#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qle n GLU 5 N 0.00 -0.39 0.21 1.61 2.13 -1.26 -1.24 120.64 121.70 2qle n GLU 5 Ca 0.00 1.42 0.18 0.00 0.66 0.00 0.00 57.16 59.42 2qle n GLU 5 Cb 0.00 -2.10 0.84 0.00 0.27 0.00 0.00 31.44 30.45 2qle n GLU 5 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2qle h GLU 6 N 0.00 0.00 0.00 5.31 4.39 -2.00 -1.61 114.58 120.67 2qle h GLU 6 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2qle h GLU 6 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2qle h GLU 6 CO -0.89 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.24 2qle n LEU 7 N -3.66 0.00 -0.22 1.33 4.77 -0.38 -3.43 117.00 115.42 2qle n LEU 7 Ca 0.02 0.49 0.02 0.00 -0.03 0.00 0.00 56.01 56.51 2qle n LEU 7 Cb 0.37 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2qle n LEU 7 CO 0.26 -0.23 0.53 0.49 -1.33 0.00 0.00 177.39 177.10 2qle n PHE 8 N -1.49 0.15 0.24 -1.77 3.72 -0.61 -4.69 117.46 113.03 2qle n PHE 8 Ca 0.04 -0.47 0.10 0.00 -0.05 0.00 0.00 57.45 57.07 2qle n PHE 8 Cb 0.17 -0.04 0.59 0.00 -0.94 0.00 0.00 39.48 39.27 2qle n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2qle h THR 9 N 0.72 0.67 -3.46 4.37 1.35 -1.68 -3.36 112.91 111.51 2qle h THR 9 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2qle h THR 9 Cb 0.56 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2qle h THR 9 CO 0.00 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2qle n GLY 10 N -0.40 5.61 3.73 5.82 0.00 -1.26 -4.69 105.19 114.01 2qle n GLY 10 Ca -0.01 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2qle n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qle s VAL 11 N 0.27 3.85 -0.08 1.61 1.01 -1.26 -4.51 120.40 121.28 2qle s VAL 11 Ca 0.00 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.54 2qle s VAL 11 Cb 0.00 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2qle s VAL 11 CO 0.00 0.24 -0.11 -0.69 0.00 0.00 0.00 175.10 174.54 2qle s VAL 12 N -0.04 1.11 0.58 2.92 1.01 0.03 -4.94 120.40 121.07 2qle s VAL 12 Ca 0.51 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 2qle s VAL 12 Cb -0.30 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2qle s VAL 12 CO 0.34 0.36 1.23 -2.84 0.00 0.00 0.00 175.10 174.20 2qle s PRO 13 N 0.96 3.04 0.05 2.72 0.02 -1.26 -0.36 135.00 140.16 2qle s PRO 13 Ca -0.09 1.91 0.05 0.00 0.02 0.00 0.00 61.00 62.88 2qle s PRO 13 Cb -0.15 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.33 2qle s PRO 13 CO 0.00 -1.17 -0.13 0.42 -0.33 0.00 0.00 177.00 175.79 2qle s ILE 14 N -1.52 1.05 0.00 2.83 1.01 0.60 -0.91 121.20 124.26 2qle s ILE 14 Ca 0.76 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2qle s ILE 14 Cb -0.32 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2qle s ILE 14 CO 0.36 -0.08 -0.07 -0.76 0.00 0.00 0.00 174.94 174.40 2qle s LEU 15 N -1.29 2.04 0.03 2.97 1.02 -0.53 -1.13 118.68 121.79 2qle s LEU 15 Ca -0.00 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.01 2qle s LEU 15 Cb -0.08 -0.32 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 2qle s LEU 15 CO 0.01 0.05 -0.09 -0.69 0.02 0.00 0.00 176.35 175.65 2qle s VAL 16 N -0.30 0.68 -0.02 -1.59 1.01 -0.46 -0.18 120.40 119.54 2qle s VAL 16 Ca 0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 2qle s VAL 16 Cb -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2qle s VAL 16 CO -0.00 -0.10 0.03 -1.61 0.00 0.00 0.00 175.10 173.43 2qle s GLU 17 N -0.96 -0.01 -0.00 2.72 0.41 0.03 -1.38 118.70 119.51 2qle s GLU 17 Ca -0.02 0.14 0.01 0.00 -0.41 0.00 0.00 54.97 54.69 2qle s GLU 17 Cb -0.07 -0.15 -0.00 0.00 -1.78 0.00 0.00 34.13 32.13 2qle s GLU 17 CO 0.00 -0.11 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.47 2qle s LEU 18 N 0.70 1.97 -0.07 1.80 0.20 -0.53 0.40 118.68 123.14 2qle s LEU 18 Ca -0.06 -0.05 0.02 0.00 0.69 0.00 0.00 54.13 54.74 2qle s LEU 18 Cb -0.08 -0.14 0.01 0.00 -0.43 0.00 0.00 46.19 45.55 2qle s LEU 18 CO -0.02 0.03 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.13 2qle s ASP 19 N -0.02 1.91 0.19 3.68 1.01 -0.67 -0.68 116.67 122.09 2qle s ASP 19 Ca 0.01 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 52.95 2qle s ASP 19 Cb -0.02 -0.88 -0.05 0.00 1.01 0.00 0.00 42.92 42.99 2qle s ASP 19 CO -0.00 0.03 0.06 -0.83 0.21 0.00 0.00 175.17 174.64 2qle s GLY 20 N 0.73 1.33 -0.18 0.21 0.00 -0.10 -1.75 107.32 107.56 2qle s GLY 20 Ca -0.13 -1.65 -0.06 0.00 0.00 0.00 0.00 44.72 42.88 2qle s GLY 20 CO 0.03 -1.49 0.37 -0.35 0.00 0.00 0.00 173.10 171.67 2qle s ASP 21 N -3.18 -0.04 -0.15 1.64 2.15 -0.46 -0.96 116.67 115.67 2qle s ASP 21 Ca 0.30 0.82 0.00 0.00 0.43 0.00 0.00 52.55 54.10 2qle s ASP 21 Cb 0.07 1.15 0.03 0.00 -0.30 0.00 0.00 42.92 43.87 2qle s ASP 21 CO 0.07 -0.24 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.03 2qle s VAL 22 N 2.55 1.37 -1.74 1.11 1.01 -0.14 0.44 120.40 125.01 2qle s VAL 22 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2qle s VAL 22 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2qle s VAL 22 CO -0.12 0.37 0.00 0.59 0.00 0.00 0.00 175.10 175.94 2qle n ASN 23 N 4.82 -4.34 0.00 3.32 4.13 -0.47 -1.10 115.26 121.62 2qle n ASN 23 Ca -0.15 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.52 2qle n ASN 23 Cb 0.49 -3.93 0.00 0.00 -1.54 0.00 0.00 39.78 34.80 2qle n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qle n GLY 24 N -0.30 2.69 3.66 7.41 0.00 -1.26 -5.06 105.19 112.33 2qle n GLY 24 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2qle n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qle s HIS 25 N -2.55 3.35 0.07 1.61 3.76 -0.26 -5.02 115.29 116.25 2qle s HIS 25 Ca 0.00 1.41 -0.11 0.00 -0.15 0.00 0.00 55.06 56.20 2qle s HIS 25 Cb 0.00 -3.21 -0.06 0.00 1.11 0.00 0.00 32.58 30.42 2qle s HIS 25 CO 0.00 -0.44 0.42 0.15 -0.85 0.00 0.00 174.74 174.02 2qle s LYS 26 N 3.01 3.81 0.20 1.40 -0.14 -1.26 -0.96 119.74 125.79 2qle s LYS 26 Ca 0.42 0.26 -0.17 0.00 -1.36 0.00 0.00 55.97 55.12 2qle s LYS 26 Cb -0.15 -3.04 0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2qle s LYS 26 CO 0.07 0.58 0.52 -0.59 -0.76 0.00 0.00 175.35 175.17 2qle s PHE 27 N -1.34 -0.10 0.02 3.18 -0.71 -0.13 -4.96 117.98 113.94 2qle s PHE 27 Ca 0.31 -0.24 0.02 0.00 -1.04 0.00 0.00 56.93 55.98 2qle s PHE 27 Cb -0.15 0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 2qle s PHE 27 CO 0.17 -0.92 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.94 2qle s SER 28 N -2.88 0.87 -0.01 1.98 0.01 -1.26 -0.92 113.70 111.49 2qle s SER 28 Ca 0.10 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.06 2qle s SER 28 Cb -0.01 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2qle s SER 28 CO -0.03 -0.05 -0.11 -0.69 0.41 0.00 0.00 173.24 172.78 2qle s VAL 29 N -0.73 0.83 0.04 3.43 1.01 0.14 -1.09 120.40 124.03 2qle s VAL 29 Ca -0.03 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2qle s VAL 29 Cb -0.06 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2qle s VAL 29 CO 0.00 0.23 -0.26 -0.55 0.00 0.00 0.00 175.10 174.52 2qle s SER 30 N -0.27 3.14 0.12 3.32 0.15 -0.06 -1.46 113.70 118.64 2qle s SER 30 Ca 0.04 -0.59 -0.09 0.00 0.70 0.00 0.00 55.95 56.02 2qle s SER 30 Cb -0.04 -0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2qle s SER 30 CO -0.00 0.26 0.22 -0.83 1.20 0.00 0.00 173.24 174.09 2qle s GLY 31 N -1.22 0.24 0.20 9.45 0.00 -0.48 0.55 107.32 116.07 2qle s GLY 31 Ca 0.12 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.89 2qle s GLY 31 CO 0.02 -0.82 0.64 -1.83 0.00 0.00 0.00 173.10 171.11 2qle s GLU 32 N -3.90 1.46 0.00 2.90 -1.05 -0.35 -1.36 118.70 116.40 2qle s GLU 32 Ca 0.10 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 2qle s GLU 32 Cb 0.04 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.33 2qle s GLU 32 CO -0.07 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2qle