#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oe0 s LYS 13 N 0.00 2.00 0.41 -2.82 1.02 -1.26 -4.87 119.74 114.22 1oe0 s LYS 13 Ca 0.00 -1.05 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 1oe0 s LYS 13 Cb 0.00 -2.21 -0.10 0.00 -0.52 0.00 0.00 37.83 35.00 1oe0 s LYS 13 CO 0.00 0.51 1.33 0.98 -0.92 0.00 0.00 175.35 177.25 1oe0 n TYR 14 N 1.08 2.37 -1.22 3.18 9.36 -0.61 -1.32 117.16 130.00 1oe0 n TYR 14 Ca -0.15 0.49 -0.08 0.00 3.32 0.00 0.00 57.90 61.48 1oe0 n TYR 14 Cb 0.52 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.78 1oe0 n TYR 14 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1oe0 n ALA 15 N -0.04 -0.12 -1.78 2.98 0.00 -1.26 -1.59 120.51 118.71 1oe0 n ALA 15 Ca 0.05 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 1oe0 n ALA 15 Cb 0.39 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1oe0 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1oe0 s GLU 16 N -2.39 4.15 -1.34 0.00 2.56 -0.43 -2.87 118.70 118.39 1oe0 s GLU 16 Ca 0.00 2.54 -0.00 0.00 0.00 0.00 0.00 54.97 57.51 1oe0 s GLU 16 Cb 0.00 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 33.04 1oe0 s GLU 16 CO 0.00 -0.70 0.62 0.41 -0.56 0.00 0.00 175.26 175.03 1oe0 n GLY 17 N 3.73 -0.27 0.00 -1.50 0.00 -1.26 -4.85 105.19 101.04 1oe0 n GLY 17 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1oe0 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oe0 n THR 18 N -4.31 0.00 -4.42 2.61 -2.24 -1.14 -5.08 114.28 99.70 1oe0 n THR 18 Ca -0.30 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.02 1oe0 n THR 18 Cb 0.68 1.36 -0.11 0.00 -2.10 0.00 0.00 70.33 70.17 1oe0 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1oe0 s GLN 19 N -0.13 3.18 0.00 -0.78 -1.52 -1.26 -4.63 119.66 114.52 1oe0 s GLN 19 Ca 0.00 -0.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.94 1oe0 s GLN 19 Cb 0.00 -2.80 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1oe0 s GLN 19 CO 0.00 0.54 0.00 -0.35 -0.25 0.00 0.00 175.29 175.23 1oe0 n PRO 20 N 2.63 -1.22 -1.95 2.91 -0.04 -1.26 -4.93 135.00 131.15 1oe0 n PRO 20 Ca -0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 1oe0 n PRO 20 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1oe0 n PRO 20 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1oe0 s PHE 21 N -0.99 2.91 -0.09 0.54 5.36 -1.19 -4.83 117.98 119.69 1oe0 s PHE 21 Ca 0.00 0.57 0.04 0.00 -0.96 0.00 0.00 56.93 56.58 1oe0 s PHE 21 Cb 0.00 -3.92 -0.00 0.00 -0.34 0.00 0.00 43.02 38.75 1oe0 s PHE 21 CO 0.00 -3.47 -0.23 0.99 -1.46 0.00 0.00 175.22 171.06 1oe0 s THR 22 N 1.53 2.20 -0.10 0.12 2.01 -1.26 -0.91 115.64 119.24 1oe0 s THR 22 Ca 0.71 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1oe0 s THR 22 Cb -0.42 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1oe0 s THR 22 CO 0.31 0.56 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.00 1oe0 s VAL 23 N 0.19 3.25 -0.14 3.82 1.01 0.14 -1.39 120.40 127.27 1oe0 s VAL 23 Ca -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1oe0 s VAL 23 Cb -0.17 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1oe0 s VAL 23 CO 0.07 0.55 -0.07 -0.76 0.00 0.00 0.00 175.10 174.90 1oe0 s LEU 24 N -0.16 3.08 -0.35 3.92 1.43 0.11 -0.88 118.68 125.83 1oe0 s LEU 24 Ca 0.00 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1oe0 s LEU 24 Cb -0.13 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1oe0 s LEU 24 CO 0.03 0.18 0.26 -0.63 0.23 0.00 0.00 176.35 176.42 1oe0 s ILE 25 N 0.31 5.27 0.27 -0.59 -1.09 0.91 -0.37 121.20 125.92 1oe0 s ILE 25 Ca -0.06 -0.27 0.12 0.00 -2.23 0.00 0.00 60.65 58.21 1oe0 s ILE 25 Cb -0.15 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1oe0 s ILE 25 CO 0.04 -0.07 -0.17 -1.61 -1.23 0.00 0.00 174.94 171.90 1oe0 s GLU 26 N 1.74 1.76 0.00 2.79 0.41 -0.27 -0.84 118.70 124.29 1oe0 s GLU 26 Ca 0.06 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 52.93 1oe0 s GLU 26 Cb -0.18 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1oe0 s GLU 26 CO 0.11 0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 1oe0 n GLY 27 N -0.59 2.86 3.50 -1.39 0.00 -1.26 -0.63 105.19 107.68 1oe0 n GLY 27 Ca -0.06 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1oe0 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1oe0 s ASN 28 N 0.00 1.07 0.26 1.61 3.84 -1.26 -4.81 114.94 115.65 1oe0 s ASN 28 Ca 0.00 1.57 -0.31 0.00 0.21 0.00 0.00 52.86 54.34 1oe0 s ASN 28 Cb 0.00 -2.33 -0.12 0.00 -0.55 0.00 0.00 41.25 38.25 1oe0 s ASN 28 CO 0.00 -4.16 1.61 -0.38 -2.79 0.00 0.00 177.10 171.38 1oe0 n ILE 29 N -4.89 0.74 -1.11 -5.21 5.41 -1.26 -1.39 119.36 111.65 1oe0 n ILE 29 Ca 0.04 -0.19 -0.04 0.00 1.00 0.00 0.00 62.75 63.56 1oe0 n ILE 29 Cb 0.54 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.54 1oe0 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oe0 n GLY 30 N 2.63 0.62 0.04 7.39 0.00 -1.26 -4.74 105.19 109.86 1oe0 n GLY 30 Ca 0.11 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1oe0 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oe0 n SER 31 N 0.10 0.26 -0.01 1.61 3.41 -0.49 -4.62 113.62 113.89 1oe0 n SER 31 Ca -0.04 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1oe0 n SER 31 Cb 0.23 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1oe0 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oe0 n GLY 32 N 0.96 1.74 0.27 5.00 0.00 -1.26 -4.89 105.19 107.01 1oe0 n GLY 32 Ca 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1oe0 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oe0 h LYS 33 N 0.00 0.90 -0.21 1.61 1.57 -1.90 -1.35 116.57 117.18 1oe0 h LYS 33 Ca 0.00 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1oe0 h LYS 33 Cb 0.10 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1oe0 h LYS 33 CO 0.00 0.82 -0.20 1.15 -0.57 0.00 0.00 179.45 180.65 1oe0 h THR 34 N 0.81 1.32 -0.64 -0.16 2.02 -1.97 -2.27 112.91 112.02 1oe0 h THR 34 Ca 0.18 -1.36 0.08 0.00 0.77 0.00 0.00 66.41 66.08 1oe0 h THR 34 Cb 0.31 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 1oe0 h THR 34 CO -0.00 0.42 0.31 0.74 0.37 0.00 0.00 175.52 177.35 1oe0 h THR 35 N 0.19 0.87 -0.68 3.16 2.02 -1.95 -0.56 112.91 115.95 1oe0 h THR 35 Ca 0.03 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1oe0 h THR 35 Cb 0.75 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1oe0 h THR 35 CO 0.05 0.10 0.24 0.22 0.37 0.00 0.00 175.52 176.50 1oe0 h TYR 36 N 0.55 1.05 0.00 3.16 3.20 -1.18 -2.85 116.97 120.90 1oe0 h TYR 36 Ca 0.31 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 1oe0 h TYR 36 Cb 0.30 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1oe0 h TYR 36 CO -0.12 0.83 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.68 1oe0 h LEU 37 N 1.00 0.00 0.00 2.82 3.38 -0.63 -3.03 115.31 118.85 1oe0 h LEU 37 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1oe0 h LEU 37 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1oe0 h LEU 37 CO -0.01 0.48 0.00 0.59 0.09 0.00 0.00 178.44 179.59 1oe0 n ASN 38 N -3.65 0.00 0.21 -0.43 3.02 -0.33 -1.70 115.26 112.37 1oe0 n ASN 38 Ca -0.01 0.43 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 1oe0 n ASN 38 Cb 0.56 -0.45 0.16 0.00 -0.61 0.00 0.00 39.78 39.43 1oe0 n ASN 38 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1oe0 h HIS 39 N 0.00 0.00 -0.21 3.10 3.86 -1.65 -3.02 115.15 117.23 1oe0 h HIS 39 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1oe0 h HIS 39 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1oe0 h HIS 39 CO 0.00 0.03 0.00 1.19 0.86 0.00 0.00 177.93 180.01 1oe0 n PHE 40 N -3.09 0.26 -0.32 2.45 3.01 -0.69 -4.48 117.46 114.60 1oe0 n PHE 40 Ca 0.04 -0.13 0.14 0.00 1.01 0.00 0.00 57.45 58.51 1oe0 n PHE 40 Cb 0.54 0.00 0.33 0.00 -0.01 0.00 0.00 39.48 40.34 1oe0 n PHE 40 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1oe0 h GLU 41 N 3.66 0.43 0.00 -1.08 4.81 -1.60 -0.96 114.58 119.85 1oe0 h GLU 41 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1oe0 h GLU 41 Cb 0.80 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1oe0 h GLU 41 CO 0.00 0.28 0.00 1.57 -0.73 0.00 0.00 179.01 180.13 1oe0 h LYS 42 N 0.44 0.00 -0.67 1.92 2.10 -1.83 -2.66 116.57 115.87 1oe0 h LYS 42 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 1oe0 h LYS 42 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1oe0 h LYS 42 CO -0.52 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.59 1oe0 n TYR 43 N -2.72 1.62 -0.33 0.07 0.53 -0.37 -4.58 117.16 111.38 1oe0 n TYR 43 Ca 0.02 -0.56 0.28 0.00 -1.02 0.00 0.00 57.90 56.62 1oe0 n TYR 43 Cb 0.35 -0.41 0.53 0.00 -1.03 0.00 0.00 39.34 38.77 1oe0 n TYR 43 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1oe0 h LYS 44 N 3.15 0.18 -0.69 -0.72 3.11 -1.49 0.21 116.57 120.31 1oe0 h LYS 44 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1oe0 h LYS 44 Cb 1.64 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 1oe0 h LYS 44 CO 0.38 0.12 0.00 0.09 -2.81 0.00 0.00 179.45 177.23 1oe0 n ASN 45 N -5.11 2.73 0.00 4.20 5.03 -1.26 -3.73 115.26 117.12 1oe0 n ASN 45 Ca 0.34 -2.30 0.00 0.00 0.87 0.00 0.00 54.58 53.49 1oe0 n ASN 45 Cb 1.13 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 39.40 1oe0 n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1oe0 n ASP 46 N 0.32 0.51 -3.95 6.41 8.00 0.61 -5.02 116.55 123.42 1oe0 n ASP 46 Ca 0.12 -0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.38 1oe0 n ASP 46 Cb 0.56 0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.64 1oe0 n ASP 46 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1oe0 s ILE 47 N -0.24 0.78 -0.33 0.53 1.01 -0.50 -3.87 121.20 118.58 1oe0 s ILE 47 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 1oe0 s ILE 47 Cb 0.00 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.74 1oe0 s ILE 47 CO 0.00 0.28 1.08 0.00 0.00 0.00 0.00 174.94 176.30 1oe0 s LEU 49 N 3.72 3.74 -0.44 0.00 1.43 -1.26 -1.51 118.68 124.36 1oe0 s LEU 49 Ca 0.46 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1oe0 s LEU 49 Cb -0.12 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.37 1oe0 s LEU 49 CO 0.17 -0.18 0.25 -0.76 0.23 0.00 0.00 176.35 176.06 1oe0 s LEU 50 N 1.48 5.34 0.41 1.79 1.43 -0.76 -5.03 118.68 123.34 1oe0 s LEU 50 Ca 0.02 -2.09 0.07 0.00 -1.03 0.00 0.00 54.13 51.10 1oe0 s LEU 50 Cb -0.17 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1oe0 s LEU 50 CO 0.01 -0.55 0.01 0.42 0.23 0.00 0.00 176.35 176.47 1oe0 s THR 51 N 1.06 1.97 -1.16 5.49 -4.23 -1.26 -1.49 115.64 116.03 1oe0 s THR 51 Ca 0.09 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 1oe0 s THR 51 Cb -0.23 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1oe0 s THR 51 CO -0.04 0.00 0.68 1.21 -0.54 0.00 0.00 174.62 175.93 1oe0 n GLU 52 N -0.98 -0.44 0.31 3.99 4.07 -1.26 -4.85 120.64 121.49 1oe0 n GLU 52 Ca -0.05 0.18 0.20 0.00 -0.06 0.00 0.00 57.16 57.42 1oe0 n GLU 52 Cb 0.67 -2.51 1.03 0.00 -0.06 0.00 0.00 31.44 30.57 1oe0 n GLU 52 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1oe0 h PRO 53 N -2.30 0.00 -0.73 5.31 0.11 -1.90 -2.90 132.00 129.59 1oe0 h PRO 53 Ca -0.70 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.57 1oe0 h PRO 53 Cb 1.41 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.47 1oe0 h PRO 53 CO 0.50 0.01 0.50 0.28 -0.21 0.00 0.00 178.00 179.08 1oe0 h VAL 54 N 0.00 0.74 -0.67 3.15 2.07 -1.98 -1.30 116.25 118.27 1oe0 h VAL 54 Ca -0.00 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1oe0 h VAL 54 Cb 0.14 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1oe0 h VAL 54 CO 0.00 0.05 0.44 -0.33 0.02 0.00 0.00 177.57 177.75 1oe0 h GLU 55 N 0.26 0.67 -0.35 1.57 4.39 -1.89 -1.00 114.58 118.23 1oe0 h GLU 55 Ca 0.36 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.87 1oe0 h GLU 55 Cb 1.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1oe0 h GLU 55 CO -0.08 0.44 -0.37 0.87 -1.16 0.00 0.00 179.01 178.71 1oe0 h LYS 56 N 0.69 0.81 0.00 2.33 1.57 -1.47 -3.01 116.57 117.49 1oe0 h LYS 56 Ca 0.28 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1oe0 h LYS 56 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1oe0 h LYS 56 CO -0.09 1.04 -0.22 -1.49 -0.57 0.00 0.00 179.45 178.12 1oe0 h TRP 57 N 0.67 0.00 0.00 -1.35 6.55 -1.24 -2.82 115.95 117.77 1oe0 h TRP 57 Ca 0.06 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1oe0 h TRP 57 Cb 0.93 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 1oe0 h TRP 57 CO 0.05 0.22 -0.22 0.54 -1.05 0.00 0.00 178.44 177.99 1oe0 n ARG 58 N -3.42 0.00 -3.31 0.49 1.74 -0.52 -1.82 116.66 109.81 1oe0 n ARG 58 Ca -0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1oe0 n ARG 58 Cb 0.41 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 1oe0 n ARG 58 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1oe0 s ASN 59 N -3.00 0.38 -0.59 0.55 2.47 -1.06 -3.96 114.94 109.72 1oe0 s ASN 59 Ca 0.13 -1.19 -0.08 0.00 0.42 0.00 0.00 52.86 52.14 1oe0 s ASN 59 Cb 0.18 0.99 0.15 0.00 -1.45 0.00 0.00 41.25 41.13 1oe0 s ASN 59 CO 0.60 -0.25 0.46 -0.69 -3.72 0.00 0.00 177.10 173.50 1oe0 s VAL 60 N 1.71 4.27 -1.45 -5.21 1.01 0.16 -4.53 120.40 116.36 1oe0 s VAL 60 Ca 0.15 -2.35 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 1oe0 s VAL 60 Cb -0.12 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1oe0 s VAL 60 CO -0.09 -0.86 0.76 0.59 0.00 0.00 0.00 175.10 175.51 1oe0 n ASN 61 N 4.20 -2.54 0.00 3.32 3.02 -1.26 -0.85 115.26 121.15 1oe0 n ASN 61 Ca 0.02 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1oe0 n ASN 61 Cb 0.41 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 1oe0 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oe0 n GLY 62 N -1.68 3.30 3.76 7.41 0.00 -1.26 -5.04 105.19 111.68 1oe0 n GLY 62 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1oe0 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oe0 s VAL 63 N -2.20 4.85 -0.95 1.61 1.01 -0.03 -4.95 120.40 119.75 1oe0 s VAL 63 Ca 0.00 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.20 1oe0 s VAL 63 Cb 