#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oiw n ASP 9 N 0.00 1.59 -3.95 9.48 10.43 0.52 -4.98 116.55 129.64 1oiw n ASP 9 Ca 0.00 0.10 -0.10 0.00 2.57 0.00 0.00 54.79 57.37 1oiw n ASP 9 Cb 0.00 -0.34 -0.11 0.00 1.84 0.00 0.00 41.12 42.51 1oiw n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1oiw s TYR 10 N -2.54 0.19 -0.21 1.24 2.02 -0.98 -5.02 117.35 112.05 1oiw s TYR 10 Ca -0.22 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 1oiw s TYR 10 Cb 0.07 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1oiw s TYR 10 CO 0.73 -0.21 -0.15 -1.17 -1.57 0.00 0.00 175.55 173.19 1oiw s LEU 11 N -1.38 2.55 -0.23 -1.29 2.96 -1.26 0.12 118.68 120.15 1oiw s LEU 11 Ca -0.15 -0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 52.79 1oiw s LEU 11 Cb -0.09 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1oiw s LEU 11 CO -0.00 -0.10 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.54 1oiw s PHE 12 N 1.27 3.00 -0.15 5.38 0.08 0.43 -4.97 117.98 123.02 1oiw s PHE 12 Ca -0.01 -1.00 -0.25 0.00 0.12 0.00 0.00 56.93 55.79 1oiw s PHE 12 Cb -0.16 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1oiw s PHE 12 CO -0.09 -0.57 0.81 0.21 -0.10 0.00 0.00 175.22 175.48 1oiw s LYS 13 N 1.47 4.33 -0.02 0.44 2.20 -1.26 -1.13 119.74 125.77 1oiw s LYS 13 Ca 0.05 1.00 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 1oiw s LYS 13 Cb -0.15 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1oiw s LYS 13 CO -0.03 -0.25 -0.10 0.08 -0.36 0.00 0.00 175.35 174.69 1oiw s VAL 14 N 1.88 0.85 0.14 4.02 1.01 -0.34 -1.41 120.40 126.54 1oiw s VAL 14 Ca 0.39 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1oiw s VAL 14 Cb -0.17 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1oiw s VAL 14 CO 0.14 0.26 0.00 0.68 0.00 0.00 0.00 175.10 176.18 1oiw s VAL 15 N 0.07 3.86 -0.17 2.92 -7.23 -0.66 -1.18 120.40 118.01 1oiw s VAL 15 Ca -0.01 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1oiw s VAL 15 Cb -0.08 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1oiw s VAL 15 CO 0.00 -0.01 0.02 -0.76 -0.31 0.00 0.00 175.10 174.04 1oiw s LEU 16 N -2.68 3.57 0.04 1.32 1.43 -0.08 -0.87 118.68 121.42 1oiw s LEU 16 Ca 0.27 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1oiw s LEU 16 Cb -0.10 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1oiw s LEU 16 CO 0.19 0.16 0.02 0.27 0.23 0.00 0.00 176.35 177.22 1oiw s ILE 17 N 0.43 0.16 0.00 -0.59 -4.36 -0.65 -4.44 121.20 111.76 1oiw s ILE 17 Ca 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 1oiw s ILE 17 Cb -0.13 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.54 1oiw s ILE 17 CO 0.01 -0.74 0.00 0.61 0.24 0.00 0.00 174.94 175.06 1oiw n GLY 18 N 0.63 3.55 3.57 6.27 0.00 -1.26 -0.45 105.19 117.50 1oiw n GLY 18 Ca -0.18 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1oiw n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oiw n ASP 19 N 0.00 0.10 -4.77 1.61 9.92 -1.26 -4.23 116.55 117.93 1oiw n ASP 19 Ca 0.00 0.70 -0.39 0.00 -0.53 0.00 0.00 54.79 54.58 1oiw