#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7q s ASP 3 N 0.00 6.23 -0.10 0.00 -0.00 -0.23 -2.10 116.67 120.47 1i7q s ASP 3 Ca 0.00 0.25 0.04 0.00 -0.00 0.00 0.00 52.55 52.84 1i7q s ASP 3 Cb 0.00 -2.17 0.00 0.00 -0.00 0.00 0.00 42.92 40.75 1i7q s ASP 3 CO 0.00 -0.06 -0.23 -0.63 -0.00 0.00 0.00 175.17 174.25 1i7q s ILE 4 N 1.52 2.01 -0.38 0.77 1.01 -0.26 -0.64 121.20 125.22 1i7q s ILE 4 Ca 0.13 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 1i7q s ILE 4 Cb -0.15 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.61 1i7q s ILE 4 CO 0.08 0.55 0.23 -0.22 0.00 0.00 0.00 174.94 175.58 1i7q s LEU 5 N 0.34 4.79 -0.27 2.97 1.98 -0.49 -1.64 118.68 126.36 1i7q s LEU 5 Ca -0.18 -0.91 -0.09 0.00 -2.89 0.00 0.00 54.13 50.05 1i7q s LEU 5 Cb -0.18 -2.07 -0.03 0.00 0.66 0.00 0.00 46.19 44.57 1i7q s LEU 5 CO 0.09 -0.39 0.12 -0.22 -1.89 0.00 0.00 176.35 174.06 1i7q s LEU 6 N 1.60 3.76 -0.34 -0.68 2.96 0.09 -0.72 118.68 125.35 1i7q s LEU 6 Ca 0.03 -0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 53.48 1i7q s LEU 6 Cb -0.19 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1i7q s LEU 6 CO 0.08 -0.08 0.80 -0.22 -1.32 0.00 0.00 176.35 175.61 1i7q s LEU 7 N 1.66 4.10 -0.56 -0.68 2.96 0.44 -2.38 118.68 124.21 1i7q s LEU 7 Ca 0.06 0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 54.25 1i7q s LEU 7 Cb -0.16 -3.07 0.05 0.00 0.50 0.00 0.00 46.19 43.52 1i7q s LEU 7 CO 0.06 -0.69 0.88 -0.62 -1.32 0.00 0.00 176.35 174.66 1i7q s ASP 8 N 1.75 6.29 -0.04 3.68 3.68 -0.49 -0.82 116.67 130.71 1i7q s ASP 8 Ca 0.32 -0.59 -0.01 0.00 2.13 0.00 0.00 52.55 54.41 1i7q s ASP 8 Cb -0.13 -2.40 -0.01 0.00 -1.45 0.00 0.00 42.92 38.92 1i7q s ASP 8 CO 0.15 -1.20 2.24 0.59 0.13 0.00 0.00 175.17 177.08 1i7q n ASN 9 N 7.24 5.48 -3.56 -0.34 3.02 -1.26 -1.72 115.26 124.12 1i7q n ASN 9 Ca -0.01 -2.50 -0.20 0.00 -0.03 0.00 0.00 54.58 51.83 1i7q n ASN 9 Cb 0.47 -1.16 0.05 0.00 -0.61 0.00 0.00 39.78 38.53 1i7q n ASN 9 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1i7q n VAL 10 N 1.50 -5.70 -4.11 2.41 0.31 -1.26 -4.31 118.33 107.16 1i7q n VAL 10 Ca 0.10 -0.66 -0.23 0.00 -0.01 0.00 0.00 64.34 63.54 1i7q n VAL 10 Cb 0.57 -4.57 -0.06 0.00 -0.91 0.00 0.00 33.84 28.87 1i7q n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i7q s ASP 11 N -4.15 4.78 0.00 4.52 2.15 -1.26 -4.66 116.67 118.04 1i7q s ASP 11 Ca 0.11 -0.68 0.24 0.00 0.43 0.00 0.00 52.55 52.64 1i7q s ASP 11 Cb -0.02 -0.83 0.40 0.00 -0.30 0.00 0.00 42.92 42.17 1i7q s ASP 11 CO 0.78 -0.22 1.38 -1.20 -0.17 0.00 0.00 175.17 175.74 1i7q n SER 12 N -1.12 3.02 -0.00 -0.34 7.64 -1.26 -4.24 113.62 117.32 1i7q n SER 12 Ca -0.04 -1.94 0.02 0.00 1.01 0.00 0.00 58.87 57.91 1i7q n SER 12 Cb 0.60 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1i7q n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1i7q n PHE 13 N 1.27 0.00 -0.34 1.43 0.99 -1.26 -4.81 117.46 114.73 1i7q n PHE 13 Ca 0.17 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.66 1i7q n PHE 13 Cb 0.57 0.00 0.12 0.00 -1.00 0.00 0.00 39.48 39.17 1i7q n PHE 13 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i7q h THR 14 N 0.00 0.04 0.00 4.37 2.02 -1.91 -0.65 112.91 116.78 1i7q h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i7q h THR 14 Cb 0.08 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1i7q h THR 14 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1i7q n TYR 15 N -5.59 0.06 0.11 3.16 4.01 -1.26 -1.77 117.16 115.88 1i7q n TYR 15 Ca 0.14 0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.87 1i7q n TYR 15 Cb 0.47 -0.53 0.16 0.00 -0.31 0.00 0.00 39.34 39.12 1i7q n TYR 15 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1i7q h ASN 16 N 0.00 0.15 -0.22 7.72 -0.26 -1.45 0.30 115.58 121.82 1i7q h ASN 16 Ca 0.00 -0.08 -0.17 0.00 -0.56 0.00 0.00 56.30 55.49 1i7q h ASN 16 Cb 0.39 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1i7q h ASN 16 CO 0.00 0.70 -0.52 -0.07 -1.06 0.00 0.00 177.43 176.49 1i7q h LEU 17 N 0.10 0.84 -0.39 1.61 3.38 -1.34 -3.13 115.31 116.37 1i7q h LEU 17 Ca -0.01 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 1i7q h LEU 17 Cb 1.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1i7q h LEU 17 CO 0.08 1.25 0.24 0.58 0.09 0.00 0.00 178.44 180.68 1i7q h VAL 18 N 0.47 1.12 -0.15 1.22 2.07 -1.18 -2.36 116.25 117.45 1i7q h VAL 18 Ca -0.00 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1i7q h VAL 18 Cb 1.13 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1i7q h VAL 18 CO 0.11 0.12 0.08 -0.78 0.02 0.00 0.00 177.57 177.12 1i7q h ASP 19 N 0.51 0.12 0.58 0.57 1.82 -1.00 -0.20 116.42 118.83 1i7q h ASP 19 Ca 0.14 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.70 1i7q h ASP 19 Cb -0.01 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1i7q h ASP 19 CO -0.03 0.09 -0.40 0.06 -1.61 0.00 0.00 179.24 177.35 1i7q h GLN 20 N 0.16 0.00 -0.10 0.28 3.07 -1.49 0.03 115.11 117.07 1i7q h GLN 20 Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.61 1i7q h GLN 20 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 1i7q h GLN 20 CO -0.03 0.40 -0.68 -0.07 0.09 0.00 0.00 178.83 178.54 1i7q h LEU 21 N 0.00 0.76 -0.20 0.06 3.38 -1.21 -3.01 115.31 115.09 1i7q h LEU 21 Ca -0.00 -0.66 -0.22 0.00 0.09 0.00 0.00 57.88 57.08 1i7q h LEU 21 Cb 0.80 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1i7q h LEU 21 CO 0.05 1.31 -0.80 0.03 0.09 0.00 0.00 178.44 179.12 1i7q h ARG 22 N 0.28 0.68 0.00 1.13 3.08 -0.94 -1.37 114.38 117.24 1i7q h ARG 22 Ca -0.06 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.40 1i7q h ARG 22 Cb 1.32 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 1i7q h ARG 22 CO 0.14 1.19 -0.05 0.00 -1.07 0.00 0.00 179.97 180.18 1i7q h ALA 23 N 0.64 1.49 -0.50 0.04 0.00 -1.05 -0.25 119.26 119.61 1i7q h ALA 23 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i7q h ALA 23 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1i7q h ALA 23 CO 0.16 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1i7q n SER 24 N -3.85 4.76 0.00 0.00 3.41 -1.14 -4.94 113.62 111.87 1i7q n SER 24 Ca -0.03 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1i7q n SER 24 Cb 0.14 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1i7q n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i7q n GLY 25 N 0.66 0.84 3.86 5.00 0.00 -0.11 -5.01 105.19 110.45 1i7q n GLY 25 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1i7q n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i7q s HIS 26 N -2.83 3.46 -0.08 1.61 3.76 -0.53 -4.69 115.29 