0.00 -3.98 0.24 0.00 0.00 0.00 0.00 36.38 32.64 1oe0 s VAL 63 CO 0.00 0.41 0.93 0.21 0.00 0.00 0.00 175.10 176.65 1oe0 s ASN 64 N -0.20 6.98 0.27 3.32 3.84 -1.25 0.37 114.94 128.26 1oe0 s ASN 64 Ca 0.33 -3.01 -0.04 0.00 0.21 0.00 0.00 52.86 50.35 1oe0 s ASN 64 Cb -0.19 -2.23 0.34 0.00 -0.55 0.00 0.00 41.25 38.63 1oe0 s ASN 64 CO 0.19 -0.50 1.92 -0.07 -2.79 0.00 0.00 177.10 175.86 1oe0 h LEU 65 N 7.55 1.08 -0.46 3.21 3.38 -1.60 -2.04 115.31 126.43 1oe0 h LEU 65 Ca 0.14 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1oe0 h LEU 65 Cb 0.97 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1oe0 h LEU 65 CO 0.88 0.76 0.25 0.25 0.09 0.00 0.00 178.44 180.67 1oe0 h LEU 66 N 1.26 0.38 -0.10 1.67 5.85 -1.83 -0.33 115.31 122.21 1oe0 h LEU 66 Ca 0.38 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1oe0 h LEU 66 Cb -0.05 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1oe0 h LEU 66 CO -0.10 0.27 0.01 -0.08 -0.34 0.00 0.00 178.44 178.19 1oe0 h GLU 67 N 0.50 0.17 -0.99 1.25 4.81 -1.78 -2.65 114.58 115.90 1oe0 h GLU 67 Ca 0.19 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.50 1oe0 h GLU 67 Cb 0.07 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 1oe0 h GLU 67 CO -0.12 0.41 0.63 -0.07 -0.73 0.00 0.00 179.01 179.13 1oe0 h LEU 68 N -0.08 0.89 -0.35 1.64 3.38 -1.10 -1.20 115.31 118.50 1oe0 h LEU 68 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1oe0 h LEU 68 Cb 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1oe0 h LEU 68 CO 0.00 0.47 0.14 -0.03 0.09 0.00 0.00 178.44 179.11 1oe0 h MET 69 N 0.95 0.52 -0.16 1.13 4.05 -0.91 -0.88 114.93 119.62 1oe0 h MET 69 Ca 0.50 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.73 1oe0 h MET 69 Cb 0.53 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1oe0 h MET 69 CO -0.26 0.50 -0.33 1.88 0.23 0.00 0.00 176.91 178.93 1oe0 h TYR 70 N 0.41 0.36 0.07 1.39 0.99 -1.02 -1.93 116.97 117.24 1oe0 h TYR 70 Ca 0.12 -0.08 -0.25 0.00 2.00 0.00 0.00 58.73 60.52 1oe0 h TYR 70 Cb 0.18 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 37.82 1oe0 h TYR 70 CO -0.01 0.61 -1.09 0.87 -0.00 0.00 0.00 178.16 178.54 1oe0 h LYS 71 N 0.27 0.31 -1.67 4.88 1.57 -1.07 -3.41 116.57 117.46 1oe0 h LYS 71 Ca 0.04 -0.43 -0.50 0.00 -1.87 0.00 0.00 60.65 57.89 1oe0 h LYS 71 Cb 0.71 0.14 -0.34 0.00 0.08 0.00 0.00 32.23 32.82 1oe0 h LYS 71 CO 0.05 1.15 -0.98 -3.47 -0.57 0.00 0.00 179.45 175.63 1oe0 n ASP 72 N -3.62 -0.47 -0.20 0.86 2.03 -0.35 -5.01 116.55 109.78 1oe0 n ASP 72 Ca -0.07 -2.77 0.01 0.00 0.52 0.00 0.00 54.79 52.47 1oe0 n ASP 72 Cb 0.93 -0.17 0.11 0.00 -0.72 0.00 0.00 41.12 41.28 1oe0 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1oe0 h PRO 73 N 4.15 0.26 -0.58 -0.67 0.11 -1.54 -0.30 132.00 133.42 1oe0 h PRO 73 Ca 0.05 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.31 1oe0 h PRO 73 Cb 0.91 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1oe0 h PRO 73 CO 0.42 0.17 0.45 0.87 -0.21 0.00 0.00 178.00 179.71 1oe0 h LYS 74 N 0.26 0.00 0.00 1.05 1.79 -1.88 -0.60 116.57 117.20 1oe0 h LYS 74 Ca 0.32 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.52 1oe0 h LYS 74 Cb 0.49 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 1oe0 h LYS 74 CO -0.41 0.00 -2.03 1.17 -1.08 0.00 0.00 179.45 177.10 1oe0 n LYS 75 N -4.20 1.07 -0.00 3.15 4.81 -0.85 -4.75 118.16 117.38 1oe0 n LYS 75 Ca 0.11 0.05 0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1oe0 n LYS 75 Cb 0.69 -1.37 -0.10 0.00 0.02 0.00 0.00 35.03 34.26 1oe0 n LYS 75 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1oe0 n TRP 76 N -2.78 0.00 -0.36 5.64 7.02 -0.18 -4.52 117.44 122.26 1oe0 n TRP 76 Ca -0.28 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.21 1oe0 n TRP 76 Cb 0.92 -0.06 0.16 0.00 -2.42 0.00 0.00 31.31 29.90 1oe0 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1oe0 h ALA 77 N 2.34 1.37 0.29 6.99 0.00 -1.30 -0.99 119.26 127.97 1oe0 h ALA 77 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1oe0 h ALA 77 Cb 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1oe0 h ALA 77 CO 0.00 0.53 -0.14 1.98 0.00 0.00 0.00 179.25 181.62 1oe0 h MET 78 N 1.23 -0.38 -0.51 0.00 1.85 -1.79 -0.42 114.93 114.91 1oe0 h MET 78 Ca 0.40 0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.49 1oe0 h MET 78 Cb 0.03 0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 1oe0 h MET 78 CO -0.13 -0.05 0.24 -1.00 -0.40 0.00 0.00 176.91 175.57 1oe0 h PRO 79 N -0.78 0.72 0.25 0.39 0.13 -1.80 -0.54 132.00 130.36 1oe0 h PRO 79 Ca -0.04 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1oe0 h PRO 79 Cb 0.51 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1oe0 h PRO 79 CO 0.07 0.57 -0.12 0.35 -0.23 0.00 0.00 178.00 178.63 1oe0 h PHE 80 N 0.72 -0.31 -0.22 1.56 3.57 -1.10 -1.30 116.94 119.86 1oe0 h PHE 80 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1oe0 h PHE 80 Cb 0.09 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1oe0 h PHE 80 CO 0.01 -0.16 -0.07 1.96 -2.23 0.00 0.00 178.31 177.82 1oe0 h GLN 81 N -0.37 0.34 -0.34 1.11 1.08 -0.81 0.19 115.11 116.30 1oe0 h GLN 81 Ca -0.03 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 1oe0 h GLN 81 Cb 0.29 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1oe0 h GLN 81 CO 0.06 0.42 -0.08 1.03 -0.95 0.00 0.00 178.83 179.31 1oe0 h SER 82 N 0.33 0.55 0.39 1.46 0.87 -0.85 -0.53 113.55 115.76 1oe0 h SER 82 Ca 0.07 -0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.24 1oe0 h SER 82 Cb 0.33 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1oe0 h SER 82 CO 0.01 0.67 -1.08 0.22 -0.53 0.00 0.00 176.83 176.13 1oe0 h TYR 83 N 0.53 0.64 -0.29 2.24 3.20 -0.25 -2.05 116.97 121.00 1oe0 h TYR 83 Ca 0.10 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1oe0 h TYR 83 Cb 0.46 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1oe0 h TYR 83 CO 0.02 1.24 0.19 0.28 -1.64 0.00 0.00 178.16 178.25 1oe0 h VAL 84 N 0.19 1.08 -0.44 1.81 2.07 -0.71 -0.82 116.25 119.44 1oe0 h VAL 84 Ca -0.11 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1oe0 h VAL 84 Cb 1.75 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1oe0 h VAL 84 CO 0.19 0.08 0.16 0.74 0.02 0.00 0.00 177.57 178.76 1oe0 h THR 85 N 0.39 0.87 0.09 2.57 2.02 -1.08 -1.26 112.91 116.50 1oe0 h THR 85 Ca 0.11 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1oe0 h THR 85 Cb -0.03 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1oe0 h THR 85 CO -0.02 0.06 -0.04 0.25 0.37 0.00 0.00 175.52 176.14 1oe0 h LEU 86 N 0.34 -0.10 -1.37 2.58 5.85 -0.98 -1.27 115.31 120.37 1oe0 h LEU 86 Ca 0.20 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1oe0 h LEU 86 Cb 0.19 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1oe0 h LEU 86 CO -0.20 -0.04 -0.15 0.71 -0.34 0.00 0.00 178.44 178.41 1oe0 h THR 87 N -0.14 1.19 -0.21 1.05 1.35 -0.96 0.32 112.91 115.50 1oe0 h THR 87 Ca -0.01 -0.84 -0.05 0.00 -0.55 0.00 0.00 66.41 64.95 1oe0 h THR 87 Cb 0.11 