n ASP 19 Cb 0.00 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.14 1oiw n ASP 19 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1oiw s SER 20 N -1.43 6.09 0.00 -2.24 1.04 -1.26 -2.80 113.70 113.10 1oiw s SER 20 Ca 0.73 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.81 1oiw s SER 20 Cb -0.38 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.11 1oiw s SER 20 CO 0.51 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1oiw n GLY 21 N 0.63 1.32 0.21 7.32 0.00 -1.26 -4.93 105.19 108.49 1oiw n GLY 21 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1oiw n GLY 21 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1oiw h VAL 22 N 0.00 0.00 0.00 1.61 -1.51 -1.88 -3.47 116.25 111.00 1oiw h VAL 22 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1oiw h VAL 22 Cb 0.00 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1oiw h VAL 22 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1oiw n GLY 23 N 0.72 1.44 0.22 5.19 0.00 -1.26 -4.61 105.19 106.89 1oiw n GLY 23 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1oiw n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oiw h LYS 24 N 0.70 -0.17 -0.68 1.61 1.57 -1.91 -1.04 116.57 116.66 1oiw h LYS 24 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1oiw h LYS 24 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1oiw h LYS 24 CO 0.00 -0.11 0.20 0.77 -0.57 0.00 0.00 179.45 179.74 1oiw h SER 25 N -0.17 0.98 1.16 0.86 0.02 -1.96 -1.89 113.55 112.55 1oiw h SER 25 Ca 0.13 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1oiw h SER 25 Cb 0.37 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1oiw h SER 25 CO -0.33 0.92 -0.26 0.78 -1.14 0.00 0.00 176.83 176.80 1oiw h ASN 26 N 1.01 0.00 -0.35 3.07 2.35 -1.89 -1.02 115.58 118.74 1oiw h ASN 26 Ca 0.22 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.81 1oiw h ASN 26 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1oiw h ASN 26 CO -0.01 0.26 -0.38 0.25 -1.65 0.00 0.00 177.43 175.91 1oiw h LEU 27 N 0.00 0.96 -0.16 1.61 5.85 -0.75 -0.53 115.31 122.29 1oiw h LEU 27 Ca -0.00 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1oiw h LEU 27 Cb 0.91 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1oiw h LEU 27 CO 0.03 1.22 -0.13 0.25 -0.34 0.00 0.00 178.44 179.48 1oiw h LEU 28 N 0.74 0.39 -1.19 2.25 5.85 -0.99 -2.34 115.31 120.03 1oiw h LEU 28 Ca 0.06 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 1oiw h LEU 28 Cb 0.96 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1oiw h LEU 28 CO 0.09 0.77 -0.27 0.77 -0.34 0.00 0.00 178.44 179.46 1oiw h SER 29 N 0.02 0.22 -0.30 1.25 4.64 -1.15 -0.23 113.55 117.99 1oiw h SER 29 Ca 0.03 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1oiw h SER 29 Cb 0.64 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1oiw h SER 29 CO 0.03 0.49 -0.32 -0.09 -0.87 0.00 0.00 176.83 176.08 1oiw h ARG 30 N 0.20 0.75 -0.12 4.77 9.65 -0.70 0.11 114.38 129.04 1oiw h ARG 30 Ca 0.03 -0.40 -0.23 0.00 -1.10 0.00 0.00 59.98 58.28 1oiw h ARG 30 Cb 0.59 