n GLY 33 N -0.41 -0.64 3.29 -3.83 0.00 -0.28 -2.15 105.19 101.18 2qle n GLY 33 Ca -0.12 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2qle n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qle s GLU 34 N -1.24 0.93 0.10 1.61 -1.05 -0.29 -0.29 118.70 118.46 2qle s GLU 34 Ca 0.00 -0.55 0.04 0.00 -0.15 0.00 0.00 54.97 54.31 2qle s GLU 34 Cb 0.00 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 2qle s GLU 34 CO 0.00 -0.32 -0.10 0.20 0.95 0.00 0.00 175.26 175.98 2qle s GLY 35 N -2.31 0.85 -0.40 -3.83 0.00 0.51 -1.94 107.32 100.20 2qle s GLY 35 Ca -0.02 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2qle s GLY 35 CO -0.06 -1.25 0.35 -0.35 0.00 0.00 0.00 173.10 171.79 2qle s ASP 36 N -2.42 1.44 0.57 1.64 -1.08 0.64 -0.79 116.67 116.66 2qle s ASP 36 Ca 0.05 -2.56 0.31 0.00 -0.52 0.00 0.00 52.55 49.83 2qle s ASP 36 Cb -0.03 -0.07 1.44 0.00 -1.46 0.00 0.00 42.92 42.80 2qle s ASP 36 CO 0.00 -0.20 1.83 0.00 0.52 0.00 0.00 175.17 177.32 2qle h ALA 37 N 6.06 2.60 -0.70 3.66 0.00 -1.71 -0.62 119.26 128.54 2qle h ALA 37 Ca 0.18 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.24 2qle h ALA 37 Cb 0.96 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2qle h ALA 37 CO 0.29 -1.05 0.49 1.15 0.00 0.00 0.00 179.25 180.13 2qle h THR 38 N 0.00 0.71 -0.09 0.00 2.02 -1.84 -1.78 112.91 111.93 2qle h THR 38 Ca 0.36 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2qle h THR 38 Cb 1.67 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2qle h THR 38 CO -0.00 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 2qle n TYR 39 N -4.40 0.11 -2.38 3.16 4.02 -0.29 -4.96 117.16 112.42 2qle n TYR 39 Ca 0.14 -0.24 -0.16 0.00 -0.01 0.00 0.00 57.90 57.64 2qle n TYR 39 Cb 0.66 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 39.96 2qle n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qle n GLY 40 N 0.18 -0.26 3.59 2.72 0.00 -0.67 -4.67 105.19 106.09 2qle n GLY 40 Ca 0.05 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2qle n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qle s LYS 41 N -4.87 3.61 -0.01 1.61 2.20 -0.99 -0.30 119.74 121.00 2qle s LYS 41 Ca 0.04 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2qle s LYS 41 Cb -0.02 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 2qle s LYS 41 CO 0.04 0.37 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.73 2qle s LEU 42 N 0.05 2.04 -0.15 5.43 1.43 -0.38 -0.26 118.68 126.85 2qle s LEU 42 Ca 0.02 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2qle s LEU 42 Cb -0.13 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.33 2qle s LEU 42 CO 0.02 0.18 -0.02 -0.89 0.23 0.00 0.00 176.35 175.87 2qle s THR 43 N -0.42 0.78 0.04 5.49 2.01 -0.82 -1.44 115.64 121.29 2qle s THR 43 Ca 0.06 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2qle s THR 43 Cb -0.06 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2qle s THR 43 CO -0.00 0.10 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.22 2qle s LEU 44 N 1.78 2.31 -0.02 4.42 1.43 0.17 -1.13 118.68 127.63 2qle s LEU 44 Ca 0.02 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2qle s LEU 44 Cb -0.15 0.05 0.03 0.00 0.03 0.00 0.00 46.19 46.15 2qle s LEU 44 CO -0.07 -0.35 0.03 -0.75 0.23 0.00 0.00 176.35 175.44 2qle s LYS 45 N -2.12 0.01 -0.02 1.70 2.20 -0.91 0.19 119.74 120.78 2qle s LYS 45 Ca -0.08 0.18 0.08 0.00 -0.36 0.00 0.00 55.97 55.78 2qle s LYS 45 Cb -0.05 -0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 35.96 2qle s LYS 45 CO -0.03 -0.17 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.48 2qle s PHE 46 N 1.09 2.36 -0.04 4.03 0.40 0.92 -1.21 117.98 125.53 2qle s PHE 46 Ca -0.09 -0.42 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 2qle s PHE 46 Cb -0.13 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 2qle s PHE 46 CO -0.03 -0.02 -0.18 0.42 0.70 0.00 0.00 175.22 176.12 2qle s ILE 47 N -0.62 1.45 -0.14 0.64 1.01 0.19 -1.31 121.20 122.42 2qle s ILE 47 Ca 0.10 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 2qle s ILE 47 Cb -0.10 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2qle s ILE 47 CO -0.01 0.42 0.81 0.00 0.00 0.00 0.00 174.94 176.16 2qle n THR 49 N 4.51 0.91 -1.56 0.00 -2.24 -0.25 -4.27 114.28 111.37 2qle n THR 49 Ca 0.03 -0.91 0.06 0.00 -2.27 0.00 0.00 64.05 60.97 2qle n THR 49 Cb 0.49 0.46 0.12 0.00 -2.10 0.00 0.00 70.33 69.30 2qle n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qle n THR 50 N 1.49 1.37 0.00 4.28 -2.24 -1.26 -4.93 114.28 112.99 2qle n THR 50 Ca 0.23 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 2qle n THR 50 Cb 0.57 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2qle n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qle n GLY 51 N -0.84 0.33 3.73 3.38 0.00 -1.26 -4.97 105.19 105.56 2qle n GLY 51 Ca 0.12 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2qle n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qle s LYS 52 N 0.00 2.48 -0.11 1.61 2.36 -1.26 -4.62 119.74 120.19 2qle s LYS 52 Ca 0.00 2.02 -0.19 0.00 -2.55 0.00 0.00 55.97 55.24 2qle s LYS 52 Cb 0.00 -1.84 -0.04 0.00 -1.05 0.00 0.00 37.83 34.90 2qle s LYS 52 CO 0.00 -1.64 0.53 -1.17 1.55 0.00 0.00 175.35 174.61 2qle s LEU 53 N -4.49 4.28 0.00 5.43 2.96 -1.26 -4.91 118.68 120.68 2qle s LEU 53 Ca 0.81 0.89 0.22 0.00 -0.22 0.00 0.00 54.13 55.84 2qle s LEU 53 Cb -0.36 -2.78 1.23 0.00 0.50 0.00 0.00 46.19 44.78 2qle s LEU 53 CO 0.40 -0.03 1.72 -0.81 -1.32 0.00 0.00 176.35 176.31 2qle n PRO 54 N 3.73 0.51 -4.11 0.98 -0.04 -1.26 -4.74 135.00 130.07 2qle n PRO 54 Ca -0.06 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 2qle n PRO 54 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 2qle n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qle s VAL 55 N -2.29 0.38 0.31 0.52 -7.23 -1.26 -4.64 120.40 106.18 2qle s VAL 55 Ca 0.27 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 2qle s VAL 55 Cb 0.15 -1.45 -0.11 0.00 0.56 0.00 0.00 36.38 35.53 2qle s VAL 55 CO 0.30 -0.90 1.50 -2.84 -0.31 0.00 0.00 175.10 172.84 2qle s PRO 56 N -3.63 4.18 0.39 4.82 0.02 -1.26 -4.89 135.00 134.62 2qle s PRO 56 Ca 0.06 2.47 0.14 0.00 0.02 0.00 0.00 61.00 63.70 2qle s PRO 56 Cb 0.05 -3.03 0.99 0.00 0.02 0.00 0.00 34.50 32.53 2qle s PRO 56 CO -0.07 -0.51 1.84 -1.49 -0.33 0.00 0.00 177.00 176.44 2qle h TRP 57 N 4.17 0.67 0.00 6.54 4.06 -1.96 -1.10 115.95 128.32 2qle h TRP 57 Ca -0.48 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.47 2qle h TRP 57 Cb 1.23 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2qle h TRP 57 CO 0.57 0.18 -0.10 -1.35 -3.56 0.00 0.00 178.44 174.18 2qle h PRO 58 N 0.51 0.00 0.00 0.49 0.11 -1.90 -1.70 132.00 129.51 2qle h PRO 58 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2qle h PRO 58 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qle h PRO 58 CO -0.22 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 177.92 2qle n THR 59 N -3.53 0.69 0.45 -1.15 -2.24 -0.42 -3.14 114.28 104.95 2qle n THR 59 Ca -0.02 0.17 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 2qle n THR 59 Cb 0.23 -0.85 0.06 0.00 -2.10 0.00 0.00 70.33 67.68 2qle n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qle n LEU 60 N -1.50 2.14 -0.08 3.22 4.77 -0.64 -4.65 117.00 120.26 2qle n LEU 60 Ca 0.05 -1.10 -0.07 0.00 -0.03 0.00 0.00 56.01 54.86 2qle n LEU 60 Cb 0.22 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2qle n LEU 60 CO 0.18 0.42 0.70 0.58 -1.33 0.00 0.00 177.39 177.93 2qle h VAL 61 N 2.43 0.38 -0.24 4.08 2.07 -1.54 -1.18 116.25 122.24 2qle h VAL 61 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2qle h VAL 61 Cb 0.54 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2qle h VAL 61 CO 0.00 0.00 -0.11 0.71 0.02 0.00 0.00 177.57 178.19 2qle h THR 62 N -0.21 