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1oe0 h THR 87 CO 0.02 0.26 -0.08 0.24 -0.25 0.00 0.00 175.52 175.71 1oe0 h MET 88 N 0.22 0.42 -0.93 4.72 2.86 -1.07 -1.86 114.93 119.30 1oe0 h MET 88 Ca 0.04 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1oe0 h MET 88 Cb 0.41 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1oe0 h MET 88 CO 0.03 0.69 0.61 1.25 1.06 0.00 0.00 176.91 180.55 1oe0 h LEU 89 N 0.14 1.02 -0.82 1.22 5.85 -0.74 0.23 115.31 122.21 1oe0 h LEU 89 Ca 0.05 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1oe0 h LEU 89 Cb 0.55 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1oe0 h LEU 89 CO 0.03 0.71 0.06 1.56 -0.34 0.00 0.00 178.44 180.46 1oe0 h GLN 90 N 1.19 0.95 -0.17 1.25 4.20 -0.71 -1.89 115.11 119.92 1oe0 h GLN 90 Ca 0.36 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 1oe0 h GLN 90 Cb -0.03 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1oe0 h GLN 90 CO -0.10 0.90 -0.44 0.77 -0.67 0.00 0.00 178.83 179.29 1oe0 h SER 91 N 0.89 0.68 -0.98 1.46 0.02 -0.41 -1.20 113.55 114.00 1oe0 h SER 91 Ca 0.18 -0.58 0.05 0.00 -0.84 0.00 0.00 61.79 60.60 1oe0 h SER 91 Cb 0.43 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1oe0 h SER 91 CO 0.01 1.13 0.64 0.45 -1.14 0.00 0.00 176.83 177.93 1oe0 h HIS 92 N 0.25 1.18 -0.28 3.45 3.86 -0.45 -2.63 115.15 120.54 1oe0 h HIS 92 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1oe0 h HIS 92 Cb 1.05 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1oe0 h HIS 92 CO 0.10 0.64 0.00 0.25 0.86 0.00 0.00 177.93 179.78 1oe0 n THR 93 N -4.50 0.35 -1.85 2.45 -2.24 -0.72 -4.68 114.28 103.09 1oe0 n THR 93 Ca 0.14 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1oe0 n THR 93 Cb 0.15 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 1oe0 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oe0 s ALA 94 N -1.65 3.79 0.39 6.98 0.00 -0.46 -4.93 121.76 125.89 1oe0 s ALA 94 Ca 0.36 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.54 1oe0 s ALA 94 Cb 0.21 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1oe0 s ALA 94 CO 0.30 -0.87 1.21 -2.14 0.00 0.00 0.00 175.76 174.26 1oe0 s PRO 95 N 0.45 4.07 -0.04 0.00 0.02 -1.26 -4.99 135.00 133.24 1oe0 s PRO 95 Ca 0.68 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.35 1oe0 s PRO 95 Cb -0.46 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.39 1oe0 s PRO 95 CO 0.38 -0.34 0.72 -0.08 -0.33 0.00 0.00 177.00 177.35 1oe0 s THR 96 N -1.34 0.00 -0.14 0.99 -1.32 -1.26 -5.06 115.64 107.51 1oe0 s THR 96 Ca 0.56 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.02 1oe0 s THR 96 Cb -0.33 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.42 1oe0 s THR 96 CO 0.42 0.00 0.27 0.59 -2.21 0.00 0.00 174.62 173.70 1oe0 n ASN 97 N 0.73 1.90 -4.13 8.08 3.02 -1.26 -4.85 115.26 118.75 1oe0 n ASN 97 Ca -0.17 0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 54.17 1oe0 n ASN 97 Cb 0.58 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1oe0 n ASN 97 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1oe0 n LYS 98 N -3.37 0.01 0.07 3.52 5.02 -1.26 -4.89 118.16 117.25 1oe0 n LYS 98 Ca -0.33 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.09 1oe0 n LYS 98 Cb 1.04 -1.11 0.21 0.00 -0.02 0.00 0.00 35.03 35.15 1oe0 n LYS 98 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oe0 n LYS 99 N 1.72 0.29 -4.36 1.97 5.02 -1.25 -4.70 118.16 116.85 1oe0 n LYS 99 Ca 0.02 0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.24 1oe0 n LYS 99 Cb 0.53 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 1oe0 n LYS 99 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1oe0 s LEU 100 N -4.27 2.04 -0.07 -0.35 2.96 -1.26 -3.15 118.68 114.58 1oe0 s LEU 100 Ca 0.07 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1oe0 s LEU 100 Cb 0.13 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.38 1oe0 s LEU 100 CO 0.70 0.09 -0.07 -0.75 -1.32 0.00 0.00 176.35 175.01 1oe0 s LYS 101 N -0.33 1.21 -0.09 1.98 2.20 -0.08 -0.62 119.74 124.01 1oe0 s LYS 101 Ca 0.03 -0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 1oe0 s LYS 101 Cb -0.04 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.10 1oe0 s LYS 101 CO -0.00 -0.11 -0.18 0.42 -0.36 0.00 0.00 175.35 175.11 1oe0 s ILE 102 N 1.14 1.65 0.06 5.43 1.01 -0.57 0.23 121.20 130.15 1oe0 s ILE 102 Ca -0.07 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.91 1oe0 s ILE 102 Cb -0.14 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1oe0 s ILE 102 CO -0.01 0.47 -0.26 -0.04 0.00 0.00 0.00 174.94 175.10 1oe0 s MET 103 N 0.62 1.66 -0.25 2.79 -1.94 -0.06 -1.82 119.30 120.29 1oe0 s MET 103 Ca -0.14 -1.13 -0.21 0.00 -1.71 0.00 0.00 55.69 52.50 1oe0 s MET 103 Cb -0.16 -1.88 -0.02 0.00 2.01 0.00 0.00 34.83 34.78 1oe0 s MET 103 CO 0.04 0.48 0.66 -2.00 -0.01 0.00 0.00 175.02 174.19 1oe0 s GLU 104 N -1.39 4.13 0.16 2.03 2.12 -0.56 -0.06 118.70 125.14 1oe0 s GLU 104 Ca 0.11 0.61 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1oe0 s GLU 104 Cb -0.10 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1oe0 s GLU 104 CO 0.03 -0.41 0.00 0.54 -0.54 0.00 0.00 175.26 174.87 1oe0 n ARG 105 N 5.70 -1.33 -3.80 4.30 5.12 -0.02 -4.77 116.66 121.86 1oe0 n ARG 105 Ca 0.00 0.90 -0.04 0.00 -1.93 0.00 0.00 57.85 56.79 1oe0 n ARG 105 Cb 0.49 -1.62 -0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1oe0 n ARG 105 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1oe0 s SER 106 N -4.65 -0.11 0.49 0.55 1.04 -1.26 -4.62 113.70 105.14 1oe0 s SER 106 Ca 0.00 -0.54 0.25 0.00 0.48 0.00 0.00 55.95 56.14 1oe0 s SER 106 Cb 0.00 0.51 1.25 0.00 0.10 0.00 0.00 66.02 67.89 1oe0 s SER 106 CO 0.00 -0.98 1.99 -0.29 0.98 0.00 0.00 173.24 174.94 1oe0 h ILE 107 N 2.00 0.66 -0.34 -1.02 2.10 -1.93 -3.05 117.51 115.94 1oe0 h ILE 107 Ca -0.26 -0.74 -0.16 0.00 1.08 0.00 0.00 64.86 64.79 1oe0 h ILE 107 Cb 1.23 1.47 -0.01 0.00 -1.09 0.00 0.00 36.82 38.42 1oe0 h ILE 107 CO 0.30 0.17 -0.41 -0.26 -1.08 0.00 0.00 178.15 176.86 1oe0 h PHE 108 N 0.00 1.02 0.00 2.19 -1.00 -1.99 -2.13 116.94 115.02 1oe0 h PHE 108 Ca -0.00 -0.31 -0.13 0.00 2.81 0.00 0.00 57.97 60.34 1oe0 h PHE 108 Cb 0.45 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1oe0 h PHE 108 CO 0.00 1.11 -0.60 0.66 -1.61 0.00 0.00 178.31 177.87 1oe0 h SER 109 N 0.68 0.00 -0.49 2.17 4.64 -1.94 0.13 113.55 118.74 1oe0 h SER 109 Ca 0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1oe0 h SER 109 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1oe0 h SER 109 CO 0.10 0.60 -0.04 0.00 -0.87 0.00 0.00 176.83 176.61 1oe0 h ALA 110 N 1.40 0.67 0.19 5.18 0.00 -1.42 -1.90 119.26 123.38 1oe0 h ALA 110 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1oe0 h ALA 110 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1oe0 h ALA 110 CO 0.08 0.51 -0.09 -0.09 0.00 0.00 0.00 179.25 179.66 1oe0 h ARG 111 N 0.75 -0.25 0.00 0.00 2.43 -1.19 0.69 114.38 116.82 1oe0 h ARG 111 Ca 0.13 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1oe0 