115.98 1i7q s HIS 26 Ca 0.00 1.21 -0.13 0.00 -0.15 0.00 0.00 55.06 55.98 1i7q s HIS 26 Cb 0.00 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.07 1i7q s HIS 26 CO 0.00 -0.18 0.33 -0.65 -0.85 0.00 0.00 174.74 173.39 1i7q s GLN 27 N -3.85 3.96 -0.04 1.40 1.11 -0.89 -4.17 119.66 117.17 1i7q s GLN 27 Ca 0.54 0.22 0.02 0.00 0.01 0.00 0.00 55.36 56.14 1i7q s GLN 27 Cb -0.10 -3.29 0.02 0.00 -1.01 0.00 0.00 33.01 28.62 1i7q s GLN 27 CO 0.30 0.54 -0.07 0.08 0.01 0.00 0.00 175.29 176.15 1i7q s VAL 28 N -0.49 0.67 -0.10 1.09 1.01 -1.26 -1.10 120.40 120.23 1i7q s VAL 28 Ca 0.20 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1i7q s VAL 28 Cb -0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1i7q s VAL 28 CO 0.08 0.24 -0.22 -0.69 0.00 0.00 0.00 175.10 174.52 1i7q s VAL 29 N 0.66 2.29 -0.16 2.92 1.01 -0.65 -5.01 120.40 121.47 1i7q s VAL 29 Ca -0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1i7q s VAL 29 Cb -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1i7q s VAL 29 CO 0.01 0.56 -0.09 -0.63 0.00 0.00 0.00 175.10 174.95 1i7q s ILE 30 N 0.21 3.32 -0.02 2.22 1.09 -1.26 -0.73 121.20 126.03 1i7q s ILE 30 Ca -0.13 -0.55 0.05 0.00 -1.10 0.00 0.00 60.65 58.91 1i7q s ILE 30 Cb -0.17 -2.44 -0.01 0.00 -1.06 0.00 0.00 42.46 38.79 1i7q s ILE 30 CO 0.07 0.49 -0.17 -0.31 -0.10 0.00 0.00 174.94 174.92 1i7q s TYR 31 N 0.62 1.57 0.83 3.97 1.51 -1.00 -4.99 117.35 119.86 1i7q s TYR 31 Ca -0.05 -0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 1i7q s TYR 31 Cb -0.15 -1.02 0.09 0.00 -0.11 0.00 0.00 41.96 40.77 1i7q s TYR 31 CO 0.03 -0.06 1.09 1.03 -1.11 0.00 0.00 175.55 176.53 1i7q s ARG 32 N -0.28 1.78 0.53 -0.62 1.81 -1.26 -1.40 118.95 119.51 1i7q s ARG 32 Ca 0.04 0.79 0.24 0.00 -1.72 0.00 0.00 55.73 55.08 1i7q s ARG 32 Cb -0.08 -1.87 1.39 0.00 -0.45 0.00 0.00 34.95 33.95 1i7q s ARG 32 CO 0.00 -1.87 2.03 -0.97 -0.68 0.00 0.00 175.30 173.81 1i7q h ASN 33 N -1.28 0.00 -0.73 0.23 -0.00 -1.71 -2.98 115.58 109.12 1i7q h ASN 33 Ca -0.48 0.00 -0.40 0.00 -0.00 0.00 0.00 56.30 55.43 1i7q h ASN 33 Cb 1.27 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 39.36 1i7q h ASN 33 CO 0.56 0.00 0.50 0.00 -0.00 0.00 0.00 177.43 178.50 1i7q n GLN 34 N -4.35 1.96 -5.05 6.67 3.00 -1.26 -2.14 117.38 116.20 1i7q n GLN 34 Ca 0.07 -2.22 -0.32 0.00 -0.01 0.00 0.00 57.00 54.52 1i7q n GLN 34 Cb 0.50 -1.87 -0.15 0.00 0.00 0.00 0.00 30.24 28.72 1i7q n GLN 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1i7q s ILE 35 N -2.56 2.60 0.15 5.09 1.01 -1.13 -5.06 121.20 121.30 1i7q s ILE 35 Ca 0.42 -0.88 -0.33 0.00 0.00 0.00 0.00 60.65 59.86 1i7q s ILE 35 Cb 0.35 -2.00 -0.17 0.00 0.01 0.00 0.00 42.46 40.66 1i7q s ILE 35 CO 0.07 0.57 1.03 0.61 0.00 0.00 0.00 174.94 177.22 1i7q n GLY 36 N 2.74 -0.32 0.27 6.18 0.00 -1.26 -4.75 105.19 108.05 1i7q n GLY 36 Ca -0.17 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1i7q n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7q h ALA 37 N 2.87 0.95 -0.87 4.61 0.00 -1.96 -0.14 119.26 124.71 1i7q h ALA 37 Ca -0.42 0.01 0.22 0.00 0.00 0.00 0.00 54.91 54.72 1i7q h ALA 37 Cb 1.38 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1i7q h ALA 37 CO 0.67 0.11 0.60 0.93 0.00 0.00 0.00 179.25 181.55 1i7q h GLU 38 N 0.76 0.24 0.07 0.00 4.39 -1.97 1.18 114.58 119.25 1i7q h GLU 38 Ca 0.31 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1i7q h GLU 38 Cb 0.17 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1i7q h GLU 38 CO -0.17 0.16 -0.03 0.28 -1.16 0.00 0.00 179.01 178.08 1i7q h VAL 39 N 0.25 1.13 -0.20 3.13 2.07 -1.36 0.45 116.25 121.72 1i7q h VAL 39 Ca 0.44 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1i7q h VAL 39 Cb 1.33 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1i7q h VAL 39 CO -0.11 0.17 0.11 0.40 0.02 0.00 0.00 177.57 178.16 1i7q h ILE 40 N -0.41 1.11 -0.74 4.57 1.08 -0.36 0.97 117.51 123.74 1i7q h ILE 40 Ca -0.01 -0.31 0.08 0.00 -0.39 0.00 0.00 64.86 64.22 1i7q h ILE 40 Cb 0.36 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.00 1i7q h ILE 40 CO 0.02 0.11 0.41 0.40 -0.69 0.00 0.00 178.15 178.39 1i7q h ILE 41 N 0.21 0.93 -0.01 -0.67 2.04 0.13 0.18 117.51 120.33 1i7q h ILE 41 Ca 0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1i7q h ILE 41 Cb 0.08 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1i7q h ILE 41 CO -0.01 0.13 0.00 -0.33 0.00 0.00 0.00 178.15 177.94 1i7q h GLU 42 N 0.72 0.02 -0.33 2.37 5.08 0.24 -2.63 114.58 120.06 1i7q h GLU 42 Ca 0.34 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1i7q h GLU 42 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1i7q h GLU 42 CO -0.22 0.25 0.22 -0.09 -1.00 0.00 0.00 179.01 178.17 1i7q h ARG 43 N -0.21 0.30 0.00 2.33 9.65 -0.25 0.50 114.38 126.69 1i7q h ARG 43 Ca 0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1i7q h ARG 43 Cb 0.24 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1i7q h ARG 43 CO 0.00 0.20 -0.15 -0.07 2.80 0.00 0.00 179.97 182.75 1i7q h LEU 44 N 0.31 0.00 -0.50 3.80 3.38 -0.29 -2.08 115.31 119.93 1i7q h LEU 44 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1i7q h LEU 44 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i7q h LEU 44 CO -0.03 0.15 -0.17 1.56 0.09 0.00 0.00 178.44 180.04 1i7q h GLN 45 N 0.00 0.00 -0.05 1.13 4.20 -0.67 -2.91 115.11 116.81 1i7q h GLN 45 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1i7q h GLN 45 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1i7q h GLN 45 CO 0.02 0.17 -0.50 0.45 -0.67 0.00 0.00 178.83 178.30 1i7q h HIS 46 N 0.00 0.15 -3.77 2.96 3.86 -1.32 -3.44 115.15 113.58 1i7q h HIS 46 Ca -0.00 -0.05 -0.49 0.00 -1.16 0.00 0.00 60.37 58.67 1i7q h HIS 46 Cb 0.95 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1i7q h HIS 46 CO 0.00 0.60 0.14 -1.64 0.86 0.00 0.00 177.93 177.89 1i7q s MET 47 N -3.93 3.97 -0.16 2.45 -1.94 -1.10 -5.04 119.30 113.55 1i7q s MET 47 Ca -0.03 0.68 -0.14 0.00 -1.71 0.00 0.00 55.69 54.49 1i7q s MET 47 Cb 0.13 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 1i7q s MET 47 CO 0.77 0.07 -0.26 0.39 -0.01 0.00 0.00 175.02 175.97 1i7q n GLU 49 N -0.67 0.49 -2.85 2.03 -0.58 -1.26 -4.58 120.64 113.23 1i7q n GLU 49 Ca 0.04 0.37 -0.40 0.00 -0.42 0.00 0.00 57.16 56.75 1i7q n GLU 49 Cb 0.53 -1.