1.21 -0.51 2.57 1.35 -1.83 -2.86 112.91 112.64 2qle h THR 62 Ca 0.16 -0.90 -0.11 0.00 -0.55 0.00 0.00 66.41 65.01 2qle h THR 62 Cb 0.46 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 2qle h THR 62 CO -0.44 0.29 -0.12 0.74 -0.25 0.00 0.00 175.52 175.75 2qle h THR 63 N 0.37 1.27 0.00 6.82 2.02 -1.73 -3.45 112.91 118.22 2qle h THR 63 Ca 0.07 -1.26 -0.33 0.00 0.77 0.00 0.00 66.41 65.66 2qle h THR 63 Cb 0.43 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2qle h THR 63 CO 0.02 0.44 1.90 0.49 0.37 0.00 0.00 175.52 178.74 2qle n PHE 64 N -4.19 1.05 0.00 3.16 3.72 -0.50 -5.02 117.46 115.69 2qle n PHE 64 Ca 0.01 -1.78 0.00 0.00 -0.05 0.00 0.00 57.45 55.62 2qle n PHE 64 Cb 0.40 -1.61 0.00 0.00 -0.94 0.00 0.00 39.48 37.33 2qle n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2qle n VAL 68 N 3.63 0.00 0.30 -4.37 0.24 -1.26 -5.01 118.33 111.86 2qle n VAL 68 Ca 0.43 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.78 2qle n VAL 68 Cb 0.29 0.00 0.21 0.00 -1.47 0.00 0.00 33.84 32.88 2qle n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qle n GLN 69 N 0.00 0.01 0.05 7.34 6.02 -1.26 -1.18 117.38 128.37 2qle n GLN 69 Ca 0.00 0.36 0.08 0.00 -0.01 0.00 0.00 57.00 57.43 2qle n GLN 69 Cb 0.00 -1.53 0.35 0.00 1.02 0.00 0.00 30.24 30.08 2qle n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qle n PHE 71 N -1.78 0.05 -1.92 0.00 3.72 -0.32 -4.68 117.46 112.53 2qle n PHE 71 Ca 0.02 -0.03 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2qle n PHE 71 Cb 0.17 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2qle n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2qle s SER 72 N -1.85 5.28 -0.36 4.37 0.01 -0.77 -4.09 113.70 116.30 2qle s SER 72 Ca 0.38 2.56 -0.23 0.00 1.31 0.00 0.00 55.95 59.97 2qle s SER 72 Cb 0.19 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.82 2qle s SER 72 CO 0.31 -1.54 0.77 -0.60 0.41 0.00 0.00 173.24 172.59 2qle s ARG 73 N -3.07 3.77 -0.33 12.44 3.00 -0.62 -4.75 118.95 129.40 2qle s ARG 73 Ca 0.74 0.32 -0.11 0.00 -1.00 0.00 0.00 55.73 55.68 2qle s ARG 73 Cb -0.35 -3.80 -0.01 0.00 0.00 0.00 0.00 34.95 30.79 2qle s ARG 73 CO 0.40 -0.83 0.19 0.71 0.00 0.00 0.00 175.30 175.78 2qle s TYR 74 N 3.06 3.20 0.77 5.12 1.51 -1.26 -0.06 117.35 129.69 2qle s TYR 74 Ca 0.31 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.76 2qle s TYR 74 Cb -0.13 -2.41 0.05 0.00 -0.11 0.00 0.00 41.96 39.35 2qle s TYR 74 CO 0.16 -0.43 1.14 -0.35 -1.11 0.00 0.00 175.55 174.96 2qle n PRO 75 N 5.03 0.39 -0.33 -1.71 -0.04 -1.26 -4.67 135.00 132.41 2qle n PRO 75 Ca -0.13 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2qle n PRO 75 Cb 0.49 -2.39 0.27 0.00 -0.04 0.00 0.00 33.50 31.83 2qle n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2qle h ASP 76 N -0.55 0.72 0.32 3.54 3.32 -2.01 0.32 116.42 122.09 2qle h ASP 76 Ca -0.47 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2qle h ASP 76 Cb 1.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2qle h ASP 76 CO 0.47 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 2qle n HIS 77 N -4.78 0.00 0.01 4.55 1.44 -1.26 -2.27 115.22 112.91 2qle n HIS 77 Ca 0.20 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.93 2qle n HIS 77 Cb 0.48 -0.34 0.05 0.00 0.12 0.00 0.00 29.99 30.30 2qle n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2qle n MET 78 N -1.34 1.86 -0.40 -1.40 2.81 0.11 -4.73 117.12 114.03 2qle n MET 78 Ca 0.06 -1.40 0.32 0.00 -1.81 0.00 0.00 57.70 54.87 2qle n MET 78 Cb 0.13 -1.10 0.59 0.00 -0.71 0.00 0.00 33.22 32.13 2qle n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2qle h LYS 79 N 0.80 0.17 0.00 0.03 6.56 -1.10 0.13 116.57 123.16 2qle h LYS 79 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2qle h LYS 79 Cb 0.46 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2qle h LYS 79 CO 0.00 0.11 0.00 -2.13 -2.06 0.00 0.00 179.45 175.37 2qle n ARG 80 N -4.78 0.01 -0.19 3.15 3.00 -1.26 -2.13 116.66 114.46 2qle n ARG 80 Ca 0.34 0.41 0.07 0.00 -0.00 0.00 0.00 57.85 58.67 2qle n ARG 80 Cb 1.25 -1.52 0.17 0.00 0.00 0.00 0.00 32.46 32.36 2qle n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qle n HIS 81 N -1.54 0.50 -2.87 -0.14 8.25 0.44 -4.68 115.22 115.17 2qle n HIS 81 Ca 0.01 -0.45 -0.44 0.00 -0.26 0.00 0.00 57.72 56.59 2qle n HIS 81 Cb 0.07 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 2qle n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qle s ASP 82 N -1.01 6.93 0.13 0.41 -1.08 -0.91 -4.58 116.67 116.56 2qle s ASP 82 Ca 0.26 -2.67 -0.18 0.00 -0.52 0.00 0.00 52.55 49.44 2qle s ASP 82 Cb 0.14 -2.43 -0.03 0.00 -1.46 0.00 0.00 42.92 39.13 2qle s ASP 82 CO 0.18 -0.90 1.78 0.15 0.52 0.00 0.00 175.17 176.90 2qle h PHE 83 N 7.65 0.28 -0.28 -5.34 3.57 -1.88 -2.92 116.94 118.03 2qle h PHE 83 Ca 0.30 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.87 2qle h PHE 83 Cb 0.91 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 2qle h PHE 83 CO 1.17 0.17 -0.30 0.74 -2.23 0.00 0.00 178.31 177.85 2qle h PHE 84 N 0.31 -0.84 -0.11 0.41 0.04 -1.89 -1.82 116.94 113.04 2qle h PHE 84 Ca 0.10 0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 2qle h PHE 84 Cb -0.00 0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 2qle h PHE 84 CO -0.08 -0.37 -0.46 0.87 -0.60 0.00 0.00 178.31 177.67 2qle h LYS 85 N -0.30 0.27 0.00 1.51 1.57 -1.83 -3.07 116.57 114.72 2qle h LYS 85 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2qle h LYS 85 Cb 0.52 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2qle h LYS 85 CO -0.44 0.68 -0.07 0.66 -0.57 0.00 0.00 179.45 179.71 2qle h SER 86 N 0.22 0.00 1.02 0.86 4.64 -1.15 -0.80 113.55 118.35 2qle h SER 86 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qle h SER 86 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2qle h SER 86 CO 0.07 0.07 -0.08 0.00 -0.87 0.00 0.00 176.83 176.02 2qle n ALA 87 N -2.31 2.48 -1.90 5.18 0.00 -0.82 -4.65 120.51 118.49 2qle n ALA 87 Ca -0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 2qle n ALA 87 Cb 0.16 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 2qle n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qle s MET 88 N -3.02 3.83 0.16 0.00 1.00 -0.31 -0.15 119.30 120.82 2qle s MET 88 Ca 0.13 0.83 0.25 0.00 0.00 0.00 0.00 55.69 56.90 2qle s MET 88 Cb 0.17 -2.16 0.58 0.00 0.00 0.00 0.00 34.83 33.43 2qle s MET 88 CO 0.57 -0.32 1.55 -0.35 0.00 0.00 0.00 175.02 176.47 2qle n PRO 89 N -1.85 0.28 -0.32 2.03 -0.04 -1.26 -2.97 135.00 130.87 2qle n PRO 89 Ca 0.06 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2qle n PRO 89 Cb 0.54 -1.75 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 2qle n PRO 89 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2qle h GLU 90 N 0.00 0.52 0.00 0.54 9.09 -1.93 -2.87 114.58 119.93 2qle h GLU 90 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2qle h GLU 90 Cb 0.74 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 2qle h GLU 90 CO 0.00 0.35 0.00 0.41 0.05 0.00 0.00 179.01 179.82 2qle n GLY 91 N -1.33 -3.51 3.16 1.06 0.00 0.79 -4.63 105.19 100.74 2qle n GLY 91 Ca 0.22 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 2qle n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qle s TYR 92 N -0.70 0.08 -0.06 1.61 -0.85 0.15 0.25 117.35 117.83 2qle s TYR 92 Ca 0.00 -0.29 -0.13 0.00 -0.52 0.00 0.00 57.07 56.12 2qle s TYR 92 Cb 0.00 -0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 2qle s TYR 92 CO 0.00 -0.40 0.34 0.08 -1.52 0.00 0.00 175.55 174.05 2qle s VAL 93 N -2.41 5.18 -0.15 -3.49 1.01 0.12 -1.16 120.40 119.49 2qle s VAL 93 Ca -0.06 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2qle s VAL 93 Cb -0.02 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2qle s VAL 93 CO -0.03 0.54 -0.14 -1.58 0.00 0.00 0.00 175.10 173.89 2qle