h ARG 111 Cb 0.57 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1oe0 h ARG 111 CO 0.03 -0.14 -0.22 1.88 -1.51 0.00 0.00 179.97 180.01 1oe0 h TYR 112 N -1.06 0.00 0.00 2.20 0.99 -0.86 -2.95 116.97 115.29 1oe0 h TYR 112 Ca -0.03 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 1oe0 h TYR 112 Cb 0.23 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.96 1oe0 h TYR 112 CO 0.01 0.22 -0.64 0.00 -0.00 0.00 0.00 178.16 177.76 1oe0 h PHE 114 N -0.49 0.06 -0.53 0.00 -1.00 -1.45 -1.79 116.94 111.75 1oe0 h PHE 114 Ca -0.04 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1oe0 h PHE 114 Cb 0.58 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 1oe0 h PHE 114 CO -0.19 0.72 0.23 0.28 -1.61 0.00 0.00 178.31 177.74 1oe0 h VAL 115 N -0.61 1.21 -0.49 -0.55 2.07 -0.93 -1.20 116.25 115.74 1oe0 h VAL 115 Ca -0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1oe0 h VAL 115 Cb 0.72 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1oe0 h VAL 115 CO 0.01 0.24 0.32 -0.08 0.02 0.00 0.00 177.57 178.08 1oe0 h GLU 116 N 0.71 0.66 -0.46 1.57 4.57 -1.60 -1.12 114.58 118.90 1oe0 h GLU 116 Ca 0.18 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1oe0 h GLU 116 Cb 0.16 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1oe0 h GLU 116 CO -0.02 0.45 -0.03 -0.97 -1.18 0.00 0.00 179.01 177.26 1oe0 h ASN 117 N 0.66 0.75 0.76 1.04 -1.24 -1.12 -1.86 115.58 114.58 1oe0 h ASN 117 Ca 0.18 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1oe0 h ASN 117 Cb -0.05 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 1oe0 h ASN 117 CO -0.04 0.83 -0.22 0.24 -1.29 0.00 0.00 177.43 176.95 1oe0 h MET 118 N 0.72 0.00 -0.07 6.67 2.86 -0.80 -0.91 114.93 123.40 1oe0 h MET 118 Ca 0.14 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1oe0 h MET 118 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1oe0 h MET 118 CO 0.02 0.22 -0.29 -0.09 1.06 0.00 0.00 176.91 177.84 1oe0 h ARG 119 N 0.00 0.32 -0.85 1.72 2.43 -0.59 -1.03 114.38 116.38 1oe0 h ARG 119 Ca -0.00 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1oe0 h ARG 119 Cb 0.67 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1oe0 h ARG 119 CO 0.03 0.88 0.43 0.00 -1.51 0.00 0.00 179.97 179.81 1oe0 h ARG 120 N -0.17 1.20 -0.23 0.20 3.08 -0.86 -2.66 114.38 114.94 1oe0 h ARG 120 Ca -0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1oe0 h ARG 120 Cb 0.93 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1oe0 h ARG 120 CO 0.06 0.90 0.00 0.27 -1.07 0.00 0.00 179.97 180.13 1oe0 n ASN 121 N -4.32 1.48 0.00 7.04 2.04 -0.39 -4.91 115.26 116.19 1oe0 n ASN 121 Ca 0.09 -1.88 0.00 0.00 -0.44 0.00 0.00 54.58 52.35 1oe0 n ASN 121 Cb 0.12 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 1oe0 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1oe0 n GLY 122 N 1.00 1.17 0.32 4.83 0.00 -1.00 -4.91 105.19 106.60 1oe0 n GLY 122 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1oe0 n GLY 122 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oe0 h SER 123 N 0.00 0.69 -3.62 1.61 0.02 -1.52 -3.38 113.55 107.34 1oe0 h SER 123 Ca 0.00 -0.05 -0.68 0.00 -0.84 0.00 0.00 61.79 60.22 1oe0 h SER 123 Cb 0.00 -0.17 -0.28 0.00 0.14 0.00 0.00 62.40 62.09 1oe0 h SER 123 CO 0.00 0.56 -0.63 -0.76 -1.14 0.00 0.00 176.83 174.86 1oe0 s LEU 124 N -9.57 3.97 0.88 5.07 1.43 -0.50 -3.89 118.68 116.07 1oe0 s LEU 124 Ca -0.10 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.00 1oe0 s LEU 124 Cb 0.17 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.66 1oe0 s LEU 124 CO 0.77 -0.24 1.15 -1.61 0.23 0.00 0.00 176.35 176.65 1oe0 s GLU 125 N 1.44 1.26 0.27 1.70 0.41 -1.26 -4.60 118.70 117.92 1oe0 s GLU 125 Ca 0.01 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.10 1oe0 s GLU 125 Cb -0.18 -1.76 0.53 0.00 -1.78 0.00 0.00 34.13 30.94 1oe0 s GLU 125 CO 0.02 -2.45 1.82 0.37 -0.49 0.00 0.00 175.26 174.52 1oe0 h GLN 126 N -1.64 0.87 -0.23 1.61 4.15 -1.95 -0.66 115.11 117.26 1oe0 h GLN 126 Ca -0.44 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 1oe0 h GLN 126 Cb 1.27 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1oe0 h GLN 126 CO 0.43 0.57 0.08 0.78 -1.93 0.00 0.00 178.83 178.76 1oe0 h GLY 127 N 0.89 0.34 1.00 2.39 0.00 -2.00 -0.44 103.07 105.27 1oe0 h GLY 127 Ca 0.48 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.45 1oe0 h GLY 127 CO -0.28 0.15 -0.75 -0.33 0.00 0.00 0.00 176.54 175.33 1oe0 h MET 128 N 0.32 0.59 -0.38 4.80 2.86 -1.49 -2.64 114.93 118.99 1oe0 h MET 128 Ca 0.08 -0.57 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1oe0 h MET 128 Cb 0.10 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1oe0 h MET 128 CO -0.01 1.19 0.23 -0.92 1.06 0.00 0.00 176.91 178.46 1oe0 h TYR 129 N 0.21 0.43 -0.61 -0.22 3.20 -0.86 -1.81 116.97 117.31 1oe0 h TYR 129 Ca -0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1oe0 h TYR 129 Cb 1.41 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 1oe0 h TYR 129 CO 0.12 0.26 0.32 -0.91 -1.64 0.00 0.00 178.16 176.30 1oe0 h ASN 130 N 0.47 0.77 -0.09 -2.11 2.35 -1.13 -0.06 115.58 115.77 1oe0 h ASN 130 Ca 0.15 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1oe0 h ASN 130 Cb -0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1oe0 h ASN 130 CO -0.06 0.66 -0.01 0.74 -1.65 0.00 0.00 177.43 177.11 1oe0 h THR 131 N 0.83 0.93 -0.45 2.81 2.02 -1.17 0.16 112.91 118.03 1oe0 h THR 131 Ca 0.21 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.40 1oe0 h THR 131 Cb 0.07 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1oe0 h THR 131 CO -0.03 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 176.06 1oe0 h LEU 132 N 0.02 0.44 -0.87 2.58 3.38 -1.09 -1.65 115.31 118.13 1oe0 h LEU 132 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1oe0 h LEU 132 Cb 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1oe0 h LEU 132 CO -0.08 0.32 0.40 -0.33 0.09 0.00 0.00 178.44 178.84 1oe0 h GLU 133 N 0.55 1.21 -0.40 1.13 4.39 -0.59 -0.79 114.58 120.07 1oe0 h GLU 133 Ca 0.18 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1oe0 h GLU 133 Cb -0.00 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1oe0 h GLU 133 CO -0.07 0.93 0.01 0.93 -1.16 0.00 0.00 179.01 179.65 1oe0 h GLU 134 N 1.20 0.63 -0.26 2.33 4.39 -0.33 -1.19 114.58 121.35 1oe0 h GLU 134 Ca 0.29 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1oe0 h GLU 134 Cb 0.12 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1oe0 h GLU 134 CO -0.04 0.65 0.04 -1.49 -1.16 0.00 0.00 179.01 177.01 1oe0 h TRP 135 N 0.60 0.46 -0.86 4.33 4.06 -0.50 -1.74 115.95 122.31 1oe0 h TRP 135 Ca 0.13 -0.07 0.06 0.00 2.06 0.00 0.00 58.89 61.07 1oe0 h TRP 135 Cb 0.37 -0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 28.34 1oe0 h TRP 135 CO 0.02 0.55 0.53 1.88 -3.56 0.00 0.00 178.44 177.86 1oe0 h TYR 136 N 0.24 0.99 -0.19 0.49 0.99 -0.69 0.28 116.97 119.08 1oe0 h TYR 136 Ca 0.08 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 