#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot6 n GLU 2 N 0.00 1.29 -3.43 2.12 -0.58 -0.88 -4.94 120.64 114.22 1ot6 n GLU 2 Ca 0.00 0.47 -0.44 0.00 -0.42 0.00 0.00 57.16 56.77 1ot6 n GLU 2 Cb 0.00 -2.17 -0.05 0.00 -0.57 0.00 0.00 31.44 28.65 1ot6 n GLU 2 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1ot6 s HIS 3 N 3.06 3.52 -0.02 -0.32 3.76 -1.26 -4.50 115.29 119.53 1ot6 s HIS 3 Ca 0.95 -1.91 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1ot6 s HIS 3 Cb -1.00 -3.66 0.03 0.00 1.11 0.00 0.00 32.58 29.06 1ot6 s HIS 3 CO 0.61 -0.98 0.03 0.08 -0.85 0.00 0.00 174.74 173.63 1ot6 s VAL 4 N 0.72 -0.04 0.05 -0.90 1.01 -1.26 -5.14 120.40 114.84 1ot6 s VAL 4 Ca 0.12 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1ot6 s VAL 4 Cb -0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 1ot6 s VAL 4 CO -0.04 0.09 0.51 0.00 0.00 0.00 0.00 175.10 175.67 1ot6 s ALA 5 N 1.06 3.63 0.14 5.51 0.00 -1.26 -4.71 121.76 126.12 1ot6 s ALA 5 Ca -0.09 -0.05 -0.35 0.00 0.00 0.00 0.00 51.96 51.47 1ot6 s ALA 5 Cb -0.13 -2.55 -0.15 0.00 0.00 0.00 0.00 23.12 20.29 1ot6 s ALA 5 CO -0.03 0.43 1.43 0.34 0.00 0.00 0.00 175.76 177.93 1ot6 n PHE 6 N 1.75 1.87 -1.01 0.00 -0.00 -1.26 -1.95 117.46 116.87 1ot6 n PHE 6 Ca -0.12 0.47 -0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1ot6 n PHE 6 Cb 0.51 -2.43 -0.00 0.00 -0.00 0.00 0.00 39.48 37.56 1ot6 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ot6 n GLY 7 N 2.81 0.47 3.70 7.13 0.00 -1.26 -5.02 105.19 113.03 1ot6 n GLY 7 Ca 0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ot6 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ot6 n SER 8 N 0.27 2.58 0.23 1.61 7.64 -0.82 -4.90 113.62 120.23 1ot6 n SER 8 Ca -0.00 1.11 0.06 0.00 1.01 0.00 0.00 58.87 61.04 1ot6 n SER 8 Cb 0.03 -1.50 0.53 0.00 -1.01 0.00 0.00 64.21 62.25 1ot6 n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ot6 h GLU 9 N 2.09 0.01 -0.54 1.43 3.07 -1.95 -2.73 114.58 115.97 1ot6 h GLU 9 Ca -0.48 -0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.16 1ot6 h GLU 9 Cb 1.29 -0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.07 1ot6 h GLU 9 CO 0.60 0.15 0.15 -0.40 -1.40 0.00 0.00 179.01 178.11 1ot6 n ASP 10 N -4.37 3.47 -0.09 1.42 5.75 -1.26 -4.73 116.55 116.74 1ot6 n ASP 10 Ca -0.02 -3.49 0.05 0.00 -0.01 0.00 0.00 54.79 51.32 1ot6 n ASP 10 Cb 0.21 -0.68 0.39 0.00 -1.03 0.00 0.00 41.12 40.01 1ot6 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ot6 h ILE 11 N 1.49 1.07 -0.62 2.12 2.10 -1.86 -1.64 117.51 120.17 1ot6 h ILE 11 Ca 0.27 -0.23 -0.03 0.00 1.08 0.00 0.00 64.86 65.95 1ot6 h ILE 11 Cb 2.00 0.35 -0.03 0.00 -1.09 0.00 0.00 36.82 38.05 1ot6 h ILE 11 CO 0.57 0.12 0.26 1.05 -1.08 0.00 0.00 178.15 179.07 1ot6 h GLU 12 N 0.66 0.90 -0.24 2.19 9.09 -1.87 -0.46 114.58 124.85 1ot6 h GLU 12 Ca 0.23 -0.14 -0.07 0.00 0.05 0.00 0.00 59.36 59.43 1ot6 h GLU 12 Cb 0.08 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.01 1ot6 h GLU 12 CO -0.06 0.73 -0.12 -0.91 0.05 0.00 0.00 179.01 178.69 1ot6 h ASN 13 N 0.89 0.51 -0.93 3.06 4.21 -1.71 -2.58 115.58 119.03 1ot6 h ASN 13 Ca 0.21 -0.42 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 1ot6 h ASN 13 Cb 0.16 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.17 1ot6 h ASN 13 CO -0.02 0.82 0.56 0.74 -1.29 0.00 0.00 177.43 178.23 1ot6 h THR 14 N 0.21 1.26 -0.00 2.81 2.02 -0.90 -3.07 112.91 115.24 1ot6 h THR 14 Ca 0.05 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1ot6 h THR 14 Cb 0.63 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1ot6 h THR 14 CO 0.04 0.27 -0.09 0.18 0.37 0.00 0.00 175.52 176.29 1ot6 n LEU 15 N -4.35 0.42 0.30 2.58 4.32 -0.22 -3.71 117.00 116.34 1ot6 n LEU 15 Ca 0.10 0.02 0.17 0.00 -0.02 0.00 0.00 56.01 56.29 1ot6 n LEU 15 Cb 0.06 -0.18 0.99 0.00 -1.62 0.00 0.00 43.42 42.67 1ot6 n LEU 15 CO 0.38 0.08 1.14 0.00 -1.22 0.00 0.00 177.39 177.77 1ot6 h ALA 16 N 3.62 1.42 -0.01 -1.18 0.00 -1.35 -2.82 119.26 118.94 1ot6 h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ot6 h ALA 16 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ot6 h ALA 16 CO 0.00 -0.03 -0.21 0.36 0.00 0.00 0.00 179.25 179.37 1ot6 n LYS 17 N -3.63 0.97 -3.49 0.00 2.85 -1.24 -4.92 118.16 108.69 1ot6 n LYS 17 Ca -0.03 -0.56 -0.40 0.00 -1.05 0.00 0.00 58.31 56.27 1ot6 n LYS 17 Cb 0.11 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 32.90 1ot6 n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1ot6 s MET 18 N -2.42 3.60 0.14 -1.58 -1.94 -1.07 -5.04 119.30 111.00 1ot6 s MET 18 Ca 0.27 -0.50 -0.02 0.00 -1.71 0.00 0.00 55.69 53.72 1ot6 s MET 18 Cb 0.20 -3.78 0.03 0.00 2.01 0.00 0.00 34.83 33.29 1ot6 s MET 18 CO 0.49 -0.42 0.14 -0.40 -0.01 0.00 0.00 175.02 174.81 1ot6 n ASP 19 N 5.19 -0.83 -0.06 3.03 3.85 -1.26 -4.70 116.55 121.77 1ot6 n ASP 19 Ca -0.12 -0.70 -0.11 0.00 -0.71 0.00 0.00 54.79 53.15 1ot6 n ASP 19 Cb 0.50 -0.12 -0.05 0.00 -1.35 0.00 0.00 41.12 40.10 1ot6 n ASP 19 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1ot6 h ASP 20 N -0.95 0.30 0.35 -1.12 3.45 -1.99 -1.13 116.42 115.33 1ot6 h ASP 20 Ca -0.05 -0.21 -0.08 0.00 0.43 0.00 0.00 57.03 57.12 1ot6 h ASP 20 Cb 0.15 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1ot6 h ASP 20 CO 0.03 0.43 -0.37 1.23 -1.57 0.00 0.00 179.24 179.00 1ot6 h GLY 21 N 0.15 0.04 1.05 2.75 0.00 -2.00 -2.13 103.07 102.93 1ot6 h GLY 21 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1ot6 h GLY 21 CO -0.00 0.03 0.09 1.46 0.00 0.00 0.00 176.54 178.12 1ot6 h GLN 22 N 0.03 1.03 0.00 4.80 4.20 -1.85 -2.96 115.11 120.36 1ot6 h GLN 22 Ca 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1ot6 h GLN 22 Cb 0.67 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ot6 h GLN 22 CO 0.05 0.97 -0.06 1.25 -0.67 0.00 0.00 178.83 180.36 1ot6 h LEU 23 N 0.94 0.00 -0.78 1.46 5.85 -0.83 -1.05 115.31 120.90 1ot6 h LEU 23 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ot6 h LEU 23 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1ot6 h LEU 23 CO 0.01 0.06 0.00 0.47 -0.34 0.00 0.00 178.44 178.65 1ot6 n ASP 24 N -4.34 0.69 -0.47 1.25 8.00 -0.83 -2.12 116.55 118.73 1ot6 n ASP 24 Ca -0.03 0.68 0.06 0.00 0.71 0.00 0.00 54.79 56.21 1ot6 n ASP 24 Cb 0.15 -0.82 0.19 0.00 -0.02 0.00 0.00 41.12 40.62 1ot6 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot6 n GLY 25 N -0.08 0.17 3.81 0.44 0.00 -0.40 -4.65 105.19 104.48 1ot6 n GLY 25 Ca 0.02 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1ot6 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ot6 s LEU 26 N -1.14 3.54 0.00 0.99 1.43 -0.90 -2.07 118.68 120.52 1ot6 s LEU 26 Ca 0.21 1.78 0.27 0.00 -1.03 0.00 0.00 54.13 55.35 1ot6 s LEU 26 Cb 0.11 -4.53 1.27 0.00 0.03 0.00 0.00 46.19 43.07 1ot6 s LEU 26 CO 0.15 -1.04 1.89 0.00 0.23 0.00 0.00 176.35 177.57 1ot6 n ALA 27 N -1.90 2.29 -2.21 4.21 0.00 -1.26 -4.74 120.51 116.89 1ot6 n ALA 27 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1ot6 n ALA 27 Cb 0.53 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1ot6 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ot6 s PHE 28 N -2.72 1.07 0.39 0.00 -0.12 -1.26 -5.04 117.98 110.30 1ot6 s PHE 28 Ca 0.21 -1.05 -0.25 0.00 -0.05 0.00 0.00 56.93 55.79 1ot6 s PHE 28 Cb 0.18 -0.61 -0.09 0.00 -0.63 0.00 0.00 43.02 41.86 1ot6 s PHE 28 CO 0.43 -0.27 1.09 0.20 -0.05 0.00 0.00 175.22 176.61 1ot6 s GLY 29 N -3.12 2.81 -0.05 1.99 0.00 0.42 -4.62 107.32 104.75 1ot6 s GLY 29 Ca 0.22 0.79 -0.02 0.00 0.00 0.00 0.00 44.72 45.71 1ot6 s GLY 29 CO 0.02 1.26 0.09 0.00 0.00 0.00 0.00 173.10 174.47 1ot6 s ALA 30 N -1.54 0.01 -0.05 3.20 0.00 -1.26 -0.98 121.76 121.13 1ot6 s ALA 30 Ca 0.56 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1ot6 s ALA 30 Cb -0.25 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1ot6 s ALA 30 CO 0.32 -0.34 -0.25 0.42 0.00 0.00 0.00 175.76 175.92 1ot6 s ILE 31 N 1.70 2.02 -0.18 0.00 1.01 0.17 -1.23 121.20 124.70 1ot6 s ILE 31 Ca -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 1ot6 s ILE 31 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1ot6 s ILE 31 CO -0.04 0.56 -0.01 -1.58 0.00 0.00 0.00 174.94 173.87 1ot6 s GLN 32 N -0.19 3.66 0.05 2.79 0.74 -0.60 -1.13 119.66 124.99 1ot6 s GLN 32 Ca -0.03 -0.51 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1ot6 s GLN 32 Cb -0.13 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 1ot6 s GLN 32 CO 0.03 0.12 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.32 