s GLN 94 N -0.69 2.25 0.07 2.72 0.74 0.50 -1.02 119.66 124.22 2qle s GLN 94 Ca 0.21 -0.56 0.07 0.00 0.05 0.00 0.00 55.36 55.13 2qle s GLN 94 Cb -0.15 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 2qle s GLN 94 CO 0.10 -0.25 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.18 2qle s GLU 95 N 1.49 1.21 0.12 1.67 2.02 -0.45 -0.93 118.70 123.83 2qle s GLU 95 Ca 0.05 -1.00 -0.05 0.00 0.02 0.00 0.00 54.97 53.99 2qle s GLU 95 Cb -0.13 -1.36 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 2qle s GLU 95 CO -0.10 0.33 0.13 1.03 0.02 0.00 0.00 175.26 176.67 2qle s ARG 96 N -1.46 0.92 -0.08 1.61 0.52 -0.59 -0.70 118.95 119.17 2qle s ARG 96 Ca 0.06 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.05 2qle s ARG 96 Cb -0.09 0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.68 2qle s ARG 96 CO 0.03 -0.28 -0.14 0.99 0.02 0.00 0.00 175.30 175.92 2qle s THR 97 N -3.97 1.30 -0.24 0.02 2.01 -0.26 -0.98 115.64 113.53 2qle s THR 97 Ca 0.16 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 2qle s THR 97 Cb 0.06 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.41 2qle s THR 97 CO -0.03 0.40 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.58 2qle s ILE 98 N 0.77 2.71 -0.28 1.82 1.01 -0.41 -0.50 121.20 126.32 2qle s ILE 98 Ca -0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.36 2qle s ILE 98 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2qle s ILE 98 CO 0.02 0.22 0.16 -0.36 0.00 0.00 0.00 174.94 174.98 2qle s PHE 99 N 1.30 3.18 -0.43 3.97 0.40 0.10 -0.77 117.98 125.73 2qle s PHE 99 Ca -0.00 -0.14 -0.21 0.00 -0.60 0.00 0.00 56.93 55.98 2qle s PHE 99 Cb -0.16 -2.35 0.02 0.00 0.51 0.00 0.00 43.02 41.03 2qle s PHE 99 CO -0.06 -0.27 0.65 -0.06 0.70 0.00 0.00 175.22 176.19 2qle s PHE 100 N 1.70 3.07 -0.25 0.36 0.40 -0.62 -0.69 117.98 121.95 2qle s PHE 100 Ca 0.06 0.02 -0.43 0.00 -0.60 0.00 0.00 56.93 55.99 2qle s PHE 100 Cb -0.16 -3.35 -0.19 0.00 0.51 0.00 0.00 43.02 39.83 2qle s PHE 100 CO 0.09 -0.85 1.45 0.36 0.70 0.00 0.00 175.22 176.97 2qle n LYS 101 N 6.27 0.35 -1.80 0.44 0.00 -0.85 0.93 118.16 123.51 2qle n LYS 101 Ca -0.01 0.13 -0.16 0.00 -0.00 0.00 0.00 58.31 58.27 2qle n LYS 101 Cb 0.48 -1.68 -0.04 0.00 -0.00 0.00 0.00 35.03 33.79 2qle n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qle n ASP 102 N 3.40 -4.84 -0.93 -5.58 8.00 -1.26 -4.83 116.55 110.51 2qle n ASP 102 Ca 0.26 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2qle n ASP 102 Cb 0.04 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 2qle n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qle n ASP 103 N -0.75 0.00 -3.08 -2.24 -0.08 0.26 -4.97 116.55 105.70 2qle n ASP 103 Ca -0.17 -0.93 -0.14 0.00 -1.51 0.00 0.00 54.79 52.04 2qle n ASP 103 Cb 0.57 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.16 2qle n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qle n GLY 104 N 0.00 -3.56 3.02 0.27 0.00 -1.19 -4.42 105.19 99.32 2qle n GLY 104 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 2qle n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qle s ASN 105 N -2.60 0.40 0.11 1.61 2.20 -0.67 -1.59 114.94 114.40 2qle s ASN 105 Ca 0.32 -0.64 0.03 0.00 -0.94 0.00 0.00 52.86 51.63 2qle s ASN 105 Cb -0.05 0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.28 2qle s ASN 105 CO 0.26 -0.36 0.16 -0.31 -2.94 0.00 0.00 177.10 173.91 2qle s TYR 106 N -2.09 3.32 -0.04 1.54 2.02 0.05 -1.44 117.35 120.71 2qle s TYR 106 Ca -0.09 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2qle s TYR 106 Cb -0.05 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2qle s TYR 106 CO -0.03 0.54 -0.08 0.15 -1.57 0.00 0.00 175.55 174.56 2qle s LYS 107 N -2.74 1.05 0.02 -0.62 1.02 0.07 -1.29 119.74 117.26 2qle s LYS 107 Ca 0.32 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.06 2qle s LYS 107 Cb -0.12 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.21 2qle s LYS 107 CO 0.25 0.04 -0.05 0.95 -0.92 0.00 0.00 175.35 175.61 2qle s THR 108 N 0.50 0.36 -0.04 2.17 -4.23 -0.15 -1.14 115.64 113.11 2qle s THR 108 Ca -0.08 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 2qle s THR 108 Cb -0.12 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.34 2qle s THR 108 CO 0.01 -0.21 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.21 2qle s ARG 109 N -0.93 0.96 0.04 3.99 3.52 -0.54 -1.54 118.95 124.44 2qle s ARG 109 Ca -0.06 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 2qle s ARG 109 Cb -0.06 -0.90 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 2qle s ARG 109 CO -0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 175.30 174.55 2qle s ALA 110 N 0.62 0.04 -0.16 6.12 0.00 -0.11 -0.19 121.76 128.09 2qle s ALA 110 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2qle s ALA 110 Cb -0.13 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2qle s ALA 110 CO 0.01 -0.30 -0.16 -1.21 0.00 0.00 0.00 175.76 174.10 2qle s GLU 111 N -2.63 3.20 -0.19 0.00 2.02 -0.10 -0.37 118.70 120.63 2qle s GLU 111 Ca -0.05 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.18 2qle s GLU 111 Cb -0.01 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.61 2qle s GLU 111 CO -0.05 0.00 -0.14 0.08 0.02 0.00 0.00 175.26 175.17 2qle s VAL 112 N 0.84 2.55 0.11 2.63 1.01 -0.31 -1.57 120.40 125.67 2qle s VAL 112 Ca -0.05 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2qle s VAL 112 Cb -0.15 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.20 2qle s VAL 112 CO -0.01 0.50 1.06 -1.59 0.00 0.00 0.00 175.10 175.06 2qle s LYS 113 N 1.33 1.00 0.29 2.72 -2.85 -0.95 -0.67 119.74 120.60 2qle s LYS 113 Ca 0.05 -0.56 -0.16 0.00 -1.00 0.00 0.00 55.97 54.30 2qle s LYS 113 Cb -0.14 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 35.88 2qle s LYS 113 CO -0.09 -0.46 0.72 -0.06 0.10 0.00 0.00 175.35 175.56 2qle s PHE 114 N -2.95 3.44 -0.30 1.78 0.08 -1.09 -0.59 117.98 118.36 2qle s PHE 114 Ca 0.14 1.23 -0.03 0.00 0.12 0.00 0.00 56.93 58.38 2qle s PHE 114 Cb 0.00 -2.53 0.10 0.00 -0.57 0.00 0.00 43.02 40.02 2qle s PHE 114 CO 0.01 0.16 0.13 -1.21 -0.10 0.00 0.00 175.22 174.21 2qle s GLU 115 N -2.74 0.34 4.96 0.44 2.02 0.07 -4.89 118.70 118.90 2qle s GLU 115 Ca 0.51 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.79 2qle s GLU 115 Cb -0.12 -1.38 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2qle s GLU 115 CO 0.18 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.85 2qle n GLY 116 N 5.08 0.31 0.39 -1.39 0.00 -1.26 -2.44 105.19 105.88 2qle n GLY 116 Ca -0.04 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.28 2qle n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qle n ASP 117 N 5.45 1.41 -4.78 1.61 3.85 -1.26 -4.96 116.55 117.87 2qle n ASP 117 Ca 0.00 -1.20 -0.38 0.00 -0.71 0.00 0.00 54.79 52.50 2qle n ASP 117 Cb 0.00 0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 39.84 2qle n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2qle s THR 118 N -2.33 5.15 -0.38 2.12 2.01 -1.02 -4.44 115.64 116.75 2qle s THR 118 Ca 0.27 0.78 -0.21 0.00 0.31 0.00 0.00 61.69 62.84 2qle s THR 118 Cb 0.20 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2qle s THR 118 CO 0.46 0.47 0.69 -0.22 -0.69 0.00 0.00 174.62 175.34 2qle s LEU 119 N -0.28 4.25 -0.10 4.42 1.98 -0.09 -0.75 118.68 128.11 2qle s LEU 119 Ca 0.22 0.11 -0.03 0.00 -2.89 0.00 0.00 54.13 51.55 2qle s LEU 119 Cb -0.15 -2.86 -0.03 0.00 0.66 0.00 0.00 46.19 43.81 2qle s LEU 119 CO 0.10 -0.69 0.00 -0.69 -1.89 0.00 0.00 176.35 173.19 2qle s VAL 120 N 2.89 4.33 -0.29 1.68 1.01 0.25 -1.46 120.40 128.80 2qle s VAL 120 Ca 0.27 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2qle s VAL 120 Cb -0.14 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.48 2qle s VAL 120 CO 0.17 0.58 -0.01 0.21 0.00 0.00 0.00 175.10 176.04 