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1oiw h ARG 30 CO 0.04 1.02 -0.83 0.35 2.80 0.00 0.00 179.97 183.36 1oiw h PHE 31 N 0.50 1.01 0.00 2.20 3.57 -1.20 -1.84 116.94 121.19 1oiw h PHE 31 Ca 0.05 -0.47 -0.27 0.00 3.53 0.00 0.00 57.97 60.80 1oiw h PHE 31 Cb 0.89 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1oiw h PHE 31 CO 0.07 1.30 -1.71 0.25 -2.23 0.00 0.00 178.31 175.99 1oiw n THR 32 N -3.91 1.50 -0.52 4.41 -2.24 -0.12 -4.54 114.28 108.87 1oiw n THR 32 Ca -0.08 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1oiw n THR 32 Cb 0.77 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1oiw n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1oiw n ARG 33 N -2.99 0.97 -3.94 -0.78 1.74 0.26 -5.00 116.66 106.92 1oiw n ARG 33 Ca -0.17 -0.80 -0.30 0.00 -0.77 0.00 0.00 57.85 55.82 1oiw n ARG 33 Cb 1.02 -0.74 0.02 0.00 -1.02 0.00 0.00 32.46 31.73 1oiw n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1oiw n ASN 34 N -0.18 -3.80 -4.29 0.55 4.05 -0.50 -4.93 115.26 106.16 1oiw n ASN 34 Ca 0.00 -0.84 -0.22 0.00 0.45 0.00 0.00 54.58 53.97 1oiw n ASN 34 Cb 0.32 -3.66 -0.12 0.00 1.23 0.00 0.00 39.78 37.55 1oiw n ASN 34 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1oiw s GLU 35 N -6.59 1.15 -0.09 1.20 2.02 -0.84 -4.92 118.70 110.62 1oiw s GLU 35 Ca 0.55 -1.26 -0.06 0.00 0.02 0.00 0.00 54.97 54.22 1oiw s GLU 35 Cb -0.28 -1.25 0.03 0.00 0.10 0.00 0.00 34.13 32.73 1oiw s GLU 35 CO 0.85 0.27 0.22 0.12 0.02 0.00 0.00 175.26 176.73 1oiw s PHE 36 N -1.67 -0.26 -0.07 1.61 5.36 -1.26 -2.36 117.98 119.32 1oiw s PHE 36 Ca 0.10 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 56.73 1oiw s PHE 36 Cb -0.07 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 1oiw s PHE 36 CO 0.05 -0.16 -0.11 1.21 -1.46 0.00 0.00 175.22 174.75 1oiw s ASN 37 N 0.65 1.77 0.26 6.13 3.84 -1.26 -5.01 114.94 121.32 1oiw s ASN 37 Ca -0.04 -0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.00 1oiw s ASN 37 Cb -0.06 -0.80 0.82 0.00 -0.55 0.00 0.00 41.25 40.67 1oiw s ASN 37 CO -0.04 0.00 1.75 0.25 -2.79 0.00 0.00 177.10 176.28 1oiw h LEU 38 N 7.19 0.00 -8.86 3.21 5.85 -2.03 -3.43 115.31 117.23 1oiw h LEU 38 Ca -0.31 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 57.84 1oiw h LEU 38 Cb 1.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1oiw h LEU 38 CO 0.46 0.00 0.99 -1.61 -0.34 0.00 0.00 178.44 177.95 1oiw s GLU 39 N -3.18 3.78 -0.18 1.25 8.01 -1.26 -4.98 118.70 122.13 1oiw s GLU 39 Ca 0.08 1.03 -0.29 0.00 0.01 0.00 0.00 54.97 55.80 1oiw s GLU 39 Cb 0.11 -3.93 -0.00 0.00 -4.31 0.00 0.00 34.13 26.00 1oiw s GLU 39 CO 0.56 -1.30 1.06 -1.54 0.01 0.00 0.00 175.26 174.04 1oiw s SER 40 N 3.08 7.13 -0.18 -0.19 1.04 -1.26 -5.02 113.70 118.30 1oiw s SER 40 Ca 0.56 1.47 -0.02 0.00 0.48 0.00 0.00 55.95 58.45 1oiw s SER 40 Cb -0.14 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.49 1oiw s SER 40 CO 0.27 -0.61 0.00 -0.54 0.98 0.00 0.00 173.24 173.35 1oiw s LYS 41 N 2.81 0.93 0.22 4.02 1.02 -1.26 -5.11 119.74 122.37 1oiw s LYS 