1oe0 h TYR 136 Cb 0.34 -0.32 -0.01 0.00 1.00 0.00 0.00 36.73 37.74 1oe0 h TYR 136 CO 0.02 0.51 0.07 0.87 -0.00 0.00 0.00 178.16 179.63 1oe0 h LYS 137 N 0.98 0.29 -0.41 4.88 1.57 -1.03 -1.10 116.57 121.75 1oe0 h LYS 137 Ca 0.37 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1oe0 h LYS 137 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1oe0 h LYS 137 CO -0.17 0.37 0.21 0.35 -0.57 0.00 0.00 179.45 179.64 1oe0 h PHE 138 N 0.15 0.54 -0.41 -1.35 3.57 -0.85 -2.53 116.94 116.06 1oe0 h PHE 138 Ca 0.06 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1oe0 h PHE 138 Cb 0.19 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1oe0 h PHE 138 CO -0.01 0.39 -0.27 0.82 -2.23 0.00 0.00 178.31 177.01 1oe0 h ILE 139 N 0.56 1.27 -0.06 1.41 2.04 -0.49 -1.25 117.51 120.99 1oe0 h ILE 139 Ca 0.14 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1oe0 h ILE 139 Cb 0.04 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1oe0 h ILE 139 CO -0.02 0.48 0.03 -0.33 0.00 0.00 0.00 178.15 178.31 1oe0 h GLU 140 N 0.74 0.07 0.00 2.37 5.08 -0.77 -1.10 114.58 120.97 1oe0 h GLU 140 Ca 0.09 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1oe0 h GLU 140 Cb 0.82 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1oe0 h GLU 140 CO 0.07 0.05 -1.53 0.39 -1.00 0.00 0.00 179.01 176.99 1oe0 n GLU 141 N -4.52 0.63 -0.00 2.33 1.02 -1.06 -4.49 120.64 114.55 1oe0 n GLU 141 Ca -0.02 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 1oe0 n GLU 141 Cb 0.09 -1.72 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 1oe0 n GLU 141 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1oe0 n SER 142 N -2.69 1.45 -4.06 1.62 3.41 -0.50 -4.74 113.62 108.10 1oe0 n SER 142 Ca -0.09 -0.31 -0.21 0.00 -0.26 0.00 0.00 58.87 58.00 1oe0 n SER 142 Cb 0.74 1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 65.91 1oe0 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1oe0 s ILE 143 N -2.63 0.92 -0.17 -1.33 1.01 -0.43 -1.57 121.20 117.00 1oe0 s ILE 143 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1oe0 s ILE 143 Cb 0.09 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1oe0 s ILE 143 CO 0.54 0.26 0.73 -2.28 0.00 0.00 0.00 174.94 174.19 1oe0 s HIS 144 N -0.22 3.42 -0.34 3.97 5.65 -0.62 -4.60 115.29 122.55 1oe0 s HIS 144 Ca 0.04 1.12 0.03 0.00 0.25 0.00 0.00 55.06 56.49 1oe0 s HIS 144 Cb -0.05 -2.90 0.10 0.00 -1.18 0.00 0.00 32.58 28.55 1oe0 s HIS 144 CO -0.00 -0.17 0.06 0.08 -0.65 0.00 0.00 174.74 174.06 1oe0 s VAL 145 N 1.87 2.44 -0.04 0.89 1.01 -1.26 -4.67 120.40 120.64 1oe0 s VAL 145 Ca 0.34 -2.23 -0.30 0.00 0.00 0.00 0.00 61.98 59.79 1oe0 s VAL 145 Cb -0.16 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 1oe0 s VAL 145 CO 0.12 -0.56 1.61 -1.58 0.00 0.00 0.00 175.10 174.70 1oe0 s GLN 146 N 0.96 4.19 -0.30 2.72 2.00 -1.26 -4.97 119.66 123.00 1oe0 s GLN 146 Ca 0.09 2.16 -0.01 0.00 -2.00 0.00 0.00 55.36 55.60 1oe0 s GLN 146 Cb -0.20 -3.90 0.13 0.00 0.80 0.00 0.00 33.01 29.84 1oe0 s GLN 146 CO -0.07 -0.80 0.24 0.00 -0.50 0.00 0.00 175.29 174.16 1oe0 s ALA 147 N 3.71 0.01 -0.24 1.58 0.00 -1.26 -4.78 121.76 120.79 1oe0 s ALA 147 Ca 0.72 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1oe0 s ALA 147 Cb -0.33 -1.68 -0.17 0.00 0.00 0.00 0.00 23.12 20.94 1oe0 s ALA 147 CO 0.29 -1.77 -0.12 -0.25 0.00 0.00 0.00 175.76 173.91 1oe0 n ASP 148 N 5.07 1.99 -3.89 0.00 8.00 -0.49 -4.95 116.55 122.28 1oe0 n ASP 148 Ca -0.01 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 1oe0 n ASP 148 Cb 0.44 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.75 1oe0 n ASP 148 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1oe0 s LEU 149 N -7.05 1.85 -0.14 0.64 2.96 -0.86 -4.39 118.68 111.70 1oe0 s LEU 149 Ca -0.33 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1oe0 s LEU 149 Cb 0.10 0.29 0.02 0.00 0.50 0.00 0.00 46.19 47.10 1oe0 s LEU 149 CO 0.60 -0.18 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.67 1oe0 s ILE 150 N -0.73 1.56 -0.37 6.68 1.01 -0.39 0.07 121.20 129.02 1oe0 s ILE 150 Ca -0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1oe0 s ILE 150 Cb -0.05 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 1oe0 s ILE 150 CO 0.00 0.46 0.27 -0.63 0.00 0.00 0.00 174.94 175.04 1oe0 s ILE 151 N 1.32 5.27 -0.42 2.92 1.01 0.50 -1.00 121.20 130.80 1oe0 s ILE 151 Ca 0.01 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 1oe0 s ILE 151 Cb -0.14 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1oe0 s ILE 151 CO -0.08 -0.14 0.46 -0.47 0.00 0.00 0.00 174.94 174.71 1oe0 s TYR 152 N 1.72 3.16 -1.05 3.97 5.04 -0.12 -1.12 117.35 128.94 1oe0 s TYR 152 Ca 0.06 -0.34 -0.21 0.00 -2.44 0.00 0.00 57.07 54.14 1oe0 s TYR 152 Cb -0.18 -2.95 0.07 0.00 0.35 0.00 0.00 41.96 39.25 1oe0 s TYR 152 CO 0.10 -0.72 1.43 -0.51 -1.34 0.00 0.00 175.55 174.51 1oe0 s LEU 153 N 2.22 3.89 0.02 6.97 1.43 0.19 -1.01 118.68 132.40 1oe0 s LEU 153 Ca 0.13 -1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 51.17 1oe0 s LEU 153 Cb -0.17 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1oe0 s LEU 153 CO 0.14 -1.35 1.28 -0.60 0.23 0.00 0.00 176.35 176.05 1oe0 s ARG 154 N 4.32 4.36 0.33 1.70 3.52 0.34 -4.37 118.95 129.14 1oe0 s ARG 154 Ca 0.45 1.84 0.07 0.00 -0.13 0.00 0.00 55.73 57.95 1oe0 s ARG 154 Cb -0.00 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1oe0 s ARG 154 CO -0.07 -0.41 0.29 0.95 -0.81 0.00 0.00 175.30 175.24 1oe0 s THR 155 N 1.71 0.00 -0.01 4.11 -4.23 -1.26 -0.21 115.64 115.75 1oe0 s THR 155 Ca 0.60 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1oe0 s THR 155 Cb -0.30 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1oe0 s THR 155 CO 0.27 0.00 0.10 -0.94 -0.54 0.00 0.00 174.62 173.51 1oe0 s SER 156 N -3.36 5.80 0.37 3.99 1.04 -1.26 -5.00 113.70 115.27 1oe0 s SER 156 Ca 0.40 0.18 0.14 0.00 0.48 0.00 0.00 55.95 57.16 1oe0 s SER 156 Cb 0.02 -1.69 1.00 0.00 0.10 0.00 0.00 66.02 65.44 1oe0 s SER 156 CO 0.27 0.27 1.77 -0.65 0.98 0.00 0.00 173.24 175.88 1oe0 h PRO 157 N 4.06 0.48 -0.34 4.02 0.11 -1.96 -1.19 132.00 137.17 1oe0 h PRO 157 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1oe0 h PRO 157 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1oe0 h PRO 157 CO 0.63 0.32 0.12 0.93 -0.21 0.00 0.00 178.00 179.79 1oe0 h GLU 158 N 0.49 0.52 -0.24 1.05 3.07 -1.94 0.14 114.58 117.66 1oe0 h GLU 158 Ca 0.60 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1oe0 h GLU 158 Cb 1.33 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1oe0 h GLU 158 CO -0.35 0.53 0.14 0.28 -1.40 0.00 0.00 179.01 178.21 1oe0 h VAL 159 N 0.39 1.11 -0.62 3.13 2.07 -1.66 -1.87 116.25 118.81 1oe0 h VAL 159 Ca 0.11 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1oe0 h VAL 159 Cb 0.22 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1oe0 h VAL 159 CO -0.01 0.10 0.32 0.00 0.02 0.00 0.00 177.57 178.01 1oe0 h ALA 160 N 1.03 0.81 -0.82 1.67 0.00 -1.12 -1.23 119.26 119.60 1oe0 h ALA 160 