2qle s ASN 121 N -0.63 4.37 -0.28 3.32 2.47 0.74 -2.24 114.94 122.70 2qle s ASN 121 Ca 0.10 -1.65 -0.06 0.00 0.42 0.00 0.00 52.86 51.67 2qle s ASN 121 Cb -0.12 -1.41 -0.00 0.00 -1.45 0.00 0.00 41.25 38.28 2qle s ASN 121 CO 0.02 -0.30 0.06 -0.13 -3.72 0.00 0.00 177.10 173.03 2qle s ARG 122 N 1.16 3.23 0.06 0.43 0.52 -0.61 -0.79 118.95 122.95 2qle s ARG 122 Ca 0.01 -0.75 0.08 0.00 -0.52 0.00 0.00 55.73 54.55 2qle s ARG 122 Cb -0.19 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 2qle s ARG 122 CO -0.09 -0.36 -0.23 0.42 0.02 0.00 0.00 175.30 175.07 2qle s ILE 123 N 1.52 2.46 -0.08 1.52 1.01 0.16 -0.92 121.20 126.87 2qle s ILE 123 Ca 0.04 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.38 2qle s ILE 123 Cb -0.16 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 2qle s ILE 123 CO 0.02 0.31 -0.22 -1.61 0.00 0.00 0.00 174.94 173.44 2qle s GLU 124 N -1.45 2.86 -0.02 2.79 8.01 0.73 -1.67 118.70 129.95 2qle s GLU 124 Ca 0.13 -0.85 0.01 0.00 0.01 0.00 0.00 54.97 54.28 2qle s GLU 124 Cb -0.10 -2.30 0.01 0.00 -4.31 0.00 0.00 34.13 27.43 2qle s GLU 124 CO 0.04 0.30 -0.05 -1.17 0.01 0.00 0.00 175.26 174.39 2qle s LEU 125 N 0.06 1.66 -0.05 1.80 0.20 -0.72 -1.47 118.68 120.16 2qle s LEU 125 Ca -0.09 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.65 2qle s LEU 125 Cb -0.15 -0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.25 2qle s LEU 125 CO 0.06 0.01 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.23 2qle s LYS 126 N 0.38 1.69 -0.06 1.98 2.47 -0.29 -1.36 119.74 124.54 2qle s LYS 126 Ca -0.05 -0.49 0.05 0.00 -1.56 0.00 0.00 55.97 53.93 2qle s LYS 126 Cb -0.08 -1.43 -0.01 0.00 -1.46 0.00 0.00 37.83 34.84 2qle s LYS 126 CO -0.00 0.13 -0.23 0.20 0.16 0.00 0.00 175.35 175.61 2qle s GLY 127 N 0.34 1.35 0.15 5.54 0.00 0.17 -0.75 107.32 114.13 2qle s GLY 127 Ca -0.09 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.61 2qle s GLY 127 CO 0.03 -0.65 -0.00 -0.26 0.00 0.00 0.00 173.10 172.22 2qle s ILE 128 N -0.23 0.60 -0.96 0.90 -4.36 -0.52 -1.37 121.20 115.26 2qle s ILE 128 Ca -0.01 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 2qle s ILE 128 Cb -0.13 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.55 2qle s ILE 128 CO 0.03 -0.55 0.00 -0.67 0.24 0.00 0.00 174.94 173.99 2qle n ASP 129 N -0.18 -4.19 -4.75 4.36 -0.08 -1.26 -1.67 116.55 108.77 2qle n ASP 129 Ca -0.07 0.22 -0.40 0.00 -1.51 0.00 0.00 54.79 53.03 2qle n ASP 129 Cb 0.63 -2.48 -0.05 0.00 2.34 0.00 0.00 41.12 41.55 2qle n ASP 129 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2qle s PHE 130 N -2.30 3.77 0.09 -0.67 0.40 -1.26 -3.14 117.98 114.87 2qle s PHE 130 Ca 0.00 1.78 -0.30 0.00 -0.60 0.00 0.00 56.93 57.81 2qle s PHE 130 Cb 0.00 -3.14 -0.06 0.00 0.51 0.00 0.00 43.02 40.33 2qle s PHE 130 CO 0.00 -0.09 1.14 0.15 0.70 0.00 0.00 175.22 177.12 2qle s LYS 131 N -1.01 4.50 0.30 0.44 3.01 -1.26 -4.92 119.74 120.79 2qle s LYS 131 Ca 0.44 1.71 0.05 0.00 -1.01 0.00 0.00 55.97 57.16 2qle s LYS 131 Cb -0.28 -3.34 0.72 0.00 -1.01 0.00 0.00 37.83 33.92 2qle s LYS 131 CO 0.35 -0.13 1.75 1.05 0.51 0.00 0.00 175.35 178.88 2qle h GLU 132 N 6.29 0.63 -0.69 1.68 9.09 -1.97 -1.25 114.58 128.35 2qle h GLU 132 Ca -0.42 -0.04 -0.49 0.00 0.05 0.00 0.00 59.36 58.46 2qle h GLU 132 Cb 1.21 -0.14 -0.34 0.00 -1.65 0.00 0.00 28.75 27.83 2qle h GLU 132 CO 0.78 0.41 -0.45 -0.40 0.05 0.00 0.00 179.01 179.40 2qle n ASP 133 N -4.85 4.87 -2.87 3.06 5.68 -1.26 -4.08 116.55 117.10 2qle n ASP 133 Ca 0.22 -3.77 -0.12 0.00 -0.50 0.00 0.00 54.79 50.62 2qle n ASP 133 Cb 0.59 -0.49 0.08 0.00 -1.14 0.00 0.00 41.12 40.16 2qle n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qle n GLY 134 N -0.82 -0.88 0.20 6.12 0.00 -0.47 -4.74 105.19 104.61 2qle n GLY 134 Ca 0.44 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.78 2qle n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qle h ASN 135 N -0.65 0.00 0.00 1.61 2.35 -1.93 0.30 115.58 117.27 2qle h ASN 135 Ca -0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2qle h ASN 135 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2qle h ASN 135 CO 0.13 0.31 -0.23 0.40 -1.65 0.00 0.00 177.43 176.40 2qle h ILE 136 N 0.00 0.05 0.00 2.81 5.03 -1.92 -0.55 117.51 122.93 2qle h ILE 136 Ca -0.00 -1.05 -0.01 0.00 -0.12 0.00 0.00 64.86 63.68 2qle h ILE 136 Cb 0.76 0.10 -0.00 0.00 -3.03 0.00 0.00 36.82 34.65 2qle h ILE 136 CO 0.04 0.02 -0.06 -0.07 -0.68 0.00 0.00 178.15 177.40 2qle h LEU 137 N -1.00 0.00 0.00 1.44 3.38 -1.75 -1.88 115.31 115.50 2qle h LEU 137 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qle h LEU 137 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qle h LEU 137 CO -0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2qle n GLY 138 N 0.26 -1.33 3.76 0.83 0.00 0.09 -4.89 105.19 103.92 2qle n GLY 138 Ca 0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2qle n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qle n HIS 139 N -1.37 -1.85 -1.04 1.61 8.25 -0.71 -4.90 115.22 115.22 2qle n HIS 139 Ca 0.11 0.82 0.05 0.00 -0.26 0.00 0.00 57.72 58.44 2qle n HIS 139 Cb 0.27 -4.23 0.28 0.00 1.12 0.00 0.00 29.99 27.43 2qle n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qle n LYS 140 N -4.31 3.24 -3.95 -0.41 5.02 -0.23 -4.98 118.16 112.55 2qle n LYS 140 Ca -0.30 -2.97 -0.35 0.00 -2.02 0.00 0.00 58.31 52.66 2qle n LYS 140 Cb 0.68 -1.97 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2qle n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qle s LEU 141 N -2.90 4.27 0.68 -0.35 1.43 -1.25 -1.76 118.68 118.81 2qle s LEU 141 Ca 0.46 0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.80 2qle s LEU 141 Cb 0.38 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2qle s LEU 141 CO 0.10 0.35 1.10 -1.61 0.23 0.00 0.00 176.35 176.51 2qle s GLU 142 N -1.38 2.72 -1.23 1.70 2.02 -0.22 -4.82 118.70 117.49 2qle s GLU 142 Ca 0.20 1.30 -0.11 0.00 0.02 0.00 0.00 54.97 56.38 2qle s GLU 142 Cb -0.12 -1.95 0.18 0.00 0.10 0.00 0.00 34.13 32.34 2qle s GLU 142 CO 0.10 -1.30 1.61 0.98 0.02 0.00 0.00 175.26 176.67 2qle n TYR 143 N -2.68 3.97 -3.81 1.61 9.36 -1.26 -4.84 117.16 119.52 2qle n TYR 143 Ca 0.10 -3.10 -0.09 0.00 3.32 0.00 0.00 57.90 58.13 2qle n TYR 143 Cb 0.52 -2.01 0.03 0.00 -0.63 0.00 0.00 39.34 37.25 2qle n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2qle s ASN 144 N 1.66 0.04 -0.18 2.98 2.20 -1.26 -4.89 114.94 115.48 2qle s ASN 144 Ca 0.40 -1.18 -0.26 0.00 -0.94 0.00 0.00 52.86 50.88 2qle s ASN 144 Cb 0.03 0.86 0.07 0.00 -2.00 0.00 0.00 41.25 40.20 2qle s ASN 144 CO 0.01 -1.70 0.68 -0.47 -2.94 0.00 0.00 177.10 172.67 2qle s TYR 145 N -2.24 -0.71 0.42 1.54 5.04 -1.26 -4.84 117.35 115.29 2qle s TYR 145 Ca 0.16 1.57 0.08 0.00 -2.44 0.00 0.00 57.07 56.44 2qle s TYR 145 Cb -0.05 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.57 2qle s TYR 145 CO 0.12 -0.45 0.54 -0.80 -1.34 0.00 0.00 175.55 173.61 2qle s ASN 146 N -0.22 5.54 0.16 4.32 0.01 -1.26 -4.81 114.94 118.68 2qle s ASN 146 Ca -0.04 -0.49 -0.26 0.00 -0.71 0.00 0.00 52.86 51.37 2qle s ASN 146 Cb -0.03 -0.63 -0.08 0.00 0.41 0.00 0.00 41.25 40.92 2qle s ASN 146 CO 0.04 -0.75 0.79 -0.94 -1.51 0.00 0.00 177.10 174.73 2qle s SER 147 N -4.31 7.39 0.09 -1.22 1.04 -1.26 -4.56 113.70 110.87 2qle s SER 147 Ca 0.54 1.64 0.02 0.00 0.48 0.00 0.00 55.95 58.63 2qle s SER 147 Cb -0.09 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2qle s SER 147 CO 0.32 0.18 -0.07 -1.00 0.98 0.00 0.00 173.24 173.66 2qle s HIS 148 N -1.01 0.88 -0.11 5.02 3.76 -0.91 -5.01 115.29 117.91 2qle s HIS 148 Ca 0.36 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.35 2qle s HIS 148 Cb -0.23 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.92 2qle s HIS 148 CO 0.26 -0.15 0.00 -0.80 -0.85 0.00 0.00 174.74 173.21 2qle s ASN 