41 Ca 0.47 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.71 1oiw s LYS 41 Cb -0.17 -1.99 -0.14 0.00 -0.52 0.00 0.00 37.83 35.01 1oiw s LYS 41 CO 0.11 -0.54 1.30 -1.13 -0.92 0.00 0.00 175.35 174.16 1oiw n SER 42 N 4.98 2.15 -4.75 2.83 3.41 -1.26 -4.87 113.62 116.12 1oiw n SER 42 Ca -0.10 1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 59.25 1oiw n SER 42 Cb 0.47 -1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 1oiw n SER 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1oiw s THR 43 N -0.15 2.79 -0.14 6.66 2.01 -1.26 -5.00 115.64 120.55 1oiw s THR 43 Ca 0.70 0.69 -0.18 0.00 0.31 0.00 0.00 61.69 63.21 1oiw s THR 43 Cb -0.73 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1oiw s THR 43 CO 0.51 0.13 0.47 -0.63 -0.69 0.00 0.00 174.62 174.40 1oiw s ILE 44 N -0.32 5.19 0.00 1.82 1.01 -1.26 -4.09 121.20 123.54 1oiw s ILE 44 Ca 0.56 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.12 1oiw s ILE 44 Cb -0.40 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1oiw s ILE 44 CO 0.45 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.31 1oiw n GLY 45 N 3.40 3.18 3.14 6.18 0.00 -1.26 -4.38 105.19 115.45 1oiw n GLY 45 Ca -0.07 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1oiw n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oiw s VAL 46 N 0.00 1.65 0.09 1.61 1.01 -1.26 -4.14 120.40 119.36 1oiw s VAL 46 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1oiw s VAL 46 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1oiw s VAL 46 CO 0.00 0.47 -0.03 -1.61 0.00 0.00 0.00 175.10 173.93 1oiw s GLU 47 N 0.45 2.42 0.01 2.72 0.41 0.56 -4.97 118.70 120.30 1oiw s GLU 47 Ca -0.16 -0.89 0.05 0.00 -0.41 0.00 0.00 54.97 53.56 1oiw s GLU 47 Cb -0.17 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 29.70 1oiw s GLU 47 CO 0.06 0.53 -0.17 -0.06 -0.49 0.00 0.00 175.26 175.14 1oiw s PHE 48 N -1.27 1.48 0.00 1.61 0.08 -1.26 -1.06 117.98 117.56 1oiw s PHE 48 Ca 0.24 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 1oiw s PHE 48 Cb -0.11 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1oiw s PHE 48 CO 0.17 0.01 0.20 0.00 -0.10 0.00 0.00 175.22 175.50 1oiw s ALA 49 N -0.56 -0.48 0.13 5.36 0.00 -0.62 -5.01 121.76 120.57 1oiw s ALA 49 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1oiw s ALA 49 Cb -0.07 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1oiw s ALA 49 CO 0.00 -0.25 -0.10 -0.08 0.00 0.00 0.00 175.76 175.33 1oiw s THR 50 N -1.58 1.05 -0.23 0.00 -1.32 -1.26 -0.57 115.64 111.73 1oiw s THR 50 Ca -0.13 -1.93 -0.27 0.00 -1.21 0.00 0.00 61.69 58.15 1oiw s THR 50 Cb -0.06 -1.70 0.12 0.00 -1.51 0.00 0.00 72.50 69.35 1oiw s THR 50 CO 0.01 -0.71 0.97 -0.60 -2.21 0.00 0.00 174.62 172.08 1oiw s ARG 51 N -3.50 0.60 0.07 7.08 6.06 -0.63 -4.83 118.95 123.81 1oiw s ARG 51 Ca 0.13 0.47 0.07 0.00 -2.50 0.00 0.00 55.73 53.91 1oiw s ARG 51 Cb 0.01 0.29 -0.04 0.00 0.06 0.00 0.00 34.95 35.28 1oiw s ARG 51 CO -0.00 -0.12 -0.16 -1.12 -2.50 0.00 0.00 175.30 171.39 1oiw s SER 52 N -0.26 3.96 