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1oe0 h ALA 160 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1oe0 h ALA 160 CO -0.01 -0.02 0.55 -0.92 0.00 0.00 0.00 179.25 178.84 1oe0 h TYR 161 N 0.60 1.02 0.17 0.00 3.20 -0.35 -1.24 116.97 120.37 1oe0 h TYR 161 Ca 0.28 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1oe0 h TYR 161 Cb 0.19 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1oe0 h TYR 161 CO -0.09 0.63 -0.08 0.93 -1.64 0.00 0.00 178.16 177.91 1oe0 h GLU 162 N 1.09 -0.22 -0.72 1.82 5.08 -0.43 -2.44 114.58 118.77 1oe0 h GLU 162 Ca 0.31 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1oe0 h GLU 162 Cb -0.09 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1oe0 h GLU 162 CO -0.07 -0.00 0.45 0.00 -1.00 0.00 0.00 179.01 178.38 1oe0 h ARG 163 N -0.41 0.96 -0.79 2.33 3.08 -1.12 -1.58 114.38 116.85 1oe0 h ARG 163 Ca -0.02 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1oe0 h ARG 163 Cb 0.32 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1oe0 h ARG 163 CO 0.04 0.66 0.39 0.82 -1.07 0.00 0.00 179.97 180.81 1oe0 h ILE 164 N 0.98 1.24 0.00 2.04 2.04 -1.11 -1.93 117.51 120.78 1oe0 h ILE 164 Ca 0.26 -0.66 -0.18 0.00 1.00 0.00 0.00 64.86 65.28 1oe0 h ILE 164 Cb -0.06 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1oe0 h ILE 164 CO -0.05 0.29 -0.86 0.03 0.00 0.00 0.00 178.15 177.55 1oe0 h ARG 165 N 1.12 0.00 -0.09 2.37 2.47 -0.91 -2.53 114.38 116.81 1oe0 h ARG 165 Ca 0.27 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.84 1oe0 h ARG 165 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1oe0 h ARG 165 CO -0.04 0.86 -0.60 1.96 0.56 0.00 0.00 179.97 182.71 1oe0 h GLN 166 N 0.00 0.30 -0.25 0.04 4.20 -1.05 -2.87 115.11 115.48 1oe0 h GLN 166 Ca -0.01 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.35 1oe0 h GLN 166 Cb 1.55 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 1oe0 h GLN 166 CO 0.11 0.81 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.54 1oe0 h ARG 167 N 0.22 0.63 -5.84 1.46 2.43 -1.32 -3.48 114.38 108.49 1oe0 h ARG 167 Ca -0.01 -0.35 -0.38 0.00 -0.81 0.00 0.00 59.98 58.44 1oe0 h ARG 167 Cb 1.11 0.02 0.12 0.00 -0.42 0.00 0.00 29.97 30.81 1oe0 h ARG 167 CO 0.10 0.95 -0.75 0.00 -1.51 0.00 0.00 179.97 178.76 1oe0 n ALA 168 N -2.52 -1.72 -2.21 2.80 0.00 -0.96 -4.95 120.51 110.96 1oe0 n ALA 168 Ca -0.02 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1oe0 n ALA 168 Cb 0.55 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.42 1oe0 n ALA 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oe0 s ARG 169 N -5.88 4.30 0.34 0.00 0.52 -1.26 -4.88 118.95 112.09 1oe0 s ARG 169 Ca 0.25 2.01 0.09 0.00 -0.52 0.00 0.00 55.73 57.56 1oe0 s ARG 169 Cb -0.12 -3.44 0.81 0.00 0.52 0.00 0.00 34.95 32.72 1oe0 s ARG 169 CO 0.75 -0.51 1.82 0.66 0.02 0.00 0.00 175.30 178.04 1oe0 h SER 170 N 7.41 0.69 0.15 0.23 4.64 -1.99 -1.23 113.55 123.46 1oe0 h SER 170 Ca -0.40 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1oe0 h SER 170 Cb 1.19 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1oe0 h SER 170 CO 0.88 0.29 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.59 1oe0 h GLU 171 N 0.70 0.12 -0.20 4.77 3.07 -1.96 -2.81 114.58 118.27 1oe0 h GLU 171 Ca 0.52 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1oe0 h GLU 171 Cb 0.89 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1oe0 h GLU 171 CO -0.29 0.33 0.00 0.39 -1.40 0.00 0.00 179.01 178.04 1oe0 n GLU 172 N -4.24 1.82 0.27 2.33 1.02 -0.48 -4.43 120.64 116.92 1oe0 n GLU 172 Ca -0.01 -1.23 0.18 0.00 -0.02 0.00 0.00 57.16 56.07 1oe0 n GLU 172 Cb 0.30 -1.40 0.93 0.00 -0.02 0.00 0.00 31.44 31.25 1oe0 n GLU 172 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1oe0 h SER 173 N 2.43 0.00 -0.27 1.62 4.64 -1.34 -2.33 113.55 118.30 1oe0 h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oe0 h SER 173 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1oe0 h SER 173 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1oe0 s VAL 175 N -1.26 3.30 0.60 0.00 1.01 -0.88 -4.98 120.40 118.19 1oe0 s VAL 175 Ca 0.28 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 1oe0 s VAL 175 Cb 0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1oe0 s VAL 175 CO 0.24 -0.18 1.03 -2.16 0.00 0.00 0.00 175.10 174.03 1oe0 s PRO 176 N 5.48 3.56 0.39 2.72 0.04 -1.26 -4.97 135.00 140.96 1oe0 s PRO 176 Ca 0.86 0.89 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1oe0 s PRO 176 Cb -0.30 -2.08 0.80 0.00 0.04 0.00 0.00 34.50 32.96 1oe0 s PRO 176 CO 0.34 -0.60 2.02 1.25 0.04 0.00 0.00 177.00 180.05 1oe0 h LEU 177 N 0.04 0.49 -1.07 -3.56 5.85 -1.97 -2.33 115.31 112.76 1oe0 h LEU 177 Ca -0.45 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1oe0 h LEU 177 Cb 1.19 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1oe0 h LEU 177 CO 0.60 0.40 0.63 0.11 -0.34 0.00 0.00 178.44 179.84 1oe0 h LYS 178 N 0.56 1.17 -0.36 1.25 1.57 -1.99 -0.87 116.57 117.90 1oe0 h LYS 178 Ca 0.15 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1oe0 h LYS 178 Cb 0.02 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1oe0 h LYS 178 CO -0.02 0.77 0.22 -0.92 -0.57 0.00 0.00 179.45 178.92 1oe0 h TYR 179 N 1.20 0.41 -0.08 -1.35 3.20 -1.81 0.12 116.97 118.66 1oe0 h TYR 179 Ca 0.38 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.19 1oe0 h TYR 179 Cb 0.02 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1oe0 h TYR 179 CO -0.00 0.24 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.40 1oe0 h LEU 180 N 0.44 0.15 -0.37 2.82 3.38 -1.33 -1.34 115.31 119.06 1oe0 h LEU 180 Ca 0.14 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1oe0 h LEU 180 Cb -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1oe0 h LEU 180 CO -0.06 0.45 -0.38 1.56 0.09 0.00 0.00 178.44 180.11 1oe0 h GLN 181 N 0.14 0.91 -0.25 1.13 4.20 -0.20 0.33 115.11 121.37 1oe0 h GLN 181 Ca 0.02 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1oe0 h GLN 181 Cb 0.60 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1oe0 h GLN 181 CO 0.04 1.13 0.10 0.93 -0.67 0.00 0.00 178.83 180.36 1oe0 h GLU 182 N 0.72 0.38 -0.76 1.46 5.08 -0.40 -1.99 114.58 119.06 1oe0 h GLU 182 Ca 0.06 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1oe0 h GLU 182 Cb 0.97 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1oe0 h GLU 182 CO 0.09 0.42 0.36 -0.07 -1.00 0.00 0.00 179.01 178.81 1oe0 h LEU 183 N 0.25 0.99 0.30 1.33 3.38 -1.17 -2.13 115.31 118.27 1oe0 h LEU 183 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1oe0 h LEU 183 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1oe0 h LEU 183 CO -0.01 0.85 -0.23 -0.74 0.09 0.00 0.00 178.44 178.40 1oe0 h HIS 184 N 1.08 -0.61 -0.73 1.13 2.76 -0.63 -0.54 115.15 117.61 1oe0 h HIS 184 Ca 0.26 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.52 1oe0 h HIS 184 Cb 0.12 0.23 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 1oe0 h HIS 184 CO 0.01 -0.35 0.39 0.93 -1.30 0.00 0.00 177.93 177.61 