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.85 1i7q n GLU 49 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1i7q n GLN 50 N -4.54 4.75 -2.54 3.49 3.00 -1.26 -5.01 117.38 115.27 1i7q n GLN 50 Ca -0.11 -4.65 -0.42 0.00 -0.01 0.00 0.00 57.00 51.81 1i7q n GLN 50 Cb 0.40 -2.45 -0.03 0.00 0.00 0.00 0.00 30.24 28.15 1i7q n GLN 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1i7q s PRO 51 N -3.59 4.41 -0.05 -1.09 0.04 -1.24 -1.07 135.00 132.41 1i7q s PRO 51 Ca 0.37 1.59 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1i7q s PRO 51 Cb 0.14 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1i7q s PRO 51 CO -0.03 -0.33 -0.16 0.08 0.04 0.00 0.00 177.00 176.60 1i7q s VAL 52 N 1.81 2.89 -0.23 -0.36 1.01 0.18 -4.39 120.40 121.31 1i7q s VAL 52 Ca 0.54 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1i7q s VAL 52 Cb -0.23 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1i7q s VAL 52 CO 0.23 0.59 0.20 -0.22 0.00 0.00 0.00 175.10 175.90 1i7q s LEU 53 N -0.65 4.13 -0.11 3.92 2.96 -0.11 -1.40 118.68 127.42 1i7q s LEU 53 Ca 0.10 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1i7q s LEU 53 Cb -0.11 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.40 1i7q s LEU 53 CO 0.01 0.05 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.53 1i7q s MET 54 N 1.06 3.07 -0.35 1.98 -2.45 0.10 -0.82 119.30 121.88 1i7q s MET 54 Ca 0.10 -0.86 -0.12 0.00 -1.25 0.00 0.00 55.69 53.56 1i7q s MET 54 Cb -0.14 -2.36 0.01 0.00 1.25 0.00 0.00 34.83 33.59 1i7q s MET 54 CO 0.05 0.13 0.21 -0.51 1.05 0.00 0.00 175.02 175.96 1i7q s LEU 55 N 0.46 4.56 1.07 4.11 1.43 -0.29 -0.42 118.68 129.60 1i7q s LEU 55 Ca -0.16 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.11 1i7q s LEU 55 Cb -0.17 -2.07 0.23 0.00 0.03 0.00 0.00 46.19 44.21 1i7q s LEU 55 CO 0.06 -0.31 1.07 -0.94 0.23 0.00 0.00 176.35 176.46 1i7q s SER 56 N 1.63 1.91 1.09 2.29 1.04 0.00 -1.24 113.70 120.41 1i7q s SER 56 Ca 0.04 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 57.57 1i7q s SER 56 Cb -0.18 -1.99 0.25 0.00 0.10 0.00 0.00 66.02 64.20 1i7q s SER 56 CO 0.08 -3.59 1.25 -2.84 0.98 0.00 0.00 173.24 169.12 1i7q s PRO 57 N -4.78 -0.34 0.00 4.02 0.02 -1.19 -3.36 135.00 129.37 1i7q s PRO 57 Ca 0.67 -0.35 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1i7q s PRO 57 Cb -0.21 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1i7q s PRO 57 CO 0.60 -3.07 0.00 0.41 -0.33 0.00 0.00 177.00 174.61 1i7q n GLY 58 N -2.66 0.59 3.83 0.52 0.00 -1.26 -4.07 105.19 102.14 1i7q n GLY 58 Ca 0.16 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1i7q n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i7q s PRO 59 N -2.00 3.28 2.45 1.61 0.04 -1.26 -4.73 135.00 134.39 1i7q s PRO 59 Ca 0.00 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1i7q s PRO 59 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1i7q s PRO 59 CO 0.00 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1i7q n GLY 60 N -1.90 -0.87 3.77 0.56 0.00 -1.26 -4.88 105.19 100.60 1i7q n GLY 60 Ca 0.07 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 1i7q n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7q s THR 61 N 0.00 4.56 0.26 2.61 2.01 -1.26 -5.02 115.64 118.80 1i7q s THR 61 Ca 0.00 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1i7q s THR 61 Cb 0.00 -3.15 0.24 0.00 0.01 0.00 0.00 72.50 69.60 1i7q s THR 61 CO 0.00 0.21 1.78 1.55 -0.69 0.00 0.00 174.62 177.47 1i7q h PRO 62 N 3.60 0.68 -0.32 4.92 0.13 -1.90 -1.94 132.00 137.17 1i7q h PRO 62 Ca -0.47 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1i7q h PRO 62 Cb 1.17 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1i7q h PRO 62 CO 0.64 0.45 0.31 0.66 -0.23 0.00 0.00 178.00 179.84 1i7q h SER 63 N 0.70 0.00 -0.66 1.44 4.64 -1.95 -1.42 113.55 116.30 1i7q h SER 63 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1i7q h SER 63 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1i7q h SER 63 CO -0.33 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.01 1i7q n GLU 64 N -3.91 2.70 -2.65 4.77 4.71 -0.73 -4.83 120.64 120.70 1i7q n GLU 64 Ca 0.05 -2.58 -0.43 0.00 -0.01 0.00 0.00 57.16 54.19 1i7q n GLU 64 Cb 0.47 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 1i7q n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i7q n ALA 65 N 1.57 3.72 -0.03 0.62 0.00 -0.54 -4.96 120.51 120.89 1i7q n ALA 65 Ca 0.23 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1i7q n ALA 65 Cb 0.61 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1i7q n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7q n GLY 66 N 4.97 2.40 0.11 0.00 0.00 -1.26 -1.38 105.19 110.02 1i7q n GLY 66 Ca 0.46 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.56 1i7q n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7q h MET 68 N 0.45 -0.07 -0.58 0.00 1.85 -1.51 0.26 114.93 115.33 1i7q h MET 68 Ca 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.18 1i7q h MET 68 Cb 0.10 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.11 1i7q h MET 68 CO 0.00 -0.04 0.39 -1.35 -0.40 0.00 0.00 176.91 175.51 1i7q h PRO 69 N -0.07 0.42 0.37 0.39 0.11 -1.77 -1.30 132.00 130.15 1i7q h PRO 69 Ca 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1i7q h PRO 69 Cb 0.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1i7q h PRO 69 CO -0.03 0.28 -0.18 1.49 -0.21 0.00 0.00 178.00 179.34 1i7q h GLU 70 N 0.43 -0.48 -1.15 1.05 4.81 -1.74 -2.35 114.58 115.15 1i7q h GLU 70 Ca 0.27 0.03 0.36 0.00 -0.13 0.00 0.00 59.36 59.88 1i7q h GLU 70 Cb 0.48 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 1i7q h GLU 70 CO -0.07 -0.20 0.72 1.25 -0.73 0.00 0.00 179.01 179.97 1i7q h LEU 71 N -1.03 0.38 -0.50 1.64 5.85 -0.64 0.90 115.31 121.91 1i7q h LEU 71 Ca -0.05 0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1i7q h LEU 71 Cb 0.50 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1i7q h LEU 71 CO 0.08 -0.10 -0.65 -0.07 -0.34 0.00 0.00 178.44 177.36 1i7q h LEU 72 N 0.24 0.45 -0.15 2.25 3.38 -1.18 0.53 115.31 120.82 1i7q h LEU 72 Ca 0.73 -0.27 -0.23 0.00 0.09 0.00 0.00 57.88 58.20 1i7q h LEU 72 Cb 2.02 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.65 1i7q h LEU 72 CO -0.44 0.98 -0.86 1.56 0.09 0.00 0.00 178.44 179.77 1i7q h GLN 73 N 0.28 0.70 0.00 1.13 4.20 0.12 -2.84 115.11 118.71 1i7q h GLN 73 Ca -0.01 -0.63 -0.11 0.00 0.06 0.00 0.00 58.65 57.95 1i7q h GLN 73 Cb 1.20 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1i7q h GLN 73 CO 0.11 1.23 -0.52 0.00 -0.67 0.00 0.00 178.83 178.98 1i7q h ARG 74 N 0.46 0.00 0.00 1.46 3.08 -0.63 -3.39 114.38 115.36 1i7q h ARG 74 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1i7q h ARG 74 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1i7q h ARG 74 CO 0.17 0.52 -0.34 1.28 -1.07 0.00 0.00 179.97 180.53 1i7q n LEU 75 N -3.28 