0.21 -2.12 0.01 -1.26 0.52 113.70 114.77 1oiw s SER 52 Ca 0.00 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 1oiw s SER 52 Cb -0.03 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1oiw s SER 52 CO -0.02 0.22 0.18 0.27 0.41 0.00 0.00 173.24 174.30 1oiw s ILE 53 N -1.04 0.00 -0.14 1.44 -4.36 -0.67 -4.96 121.20 111.47 1oiw s ILE 53 Ca 0.17 -1.94 -0.06 0.00 -0.26 0.00 0.00 60.65 58.56 1oiw s ILE 53 Cb -0.11 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1oiw s ILE 53 CO 0.08 0.00 0.07 -1.58 0.24 0.00 0.00 174.94 173.76 1oiw s GLN 54 N -4.09 3.53 -0.21 0.37 0.74 -1.26 -0.47 119.66 118.27 1oiw s GLN 54 Ca 0.37 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.46 1oiw s GLN 54 Cb 0.06 -3.10 0.10 0.00 1.10 0.00 0.00 33.01 31.17 1oiw s GLN 54 CO 0.13 0.56 0.23 0.08 -0.55 0.00 0.00 175.29 175.74 1oiw s VAL 55 N -0.45 -0.34 -1.10 1.34 1.01 0.06 -4.88 120.40 116.04 1oiw s VAL 55 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1oiw s VAL 55 Cb -0.12 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1oiw s VAL 55 CO 0.02 -0.24 0.85 -0.67 0.00 0.00 0.00 175.10 175.06 1oiw n ASP 56 N 5.32 -5.42 0.00 3.32 2.03 -1.26 -2.29 116.55 118.26 1oiw n ASP 56 Ca -0.05 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1oiw n ASP 56 Cb 0.49 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.82 1oiw n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oiw n GLY 57 N -1.63 2.41 3.87 0.27 0.00 -1.26 -5.01 105.19 103.83 1oiw n GLY 57 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1oiw n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oiw s LYS 58 N -0.09 3.09 -0.34 1.61 3.01 -0.97 -5.09 119.74 120.96 1oiw s LYS 58 Ca 0.00 -0.93 -0.16 0.00 -1.01 0.00 0.00 55.97 53.87 1oiw s LYS 58 Cb 0.00 -2.68 -0.01 0.00 -1.01 0.00 0.00 37.83 34.13 1oiw s LYS 58 CO 0.00 0.43 0.39 0.99 0.51 0.00 0.00 175.35 177.67 1oiw s THR 59 N -2.02 5.14 -0.31 2.17 2.01 -1.26 -0.76 115.64 120.60 1oiw s THR 59 Ca 0.33 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1oiw s THR 59 Cb -0.09 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1oiw s THR 59 CO 0.26 -0.12 0.13 -0.63 -0.69 0.00 0.00 174.62 173.57 1oiw s ILE 60 N 2.10 4.35 -0.36 1.82 -1.09 0.38 -0.35 121.20 128.05 1oiw s ILE 60 Ca 0.13 -0.55 -0.24 0.00 -2.23 0.00 0.00 60.65 57.76 1oiw s ILE 60 Cb -0.16 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1oiw s ILE 60 CO 0.12 0.05 0.82 -0.75 -1.23 0.00 0.00 174.94 173.95 1oiw s LYS 61 N 1.57 3.80 -0.22 2.79 2.20 0.12 -1.67 119.74 128.32 1oiw s LYS 61 Ca 0.04 0.41 -0.14 0.00 -0.36 0.00 0.00 55.97 55.91 1oiw s LYS 61 Cb -0.17 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1oiw s LYS 61 CO 0.05 -0.85 0.34 0.00 -0.36 0.00 0.00 175.35 174.52 1oiw s ALA 62 N 3.17 3.57 -0.38 3.13 0.00 0.18 -0.43 121.76 131.01 1oiw s ALA 62 Ca 0.33 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1oiw s ALA 62 Cb -0.13 -2.57 0.08 0.00 0.00 0.00 0.00 23.12 20.50 1oiw s ALA 62 CO 0.17 -0.35 0.15 -1.14 0.00 0.00 0.00 175.76 174.59 1oiw s GLN 