1ot6 s LEU 33 N 0.71 3.21 0.98 3.68 1.43 0.89 -0.22 118.68 129.35 1ot6 s LEU 33 Ca -0.01 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1ot6 s LEU 33 Cb -0.14 -1.90 0.19 0.00 0.03 0.00 0.00 46.19 44.37 1ot6 s LEU 33 CO 0.02 0.24 1.26 1.51 0.23 0.00 0.00 176.35 179.60 1ot6 s ASP 34 N -1.79 2.96 0.30 2.29 1.47 -0.18 -0.88 116.67 120.84 1ot6 s ASP 34 Ca 0.20 0.45 0.22 0.00 1.18 0.00 0.00 52.55 54.59 1ot6 s ASP 34 Cb -0.11 -0.62 1.11 0.00 -0.34 0.00 0.00 42.92 42.96 1ot6 s ASP 34 CO 0.11 -2.84 1.66 0.61 0.68 0.00 0.00 175.17 175.39 1ot6 n GLY 35 N -3.13 -0.96 0.40 2.12 0.00 -1.24 -1.21 105.19 101.15 1ot6 n GLY 35 Ca 0.13 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1ot6 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ot6 n ASP 36 N -2.24 1.53 0.00 1.61 8.00 -1.26 -4.93 116.55 119.26 1ot6 n ASP 36 Ca -0.01 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1ot6 n ASP 36 Cb 0.08 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1ot6 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot6 n GLY 37 N 1.35 0.82 3.75 0.44 0.00 -0.35 -4.91 105.19 106.29 1ot6 n GLY 37 Ca 0.12 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ot6 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ot6 s ASN 38 N -2.08 7.59 -0.27 1.61 0.01 -1.26 -0.84 114.94 119.70 1ot6 s ASN 38 Ca 0.00 2.00 -0.29 0.00 -0.71 0.00 0.00 52.86 53.86 1ot6 s ASN 38 Cb 0.00 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1ot6 s ASN 38 CO 0.00 0.11 1.06 -0.63 -1.51 0.00 0.00 177.10 176.13 1ot6 s ILE 39 N -1.17 4.60 -0.16 0.60 1.01 -0.12 -1.01 121.20 124.96 1ot6 s ILE 39 Ca 0.42 1.90 0.05 0.00 0.00 0.00 0.00 60.65 63.02 1ot6 s ILE 39 Cb -0.27 -4.35 -0.23 0.00 0.01 0.00 0.00 42.46 37.62 1ot6 s ILE 39 CO 0.33 -0.30 0.20 0.18 0.00 0.00 0.00 174.94 175.35 1ot6 n LEU 40 N 6.55 1.77 -3.91 2.97 4.77 0.69 -0.48 117.00 129.36 1ot6 n LEU 40 Ca 0.12 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1ot6 n LEU 40 Cb 0.46 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1ot6 n LEU 40 CO 0.55 0.70 -0.23 -1.10 -1.33 0.00 0.00 177.39 175.98 1ot6 s GLN 41 N -2.54 0.46 -0.27 3.23 -0.21 -1.07 -4.91 119.66 114.34 1ot6 s GLN 41 Ca -0.19 -0.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.62 1ot6 s GLN 41 Cb 0.07 0.18 0.15 0.00 1.00 0.00 0.00 33.01 34.42 1ot6 s GLN 41 CO 0.75 -0.10 0.52 -0.47 -2.12 0.00 0.00 175.29 173.87 1ot6 s TYR 42 N -1.66 -1.26 0.65 0.91 6.14 -1.26 -1.55 117.35 119.32 1ot6 s TYR 42 Ca -0.13 1.54 -0.00 0.00 0.64 0.00 0.00 57.07 59.12 1ot6 s TYR 42 Cb -0.07 0.42 0.08 0.00 0.42 0.00 0.00 41.96 42.81 1ot6 s TYR 42 CO -0.00 -0.76 0.90 0.54 0.64 0.00 0.00 175.55 176.87 1ot6 s ASN 43 N 2.75 4.78 0.24 4.32 4.22 -0.36 -4.74 114.94 126.14 1ot6 s ASN 43 Ca 0.12 -0.14 -0.07 0.00 -2.14 0.00 0.00 52.86 50.62 1ot6 s ASN 43 Cb -0.14 -0.47 0.24 0.00 1.28 0.00 0.00 41.25 42.16 1ot6 s ASN 43 CO -0.18 -1.53 1.90 0.00 -2.04 0.00 0.00 177.10 175.24 1ot6 h ALA 44 N -0.28 1.16 -0.38 3.54 0.00 -1.84 -1.95 119.26 119.50 1ot6 h ALA 44 Ca -0.39 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1ot6 h ALA 44 Cb 1.28 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ot6 h ALA 44 CO 0.47 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 180.17 1ot6 h ALA 45 N 1.35 1.20 -0.48 0.00 0.00 -1.83 -1.01 119.26 118.48 1ot6 h ALA 45 Ca 0.34 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1ot6 h ALA 45 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ot6 h ALA 45 CO -0.09 0.52 -0.11 0.37 0.00 0.00 0.00 179.25 179.94 1ot6 h GLN 46 N 0.59 0.91 0.00 0.00 5.75 -1.71 -1.53 115.11 119.12 1ot6 h GLN 46 Ca 0.11 -0.35 -0.08 0.00 -0.15 0.00 0.00 58.65 58.19 1ot6 h GLN 46 Cb 0.45 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1ot6 h GLN 46 CO 0.02 1.00 -0.36 0.78 -2.65 0.00 0.00 178.83 177.62 1ot6 h GLY 47 N 0.76 0.00 1.45 2.39 0.00 -0.77 -0.81 103.07 106.09 1ot6 h GLY 47 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1ot6 h GLY 47 CO 0.05 0.00 -0.04 -0.55 0.00 0.00 0.00 176.54 175.99 1ot6 h ASP 48 N 0.00 0.65 0.01 0.19 3.32 -0.72 0.81 116.42 120.68 1ot6 h ASP 48 Ca -0.00 -0.16 -0.23 0.00 0.02 0.00 0.00 57.03 56.66 1ot6 h ASP 48 Cb 0.72 