0.25 -4.66 3.04 4.77 0.17 -4.93 117.00 112.36 1i7q n LEU 75 Ca 0.01 -0.46 -0.45 0.00 -0.03 0.00 0.00 56.01 55.08 1i7q n LEU 75 Cb 0.72 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1i7q n LEU 75 CO 0.40 0.06 0.95 -1.14 -1.33 0.00 0.00 177.39 176.33 1i7q n ARG 76 N -1.18 1.93 0.00 3.23 0.63 -1.07 -0.93 116.66 119.27 1i7q n ARG 76 Ca 0.01 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1i7q n ARG 76 Cb 0.09 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1i7q n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i7q n GLY 77 N 1.89 3.06 0.06 5.14 0.00 -1.26 -4.83 105.19 109.23 1i7q n GLY 77 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1i7q n GLY 77 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7q n GLN 78 N -2.00 0.40 -3.51 1.61 6.02 -0.11 -4.99 117.38 114.81 1i7q n GLN 78 Ca 0.00 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1i7q n GLN 78 Cb 0.00 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 1i7q n GLN 78 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1i7q s LEU 79 N -4.38 -0.38 0.44 1.08 2.34 -1.24 -5.15 118.68 111.39 1i7q s LEU 79 Ca 0.02 0.05 -0.25 0.00 0.06 0.00 0.00 54.13 54.01 1i7q s LEU 79 Cb 0.13 2.05 -0.08 0.00 -0.56 0.00 0.00 46.19 47.73 1i7q s LEU 79 CO 0.80 -0.61 1.32 -2.84 -1.06 0.00 0.00 176.35 173.95 1i7q s PRO 80 N -2.95 3.75 -0.04 1.48 0.02 -1.26 -4.85 135.00 131.14 1i7q s PRO 80 Ca 0.04 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1i7q s PRO 80 Cb -0.01 -2.61 0.03 0.00 0.02 0.00 0.00 34.50 31.92 1i7q s PRO 80 CO -0.08 -0.68 -0.01 0.42 -0.33 0.00 0.00 177.00 176.32 1i7q s ILE 81 N -1.29 0.31 -0.21 2.83 1.01 -0.86 -0.93 121.20 122.06 1i7q s ILE 81 Ca 0.61 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.28 1i7q s ILE 81 Cb -0.39 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 1i7q s ILE 81 CO 0.49 0.19 -0.08 -0.63 0.00 0.00 0.00 174.94 174.91 1i7q s ILE 82 N 1.21 3.10 -0.17 2.92 1.01 -0.00 -1.10 121.20 128.17 1i7q s ILE 82 Ca -0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1i7q s ILE 82 Cb -0.13 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1i7q s ILE 82 CO -0.02 0.45 -0.02 -0.83 0.00 0.00 0.00 174.94 174.52 1i7q s GLY 83 N 1.40 1.73 -0.28 6.18 0.00 0.17 -1.14 107.32 115.37 1i7q s GLY 83 Ca 0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 1i7q s GLY 83 CO -0.05 0.01 0.04 -0.42 0.00 0.00 0.00 173.10 172.68 1i7q s ILE 84 N 0.51 3.73 0.00 0.90 -1.09 -0.38 -0.59 121.20 124.29 1i7q s ILE 84 Ca -0.02 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1i7q s ILE 84 Cb -0.14 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1i7q s ILE 84 CO 0.02 0.15 0.00 0.00 -1.23 0.00 0.00 174.94 173.89 1i7q h LEU 86 N 0.00 0.82 -0.54 0.00 5.85 -1.85 -0.51 115.31 119.07 1i7q h LEU 86 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1i7q h LEU 86 Cb 0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1i7q h LEU 86 CO 0.00 0.55 0.34 1.23 -0.34 0.00 0.00 178.44 180.22 1i7q h GLY 87 N 0.96 0.78 0.97 3.75 0.00 -1.39 -0.65 103.07 107.50 1i7q h GLY 87 Ca 0.33 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1i7q h GLY 87 CO -0.13 0.31 0.62 0.84 0.00 0.00 0.00 176.54 178.18 1i7q h HIS 88 N 0.73 1.16 0.00 5.60 -0.00 -1.30 -0.95 115.15 120.40 1i7q h HIS 88 Ca 0.20 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.48 1i7q h HIS 88 Cb -0.03 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 26.97 1i7q h HIS 88 CO -0.03 0.72 -0.55 1.96 -0.00 0.00 0.00 177.93 180.03 1i7q h GLN 89 N 1.24 0.00 -0.48 5.26 4.20 -0.66 -1.13 115.11 123.53 1i7q h GLN 89 Ca 0.35 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.95 1i7q h GLN 89 Cb -0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1i7q h GLN 89 CO -0.09 0.55 -0.15 0.00 -0.67 0.00 0.00 178.83 178.48 1i7q h ALA 90 N 1.45 0.67 -0.15 3.87 0.00 -0.51 -1.92 119.26 122.66 1i7q h ALA 90 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1i7q h ALA 90 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1i7q h ALA 90 CO 0.07 0.60 0.07 0.82 0.00 0.00 0.00 179.25 180.81 1i7q h ILE 91 N 0.80 1.14 -0.61 0.00 2.04 -0.76 0.36 117.51 120.49 1i7q h ILE 91 Ca 0.12 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.67 1i7q h ILE 91 Cb 0.71 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1i7q h ILE 91 CO 0.05 0.13 0.41 0.58 0.00 0.00 0.00 178.15 179.32 1i7q h VAL 92 N 0.10 0.87 0.08 1.67 2.07 -1.11 -2.09 116.25 117.83 1i7q h VAL 92 Ca 0.05 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 1i7q h VAL 92 Cb 0.15 0.47 0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1i7q h VAL 92 CO -0.01 0.07 -0.65 -0.33 0.02 0.00 0.00 177.57 176.67 1i7q h GLU 93 N 0.37 0.30 0.00 1.57 5.08 -0.44 0.49 114.58 121.95 1i7q h GLU 93 Ca 0.28 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1i7q h GLU 93 Cb 0.62 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1i7q h GLU 93 CO -0.07 1.16 0.10 0.00 -1.00 0.00 0.00 179.01 179.20 1i7q h ALA 94 N 0.16 1.09 -0.31 3.43 0.00 0.22 0.29 119.26 124.14 1i7q h ALA 94 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i7q h ALA 94 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1i7q h ALA 94 CO 0.12 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1i7q n TYR 95 N -2.81 0.39 -0.50 0.00 4.02 -0.84 -4.95 117.16 112.48 1i7q n TYR 95 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 1i7q n TYR 95 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1i7q n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i7q n GLY 96 N 1.46 0.74 3.97 2.72 0.00 0.10 -4.71 105.19 109.47 1i7q n GLY 96 Ca 0.18 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1i7q n GLY 96 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i7q s GLY 97 N -2.05 1.76 0.09 -0.02 0.00 0.17 -4.84 107.32 102.43 1i7q s GLY 97 Ca 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 44.72 43.27 1i7q s GLY 97 CO 0.00 -0.91 -0.06 1.20 0.00 0.00 0.00 173.10 173.33 1i7q s GLN 98 N -5.33 2.33 -0.13 2.90 -0.21 -0.82 -4.28 119.66 114.12 1i7q s GLN 98 Ca 0.67 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1i7q s GLN 98 Cb -0.06 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.56 1i7q s GLN 98 CO 0.46 0.53 -0.15 0.08 -2.12 0.00 0.00 175.29 174.09 1i7q s VAL 99 N -1.24 1.57 0.27 1.09 1.01 -1.26 -1.16 120.40 120.68 1i7q s VAL 99 Ca 0.23 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1i7q s VAL 99 Cb -0.11 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1i7q s VAL 99 CO 0.15 0.46 0.33 0.61 0.00 0.00 0.00 175.10 176.65 1i7q n GLY 100 