63 N 1.40 2.29 -0.21 0.00 0.74 -0.28 -1.60 119.66 122.01 1oiw s GLN 63 Ca 0.15 -1.55 -0.14 0.00 0.05 0.00 0.00 55.36 53.88 1oiw s GLN 63 Cb -0.15 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 1oiw s GLN 63 CO 0.08 -0.89 0.33 0.42 -0.55 0.00 0.00 175.29 174.67 1oiw s ILE 64 N 1.25 5.25 -0.08 -2.34 1.09 0.27 -1.20 121.20 125.44 1oiw s ILE 64 Ca 0.03 0.56 -0.06 0.00 -1.10 0.00 0.00 60.65 60.08 1oiw s ILE 64 Cb -0.22 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.48 1oiw s ILE 64 CO -0.01 0.29 0.17 0.26 -0.10 0.00 0.00 174.94 175.54 1oiw s TRP 65 N 1.14 3.59 0.02 3.97 0.52 -0.32 -1.59 118.94 126.27 1oiw s TRP 65 Ca 0.16 0.50 0.01 0.00 0.02 0.00 0.00 56.10 56.78 1oiw s TRP 65 Cb -0.14 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1oiw s TRP 65 CO 0.07 0.70 -0.03 0.34 0.02 0.00 0.00 176.95 178.04 1oiw s ASP 66 N -1.33 0.35 0.23 2.95 3.68 -0.22 -0.90 116.67 121.43 1oiw s ASP 66 Ca 0.19 -0.33 -0.20 0.00 2.13 0.00 0.00 52.55 54.34 1oiw s ASP 66 Cb -0.12 0.04 0.03 0.00 -1.45 0.00 0.00 42.92 41.42 1oiw s ASP 66 CO 0.09 -0.16 0.64 0.28 0.13 0.00 0.00 175.17 176.15 1oiw s THR 67 N -0.90 0.01 0.42 1.71 -1.32 -1.26 -0.32 115.64 113.98 1oiw s THR 67 Ca -0.08 -0.77 -0.25 0.00 -1.21 0.00 0.00 61.69 59.37 1oiw s THR 67 Cb -0.06 -1.71 -0.08 0.00 -1.51 0.00 0.00 72.50 69.13 1oiw s THR 67 CO -0.00 -0.02 1.31 0.00 -2.21 0.00 0.00 174.62 173.69 1oiw s ALA 68 N -3.88 3.21 0.23 11.08 0.00 -1.26 -4.88 121.76 126.25 1oiw s ALA 68 Ca 0.09 1.23 0.11 0.00 0.00 0.00 0.00 51.96 53.40 1oiw s ALA 68 Cb -0.04 -3.49 0.31 0.00 0.00 0.00 0.00 23.12 19.90 1oiw s ALA 68 CO 0.01 -0.87 1.58 0.78 0.00 0.00 0.00 175.76 177.25 1oiw h GLY 69 N 2.53 0.00 -4.53 0.00 0.00 -1.86 -3.44 103.07 95.76 1oiw h GLY 69 Ca -0.50 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.30 1oiw h GLY 69 CO 0.62 0.00 0.59 -2.27 0.00 0.00 0.00 176.54 175.48 1oiw s LEU 70 N -7.39 4.36 -0.23 3.11 1.98 -1.26 -4.56 118.68 114.69 1oiw s LEU 70 Ca -0.01 2.00 0.10 0.00 -2.89 0.00 0.00 54.13 53.33 1oiw s LEU 70 Cb 0.12 -3.58 0.43 0.00 0.66 0.00 0.00 46.19 43.83 1oiw s LEU 70 CO 0.76 -0.49 1.21 -0.62 -1.89 0.00 0.00 176.35 175.32 1oiw n GLU 71 N 4.13 2.14 0.15 1.98 1.02 -1.26 -4.85 120.64 123.95 1oiw n GLU 71 Ca 0.09 -3.54 -0.06 0.00 -0.02 0.00 0.00 57.16 53.64 1oiw n GLU 71 Cb 0.46 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1oiw n GLU 71 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1oiw h ARG 72 N 1.34 -0.37 0.00 3.49 2.43 -2.00 -3.37 114.38 115.90 1oiw h ARG 72 Ca 0.10 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1oiw h ARG 72 Cb 1.16 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1oiw h ARG 72 CO 0.21 -0.24 -1.24 0.66 -1.51 0.00 0.00 179.97 177.85 1oiw n TYR 73 N -3.04 0.73 -3.64 2.20 4.02 -1.26 -4.80 117.16 111.38 1oiw n TYR 73 Ca -0.05 0.21 -0.24 0.00 -0.01 0.00 0.00 57.90 57.81 1oiw n TYR 73 Cb 0.15 -0.85 -0.17 0.00 -0.02 0.00 0.00 39.34 38.45 1oiw n TYR 73 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1oiw s ARG 74 N -3.40 0.09 