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.11 1ot6 h ASP 48 CO 0.05 0.75 -0.85 0.40 -1.72 0.00 0.00 179.24 177.86 1ot6 h ILE 49 N 0.63 1.31 0.00 0.35 2.04 -0.38 -3.37 117.51 118.08 1ot6 h ILE 49 Ca 0.12 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1ot6 h ILE 49 Cb 0.46 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1ot6 h ILE 49 CO 0.02 0.66 -1.16 0.35 0.00 0.00 0.00 178.15 178.02 1ot6 n THR 50 N -3.88 0.00 -0.12 -0.27 -2.24 -0.40 -5.00 114.28 102.38 1ot6 n THR 50 Ca -0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1ot6 n THR 50 Cb 0.78 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1ot6 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ot6 n GLY 51 N 1.47 2.03 3.78 3.38 0.00 0.27 -4.99 105.19 111.13 1ot6 n GLY 51 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ot6 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot6 s ARG 52 N -0.25 3.90 -0.43 1.61 3.00 -1.24 -5.00 118.95 120.53 1ot6 s ARG 52 Ca 0.00 1.59 -0.21 0.00 0.00 0.00 0.00 55.73 57.11 1ot6 s ARG 52 Cb 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 34.95 32.59 1ot6 s ARG 52 CO 0.00 -0.39 0.67 0.34 0.00 0.00 0.00 175.30 175.92 1ot6 s ASP 53 N -1.57 6.35 0.27 0.23 3.68 -1.26 -4.43 116.67 119.93 1ot6 s ASP 53 Ca 0.63 -0.26 -0.01 0.00 2.13 0.00 0.00 52.55 55.04 1ot6 s ASP 53 Cb -0.24 -2.33 0.57 0.00 -1.45 0.00 0.00 42.92 39.47 1ot6 s ASP 53 CO 0.29 -0.79 1.73 -0.65 0.13 0.00 0.00 175.17 175.88 1ot6 h PRO 54 N 8.86 0.48 0.00 4.34 0.11 -1.89 -0.92 132.00 142.99 1ot6 h PRO 54 Ca -0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1ot6 h PRO 54 Cb 1.09 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1ot6 h PRO 54 CO 0.90 0.31 -0.12 0.87 -0.21 0.00 0.00 178.00 179.75 1ot6 h LYS 55 N 0.49 0.00 0.00 1.05 6.56 -1.93 -2.47 116.57 120.27 1ot6 h LYS 55 Ca 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.07 1ot6 h LYS 55 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1ot6 h LYS 55 CO -0.43 0.12 -0.15 1.96 -2.06 0.00 0.00 179.45 178.89 1ot6 h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.59 -3.29 115.11 117.58 1ot6 h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ot6 h GLN 56 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1ot6 h GLN 56 CO 0.02 0.00 -1.29 1.33 -0.67 0.00 0.00 178.83 178.22 1ot6 n VAL 57 N -2.71 0.06 -1.90 -0.54 0.24 -0.96 -4.83 118.33 107.68 1ot6 n VAL 57 Ca 0.04 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1ot6 n VAL 57 Cb 0.49 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1ot6 n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ot6 s ILE 58 N -3.21 2.50 0.00 1.34 1.01 -1.01 -1.17 121.20 120.65 1ot6 s ILE 58 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1ot6 s ILE 58 Cb 0.15 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1ot6 s ILE 58 CO 0.86 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.44 1ot6 n GLY 59 N 3.54 1.78 3.91 6.18 0.00 0.37 -4.98 105.19 115.98 1ot6 n GLY 59 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1ot6 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ot6 s LYS 60 N -0.89 3.15 -0.20 1.61 1.02 -0.32 -4.68 119.74 119.44 1ot6 s LYS 60 Ca 0.00 0.15 -0.22 0.00 0.02 0.00 0.00 55.97 55.92 1ot6 s LYS 60 Cb 0.00 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 1ot6 s LYS 60 CO 0.00 -0.57 0.68 1.21 -0.92 0.00 0.00 175.35 175.76 1ot6 s ASN 61 N -4.24 6.74 0.21 2.83 3.84 -1.26 -0.94 114.94 122.12 1ot6 s ASN 61 Ca 0.52 0.91 -0.09 0.00 0.21 0.00 0.00 52.86 54.41 1ot6 s ASN 61 Cb -0.11 -2.38 0.15 0.00 -0.55 0.00 0.00 41.25 38.37 1ot6 s ASN 61 CO 0.46 -0.32 1.82 0.15 -2.79 0.00 0.00 177.10 176.42 1ot6 h PHE 62 N 7.49 1.09 0.00 0.43 3.57 -1.34 -0.62 116.94 127.56 1ot6 h PHE 62 Ca -0.30 -0.04 -0.20 0.00 3.53 0.00 0.00 57.97 60.96 1ot6 h PHE 62 Cb 1.14 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1ot6 h PHE 62 CO 0.72 0.77 -1.32 0.74 -2.23 0.00 0.00 178.31 177.00 1ot6 h PHE 63 N 1.08 0.00 0.15 0.41 0.04 -1.83 0.29 116.94 117.09 1ot6 h PHE 63 Ca 0.27 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.68 1ot6 h PHE 63 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1ot6 h PHE 63 CO 0.01 0.76 -1.86 -0.22 -0.60 0.00 0.00 178.31 176.39 1ot6 h LYS 64 N 0.00 