N 4.51 2.60 3.74 4.51 0.00 -0.31 -4.93 105.19 115.31 1i7q n GLY 100 Ca -0.18 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1i7q n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i7q s GLN 101 N -2.74 4.18 0.60 1.61 -1.52 -1.26 0.06 119.66 120.58 1i7q s GLN 101 Ca 0.25 2.46 -0.16 0.00 -1.95 0.00 0.00 55.36 55.97 1i7q s GLN 101 Cb -0.00 -3.08 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 1i7q s GLN 101 CO 0.18 -0.58 1.06 0.00 -0.25 0.00 0.00 175.29 175.70 1i7q s ALA 102 N 0.31 2.73 -0.40 6.09 0.00 -0.13 -4.73 121.76 125.63 1i7q s ALA 102 Ca 0.64 0.40 0.25 0.00 0.00 0.00 0.00 51.96 53.25 1i7q s ALA 102 Cb -0.46 -3.24 0.59 0.00 0.00 0.00 0.00 23.12 20.02 1i7q s ALA 102 CO 0.42 -0.83 1.70 0.78 0.00 0.00 0.00 175.76 177.83 1i7q h GLY 103 N 0.42 0.00 -7.06 0.00 0.00 -1.94 -3.41 103.07 91.08 1i7q h GLY 103 Ca -0.47 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.42 1i7q h GLY 103 CO 0.57 0.00 -0.76 -0.54 0.00 0.00 0.00 176.54 175.81 1i7q s GLU 104 N -3.27 0.56 -0.26 4.80 0.41 -1.26 -5.12 118.70 114.55 1i7q s GLU 104 Ca 0.07 0.10 -0.12 0.00 -0.41 0.00 0.00 54.97 54.60 1i7q s GLU 104 Cb 0.07 -1.01 -0.05 0.00 -1.78 0.00 0.00 34.13 31.36 1i7q s GLU 104 CO 0.63 -0.33 0.25 0.42 -0.49 0.00 0.00 175.26 175.74 1i7q s ILE 105 N 1.98 5.27 -0.15 -1.63 1.01 -1.26 -4.98 121.20 121.44 1i7q s ILE 105 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1i7q s ILE 105 Cb -0.12 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1i7q s ILE 105 CO -0.05 0.24 -0.18 -0.76 0.00 0.00 0.00 174.94 174.19 1i7q s LEU 106 N 1.68 1.94 -0.27 2.97 1.02 -1.25 -5.06 118.68 119.72 1i7q s LEU 106 Ca 0.10 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.70 1i7q s LEU 106 Cb -0.15 -1.33 0.08 0.00 0.02 0.00 0.00 46.19 44.80 1i7q s LEU 106 CO 0.09 0.01 0.00 -1.00 0.02 0.00 0.00 176.35 175.47 1i7q s HIS 107 N 1.19 2.47 0.00 0.29 3.76 -1.25 -2.06 115.29 119.69 1i7q s HIS 107 Ca 0.01 -1.97 0.00 0.00 -0.15 0.00 0.00 55.06 52.95 1i7q s HIS 107 Cb -0.14 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1i7q s HIS 107 CO -0.08 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.39 1i7q n GLY 108 N 4.64 0.80 3.22 -2.22 0.00 -0.27 -4.99 105.19 106.37 1i7q n GLY 108 Ca -0.07 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1i7q n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7q s LYS 109 N -1.94 0.97 0.18 1.61 1.02 -1.20 -4.97 119.74 115.41 1i7q s LYS 109 Ca 0.00 -1.27 0.05 0.00 0.02 0.00 0.00 55.97 54.77 1i7q s LYS 109 Cb 0.00 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1i7q s LYS 109 CO 0.00 0.12 0.21 0.00 -0.92 0.00 0.00 175.35 174.76 1i7q s ALA 110 N -2.56 3.73 -0.03 5.17 0.00 -1.26 -0.81 121.76 126.00 1i7q s ALA 110 Ca 0.10 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 1i7q s ALA 110 Cb -0.02 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.58 1i7q s ALA 110 CO 0.01 0.45 0.07 0.45 0.00 0.00 0.00 175.76 176.74 1i7q s SER 111 N -3.34 -0.07 -0.53 0.00 0.15 -0.85 -4.92 113.70 104.15 1i7q s SER 111 Ca 0.33 0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.89 1i7q s SER 111 Cb -0.10 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1i7q s SER 111 CO 0.26 -0.03 0.84 0.00 1.20 0.00 0.00 173.24 175.51 1i7q s ALA 112 N 0.02 3.23 0.01 5.45 0.00 -1.26 -0.88 121.76 128.35 1i7q s ALA 112 Ca -0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 1i7q s ALA 112 Cb -0.01 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1i7q s ALA 112 CO 0.00 -2.24 0.41 0.96 0.00 0.00 0.00 175.76 174.88 1i7q s ILE 113 N 3.52 5.04 -0.14 0.00 -4.36 -0.26 -4.66 121.20 120.35 1i7q s ILE 113 Ca 0.26 0.77 -0.25 0.00 -0.26 0.00 0.00 60.65 61.17 1i7q s ILE 113 Cb -0.14 -3.69 -0.02 0.00 1.25 0.00 0.00 42.46 39.85 1i7q s ILE 113 CO 0.17 0.52 0.79 0.00 0.24 0.00 0.00 174.94 176.66 1i7q s ALA 114 N -1.14 3.46 0.43 2.27 0.00 -0.58 -0.91 121.76 125.27 1i7q s ALA 114 Ca 0.25 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1i7q s ALA 114 Cb -0.16 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1i7q s ALA 114 CO 0.14 -0.48 0.04 -3.38 0.00 0.00 0.00 175.76 172.07 1i7q s HIS 115 N 1.73 2.07 -2.10 0.00 -0.00 -1.26 -1.11 115.29 114.62 1i7q s HIS 115 Ca 0.38 -0.93 0.29 0.00 -0.00 0.00 0.00 55.06 54.80 1i7q s HIS 115 Cb -0.17 -1.52 1.25 0.00 -0.00 0.00 0.00 32.58 32.14 1i7q s HIS 115 CO 0.14 0.16 1.86 -0.40 -0.00 0.00 0.00 174.74 176.50 1i7q n ASP 116 N -1.07 0.86 -0.13 7.38 5.68 -0.48 -4.92 116.55 123.87 1i7q n ASP 116 Ca -0.09 -1.10 -0.02 0.00 -0.50 0.00 0.00 54.79 53.08 1i7q n ASP 116 Cb 0.67 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.64 1i7q n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7q n GLY 117 N 1.18 0.44 3.67 6.12 0.00 -1.26 -5.01 105.19 110.32 1i7q n GLY 117 Ca 0.18 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1i7q n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7q s GLU 118 N -1.19 2.28 6.85 1.61 2.02 -1.26 -3.42 118.70 125.59 1i7q s GLU 118 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.49 1i7q s GLU 118 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1i7q s GLU 118 CO 0.00 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.95 1i7q n GLY 119 N -0.97 3.99 0.30 -1.39 0.00 -1.26 -1.07 105.19 104.79 1i7q n GLY 119 Ca -0.05 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1i7q n GLY 119 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1i7q h MET 120 N 0.00 0.00 -0.01 1.61 2.86 -1.94 -1.07 114.93 116.38 1i7q h MET 120 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1i7q h MET 120 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1i7q h MET 120 CO 0.00 0.00 -0.22 1.19 1.06 0.00 0.00 176.91 178.94 1i7q n PHE 121 N -3.94 0.00 -1.70 -0.22 3.72 -0.23 -4.66 117.46 110.43 1i7q n PHE 121 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 1i7q n PHE 121 Cb 0.12 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1i7q n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i7q n ALA 122 N -0.66 2.20 -0.67 4.37 0.00 -0.41 -1.75 120.51 123.59 1i7q n ALA 122 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1i7q n ALA 122 Cb 0.34 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1i7q n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7q n GLY 123 N 3.99 1.21 3.84 0.00 0.00 -1.26 -5.00 105.19 107.96 1i7q n GLY 123 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1i7q n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i7q s MET 124 N -0.17 4.06 0.41 1.61 1.00 -0.72 -5.03 119.30 120.47 1i7q s MET 124 Ca 0.00 0.65 -0.25 