0.13 -0.72 0.52 -1.26 -5.14 118.95 109.17 1oiw s ARG 74 Ca -0.02 0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.11 1oiw s ARG 74 Cb 0.11 -1.46 -0.06 0.00 0.52 0.00 0.00 34.95 34.05 1oiw s ARG 74 CO 0.82 -0.56 0.46 0.00 0.02 0.00 0.00 175.30 176.04 1oiw s ALA 75 N 2.12 3.66 0.23 2.13 0.00 -1.26 -4.46 121.76 124.18 1oiw s ALA 75 Ca 0.03 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 1oiw s ALA 75 Cb -0.15 -2.36 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 1oiw s ALA 75 CO -0.07 0.53 1.45 0.42 0.00 0.00 0.00 175.76 178.09 1oiw s ILE 76 N -1.51 2.71 0.47 0.00 1.01 -1.26 -5.02 121.20 117.60 1oiw s ILE 76 Ca 0.37 0.58 0.08 0.00 0.00 0.00 0.00 60.65 61.68 1oiw s ILE 76 Cb -0.14 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1oiw s ILE 76 CO 0.19 0.08 0.61 0.42 0.00 0.00 0.00 174.94 176.25 1oiw s THR 77 N 0.20 2.63 0.42 2.92 -4.23 -1.26 -4.98 115.64 111.34 1oiw s THR 77 Ca 0.61 -1.06 0.40 0.00 -1.18 0.00 0.00 61.69 60.46 1oiw s THR 77 Cb -0.42 -2.69 0.42 0.00 1.34 0.00 0.00 72.50 71.16 1oiw s THR 77 CO 0.41 0.00 2.21 0.28 -0.54 0.00 0.00 174.62 176.98 1oiw h SER 78 N 0.54 0.00 0.06 3.99 0.02 -1.96 -2.00 113.55 114.21 1oiw h SER 78 Ca -0.37 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.50 1oiw h SER 78 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1oiw h SER 78 CO 0.46 0.00 -0.25 0.00 -1.14 0.00 0.00 176.83 175.89 1oiw h ALA 79 N 2.00 1.24 -0.26 3.77 0.00 -1.94 0.44 119.26 124.52 1oiw h ALA 79 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1oiw h ALA 79 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1oiw h ALA 79 CO 0.00 0.50 0.07 -0.92 0.00 0.00 0.00 179.25 178.90 1oiw h TYR 80 N 0.29 0.42 0.00 0.00 3.20 -1.75 -3.15 116.97 115.99 1oiw h TYR 80 Ca 0.05 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1oiw h TYR 80 Cb 0.61 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1oiw h TYR 80 CO 0.01 0.47 -0.13 1.88 -1.64 0.00 0.00 178.16 178.76 1oiw h TYR 81 N 0.25 0.00 -1.54 -3.82 -1.99 -1.54 -3.46 116.97 104.86 1oiw h TYR 81 Ca 0.08 0.00 -0.73 0.00 2.00 0.00 0.00 58.73 60.08 1oiw h TYR 81 Cb 0.26 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.01 1oiw h TYR 81 CO 0.01 0.03 0.78 -2.13 -0.00 0.00 0.00 178.16 176.85 1oiw n ARG 82 N -3.07 1.09 -0.82 4.88 0.63 0.15 -1.02 116.66 118.51 1oiw n ARG 82 Ca 0.03 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1oiw n ARG 82 Cb 0.55 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1oiw n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oiw n GLY 83 N 3.77 1.16 3.72 5.14 0.00 -1.26 -5.00 105.19 112.72 1oiw n GLY 83 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1oiw n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oiw s ALA 84 N -3.57 3.48 -1.40 4.61 0.00 -0.19 -4.61 121.76 120.08 1oiw s ALA 84 Ca 0.00 0.97 0.20 0.00 0.00 0.00 0.00 51.96 53.14 1oiw s ALA 84 Cb 0.00 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1oiw s ALA 84 CO 0.00 -0.50 0.93 1.33 0.00 0.00 0.00 175.76 177.51 1oiw n VAL 85 N 3.78 