 -1.07 0.00 0.00 179.97 180.63 2qkf h ILE 264 N 0.79 1.17 -0.87 2.04 1.08 -1.17 -2.73 117.51 117.82 2qkf h ILE 264 Ca 0.10 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 2qkf h ILE 264 Cb 0.80 1.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.94 2qkf h ILE 264 CO 0.07 0.14 0.55 0.50 -0.69 0.00 0.00 178.15 178.72 2qkf h LYS 265 N -0.15 0.99 0.02 2.37 3.64 -0.44 1.00 116.57 124.00 2qkf h LYS 265 Ca 0.01 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2qkf h LYS 265 Cb 0.21 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2qkf h LYS 265 CO -0.00 0.65 -0.25 0.00 -2.27 0.00 0.00 179.45 177.59 2qkf h ALA 266 N 1.40 -0.34 -0.26 5.00 0.00 -1.24 0.11 119.26 123.93 2qkf h ALA 266 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2qkf h ALA 266 Cb 0.14 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qkf h ALA 266 CO -0.16 -0.75 0.08 1.25 0.00 0.00 0.00 179.25 179.67 2qkf h LEU 267 N -0.39 0.37 -0.60 0.00 6.46 -1.16 -2.04 115.31 117.95 2qkf h LEU 267 Ca 0.06 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2qkf h LEU 267 Cb 0.47 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 2qkf h LEU 267 CO -0.21 0.48 0.37 -0.78 -0.62 0.00 0.00 178.44 177.68 2qkf h ASP 268 N 0.25 0.71 -0.75 1.25 3.58 -0.65 -0.61 116.42 120.20 2qkf h ASP 268 Ca 0.08 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2qkf h ASP 268 Cb 0.24 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2qkf h ASP 268 CO -0.00 0.56 0.30 0.44 -2.88 0.00 0.00 179.24 177.65 2qkf h ASP 269 N 0.81 1.04 0.54 2.28 3.32 -0.68 0.13 116.42 123.85 2qkf h ASP 269 Ca 0.22 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2qkf h ASP 269 Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 2qkf h ASP 269 CO -0.04 0.93 -0.27 0.25 -1.72 0.00 0.00 179.24 178.39 2qkf h LEU 270 N 1.08 -0.63 -0.18 1.55 5.85 -0.98 -2.44 115.31 119.56 2qkf h LEU 270 Ca 0.25 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2qkf h LEU 270 Cb 0.22 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2qkf h LEU 270 CO -0.02 -0.45 0.06 0.40 -0.34 0.00 0.00 178.44 178.09 2qkf h ILE 271 N -0.74 0.96 0.00 4.05 1.08 -0.87 -2.68 117.51 119.31 2qkf h ILE 271 Ca -0.07 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.30 2qkf h ILE 271 Cb 0.57 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2qkf h ILE 271 CO 0.12 0.03 -0.21 0.11 -0.69 0.00 0.00 178.15 177.50 2qkf h LYS 272 N 0.15 0.00 0.00 2.37 1.79 -0.81 -2.32 116.57 117.75 2qkf h LYS 272 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2qkf h LYS 272 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2qkf h LYS 272 CO -0.08 0.21 0.00 -1.13 -1.08 0.00 0.00 179.45 177.37 2qkf n SER 273 N -3.64 0.00 -4.63 0.86 3.41 -0.92 -4.78 113.62 103.93 2qkf n SER 273 Ca -0.01 -0.01 -0.34 0.00 -0.26 0.00 0.00 58.87 58.24 2qkf n SER 273 Cb 0.34 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 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 -2.64 3.06 0.59 4.33 -0.21 -0.87 -5.09 119.66 118.83 2qkf s GLN 274 Ca 0.24 -0.45 -0.18 0.00 0.02 0.00 0.00 55.36 54.99 2qkf s GLN 274 Cb 0.19 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2qkf s GLN 274 CO 0.44 0.61 1.14 -1.25 -2.12 0.00 0.00 175.29 174.11 2qkf s PRO 275 N -0.65 3.12 0.33 2.91 0.04 -1.26 -4.94 135.00 134.55 2qkf s PRO 275 Ca 0.10 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 2qkf s PRO 275 Cb -0.12 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 2qkf s PRO 275 CO 0.02 -1.03 1.55 -0.89 0.04 0.00 0.00 177.00 176.69 2qkf n ILE 276 N -1.68 1.42 0.82 0.56 5.41 -1.26 -5.14 119.36 119.49 2qkf n ILE 276 Ca 0.12 -0.36 0.10 0.00 1.00 0.00 0.00 62.75 63.61 2qkf n ILE 276 Cb 0.51 -1.95 0.08 0.00 -0.71 0.00 0.00 39.64 37.57 2qkf n ILE 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44