149 N -2.96 5.21 -0.21 1.40 0.02 -1.26 -0.97 114.94 116.18 2qle s ASN 149 Ca 0.11 0.09 -0.02 0.00 -1.02 0.00 0.00 52.86 52.01 2qle s ASN 149 Cb 0.04 -1.59 0.00 0.00 0.02 0.00 0.00 41.25 39.73 2qle s ASN 149 CO -0.04 0.32 -0.09 -0.69 0.02 0.00 0.00 177.10 176.61 2qle s VAL 150 N -0.51 2.95 -0.14 1.60 1.01 0.17 -4.78 120.40 120.69 2qle s VAL 150 Ca 0.09 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2qle s VAL 150 Cb -0.12 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2qle s VAL 150 CO 0.02 0.45 0.23 -0.31 0.00 0.00 0.00 175.10 175.50 2qle s TYR 151 N 1.42 3.52 -0.02 5.22 2.02 -1.02 -0.79 117.35 127.69 2qle s TYR 151 Ca 0.05 0.56 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 2qle s TYR 151 Cb -0.14 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 2qle s TYR 151 CO -0.06 0.43 -0.21 0.42 -1.57 0.00 0.00 175.55 174.56 2qle s ILE 152 N -0.12 1.65 0.05 2.71 1.01 0.55 -1.53 121.20 125.51 2qle s ILE 152 Ca 0.15 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 2qle s ILE 152 Cb -0.13 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 2qle s ILE 152 CO 0.04 0.47 0.11 0.00 0.00 0.00 0.00 174.94 175.55 2qle s MET 153 N -0.38 0.64 0.52 2.79 0.23 -0.02 -2.43 119.30 120.65 2qle s MET 153 Ca 0.05 -0.83 -0.18 0.00 -1.03 0.00 0.00 55.69 53.70 2qle s MET 153 Cb -0.09 0.25 -0.07 0.00 -1.53 0.00 0.00 34.83 33.39 2qle s MET 153 CO 0.00 -0.17 1.03 0.00 -2.03 0.00 0.00 175.02 173.85 2qle s ALA 154 N -2.97 2.87 -0.51 3.16 0.00 -1.25 -0.46 121.76 122.61 2qle s ALA 154 Ca -0.02 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.44 2qle s ALA 154 Cb 0.01 -3.22 0.16 0.00 0.00 0.00 0.00 23.12 20.07 2qle s ALA 154 CO -0.06 -0.41 0.34 0.34 0.00 0.00 0.00 175.76 175.97 2qle s ASP 155 N -2.38 3.35 0.11 0.00 -1.08 0.13 -4.65 116.67 112.15 2qle s ASP 155 Ca 0.65 -3.11 -0.33 0.00 -0.52 0.00 0.00 52.55 49.24 2qle s ASP 155 Cb -0.15 -1.03 -0.11 0.00 -1.46 0.00 0.00 42.92 40.16 2qle s ASP 155 CO 0.26 -0.19 1.57 0.11 0.52 0.00 0.00 175.17 177.44 2qle h LYS 156 N 6.03 -0.63 -0.72 4.34 6.56 -1.95 -1.65 116.57 128.54 2qle h LYS 156 Ca 0.12 0.04 0.14 0.00 -1.06 0.00 0.00 60.65 59.88 2qle h LYS 156 Cb 0.87 0.14 -0.14 0.00 -0.57 0.00 0.00 32.23 32.54 2qle h LYS 156 CO 0.52 -0.42 -0.27 0.37 -2.06 0.00 0.00 179.45 177.59 2qle h GLN 157 N -0.65 -0.06 -0.33 3.15 5.75 -1.95 0.90 115.11 121.92 2qle h GLN 157 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2qle h GLN 157 Cb 0.71 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2qle h GLN 157 CO -0.33 -0.04 0.00 1.63 -2.65 0.00 0.00 178.83 177.44 2qle n LYS 158 N -5.48 1.50 -3.79 1.69 4.01 -1.15 -4.93 118.16 110.02 2qle n LYS 158 Ca 0.08 -0.64 -0.29 0.00 -0.51 0.00 0.00 58.31 56.95 2qle n LYS 158 Cb 0.38 -1.25 0.01 0.00 -0.51 0.00 0.00 35.03 33.66 2qle n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2qle n ASN 159 N 0.03 -3.63 0.00 4.39 5.15 0.31 -4.79 115.26 116.72 2qle n ASN 159 Ca 0.06 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 53.10 2qle n ASN 159 Cb 0.21 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 2qle n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qle n GLY 160 N -1.66 1.96 3.34 8.20 0.00 -0.68 -4.12 105.19 112.23 2qle n GLY 160 Ca -0.18 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 2qle n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qle s ILE 161 N -1.75 1.19 0.02 -0.61 -4.36 -0.91 0.18 121.20 114.96 2qle s ILE 161 Ca 0.00 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 58.41 2qle s ILE 161 Cb 0.00 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 2qle s ILE 161 CO 0.00 -0.37 -0.24 -0.54 0.24 0.00 0.00 174.94 174.03 2qle s LYS 162 N -3.82 1.77 -0.01 0.37 3.01 0.39 -2.00 119.74 119.45 2qle s LYS 162 Ca 0.27 -0.96 0.02 0.00 -1.01 0.00 0.00 55.97 54.30 2qle s LYS 162 Cb 0.05 -1.83 -0.00 0.00 -1.01 0.00 0.00 37.83 35.04 2qle s LYS 162 CO 0.08 0.48 -0.08 0.08 0.51 0.00 0.00 175.35 176.43 2qle s VAL 163 N -0.69 0.65 -0.08 3.17 1.01 0.67 -0.84 120.40 124.29 2qle s VAL 163 Ca 0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2qle s VAL 163 Cb -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2qle s VAL 163 CO 0.01 0.20 0.25 0.21 0.00 0.00 0.00 175.10 175.76 2qle s ASN 164 N -0.00 -0.22 -0.00 3.32 2.47 -0.58 -1.00 114.94 118.91 2qle s ASN 164 Ca 0.00 0.39 -0.30 0.00 0.42 0.00 0.00 52.86 53.37 2qle s ASN 164 Cb -0.05 0.46 0.11 0.00 -1.45 0.00 0.00 41.25 40.32 2qle s ASN 164 CO -0.00 -0.16 1.21 0.72 -3.72 0.00 0.00 177.10 175.15 2qle s PHE 165 N -0.19 -0.07 -0.09 0.43 -0.71 -1.10 -2.44 117.98 113.80 2qle s PHE 165 Ca -0.03 -0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.79 2qle s PHE 165 Cb -0.03 0.56 0.03 0.00 -1.21 0.00 0.00 43.02 42.37 2qle s PHE 165 CO 0.01 -0.38 -0.01 0.21 -1.34 0.00 0.00 175.22 173.71 2qle s LYS 166 N -2.60 0.79 0.03 1.99 2.20 -1.26 -0.48 119.74 120.40 2qle s LYS 166 Ca 0.13 -0.03 -0.23 0.00 -0.36 0.00 0.00 55.97 55.48 2qle s LYS 166 Cb 0.03 -1.23 -0.05 0.00 -1.51 0.00 0.00 37.83 35.07 2qle s LYS 166 CO -0.03 -0.34 0.71 0.42 -0.36 0.00 0.00 175.35 175.75 2qle s ILE 167 N 1.91 4.79 -0.42 5.43 -1.09 -0.29 -4.88 121.20 126.65 2qle s ILE 167 Ca 0.04 1.50 -0.11 0.00 -2.23 0.00 0.00 60.65 59.86 2qle s ILE 167 Cb -0.13 -4.05 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 2qle s ILE 167 CO -0.06 0.38 0.28 -0.13 -1.23 0.00 0.00 174.94 174.18 2qle s ARG 168 N -0.07 2.74 -0.28 2.79 0.52 -1.26 -0.83 118.95 122.56 2qle s ARG 168 Ca 0.36 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.07 2qle s ARG 168 Cb -0.20 -3.85 -0.03 0.00 0.52 0.00 0.00 34.95 31.39 2qle s ARG 168 CO 0.21 -0.92 0.39 -1.01 0.02 0.00 0.00 175.30 174.00 2qle s HIS 169 N 1.50 3.24 0.17 -0.53 3.76 0.65 -4.50 115.29 119.59 2qle s HIS 169 Ca 0.03 0.40 -0.32 0.00 -0.15 0.00 0.00 55.06 55.03 2qle s HIS 169 Cb -0.22 -2.61 -0.10 0.00 1.11 0.00 0.00 32.58 30.76 2qle s HIS 169 CO 0.04 -0.26 1.59 -0.80 -0.85 0.00 0.00 174.74 174.46 2qle s ASN 170 N 1.64 6.56 0.04 1.40 0.02 -1.26 0.02 114.94 123.36 2qle s ASN 170 Ca 0.16 2.65 -0.00 0.00 -1.02 0.00 0.00 52.86 54.65 2qle s ASN 170 Cb -0.16 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.48 2qle s ASN 170 CO 0.10 -0.84 0.18 -0.63 0.02 0.00 0.00 177.10 175.93 2qle s ILE 171 N 1.14 5.25 0.29 0.60 1.01 0.30 -1.06 121.20 128.73 2qle s ILE 171 Ca 0.71 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2qle s ILE 171 Cb -0.45 -3.53 0.28 0.00 0.01 0.00 0.00 42.46 38.78 2qle s ILE 171 CO 0.31 0.19 1.73 -0.33 0.00 0.00 0.00 174.94 176.85 2qle h GLU 172 N 3.33 0.53 0.00 2.79 5.08 -1.64 0.46 114.58 125.13 2qle h GLU 172 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qle h GLU 172 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2qle h GLU 172 CO 0.72 0.35 0.00 -0.25 -1.00 0.00 0.00 179.01 178.84 2qle n ASP 173 N -4.93 0.00 0.00 1.42 9.92 -1.26 -4.84 116.55 116.86 2qle n ASP 173 Ca 0.21 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 2qle n ASP 173 Cb 0.59 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2qle n ASP 173 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qle n GLY 174 N -0.23 0.41 0.86 0.44 0.00 0.15 -5.10 105.19 101.72 2qle n GLY 174 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2qle n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qle n SER 175 N 0.00 0.18 -4.27 1.61 2.88 -1.24 -4.80 113.62 107.98 2qle n SER 175 Ca 0.00 -1.19 -0.26 0.00 -1.33 0.00 0.00 58.87 56.09 2qle n SER 175 Cb 0.00 -0.18 -0.14 0.00 -0.75 0.00 0.00 64.21 63.14 2qle n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2qle s VAL 176 N -0.98 1.76 -0.22 2.46 1.01 -1.26 -0.54 120.40 122.63 2qle s VAL 176 Ca 0.16 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 2qle s VAL 176 Cb -0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2qle s VAL 176 CO 0.11 0.23 0.02 -1.58 0.00 0.00 0.00 175.10 173.88 2qle s GLN 177 N -1.21 3.63 0.07 2.72 2.00 0.10 -4.89 119.66 122.08 2qle s GLN 177 Ca 0.08 -0.51 -0.11 0.00 -2.00 0.00 0.00 55.36 52.83 2qle s GLN 177 Cb -0.09 -3.16 -0.06 0.00 0.80 0.00 0.00 33.01 30.50 2qle s GLN 177 CO 0.02 -0.06 0.41 -0.51 -0.50 0.00 0.00 175.29 174.65 2qle s LEU 178 N 1.22 4.37 -0.33 3.68 1.43 -1.26 -0.25 118.68 127.53 2qle s LEU 178 Ca 0.04 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 2qle s LEU 178 Cb -0.15 -2.95 0.11 0.00 0.03 0.00 0.00 46.19 43.24 2qle s LEU 178 CO 0.02 0.19 0.15 0.00 0.23 0.00 0.00 176.35 176.94 2qle s ALA 179 N -1.36 1.25 -0.22 4.21 0.00 -0.01 -2.00 121.76 123.63 2qle s ALA 179 Ca 0.32 -1.