0.33 0.00 1.51 3.64 -1.88 -3.37 116.57 116.80 1ot6 h LYS 64 Ca -0.16 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1ot6 h LYS 64 Cb 1.71 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1ot6 h LYS 64 CO 0.07 1.27 -0.65 -0.25 -2.27 0.00 0.00 179.45 177.62 1ot6 n ASP 65 N -3.56 1.52 0.02 4.20 8.00 -0.29 -4.76 116.55 121.68 1ot6 n ASP 65 Ca -0.28 0.25 -0.21 0.00 0.71 0.00 0.00 54.79 55.25 1ot6 n ASP 65 Cb 1.05 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 41.41 1ot6 n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ot6 h VAL 66 N -0.65 1.09 -2.15 2.53 2.07 -1.38 -3.42 116.25 114.35 1ot6 h VAL 66 Ca 0.00 -2.44 -0.57 0.00 0.82 0.00 0.00 66.70 64.51 1ot6 h VAL 66 Cb 0.65 2.79 -0.41 0.00 -1.52 0.00 0.00 31.29 32.80 1ot6 h VAL 66 CO 0.00 0.72 -0.79 0.00 0.02 0.00 0.00 177.57 177.52 1ot6 n ALA 67 N -2.91 3.63 0.12 1.67 0.00 0.10 -4.92 120.51 118.20 1ot6 n ALA 67 Ca -0.23 -4.29 0.18 0.00 0.00 0.00 0.00 53.44 49.09 1ot6 n ALA 67 Cb 0.91 -0.84 0.75 0.00 0.00 0.00 0.00 19.45 20.27 1ot6 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ot6 h PRO 68 N 3.64 0.00 -0.85 0.00 0.13 -1.76 0.18 132.00 133.34 1ot6 h PRO 68 Ca 0.14 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.36 1ot6 h PRO 68 Cb 0.70 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1ot6 h PRO 68 CO 0.71 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 179.03 1ot6 n THR 70 N -4.51 0.11 -2.67 0.00 -2.24 0.63 -4.39 114.28 101.20 1ot6 n THR 70 Ca 0.14 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1ot6 n THR 70 Cb 0.30 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1ot6 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ot6 s ASP 71 N -1.54 6.77 0.09 3.42 2.15 -0.46 -1.14 116.67 125.95 1ot6 s ASP 71 Ca 0.29 -2.25 -0.24 0.00 0.43 0.00 0.00 52.55 50.78 1ot6 s ASP 71 Cb 0.15 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 1ot6 s ASP 71 CO 0.23 -1.17 0.58 -0.94 -0.17 0.00 0.00 175.17 173.70 1ot6 s SER 72 N 4.11 -0.54 0.57 -0.34 1.04 -1.26 -4.97 113.70 112.31 1ot6 s SER 72 Ca 0.48 0.16 0.27 0.00 0.48 0.00 0.00 55.95 57.34 1ot6 s SER 72 Cb 0.01 0.56 1.67 0.00 0.10 0.00 0.00 66.02 68.35 1ot6 s SER 72 CO 0.00 -0.83 2.21 -0.65 0.98 0.00 0.00 173.24 174.95 1ot6 h PRO 73 N 2.40 0.00 0.00 4.02 0.11 -1.94 -0.95 132.00 135.64 1ot6 h PRO 73 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ot6 h PRO 73 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ot6 h PRO 73 CO 0.40 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.60 1ot6 n GLU 74 N -3.92 0.14 0.00 1.05 4.71 -1.26 -3.03 120.64 118.33 1ot6 n GLU 74 Ca -0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1ot6 n GLU 74 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1ot6 n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ot6 n PHE 75 N -1.42 -0.00 -0.36 -0.32 -0.00 -1.00 -4.76 117.46 109.60 1ot6 n PHE 75 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.62 1ot6 n PHE 75 Cb 0.26 0.16 0.25 0.00 -0.00 0.00 0.00 39.48 40.16 1ot6 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ot6 h TYR 76 N 0.00 1.12 -0.69 -5.13 3.20 -0.66 -1.08 116.97 113.74 1ot6 h TYR 76 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1ot6 h TYR 76 Cb 0.00 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 37.87 1ot6 h TYR 76 CO 0.00 0.41 0.41 0.78 -1.64 0.00 0.00 178.16 178.11 1ot6 h GLY 77 N 0.94 1.00 1.01 1.82 0.00 -1.21 0.61 103.07 107.25 1ot6 h GLY 77 Ca 0.51 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.48 1ot6 h GLY 77 CO -0.29 0.21 0.09 0.50 0.00 0.00 0.00 176.54 177.05 1ot6 h LYS 78 N 0.77 0.92 0.06 4.80 1.57 -1.15 -1.58 116.57 121.96 1ot6 h LYS 78 Ca 0.29 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ot6 h LYS 78 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1ot6 h LYS 78 CO -0.15 0.89 -0.14 0.35 -0.57 0.00 0.00 179.45 179.82 1ot6 h PHE 79 N 0.81 -0.37 0.00 -1.35 3.57 -0.59 -1.56 116.94 117.44 1ot6 h PHE 79 Ca 0.17 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1ot6 h PHE 79 Cb 0.41 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1ot6 h PHE 79 CO 0.03 -0.22 -0.36 1.57 -2.23 0.00 0.00 178.31 177.11 1ot6 h LYS 80 N -0.27 0.00 -0.46 1.11 5.09 -0.81 0.36 116.57 