1oe0 h GLU 185 N -0.53 0.64 -0.73 5.26 4.39 -1.17 0.58 114.58 123.01 1oe0 h GLU 185 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1oe0 h GLU 185 Cb 0.47 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1oe0 h GLU 185 CO -0.01 0.42 0.41 -0.07 -1.16 0.00 0.00 179.01 178.60 1oe0 h LEU 186 N 0.66 0.90 -0.48 1.33 3.38 -1.01 0.22 115.31 120.30 1oe0 h LEU 186 Ca 0.35 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 1oe0 h LEU 186 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1oe0 h LEU 186 CO -0.25 0.72 -0.35 0.45 0.09 0.00 0.00 178.44 179.10 1oe0 h HIS 187 N 1.02 1.03 0.24 1.13 3.86 -0.03 -2.56 115.15 119.82 1oe0 h HIS 187 Ca 0.26 -0.29 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1oe0 h HIS 187 Cb 0.01 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1oe0 h HIS 187 CO 0.01 1.09 -0.12 0.93 0.86 0.00 0.00 177.93 180.70 1oe0 h GLU 188 N 0.72 -0.31 -1.01 2.45 4.39 0.03 0.60 114.58 121.45 1oe0 h GLU 188 Ca 0.07 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.90 1oe0 h GLU 188 Cb 0.92 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.56 1oe0 h GLU 188 CO 0.09 -0.21 0.64 -0.44 -1.16 0.00 0.00 179.01 177.92 1oe0 h ASP 189 N -0.32 0.94 0.04 1.42 3.32 -0.56 -0.78 116.42 120.47 1oe0 h ASP 189 Ca -0.03 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1oe0 h ASP 189 Cb 0.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1oe0 h ASP 189 CO 0.05 0.51 -0.37 -0.25 -1.72 0.00 0.00 179.24 177.46 1oe0 h TRP 190 N 1.01 0.14 0.00 4.55 7.01 -1.27 0.46 115.95 127.85 1oe0 h TRP 190 Ca 0.49 -0.10 -0.13 0.00 2.11 0.00 0.00 58.89 61.26 1oe0 h TRP 190 Cb 0.46 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1oe0 h TRP 190 CO -0.00 1.14 -1.05 -0.07 -2.79 0.00 0.00 178.44 175.67 1oe0 h LEU 191 N -0.83 0.00 0.00 0.65 3.38 -0.86 -3.15 115.31 114.50 1oe0 h LEU 191 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1oe0 h LEU 191 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1oe0 h LEU 191 CO 0.01 0.52 -0.44 -0.38 0.09 0.00 0.00 178.44 178.24 1oe0 n ILE 192 N -3.00 0.77 0.62 1.22 5.41 -0.33 -4.63 119.36 119.41 1oe0 n ILE 192 Ca -0.05 0.29 0.11 0.00 1.00 0.00 0.00 62.75 64.10 1oe0 n ILE 192 Cb 0.78 -1.84 0.44 0.00 -0.71 0.00 0.00 39.64 38.31 1oe0 n ILE 192 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1oe0 n HIS 193 N -3.45 0.30 -3.60 1.39 8.25 -1.01 -4.96 115.22 112.15 1oe0 n HIS 193 Ca -0.06 0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 1oe0 n HIS 193 Cb 0.23 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1oe0 n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oe0 n GLN 194 N -1.76 -1.54 0.01 -0.41 0.00 -0.02 -4.93 117.38 108.73 1oe0 n GLN 194 Ca 0.04 0.99 -0.01 0.00 0.00 0.00 0.00 57.00 58.03 1oe0 n GLN 194 Cb 0.26 -3.08 -0.10 0.00 0.00 0.00 0.00 30.24 27.32 1oe0 n GLN 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1oe0 n ARG 195 N -2.22 0.63 -3.96 2.61 5.12 0.14 -4.86 116.66 114.12 1oe0 n ARG 195 Ca -0.23 0.19 -0.36 0.00 -1.93 0.00 0.00 57.85 55.52 1oe0 n ARG 195 Cb 0.65 -1.77 -0.08 0.00 -1.16 0.00 0.00 32.46 30.11 1oe0 n ARG 195 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1oe0 s ARG 196 N -2.90 3.58 -0.83 5.56 1.81 -1.26 -4.99 118.95 119.93 1oe0 s ARG 196 Ca -0.04 -0.23 -0.15 0.00 -1.72 0.00 0.00 55.73 53.59 1oe0 s ARG 196 Cb 0.09 -3.16 -0.23 0.00 -0.45 0.00 0.00 34.95 31.19 1oe0 s ARG 196 CO 0.82 0.60 2.10 -2.30 -0.68 0.00 0.00 175.30 175.84 1oe0 n PRO 197 N 2.54 0.18 0.00 3.54 -0.02 -1.26 -4.40 135.00 135.58 1oe0 n PRO 197 Ca -0.18 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 1oe0 n PRO 197 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1oe0 n PRO 197 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1oe0 n GLN 198 N 6.62 0.00 -3.00 -0.52 -0.06 -1.26 -5.01 117.38 114.15 1oe0 n GLN 198 Ca 0.52 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 55.33 1oe0 n GLN 198 Cb 0.30 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.48 1oe0 n GLN 198 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1oe0 n SER 199 N 0.00 -3.97 0.00 1.69 2.88 -1.26 -4.87 113.62 108.08 1oe0 n SER 199 Ca 0.00 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1oe0 n SER 199 Cb 0.00 -3.31 0.00 0.00 -0.75 0.00 0.00 64.21 60.15 1oe0 n SER 199 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1oe0 s LYS 201 N -2.00 0.88 -0.08 0.00 -0.14 -1.26 -5.10 119.74 112.05 1oe0 s LYS 201 Ca 0.00 -0.50 0.05 0.00 -1.36 0.00 0.00 55.97 54.16 1oe0 s LYS 201 Cb 0.00 -2.12 -0.00 0.00 -1.68 0.00 0.00 37.83 34.02 1oe0 s LYS 201 CO 0.00 -0.60 -0.24 0.08 -0.76 0.00 0.00 175.35 173.83 1oe0 s VAL 202 N 1.77 2.00 -0.27 3.17 1.01 -1.26 -1.26 120.40 125.55 1oe0 s VAL 202 Ca -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 1oe0 s VAL 202 Cb -0.17 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1oe0 s VAL 202 CO -0.07 0.55 -0.00 -0.22 0.00 0.00 0.00 175.10 175.36 1oe0 s LEU 203 N 0.10 3.51 -0.04 3.92 2.96 -0.17 -4.99 118.68 123.98 1oe0 s LEU 203 Ca -0.11 -0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 52.75 1oe0 s LEU 203 Cb -0.16 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1oe0 s LEU 203 CO 0.06 -0.17 0.60 -0.69 -1.32 0.00 0.00 176.35 174.83 1oe0 s VAL 204 N 1.39 5.00 -0.05 1.68 1.01 -1.26 -0.95 120.40 127.21 1oe0 s VAL 204 Ca 0.01 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.25 1oe0 s VAL 204 Cb -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1oe0 s VAL 204 CO -0.01 0.36 -0.16 -0.76 0.00 0.00 0.00 175.10 174.53 1oe0 s LEU 205 N 0.21 1.84 -0.59 3.92 1.02 -0.18 -4.95 118.68 119.95 1oe0 s LEU 205 Ca 0.32 -0.34 -0.27 0.00 0.02 0.00 0.00 54.13 53.85 1oe0 s LEU 205 Cb -0.17 -0.93 0.01 0.00 0.02 0.00 0.00 46.19 45.11 1oe0 s LEU 205 CO 0.16 0.11 1.51 -0.62 0.02 0.00 0.00 176.35 177.53 1oe0 s ASP 206 N 0.26 5.93 -0.21 2.29 -1.08 -1.26 -0.51 116.67 122.09 1oe0 s ASP 206 Ca -0.08 0.24 0.05 0.00 -0.52 0.00 0.00 52.55 52.24 1oe0 s ASP 206 Cb -0.13 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.23 1oe0 s ASP 206 CO 0.03 -1.88 1.41 0.00 0.52 0.00 0.00 175.17 175.26 1oe0 n ALA 207 N 10.28 3.89 -0.79 3.66 0.00 0.71 -4.11 120.51 134.15 1oe0 n ALA 207 Ca 0.13 -1.47 -0.19 0.00 0.00 0.00 0.00 53.44 51.91 1oe0 n ALA 207 Cb 0.50 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.84 1oe0 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1oe0 n ASP 208 N -0.08 5.67 -3.10 0.00 8.00 -1.26 -4.82 116.55 120.96 1oe0 n ASP 208 Ca 0.27 -3.16 -0.11 0.00 0.71 0.00 0.00 54.79 52.50 1oe0 n ASP 208 Cb 1.03 -0.93 0.05 0.00 -0.02 0.00 0.00 41.12 41.25 1oe0 n ASP 208 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1oe0 n LEU 209 N -0.16 -5.66 0.00 0.64 4.77 -1.26 -5.14 117.00 110.19 1oe0 n LEU 209 Ca 0.38 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1oe0 n LEU 209 Cb 0.81 -3.07 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 1oe0 n LEU 209 CO 0.45 -0.16 0.00 -3.20 -1.33 0.00 0.00 177.39 173.15