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 2qle s ALA 179 Cb -0.14 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 2qle s ALA 179 CO 0.17 -1.81 1.17 0.34 0.00 0.00 0.00 175.76 175.64 2qle s ASP 180 N 1.47 6.96 -0.18 0.00 2.15 0.14 -1.13 116.67 126.06 2qle s ASP 180 Ca 0.12 1.44 -0.07 0.00 0.43 0.00 0.00 52.55 54.47 2qle s ASP 180 Cb -0.19 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.85 2qle s ASP 180 CO -0.20 -0.79 0.06 -1.00 -0.17 0.00 0.00 175.17 173.07 2qle s HIS 181 N 3.54 3.25 -0.20 -5.34 3.76 0.36 -0.72 115.29 119.95 2qle s HIS 181 Ca 0.50 0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.48 2qle s HIS 181 Cb -0.18 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.46 2qle s HIS 181 CO 0.13 0.15 -0.17 0.71 -0.85 0.00 0.00 174.74 174.71 2qle s TYR 182 N 0.38 2.87 0.05 1.40 2.02 0.35 -2.73 117.35 121.68 2qle s TYR 182 Ca 0.03 -1.65 0.04 0.00 -0.37 0.00 0.00 57.07 55.12 2qle s TYR 182 Cb -0.12 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2qle s TYR 182 CO 0.00 -0.79 -0.12 -1.14 -1.57 0.00 0.00 175.55 171.93 2qle s GLN 183 N 1.29 0.77 0.00 -0.62 0.74 -0.18 -1.10 119.66 120.57 2qle s GLN 183 Ca 0.03 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.67 2qle s GLN 183 Cb -0.14 -0.73 -0.00 0.00 1.10 0.00 0.00 33.01 33.24 2qle s GLN 183 CO -0.11 0.17 -0.02 1.14 -0.55 0.00 0.00 175.29 175.93 2qle s GLN 184 N -1.36 0.13 -0.04 1.67 1.03 0.13 -0.24 119.66 120.99 2qle s GLN 184 Ca -0.02 -0.11 0.04 0.00 0.04 0.00 0.00 55.36 55.32 2qle s GLN 184 Cb -0.09 -0.09 -0.00 0.00 0.03 0.00 0.00 33.01 32.86 2qle s GLN 184 CO 0.01 0.02 -0.16 -0.80 -2.54 0.00 0.00 175.29 171.83 2qle s ASN 185 N -0.17 1.99 -0.05 12.60 -0.87 -0.85 -1.34 114.94 126.26 2qle s ASN 185 Ca -0.01 -0.32 0.03 0.00 -1.57 0.00 0.00 52.86 50.99 2qle s ASN 185 Cb -0.01 -0.51 0.01 0.00 -0.02 0.00 0.00 41.25 40.71 2qle s ASN 185 CO -0.00 0.15 -0.14 0.42 -2.57 0.00 0.00 177.10 174.96 2qle s THR 186 N 0.01 1.20 0.68 1.60 -4.23 -0.19 -2.14 115.64 112.57 2qle s THR 186 Ca -0.02 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.76 2qle s THR 186 Cb -0.10 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.68 2qle s THR 186 CO 0.02 0.36 1.27 -2.84 -0.54 0.00 0.00 174.62 172.89 2qle s PRO 187 N 0.36 2.36 -0.11 3.99 0.02 -1.26 0.11 135.00 140.46 2qle s PRO 187 Ca -0.09 1.99 -0.09 0.00 0.02 0.00 0.00 61.00 62.83 2qle s PRO 187 Cb -0.13 -1.83 -0.27 0.00 0.02 0.00 0.00 34.50 32.29 2qle s PRO 187 CO 0.03 -1.73 0.42 0.82 -0.33 0.00 0.00 177.00 176.21 2qle h ILE 188 N 0.23 0.71 -4.30 2.83 2.04 -0.47 -3.44 117.51 115.11 2qle h ILE 188 Ca -0.50 -2.36 -0.51 0.00 1.00 0.00 0.00 64.86 62.48 2qle h ILE 188 Cb 1.33 2.55 0.12 0.00 -0.74 0.00 0.00 36.82 40.08 2qle h ILE 188 CO 0.52 0.86 0.33 -0.83 0.00 0.00 0.00 178.15 179.02 2qle s GLY 189 N -5.44 1.75 0.00 5.37 0.00 -1.26 -4.96 107.32 102.78 2qle s GLY 189 Ca -0.22 0.29 0.26 0.00 0.00 0.00 0.00 44.72 45.05 2qle s GLY 189 CO 0.77 0.64 1.48 1.22 0.00 0.00 0.00 173.10 177.21 2qle n ASP 190 N -3.31 2.09 -4.72 1.64 9.92 -1.26 -4.92 116.55 115.99 2qle n ASP 190 Ca 0.09 -1.64 -0.29 0.00 -0.53 0.00 0.00 54.79 52.42 2qle n ASP 190 Cb 0.53 0.06 0.14 0.00 -0.64 0.00 0.00 41.12 41.21 2qle n ASP 190 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2qle s GLY 191 N -2.09 1.60 0.36 0.44 0.00 -1.26 -4.98 107.32 101.38 2qle s GLY 191 Ca 0.31 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.59 2qle s GLY 191 CO 0.36 0.34 1.05 -4.14 0.00 0.00 0.00 173.10 170.71 2qle s PRO 192 N -4.98 4.35 0.31 2.90 0.02 -1.26 -5.05 135.00 131.28 2qle s PRO 192 Ca 0.64 1.57 0.04 0.00 0.02 0.00 0.00 61.00 63.27 2qle s PRO 192 Cb -0.18 -2.76 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 2qle s PRO 192 CO 0.57 0.01 0.04 0.14 -0.33 0.00 0.00 177.00 177.43 2qle s VAL 193 N -1.51 1.20 -0.17 3.83 -7.23 -1.26 -4.91 120.40 110.34 2qle s VAL 193 Ca 0.53 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 58.46 2qle s VAL 193 Cb -0.25 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 2qle s VAL 193 CO 0.31 -0.06 0.70 -0.76 -0.31 0.00 0.00 175.10 174.97 2qle s LEU 194 N -3.46 4.17 -0.29 1.32 1.43 -1.26 -5.03 118.68 115.56 2qle s LEU 194 Ca 0.35 0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.32 2qle s LEU 194 Cb 0.08 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2qle s LEU 194 CO 0.14 -0.29 0.17 -0.76 0.23 0.00 0.00 176.35 175.84 2qle s LEU 195 N 1.86 4.02 0.68 1.79 1.43 -1.26 -4.09 118.68 123.10 2qle s LEU 195 Ca 0.32 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2qle s LEU 195 Cb -0.16 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.03 2qle s LEU 195 CO 0.12 -0.11 1.02 -2.16 0.23 0.00 0.00 176.35 175.44 2qle s PRO 196 N 1.69 2.63 0.43 1.29 0.04 -1.26 -4.96 135.00 134.86 2qle s PRO 196 Ca 0.06 0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.14 2qle s PRO 196 Cb -0.16 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2qle s PRO 196 CO 0.08 -1.02 0.74 -0.51 0.04 0.00 0.00 177.00 176.33 2qle s ASP 197 N -4.40 6.35 0.13 6.66 1.01 -1.26 -3.91 116.67 121.26 2qle s ASP 197 Ca 0.57 0.93 -0.35 0.00 0.71 0.00 0.00 52.55 54.41 2qle s ASP 197 Cb -0.11 -2.24 -0.16 0.00 1.01 0.00 0.00 42.92 41.42 2qle s ASP 197 CO 0.47 -0.47 1.38 0.59 0.21 0.00 0.00 175.17 177.35 2qle n ASN 198 N -1.83 2.05 -1.17 0.27 3.02 -1.26 -4.87 115.26 111.48 2qle n ASN 198 Ca 0.00 1.12 -0.01 0.00 -0.03 0.00 0.00 54.58 55.66 2qle n ASN 198 Cb 0.55 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 2qle n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qle n HIS 199 N 2.54 -1.02 -3.95 3.10 1.44 -1.02 -4.76 115.22 111.55 2qle n HIS 199 Ca 0.17 -0.16 -0.09 0.00 -2.01 0.00 0.00 57.72 55.63 2qle n HIS 199 Cb 0.23 0.08 -0.08 0.00 0.12 0.00 0.00 29.99 30.35 2qle n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2qle s TYR 200 N -7.81 0.37 -0.09 -1.40 -0.85 -0.76 -0.33 117.35 106.48 2qle s TYR 200 Ca 0.02 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 55.80 2qle s TYR 200 Cb -0.00 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 2qle s TYR 200 CO 0.01 -0.62 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.83 2qle s LEU 201 N -2.94 3.11 -0.22 -3.49 1.43 0.03 0.27 118.68 116.87 2qle s LEU 201 Ca 0.13 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2qle s LEU 201 Cb 0.05 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2qle s LEU 201 CO -0.04 0.31 -0.06 -0.55 0.23 0.00 0.00 176.35 176.24 2qle s SER 202 N -0.50 4.17 -0.03 2.29 0.15 0.50 0.43 113.70 120.71 2qle s SER 202 Ca 0.07 -0.53 0.07 0.00 0.70 0.00 0.00 55.95 56.27 2qle s SER 202 Cb -0.12 -1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 2qle s SER 202 CO 0.02 -0.04 -0.25 0.28 1.20 0.00 0.00 173.24 174.45 2qle s THR 203 N 1.43 1.96 -0.09 6.45 -1.32 -0.14 -2.00 115.64 121.93 2qle s THR 203 Ca 0.05 -1.05 0.02 0.00 -1.21 0.00 0.00 61.69 59.50 2qle s THR 203 Cb -0.15 -1.64 0.01 0.00 -1.51 0.00 0.00 72.50 69.22 2qle s THR 203 CO -0.05 0.55 -0.14 -1.10 -2.21 0.00 0.00 174.62 171.67 2qle