121.59 1ot6 h LYS 80 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.71 1ot6 h LYS 80 Cb 0.30 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.61 1ot6 h LYS 80 CO -0.10 0.36 0.08 1.49 -2.09 0.00 0.00 179.45 179.19 1ot6 h GLU 81 N 0.00 0.76 -0.28 0.07 4.22 -1.09 -0.10 114.58 118.16 1ot6 h GLU 81 Ca -0.00 -0.20 -0.18 0.00 0.08 0.00 0.00 59.36 59.05 1ot6 h GLU 81 Cb 0.85 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ot6 h GLU 81 CO 0.05 0.78 -0.54 0.78 -2.18 0.00 0.00 179.01 177.90 1ot6 h GLY 82 N 0.63 0.92 0.77 1.92 0.00 -0.44 -0.15 103.07 106.72 1ot6 h GLY 82 Ca 0.14 -1.06 0.04 0.00 0.00 0.00 0.00 47.33 46.45 1ot6 h GLY 82 CO 0.01 0.95 0.25 -2.08 0.00 0.00 0.00 176.54 175.67 1ot6 h VAL 83 N 0.64 0.98 -0.78 4.60 2.07 -0.82 0.23 116.25 123.17 1ot6 h VAL 83 Ca 0.02 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1ot6 h VAL 83 Cb 1.14 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1ot6 h VAL 83 CO 0.12 0.09 0.35 0.00 0.02 0.00 0.00 177.57 178.15 1ot6 h ALA 84 N 1.25 1.01 0.00 1.67 0.00 -0.69 -2.38 119.26 120.12 1ot6 h ALA 84 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ot6 h ALA 84 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ot6 h ALA 84 CO -0.14 0.60 -0.03 0.77 0.00 0.00 0.00 179.25 180.45 1ot6 h SER 85 N 1.11 0.00 -0.54 0.00 0.02 -0.62 -3.47 113.55 110.05 1ot6 h SER 85 Ca 0.27 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 1ot6 h SER 85 Cb 0.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1ot6 h SER 85 CO -0.03 0.03 -0.14 0.61 -1.14 0.00 0.00 176.83 176.16 1ot6 n GLY 86 N 1.00 0.61 3.60 -3.77 0.00 0.76 -5.02 105.19 102.36 1ot6 n GLY 86 Ca 0.04 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1ot6 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ot6 s ASN 87 N -2.85 -0.72 -0.29 1.61 2.20 -0.91 -5.03 114.94 108.95 1ot6 s ASN 87 Ca 0.00 1.34 -0.13 0.00 -0.94 0.00 0.00 52.86 53.12 1ot6 s ASN 87 Cb 0.00 1.34 0.11 0.00 -2.00 0.00 0.00 41.25 40.70 1ot6 s ASN 87 CO 0.00 -0.28 0.69 -0.22 -2.94 0.00 0.00 177.10 174.35 1ot6 s LEU 88 N 0.22 -1.02 -0.30 3.54 2.96 -1.26 -4.39 118.68 118.44 1ot6 s LEU 88 Ca -0.01 1.51 0.05 0.00 -0.22 0.00 0.00 54.13 55.45 1ot6 s LEU 88 Cb -0.04 2.32 0.19 0.00 0.50 0.00 0.00 46.19 49.15 1ot6 s LEU 88 CO 0.02 -0.22 0.53 0.21 -1.32 0.00 0.00 176.35 175.57 1ot6 s ASN 89 N 2.21 -0.95 -0.02 3.68 2.47 -1.24 -1.43 114.94 119.65 1ot6 s ASN 89 Ca -0.08 -0.08 -0.08 0.00 0.42 0.00 0.00 52.86 53.04 1ot6 s ASN 89 Cb -0.08 1.72 0.01 0.00 -1.45 0.00 0.00 41.25 41.45 1ot6 s ASN 89 CO -0.19 -0.31 0.18 0.28 -3.72 0.00 0.00 177.10 173.34 1ot6 s THR 90 N 2.66 0.05 -0.03 -5.21 -1.32 -0.25 -5.00 115.64 106.54 1ot6 s THR 90 Ca 0.10 -0.45 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 1ot6 s THR 90 Cb -0.10 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.48 1ot6 s THR 90 CO -0.26 -0.25 -0.09 -0.32 -2.21 0.00 0.00 174.62 171.50 1ot6 s MET 91 N -0.91 0.98 -0.02 7.08 0.00 -1.26 -0.27 119.30 124.90 1ot6 s MET 91 Ca -0.10 -0.29 -0.29 0.00 0.00 0.00 0.00 55.69 55.01 1ot6 s MET 91 Cb -0.05 -0.91 0.08 0.00 0.00 0.00 0.00 34.83 33.94 1ot6 s MET 91 CO 0.02 0.09 0.70 -0.59 0.00 0.00 0.00 175.02 175.23 1ot6 s PHE 92 N 0.28 -0.60 0.47 4.11 -0.71 -0.29 -4.99 117.98 116.24 1ot6 s PHE 92 Ca -0.04 0.91 -0.17 0.00 -1.04 0.00 0.00 56.93 56.58 1ot6 s PHE 92 Cb -0.09 0.45 -0.09 0.00 -1.21 0.00 0.00 43.02 42.07 1ot6 s PHE 92 CO 0.01 -0.63 0.94 -1.21 -1.34 0.00 0.00 175.22 172.98 1ot6 s GLU 93 N -1.73 4.02 0.12 1.99 2.02 -1.26 -0.38 118.70 123.49 1ot6 s GLU 93 Ca -0.07 0.95 -0.23 0.00 0.02 0.00 0.00 54.97 55.64 1ot6 s GLU 93 Cb -0.00 -2.19 0.06 0.00 0.10 0.00 0.00 34.13 32.10 1ot6 s GLU 93 CO 0.04 -0.15 0.57 -0.47 0.02 0.00 0.00 175.26 175.27 1ot6 s TYR 94 N -2.43 -0.48 -0.12 1.61 5.04 -0.32 -4.91 117.35 115.74 1ot6 s TYR 94 Ca 0.59 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.58 1ot6 s TYR 94 Cb -0.10 0.47 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 1ot6 s TYR 94 CO 0.25 -0.78 -0.17 0.99 -1.34 0.00 0.00 175.55 174.50 1ot6 s THR 95 N -3.38 2.69 -0.28 4.34 2.01 -1.26 -0.61 115.64 119.14 1ot6 s THR 95 Ca -0.00 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1ot6 s THR 95 Cb -0.00 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 1ot6 s THR 95 CO -0.10 0.53 0.19 -0.36 -0.69 0.00 0.00 174.62 174.20 1ot6 s PHE 96 N 0.40 3.23 0.00 4.92 0.08 -0.29 -4.90 117.98 121.41 1ot6 s PHE 96 Ca -0.13 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1ot6 s PHE 96 Cb -0.17 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1ot6 s PHE 96 CO 0.06 -0.15 0.71 -0.40 -0.10 0.00 0.00 175.22 175.35 1ot6 n ASP 97 N 5.02 0.00 -4.59 1.36 5.68 -1.26 -1.32 116.55 121.43 1ot6 n ASP 97 Ca -0.14 -1.51 -0.41 0.00 -0.50 0.00 0.00 54.79 52.23 1ot6 n ASP 97 Cb 0.52 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 1ot6 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ot6 s TYR 98 N 0.00 3.21 -1.45 2.11 5.04 -1.26 -4.24 117.35 120.76 1ot6 s TYR 98 Ca 0.00 0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 55.11 1ot6 s TYR 98 Cb 0.00 -2.94 0.03 0.00 0.35 0.00 0.00 41.96 39.40 1ot6 s TYR 98 CO 0.00 -0.46 0.52 1.04 -1.34 0.00 0.00 175.55 175.31 1ot6 n GLN 99 N 5.81 -3.50 -3.55 4.97 1.13 -1.26 -4.92 117.38 116.06 1ot6 n GLN 99 Ca -0.02 0.42 -0.07 0.00 -1.94 0.00 0.00 57.00 55.39 1ot6 n GLN 99 Cb 0.49 -4.71 -0.03 0.00 0.11 0.00 0.00 30.24 26.11 1ot6 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ot6 s MET 100 N -6.58 0.60 0.15 -1.09 0.23 -1.26 -5.11 119.30 106.23 1ot6 s MET 100 Ca 0.15 -0.15 -0.31 0.00 -1.03 0.00 0.00 55.69 54.35 1ot6 s MET 100 Cb -0.08 0.28 -0.11 0.00 -1.53 0.00 0.00 34.83 33.39 1ot6 s MET 100 CO 0.89 -0.25 1.80 0.99 -2.03 0.00 0.00 175.02 176.42 1ot6 s THR 101 N -2.45 2.38 0.16 3.16 2.01 -1.26 -4.73 115.64 114.91 1ot6 s THR 101 Ca 0.05 0.04 -0.34 0.00 0.31 0.00 0.00 61.69 61.75 1ot6 s THR 101 Cb -0.01 -3.02 -0.14 0.00 0.01 0.00 0.00 72.50 69.33 1ot6 s THR 101 CO -0.06 0.00 1.48 -2.65 -0.69 0.00 0.00 174.62 172.71 1ot6 n PRO 102 N 5.18 1.88 -3.78 4.92 -0.02 -1.26 -4.74 135.00 137.18 1ot6 n PRO 102 Ca 0.17 0.68 -0.24 0.00 -2.02 0.00 0.00 63.50 62.09 1ot6 n PRO 102 Cb 0.37 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 1ot6 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ot6 s THR 103 N 0.62 0.44 0.04 3.45 2.01 -0.43 -4.96 115.64 116.82 1ot6 s THR 103 Ca 0.78 -0.01 -0.27 0.00 0.31 0.00 0.00 61.69 62.50 1ot6 s THR 103 Cb -0.74 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1ot6 s THR 103 CO 0.42 0.20 0.86 -0.54 -0.69 0.00 0.00 174.62 174.87 1ot6 s LYS 104 N 1.94 4.56 0.19 4.92 1.02 -1.26 -1.14 119.74 129.97 1ot6 s LYS 104 Ca 0.04 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.27 1ot6 s LYS 104 Cb -0.13 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1ot6 s LYS 104 CO -0.06 0.16 0.06 0.14 -0.92 0.00 0.00 175.35 174.73 1ot6 s VAL 105 N 0.32 0.44 -0.17 3.17 -7.23 0.22 -2.82 120.40 114.31 1ot6 s VAL 105 Ca 0.44 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1ot6 s VAL 105 Cb -0.21 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1ot6 s VAL 105 CO 0.25 -0.27 0.03 -0.75 -0.31 0.00 0.00 175.10 174.06 1ot6 s LYS 106 N -4.01 3.89 -0.10 4.82 2.20 0.23 -1.18 119.74 125.60 1ot6 s LYS 106 Ca 0.30 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.53 1ot6 s LYS 106 Cb 0.07 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1ot6 s LYS 106 CO 0.08 0.27 -0.12 0.08 -0.36 0.00 0.00 175.35 175.29 1ot6 s VAL 107 N 0.36 3.20 -0.20 4.02 1.01 0.49 -1.56 120.40 127.72 1ot6 s VAL 107 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ot6 s VAL 107 Cb -0.13 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1ot6 s VAL 107 CO 0.01 0.55 -0.11 -2.28 0.00 0.00 0.00 175.10 173.27 1ot6 s HIS 108 N -0.05 2.41 -0.12 5.22 2.46 0.51 -1.14 115.29 124.58 1ot6 s HIS 108 Ca -0.02 -1.57 -0.04 0.00 0.47 0.00 0.00 55.06 53.90 1ot6 s HIS 108 Cb -0.14 -1.64 -0.03 0.00 -0.13 0.00 0.00 32.58 30.64 1ot6 s HIS 108 CO 0.04 -0.74 0.02 -1.64 -2.47 0.00 0.00 174.74 169.95 1ot6 s MET 109 N 1.40 3.38 -0.11 2.88 -1.94 0.62 -0.32 119.30 125.22 1ot6 s MET 109 Ca -0.01 -0.39 -0.07 0.00 -1.71 0.00 0.00 55.69 53.51 1ot6 s MET 109 Cb -0.16 -2.94 0.04 0.00 2.01 0.00 0.00 34.83 33.78 1ot6 s MET 109 CO -0.08 0.52 0.27 0.21 -0.01 0.00 0.00 175.02 175.93 1ot6 s LYS 110 N -0.37 0.26 0.24 2.03 2.20 -0.31 -1.09 119.74 122.70 1ot6 s LYS 