0.00 0.00 0.00 0.00 55.69 56.10 1i7q s MET 124 Cb 0.00 -2.72 -0.11 0.00 0.00 0.00 0.00 34.83 32.00 1i7q s MET 124 CO 0.00 0.33 1.08 0.00 0.00 0.00 0.00 175.02 176.43 1i7q n ALA 125 N 0.30 0.48 -3.68 3.03 0.00 -1.26 -4.99 120.51 114.38 1i7q n ALA 125 Ca -0.01 0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 1i7q n ALA 125 Cb 0.52 -2.13 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 1i7q n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1i7q s ASN 126 N -0.67 2.02 1.09 0.00 3.84 -1.26 -3.38 114.94 116.58 1i7q s ASN 126 Ca 0.62 -0.38 -0.12 0.00 0.21 0.00 0.00 52.86 53.19 1i7q s ASN 126 Cb -0.55 -0.33 0.24 0.00 -0.55 0.00 0.00 41.25 40.06 1i7q s ASN 126 CO 0.57 -0.29 1.07 -2.16 -2.79 0.00 0.00 177.10 173.50 1i7q s PRO 127 N 2.06 -0.34 -0.15 0.43 0.04 -1.26 -5.05 135.00 130.72 1i7q s PRO 127 Ca 0.03 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1i7q s PRO 127 Cb -0.15 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1i7q s PRO 127 CO -0.07 -3.42 -0.19 -1.17 0.04 0.00 0.00 177.00 172.20 1i7q s LEU 128 N -7.06 1.97 -0.01 -3.56 2.96 -0.09 -4.83 118.68 108.05 1i7q s LEU 128 Ca 0.68 -0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 1i7q s LEU 128 Cb -0.25 -1.35 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 1i7q s LEU 128 CO 0.63 0.02 1.56 -2.84 -1.32 0.00 0.00 176.35 174.39 1i7q s PRO 129 N 1.12 4.22 0.05 0.98 0.02 -1.26 -1.10 135.00 139.03 1i7q s PRO 129 Ca -0.01 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.18 1i7q s PRO 129 Cb -0.14 -3.74 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 1i7q s PRO 129 CO -0.07 -0.73 -0.09 0.14 -0.33 0.00 0.00 177.00 175.92 1i7q s VAL 130 N 3.13 0.70 0.11 3.83 -7.23 -0.06 -4.42 120.40 116.46 1i7q s VAL 130 Ca 0.70 -1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 59.37 1i7q s VAL 130 Cb -0.34 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 1i7q s VAL 130 CO 0.29 -0.38 1.05 0.00 -0.31 0.00 0.00 175.10 175.75 1i7q s ALA 131 N -1.52 3.30 -0.14 1.32 0.00 -1.26 -2.00 121.76 121.46 1i7q s ALA 131 Ca -0.06 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1i7q s ALA 131 Cb -0.09 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1i7q s ALA 131 CO 0.01 -0.18 -0.12 1.03 0.00 0.00 0.00 175.76 176.49 1i7q s ARG 132 N 0.17 3.38 -0.39 0.00 0.52 0.01 -1.15 118.95 121.50 1i7q s ARG 132 Ca 0.50 -0.68 0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1i7q s ARG 132 Cb -0.26 -2.67 0.29 0.00 0.52 0.00 0.00 34.95 32.83 1i7q s ARG 132 CO 0.31 0.17 0.64 0.66 0.02 0.00 0.00 175.30 177.10 1i7q n TYR 133 N 3.66 -0.39 -3.71 -0.53 4.02 -1.20 -1.12 117.16 117.90 1i7q n TYR 133 Ca -0.18 -3.53 -0.12 0.00 -0.01 0.00 0.00 57.90 54.06 1i7q n TYR 133 Cb 0.52 -0.22 -0.10 0.00 -0.02 0.00 0.00 39.34 39.53 1i7q n TYR 133 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 1i7q s HIS 134 N -1.52 -0.57 -0.15 -0.72 -3.43 -0.87 -4.98 115.29 103.06 1i7q s HIS 134 Ca 0.36 1.29 0.22 0.00 -0.80 0.00 0.00 55.06 56.13 1i7q s HIS 134 Cb 0.24 0.23 -0.15 0.00 -1.43 0.00 0.00 32.58 31.48 1i7q s HIS 134 CO -0.10 -0.29 0.79 0.43 -2.00 0.00 0.00 174.74 173.56 1i7q n SER 135 N 3.45 0.50 -4.71 7.38 7.64 -1.26 -3.74 113.62 122.89 1i7q n SER 135 Ca -0.17 0.19 -0.23 0.00 1.01 0.00 0.00 58.87 59.67 1i7q n SER 135 Cb 0.56 1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 64.76 1i7q n SER 135 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i7q s LEU 136 N -5.05 3.36 0.11 -3.43 1.43 -1.26 -0.95 118.68 112.89 1i7q s LEU 136 Ca -0.04 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1i7q s LEU 136 Cb 0.11 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1i7q s LEU 136 CO 0.84 -0.07 0.27 0.54 0.23 0.00 0.00 176.35 178.16 1i7q s VAL 137 N -2.30 0.11 0.10 -1.59 0.11 0.11 -4.72 120.40 112.22 1i7q s VAL 137 Ca 0.33 -1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.32 1i7q s VAL 137 Cb -0.06 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 1i7q s VAL 137 CO 0.22 -0.49 0.30 -0.83 -3.33 0.00 0.00 175.10 170.97 1i7q s GLY 138 N -2.86 2.22 0.36 6.54 0.00 -1.26 -1.16 107.32 111.16 1i7q s GLY 138 Ca 0.06 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 44.02 1i7q s GLY 138 CO -0.09 -0.60 0.63 -1.35 0.00 0.00 0.00 173.10 171.69 1i7q s SER 139 N -2.39 0.40 -1.27 1.64 1.04 -0.31 -4.34 113.70 108.47 1i7q s SER 139 Ca 0.37 -1.27 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 1i7q s SER 139 Cb -0.13 0.75 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 1i7q s SER 139 CO 0.25 -1.48 0.75 -3.20 0.98 0.00 0.00 173.24 170.54 1i7q n ASN 140 N -1.33 -1.71 -4.66 7.02 5.15 -1.26 -1.94 115.26 116.54 1i7q n ASN 140 Ca -0.04 -0.80 -0.43 0.00 -0.60 0.00 0.00 54.58 52.71 1i7q n ASN 140 Cb 0.61 -4.20 -0.02 0.00 -0.53 0.00 0.00 39.78 35.63 1i7q n ASN 140 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1i7q s ILE 141 N -3.61 4.00 0.43 -1.44 -1.09 -1.26 -4.24 121.20 113.99 1i7q s ILE 141 Ca 0.05 1.20 -0.25 0.00 -2.23 0.00 0.00 60.65 59.41 1i7q s ILE 141 Cb -0.01 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1i7q s ILE 141 CO 0.80 -0.15 1.32 -2.16 -1.23 0.00 0.00 174.94 173.52 1i7q s PRO 142 N 3.82 3.83 0.00 2.79 0.04 -1.26 -4.84 135.00 139.38 1i7q s PRO 142 Ca 0.62 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1i7q s PRO 142 Cb -0.25 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1i7q s PRO 142 CO 0.21 -0.61 0.70 0.00 0.04 0.00 0.00 177.00 177.33 1i7q n ALA 143 N -0.08 0.98 0.40 8.56 0.00 -1.26 -0.60 120.51 128.52 1i7q n ALA 143 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1i7q n ALA 143 Cb 0.44 -0.81 0.40 0.00 0.00 0.00 0.00 19.45 19.48 1i7q n ALA 143 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1i7q h ASP 145 N 0.00 0.00 -3.46 0.00 3.58 -1.95 -3.41 116.42 111.18 1i7q h ASP 145 Ca 0.00 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.78 1i7q h ASP 145 Cb 0.11 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 40.85 1i7q h ASP 145 CO 0.00 0.00 -0.74 -0.76 -2.88 0.00 0.00 179.24 174.86 1i7q s LEU 146 N -5.31 3.08 0.03 2.28 1.02 0.23 -4.61 118.68 115.41 1i7q s LEU 146 Ca 0.07 -0.75 -0.28 0.00 0.02 0.00 0.00 54.13 53.19 1i7q s LEU 146 Cb 0.09 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1i7q s LEU 146 CO 0.57 -0.10 0.89 -0.89 0.02 0.00 0.00 176.35 176.84 1i7q s THR 147 N 1.36 4.76 -0.63 5.49 2.01 0.05 -4.78 115.64 123.91 1i7q s THR 147 Ca 0.02 1.89 -0.24 0.00 0.31 0.00 0.00 61.69 63.66 1i7q s THR 147 Cb -0.16 -4.24 0.05 0.00 0.01 0.00 0.00 72.50 68.16 1i7q s THR 147 CO -0.05 0.26 1.03 -0.69 -0.69 0.00 0.00 174.62 174.48 1i7q s VAL 148 N 0.47 4.22 -2.01 3.82 1.01 -1.26 -0.04 120.40 126.61 1i7q s VAL 148 Ca 0.46 0.08 0.19 0.00 0.00 0.00 0.00 61.98 62.71 1i7q s VAL 148 Cb -0.21 -4.68 0.53 0.00 0.00 0.00 0.00 36.38 32.02 1i7q s VAL 148 CO 0.26 -1.40 1.45 -0.46 0.00 0.00 0.00 175.10 174.94 1i7q n ASN 149 N 7.97 3.23 -3.60 3.32 6.94 -0.96 -4.93 115.26 127.23 1i7q n ASN 149 Ca 0.00 -2.00 -0.10 0.00 -0.02 0.00 0.00 54.58 52.46 1i7q n ASN 149 Cb 0.47 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 1i7q n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i7q s ALA 150 N -1.20 -1.95 0.23 -2.53 0.00 -1.24 -1.39 121.76 113.68 1i7q s ALA 150 Ca 0.40 1.