s GLN 204 N -0.42 2.02 -0.03 7.08 1.11 0.33 -2.14 119.66 127.61 2qle s GLN 204 Ca 0.05 -0.50 0.07 0.00 0.01 0.00 0.00 55.36 54.98 2qle s GLN 204 Cb -0.11 -1.69 -0.02 0.00 -1.01 0.00 0.00 33.01 30.19 2qle s GLN 204 CO 0.01 -0.01 -0.24 0.08 0.01 0.00 0.00 175.29 175.14 2qle s VAL 205 N 0.82 1.89 -0.09 1.09 1.01 -1.26 -0.83 120.40 123.02 2qle s VAL 205 Ca -0.11 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2qle s VAL 205 Cb -0.15 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2qle s VAL 205 CO 0.02 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 2qle s ALA 206 N -0.42 1.86 -0.09 5.51 0.00 0.63 -4.63 121.76 124.62 2qle s ALA 206 Ca 0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2qle s ALA 206 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2qle s ALA 206 CO 0.00 0.18 -0.02 -0.51 0.00 0.00 0.00 175.76 175.41 2qle s LEU 207 N 0.53 3.42 0.00 0.00 1.43 -1.26 -1.64 118.68 121.15 2qle s LEU 207 Ca -0.16 0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2qle s LEU 207 Cb -0.17 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2qle s LEU 207 CO 0.06 0.35 0.04 -1.54 0.23 0.00 0.00 176.35 175.49 2qle n SER 208 N 2.30 -0.10 -4.30 2.29 3.41 -0.33 -4.93 113.62 111.97 2qle n SER 208 Ca -0.18 -1.16 -0.22 0.00 -0.26 0.00 0.00 58.87 57.05 2qle n SER 208 Cb 0.53 0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.56 2qle n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qle s LYS 209 N -2.07 1.18 -0.41 4.33 -0.14 -1.26 -2.17 119.74 119.20 2qle s LYS 209 Ca 0.02 -1.29 -0.17 0.00 -1.36 0.00 0.00 55.97 53.17 2qle s LYS 209 Cb -0.00 -1.28 0.02 0.00 -1.68 0.00 0.00 37.83 34.88 2qle s LYS 209 CO 0.02 0.27 0.44 0.34 -0.76 0.00 0.00 175.35 175.66 2qle s ASP 210 N -2.36 6.20 0.53 2.83 -1.08 -1.26 -4.94 116.67 116.59 2qle s ASP 210 Ca 0.11 -0.57 0.34 0.00 -0.52 0.00 0.00 52.55 51.91 2qle s ASP 210 Cb -0.07 -2.23 1.49 0.00 -1.46 0.00 0.00 42.92 40.65 2qle s ASP 210 CO 0.05 -0.55 1.82 1.55 0.52 0.00 0.00 175.17 178.56 2qle h PRO 211 N 8.69 0.04 -0.22 4.34 0.13 -2.03 0.15 132.00 143.09 2qle h PRO 211 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2qle h PRO 211 Cb 1.11 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qle h PRO 211 CO 0.78 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 2qle n ASN 212 N -4.25 1.98 -4.50 1.44 3.02 -1.26 -4.87 115.26 106.82 2qle n ASN 212 Ca 0.24 -1.79 -0.42 0.00 -0.03 0.00 0.00 54.58 52.58 2qle n ASN 212 Cb 1.14 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 40.08 2qle n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qle s GLU 213 N -1.71 3.23 0.07 3.52 2.56 0.51 -4.92 118.70 121.96 2qle s GLU 213 Ca 0.32 -0.72 0.27 0.00 0.00 0.00 0.00 54.97 54.84 2qle s GLU 213 Cb 0.18 -3.91 0.91 0.00 2.00 0.00 0.00 34.13 33.31 2qle s GLU 213 CO 0.26 -0.70 1.75 0.36 -0.56 0.00 0.00 175.26 176.37 2qle n LYS 214 N 5.38 0.11 -2.42 4.30 2.85 -1.26 -4.79 118.16 122.33 2qle n LYS 214 Ca -0.09 0.07 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 2qle n LYS 214 Cb 0.48 -1.61 0.02 0.00 -0.65 0.00 0.00 35.03 33.27 2qle n LYS 214 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2qle s ARG 215 N -3.05 3.18 0.01 -1.58 0.52 -1.26 -4.99 118.95 111.78 2qle s ARG 215 Ca 0.12 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.17 2qle s ARG 215 Cb 0.16 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.28 2qle s ARG 215 CO 0.59 -0.54 1.61 0.34 0.02 0.00 0.00 175.30 177.32 2qle s ASP 216 N -4.23 6.68 0.25 0.23 -1.08 -1.26 -4.95 116.67 112.31 2qle s ASP 216 Ca 0.52 2.32 -0.19 0.00 -0.52 0.00 0.00 52.55 54.68 2qle s ASP 216 Cb -0.10 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 2qle s ASP 216 CO 0.46 -0.87 0.64 -1.38 0.52 0.00 0.00 175.17 174.54 2qle s HIS 217 N 3.15 -0.08 -0.04 -5.34 -3.43 -1.26 -1.22 115.29 107.06 2qle s HIS 217 Ca 0.72 -0.33 -0.02 0.00 -0.80 0.00 0.00 55.06 54.64 2qle s HIS 217 Cb -0.36 0.55 0.03 0.00 -1.43 0.00 0.00 32.58 31.37 2qle s HIS 217 CO 0.30 -1.12 0.08 1.41 -2.00 0.00 0.00 174.74 173.41 2qle s MET 218 N -3.92 0.03 -0.18 -0.38 1.75 -0.42 -4.94 119.30 111.24 2qle s MET 218 Ca 0.13 0.25 -0.04 0.00 -1.25 0.00 0.00 55.69 54.78 2qle s MET 218 Cb -0.04 -0.18 -0.02 0.00 2.84 0.00 0.00 34.83 37.43 2qle s MET 218 CO 0.05 -0.14 -0.03 0.08 -0.65 0.00 0.00 175.02 174.33 2qle s VAL 219 N 0.96 3.85 -0.07 10.11 1.01 -0.92 -0.06 120.40 135.29 2qle s VAL 219 Ca -0.08 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2qle s VAL 219 Cb -0.10 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2qle s VAL 219 CO -0.04 0.46 -0.17 -0.22 0.00 0.00 0.00 175.10 175.13 2qle s LEU 220 N 0.68 1.87 -0.07 3.92 0.20 0.13 -1.18 118.68 124.22 2qle s LEU 220 Ca -0.02 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.43 2qle s LEU 220 Cb -0.14 -1.04 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 2qle s LEU 220 CO 0.02 0.12 -0.13 -0.76 -0.29 0.00 0.00 176.35 175.31 2qle s LEU 221 N 0.32 1.64 0.03 -0.68 1.43 -0.65 -0.65 118.68 120.11 2qle s LEU 221 Ca -0.11 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2qle s LEU 221 Cb -0.15 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2qle s LEU 221 CO 0.04 0.03 -0.05 -0.70 0.23 0.00 0.00 176.35 175.90 2qle s GLU 222 N 0.75 0.42 -0.04 1.70 2.12 -0.52 -0.27 118.70 122.85 2qle s GLU 222 Ca -0.13 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2qle s GLU 222 Cb -0.16 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.13 2qle s GLU 222 CO 0.03 0.01 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.56 2qle s PHE 223 N -1.35 1.42 -0.14 5.30 0.08 -0.01 -1.25 117.98 122.03 2qle s PHE 223 Ca -0.12 -0.41 -0.09 0.00 0.12 0.00 0.00 56.93 56.43 2qle s PHE 223 Cb -0.10 -0.98 0.05 0.00 -0.57 0.00 0.00 43.02 41.42 2qle s PHE 223 CO -0.00 -0.16 0.34 0.54 -0.10 0.00 0.00 175.22 175.84 2qle s VAL 224 N 0.18 -0.02 0.03 -0.44 0.11 0.59 -0.51 120.40 120.34 2qle s VAL 224 Ca -0.05 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2qle s VAL 224 Cb -0.11 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2qle s VAL 224 CO 0.02 0.03 -0.05 0.42 -3.33 0.00 0.00 175.10 172.19 2qle s THR 225 N 0.99 0.30 0.38 5.04 -4.23 -0.85 -1.58 115.64 115.68 2qle s THR 225 Ca -0.07 -1.05 -0.17 0.00 -1.18 0.00 0.00 61.69 59.23 2qle s THR 225 Cb -0.07 -0.49 -0.09 0.00 1.34 0.00 0.00 72.50 73.18 2qle s THR 225 CO -0.07 -0.49 0.83 0.00 -0.54 0.00 0.00 174.62 174.35 2qle s ALA 226 N -1.61 3.21 0.29 3.99 0.00 0.91 -0.37 121.76 128.17 2qle s ALA 226 Ca -0.12 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2qle s ALA 226 Cb -0.09 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.12 2qle s ALA 226 CO -0.01 0.19 0.53 0.00 0.00 0.00 0.00 175.76 176.48 2qle s ALA 227 N -2.13 -0.16 0.00 0.00 0.00 0.14 -4.61 121.76 115.00 2qle s ALA 227 Ca 0.57 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2qle s ALA 227 Cb -0.10 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2qle s ALA 227 CO 0.18 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2qle n GLY 228 N -0.45 0.94 3.11 0.00 0.00 -1.26 -1.83 105.19 105.70 2qle n GLY 228 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2qle n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qle s ILE 229 N -2.03 1.37 -0.02 -0.61 1.01 -1.26 -4.90 121.20 114.76 2qle s ILE 229 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2qle s ILE 229 Cb 0.00 -1.19 0.04 0.00 0.01 0.00 0.00 42.46 41.32 2qle s ILE 229 CO 0.00 0.40 0.90 0.35 0.00 0.00 0.00 174.94 176.59 2qle n THR 230 N 3.33 0.32 0.20 2.92 -2.24 -1.26 -4.87 114.28 112.68 2qle n THR 230 Ca -0.19 -0.37 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 2qle n THR 230 Cb 0.53 0.51 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 2qle n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50