110 Ca 0.08 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.88 1ot6 s LYS 110 Cb -0.12 -0.02 -0.10 0.00 -1.51 0.00 0.00 37.83 36.08 1ot6 s LYS 110 CO 0.02 -0.12 1.39 0.21 -0.36 0.00 0.00 175.35 176.49 1ot6 s LYS 111 N 0.88 4.31 0.91 4.03 2.20 -0.52 -0.46 119.74 131.09 1ot6 s LYS 111 Ca -0.06 2.22 -0.11 0.00 -0.36 0.00 0.00 55.97 57.67 1ot6 s LYS 111 Cb -0.07 -3.13 0.14 0.00 -1.51 0.00 0.00 37.83 33.26 1ot6 s LYS 111 CO -0.06 -0.35 1.11 0.00 -0.36 0.00 0.00 175.35 175.69 1ot6 s ALA 112 N -0.07 1.40 0.05 3.13 0.00 0.27 -4.83 121.76 121.71 1ot6 s ALA 112 Ca 0.58 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 1ot6 s ALA 112 Cb -0.40 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 1ot6 s ALA 112 CO 0.43 -2.60 1.58 1.25 0.00 0.00 0.00 175.76 176.42 1ot6 h LEU 113 N -1.74 -0.04 -8.91 0.00 5.85 -1.87 -3.45 115.31 105.14 1ot6 h LEU 113 Ca -0.47 -0.14 -0.58 0.00 0.84 0.00 0.00 57.88 57.53 1ot6 h LEU 113 Cb 1.27 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1ot6 h LEU 113 CO 0.48 0.12 1.33 -0.55 -0.34 0.00 0.00 178.44 179.47 1ot6 s SER 114 N -5.30 5.80 1.19 1.25 0.15 -1.26 -5.01 113.70 110.53 1ot6 s SER 114 Ca -0.14 1.48 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1ot6 s SER 114 Cb 0.05 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1ot6 s SER 114 CO 0.66 -1.75 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1ot6 n GLY 115 N 5.48 2.69 2.31 9.45 0.00 -1.26 -4.11 105.19 119.74 1ot6 n GLY 115 Ca 0.25 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1ot6 n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ot6 n ASP 116 N 3.05 1.36 -4.26 1.61 2.03 -1.26 -5.02 116.55 114.06 1ot6 n ASP 116 Ca 0.00 -3.06 -0.15 0.00 0.52 0.00 0.00 54.79 52.10 1ot6 n ASP 116 Cb 0.00 -0.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.68 1ot6 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ot6 s SER 117 N -2.31 1.87 -0.04 1.67 1.04 -1.26 -3.72 113.70 110.95 1ot6 s SER 117 Ca 0.40 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.86 1ot6 s SER 117 Cb 0.29 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1ot6 s SER 117 CO -0.09 -0.30 -0.08 -0.31 0.98 0.00 0.00 173.24 173.45 1ot6 s TYR 118 N -3.16 0.91 0.02 5.02 1.51 -0.05 -0.57 117.35 121.02 1ot6 s TYR 118 Ca 0.16 -0.25 -0.14 0.00 -1.01 0.00 0.00 57.07 55.83 1ot6 s TYR 118 Cb 0.01 -0.70 -0.06 0.00 -0.11 0.00 0.00 41.96 41.11 1ot6 s TYR 118 CO 0.01 -0.15 0.41 -1.58 -1.11 0.00 0.00 175.55 173.14 1ot6 s TRP 119 N 0.48 3.71 -0.26 2.71 0.52 0.39 -0.08 118.94 126.41 1ot6 s TRP 119 Ca -0.07 0.97 0.01 0.00 0.02 0.00 0.00 56.10 57.03 1ot6 s TRP 119 Cb -0.11 -2.28 0.05 0.00 -1.15 0.00 0.00 33.47 29.98 1ot6 s TRP 119 CO 0.01 0.62 -0.08 0.08 0.02 0.00 0.00 176.95 177.60 1ot6 s VAL 120 N -1.13 2.50 -0.07 4.03 1.01 -0.28 -1.17 120.40 125.29 1ot6 s VAL 120 Ca 0.25 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1ot6 s VAL 120 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1ot6 s VAL 120 CO 0.14 0.05 -0.05 -0.36 0.00 0.00 0.00 175.10 174.88 1ot6 s PHE 121 N 1.20 2.99 -0.01 5.22 0.08 0.57 -0.65 117.98 127.37 1ot6 s PHE 121 Ca -0.05 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.07 1ot6 s PHE 121 Cb -0.19 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1ot6 s PHE 121 CO -0.05 0.37 -0.02 0.08 -0.10 0.00 0.00 175.22 175.50 1ot6 s VAL 122 N -0.83 0.23 0.06 -0.44 1.01 -0.15 -0.36 120.40 119.91 1ot6 s VAL 122 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1ot6 s VAL 122 Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1ot6 s VAL 122 CO 0.02 0.10 -0.05 -1.59 0.00 0.00 0.00 175.10 173.58 1ot6 s LYS 123 N 0.34 0.62 0.52 2.72 -2.85 -0.60 -0.43 119.74 120.06 1ot6 s LYS 123 Ca -0.03 -1.10 -0.20 0.00 -1.00 0.00 0.00 55.97 53.63 1ot6 s LYS 123 Cb -0.06 0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.66 1ot6 s LYS 123 CO -0.01 -0.05 1.13 1.03 0.10 0.00 0.00 175.35 177.55 1ot6 s ARG 124 N -3.22 3.47 0.00 1.78 0.52 -1.26 -0.60 118.95 119.64 1ot6 s ARG 124 Ca 0.03 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 1ot6 s ARG 124 Cb 0.02 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1ot6 s ARG 124 CO -0.06 -0.76 0.22 1.33 0.02 0.00 0.00 175.30 176.06