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.85 1i7q s ALA 150 Cb 0.21 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1i7q s ALA 150 CO 0.28 -0.27 0.75 -0.98 0.00 0.00 0.00 175.76 175.53 1i7q s ARG 151 N -0.50 1.58 -0.19 0.00 1.70 -0.27 -0.81 118.95 120.46 1i7q s ARG 151 Ca 0.01 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 1i7q s ARG 151 Cb -0.03 0.56 0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1i7q s ARG 151 CO -0.02 -0.72 -0.09 0.12 -1.08 0.00 0.00 175.30 173.51 1i7q s PHE 152 N -3.75 2.27 0.00 5.89 5.36 0.15 -1.53 117.98 126.36 1i7q s PHE 152 Ca 0.10 -1.48 0.00 0.00 -0.96 0.00 0.00 56.93 54.58 1i7q s PHE 152 Cb -0.04 -1.57 0.00 0.00 -0.34 0.00 0.00 43.02 41.06 1i7q s PHE 152 CO 0.03 -0.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.48 1i7q n GLY 153 N 4.72 1.51 0.00 13.12 0.00 -1.26 -1.02 105.19 122.27 1i7q n GLY 153 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1i7q n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7q n GLU 154 N 0.00 3.49 -2.53 1.61 -0.58 -1.26 -5.03 120.64 116.33 1i7q n GLU 154 Ca 0.00 -0.21 -0.41 0.00 -0.42 0.00 0.00 57.16 56.11 1i7q n GLU 154 Cb 0.00 -0.71 -0.04 0.00 -0.57 0.00 0.00 31.44 30.12 1i7q n GLU 154 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1i7q s MET 155 N -0.56 4.56 0.00 3.49 1.75 -0.18 -5.00 119.30 123.36 1i7q s MET 155 Ca 0.00 1.67 -0.30 0.00 -1.25 0.00 0.00 55.69 55.81 1i7q s MET 155 Cb 0.00 -3.33 -0.05 0.00 2.84 0.00 0.00 34.83 34.29 1i7q s MET 155 CO 0.00 -0.01 1.37 0.08 -0.65 0.00 0.00 175.02 175.81 1i7q s VAL 156 N 0.25 3.76 -0.04 10.11 1.01 -1.26 -0.67 120.40 133.55 1i7q s VAL 156 Ca 0.52 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1i7q s VAL 156 Cb -0.28 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1i7q s VAL 156 CO 0.32 0.01 0.11 0.23 0.00 0.00 0.00 175.10 175.77 1i7q n MET 157 N 5.19 1.23 -3.62 2.72 2.81 0.01 -4.68 117.12 120.77 1i7q n MET 157 Ca 0.13 -0.03 -0.16 0.00 -1.81 0.00 0.00 57.70 55.83 1i7q n MET 157 Cb 0.44 -1.02 -0.07 0.00 -0.71 0.00 0.00 33.22 31.86 1i7q n MET 157 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i7q s ALA 158 N -2.12 -1.32 0.05 3.04 0.00 -0.54 -1.25 121.76 119.62 1i7q s ALA 158 Ca -0.01 0.83 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 1i7q s ALA 158 Cb 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1i7q s ALA 158 CO 0.18 -0.34 -0.04 0.14 0.00 0.00 0.00 175.76 175.69 1i7q s VAL 159 N -1.40 0.31 -0.19 0.00 -7.23 -1.05 -2.27 120.40 108.57 1i7q s VAL 159 Ca -0.11 -1.65 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 1i7q s VAL 159 Cb -0.02 -1.29 0.06 0.00 0.56 0.00 0.00 36.38 35.68 1i7q s VAL 159 CO 0.06 -0.86 0.60 0.00 -0.31 0.00 0.00 175.10 174.59 1i7q s ARG 160 N -3.37 0.76 -0.49 4.82 1.70 0.94 -2.37 118.95 120.94 1i7q s ARG 160 Ca 0.03 0.68 0.04 0.00 -0.47 0.00 0.00 55.73 56.02 1i7q s ARG 160 Cb 0.04 0.36 0.12 0.00 -0.57 0.00 0.00 34.95 34.91 1i7q s ARG 160 CO -0.07 -0.13 0.22 0.34 -1.08 0.00 0.00 175.30 174.59 1i7q s ASP 161 N -0.02 4.38 0.49 -2.89 2.15 0.19 -0.77 116.67 120.21 1i7q s ASP 161 Ca -0.03 -2.86 0.20 0.00 0.43 0.00 0.00 52.55 50.29 1i7q s ASP 161 Cb -0.04 -1.63 1.24 0.00 -0.30 0.00 0.00 42.92 42.19 1i7q s ASP 161 CO 0.02 -0.26 1.99 0.44 -0.17 0.00 0.00 175.17 177.20 1i7q h ASP 162 N 6.69 0.15 -0.23 -0.34 3.45 -1.87 0.35 116.42 124.62 1i7q h ASP 162 Ca -0.07 0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.29 1i7q h ASP 162 Cb 0.91 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1i7q h ASP 162 CO 0.66 0.09 -0.25 -0.09 -1.57 0.00 0.00 179.24 178.08 1i7q h ARG 163 N 0.17 0.58 -0.02 3.56 2.43 -1.93 -3.29 114.38 115.87 1i7q h ARG 163 Ca 0.25 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1i7q h ARG 163 Cb 0.78 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1i7q h ARG 163 CO -0.04 0.91 -0.40 0.54 -1.51 0.00 0.00 179.97 179.47 1i7q n ARG 164 N -4.36 1.41 -3.10 0.20 1.74 -0.91 -4.98 116.66 106.66 1i7q n ARG 164 Ca -0.05 -1.04 -0.13 0.00 -0.77 0.00 0.00 57.85 55.86 1i7q n ARG 164 Cb 0.44 -1.43 0.07 0.00 -1.02 0.00 0.00 32.46 30.52 1i7q n ARG 164 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i7q n ARG 165 N 0.09 -4.70 -5.20 5.56 5.12 0.12 -4.52 116.66 113.13 1i7q n ARG 165 Ca 0.09 0.68 -0.32 0.00 -1.93 0.00 0.00 57.85 56.37 1i7q n ARG 165 Cb 0.45 -5.15 -0.16 0.00 -1.16 0.00 0.00 32.46 26.44 1i7q n ARG 165 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1i7q s VAL 166 N -3.29 2.17 0.03 1.55 1.01 -0.96 -2.02 120.40 118.88 1i7q s VAL 166 Ca 0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1i7q s VAL 166 Cb -0.01 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1i7q s VAL 166 CO 0.58 0.56 0.38 0.00 0.00 0.00 0.00 175.10 176.62 1i7q s GLY 168 N -1.85 0.29 -0.08 0.00 0.00 -1.00 0.42 107.32 105.11 1i7q s GLY 168 Ca -0.07 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.02 1i7q s GLY 168 CO -0.01 -0.74 -0.20 -1.36 0.00 0.00 0.00 173.10 170.79 1i7q s PHE 169 N -1.70 2.14 -0.78 1.90 2.99 0.24 -2.51 117.98 120.25 1i7q s PHE 169 Ca -0.13 -0.78 0.26 0.00 0.00 0.00 0.00 56.93 56.28 1i7q s PHE 169 Cb -0.08 -1.45 0.81 0.00 0.00 0.00 0.00 43.02 42.30 1i7q s PHE 169 CO -0.02 -0.31 1.72 0.94 -0.00 0.00 0.00 175.22 177.56 1i7q n GLN 170 N 3.43 0.21 -3.38 0.44 -0.06 -0.38 0.11 117.38 117.74 1i7q n GLN 170 Ca -0.19 0.14 -0.21 0.00 -2.00 0.00 0.00 57.00 54.74 1i7q n GLN 170 Cb 0.53 -1.72 0.02 0.00 -4.06 0.00 0.00 30.24 25.01 1i7q n GLN 170 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1i7q s PHE 171 N -3.09 1.89 -0.54 3.69 -0.12 -1.26 -4.41 117.98 114.14 1i7q s PHE 171 Ca 0.11 -0.67 -0.07 0.00 -0.05 0.00 0.00 56.93 56.25 1i7q s PHE 171 Cb 0.14 -2.14 0.14 0.00 -0.63 0.00 0.00 43.02 40.53 1i7q s PHE 171 CO 0.61 -0.68 0.39 -1.01 -0.05 0.00 0.00 175.22 174.48 1i7q s HIS 172 N -2.62 3.49 0.58 3.49 3.76 -0.30 -4.28 115.29 119.40 1i7q s HIS 172 Ca 0.50 -2.24 0.38 0.00 -0.15 0.00 0.00 55.06 53.55 1i7q s HIS 172 Cb -0.05 -3.39 2.09 0.00 1.11 0.00 0.00 32.58 32.34 1i7q s HIS 172 CO 0.31 -0.95 2.28 -1.00 -0.85 0.00 0.00 174.74 174.54 1i7q h PRO 173 N 7.89 0.00 -0.01 8.40 0.13 -1.88 -2.34 132.00 144.19 1i7q h PRO 173 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1i7q h PRO 173 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1i7q h PRO 173 CO 0.77 0.01 -0.10 -0.85 -0.23 0.00 0.00 178.00 177.60 1i7q n GLU 174 N -3.35 1.42 -2.85 0.86 0.00 -1.26 -3.75 120.64 111.72 1i7q n GLU 174 Ca -0.03 -0.88 -0.33 0.00 0.00 0.00 0.00 57.16 55.92 1i7q n GLU 174 Cb 0.11 -1.48 -0.07 0.00 0.00 0.00 0.00 31.44 30.00 1i7q n GLU 174 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1i7q s SER 175 N -2.18 6.97 0.55 -1.84 0.15 -0.88 -4.80 113.70 111.67 1i7q s SER 175 Ca 0.32 1.67 0.26 0.00 0.70 0.00 0.00 55.95 58.90 1i7q s SER 175 Cb 0.20 -2.53 1.60 0.00 -1.71 0.00 0.00 66.02 63.59 1i7q s SER 175 CO 0.40 -0.31 2.18 -0.29 1.20 0.00 0.00 173.24 176.42 1i7q h ILE 176 N 2.01 0.64 0.00 6.45 2.10 -1.92 -0.54 117.51 126.24 1i7q h ILE 176 Ca -0.49 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1i7q h ILE 176 Cb 1.18 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 1i7q h ILE 176 CO 0.62 0.05 0.00 -0.07 -1.08 0.00 0.00 178.15 177.66 1i7q h LEU 177 N 0.00 0.00 -7.83 2.19 3.38 -1.92 -3.36 115.31 107.77 1i7q h LEU 177 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1i7q h LEU 177 Cb 0.11 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.64 1i7q h LEU 177 CO 0.01 0.00 0.58 -0.89 0.09 0.00 0.00 178.44 178.23 1i7q s THR 178 N -3.46 5.28 0.23 0.22 2.01 -0.21 -4.39 115.64 115.31 1i7q s THR 178 Ca 0.04 -2.31 -0.15 0.00 0.31 0.00 0.00 61.69 59.58 1i7q s THR 178 Cb 0.08 -4.66 0.27 0.00 0.01 0.00 0.00 72.50 68.20 1i7q s THR 178 CO 0.56 -1.30 1.57 0.74 -0.69 0.00 0.00 174.62 175.50 1i7q h THR 179 N 4.98 0.10 -0.71 -0.82 2.02 -1.77 -0.57 112.91 116.14 1i7q h THR 179 Ca 0.16 0.00 -0.41 0.00 0.77 0.00 0.00 66.41 66.93 1i7q h THR 179 Cb 0.99 0.10 -0.23 0.00 -1.74 0.00 0.00 68.15 67.26 1i7q h THR 179 CO 0.98 0.00 0.24 1.41 0.37 0.00 0.00 175.52 178.52 1i7q n HIS 180 N -5.50 2.24 0.21 3.16 8.25 -1.26 -4.67 115.22 117.65 1i7q n HIS 180 Ca 0.10 -1.99 0.05 0.00 -0.26 0.00 0.00 57.72 55.62 1i7q n HIS 180 Cb 0.40 -0.79 0.46 0.00 1.12 0.00 0.00 29.99 31.19 1i7q n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1i7q h GLY 181 N 1.28 0.00 1.04 -1.41 0.00 -1.26 -2.23 103.07 100.49 1i7q h GLY 181 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.64 1i7q h GLY 181 CO 0.86 0.00 -0.26 0.00 0.00 0.00 0.00 176.54 177.14 1i7q h ALA 182 N 1.72 0.54 -0.22 3.60 0.00 -1.81 -1.18 119.26 121.91 1i7q h ALA 182 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1i7q h ALA 182 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1i7q h ALA 182 CO 0.04 0.54 0.13 -0.09 0.00 0.00 0.00 179.25 179.87 1i7q h ARG 183 N 0.63 0.30 -0.31 0.00 2.43 -1.84 -0.27 114.38 115.33 1i7q h ARG 183 Ca 0.07 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1i7q h ARG 183 Cb 0.83 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 1i7q h ARG 183 CO 0.07 0.26 -0.09 1.25 -1.51 0.00 0.00 179.97 179.94 1i7q h LEU 184 N 0.27 -0.33 -0.76 3.80 6.46 -1.30 -0.75 115.31 122.69 1i7q h LEU 184 Ca 0.08 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1i7q h LEU 184 Cb 0.03 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1i7q h LEU 184 CO -0.01 -0.12 0.22 0.25 -0.62 0.00 0.00 178.44 178.16 1i7q h LEU 185 N -0.02 1.08 -1.18 2.25 6.46 -0.99 -1.38 115.31 121.54 1i7q h LEU 185 Ca 0.15 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1i7q h LEU 185 Cb 0.25 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1i7q h LEU 185 CO -0.33 1.01 0.56 -0.08 -0.62 0.00 0.00 178.44 178.97 1i7q h GLU 186 N 1.10 1.08 0.00 1.25 4.81 -0.21 -1.62 114.58 120.99 1i7q h GLU 186 Ca 0.24 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1i7q h GLU 186 Cb 0.32 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1i7q h GLU 186 CO -0.01 0.71 0.00 1.96 -0.73 0.00 0.00 179.01 180.95 1i7q h GLN 187 N 1.11 0.00 0.21 1.92 4.20 -0.67 -2.56 115.11 119.32 1i7q h GLN 187 Ca 0.32 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.71 1i7q h GLN 187 Cb -0.08 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.73 1i7q h GLN 187 CO -0.08 0.00 -1.39 1.15 -0.67 0.00 0.00 178.83 177.84 1i7q h THR 188 N 0.00 1.32 -0.36 -0.54 2.02 -0.37 -0.05 112.91 114.92 1i7q h THR 188 Ca 0.00 -2.70 -0.07 0.00 0.77 0.00 0.00 66.41 64.41 1i7q h THR 188 Cb 0.75 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.10 1i7q h THR 188 CO 0.00 0.81 -0.05 0.25 0.37 0.00 0.00 175.52 176.90 1i7q h LEU 189 N 0.17 0.67 -0.19 2.58 5.85 -1.32 0.46 115.31 123.53 1i7q h LEU 189 Ca -0.22 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.19 1i7q h LEU 189 Cb 2.09 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 1i7q h LEU 189 CO 0.26 0.85 -0.03 0.00 -0.34 0.00 0.00 178.44 179.17 1i7q h ALA 190 N 0.84 0.14 -0.60 1.25 0.00 -1.45 0.28 119.26 119.73 1i7q h ALA 190 Ca 0.10 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1i7q h ALA 190 Cb 0.54 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1i7q h ALA 190 CO 0.03 -0.47 0.40 2.35 0.00 0.00 0.00 179.25 181.56 1i7q h TRP 191 N 0.02 0.75 -0.50 0.00 7.01 -0.49 1.24 115.95 123.98 1i7q h TRP 191 Ca 0.09 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.12 1i7q h TRP 191 Cb 0.13 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1i7q h TRP 191 CO -0.20 0.47 0.32 0.00 -2.79 0.00 0.00 178.44 176.24 1i7q h ALA 192 N 1.22 0.63 0.00 2.65 0.00 0.69 -3.36 119.26 121.09 1i7q h ALA 192 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i7q h ALA 192 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1i7q h ALA 192 CO -0.05 0.05 -0.01 -0.07 0.00 0.00 0.00 179.25 179.17 1i7q h LEU 193 N 0.65 0.00 -8.18 0.00 3.38 -0.06 -3.44 115.31 107.66 1i7q h LEU 193 Ca 0.19 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.67 1i7q h LEU 193 Cb -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1i7q h LEU 193 CO -0.06 0.03 1.72 0.00 0.09 0.00 0.00 178.44 180.22 1i7q n ALA 194 N -2.18 0.44 0.00 1.53 0.00 0.42 -5.07 120.51 115.65 1i7q n ALA 194 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1i7q n ALA 194 Cb 0.01 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1i7q n ALA 194 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86