0.00 -3.90 0.00 0.24 -0.50 -4.71 118.33 113.23 1oiw n VAL 85 Ca 0.09 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.13 1oiw n VAL 85 Cb 0.44 1.12 -0.10 0.00 -1.47 0.00 0.00 33.84 33.83 1oiw n VAL 85 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1oiw s GLY 86 N -2.58 0.11 -0.06 7.63 0.00 -1.18 -1.71 107.32 109.53 1oiw s GLY 86 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 1oiw s GLY 86 CO 0.67 -0.43 0.12 0.00 0.00 0.00 0.00 173.10 173.45 1oiw s ALA 87 N -1.66 -0.12 -0.48 3.20 0.00 -0.07 -1.65 121.76 120.98 1oiw s ALA 87 Ca -0.13 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1oiw s ALA 87 Cb -0.07 -0.54 0.09 0.00 0.00 0.00 0.00 23.12 22.61 1oiw s ALA 87 CO -0.00 -0.30 0.39 -0.51 0.00 0.00 0.00 175.76 175.34 1oiw s LEU 88 N 1.57 5.66 -0.44 0.00 1.43 -0.05 -0.93 118.68 125.93 1oiw s LEU 88 Ca -0.04 -1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 51.35 1oiw s LEU 88 Cb -0.12 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1oiw s LEU 88 CO -0.05 -0.68 0.58 -0.22 0.23 0.00 0.00 176.35 176.21 1oiw s LEU 89 N 1.57 4.67 0.03 1.79 0.20 -0.37 -1.63 118.68 124.94 1oiw s LEU 89 Ca 0.04 -0.52 0.01 0.00 0.69 0.00 0.00 54.13 54.35 1oiw s LEU 89 Cb -0.25 -2.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.88 1oiw s LEU 89 CO 0.04 -0.74 0.09 -0.69 -0.29 0.00 0.00 176.35 174.76 1oiw s VAL 90 N 2.59 4.68 0.15 1.68 1.01 0.40 0.02 120.40 130.93 1oiw s VAL 90 Ca 0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1oiw s VAL 90 Cb -0.16 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1oiw s VAL 90 CO 0.16 0.26 0.16 -0.72 0.00 0.00 0.00 175.10 174.96 1oiw s TYR 91 N -1.28 0.67 -0.35 5.22 1.13 -0.47 -4.06 117.35 118.21 1oiw s TYR 91 Ca 0.26 -1.04 -0.11 0.00 -1.41 0.00 0.00 57.07 54.77 1oiw s TYR 91 Cb -0.12 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 1oiw s TYR 91 CO 0.18 -0.62 0.20 0.34 -2.51 0.00 0.00 175.55 173.14 1oiw s ASP 92 N -3.02 5.76 0.62 -0.18 3.68 -1.26 -0.97 116.67 121.30 1oiw s ASP 92 Ca 0.22 -0.73 0.30 0.00 2.13 0.00 0.00 52.55 54.46 1oiw s ASP 92 Cb 0.06 -2.05 1.65 0.00 -1.45 0.00 0.00 42.92 41.12 1oiw s ASP 92 CO 0.02 -0.30 1.99 0.16 0.13 0.00 0.00 175.17 177.17 1oiw h ILE 93 N 5.71 0.25 0.00 4.11 3.07 -1.75 0.60 117.51 129.50 1oiw h ILE 93 Ca -0.29 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1oiw h ILE 93 Cb 1.13 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 1oiw h ILE 93 CO 0.65 0.00 -0.36 0.00 -1.05 0.00 0.00 178.15 177.39 1oiw n ALA 94 N -2.17 2.99 -3.91 0.16 0.00 -1.26 0.33 120.51 116.65 1oiw n ALA 94 Ca 0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 1oiw n ALA 94 Cb 0.43 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 1oiw n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oiw s LYS 95 N -3.05 1.22 0.42 0.00 1.02 0.20 -4.49 119.74 115.07 1oiw s LYS 95 Ca 0.11 -1.62 0.16 0.00 0.02 0.00 0.00 55.97 54.63 1oiw s LYS 95 Cb 0.17 -2.75 1.05 0.00 -0.52 0.00 0.00 37.83 35.77 1oiw s LYS 95 CO 0.65 -0.97 1.91 1.25 -0.92 0.00 0.00 175.35 177.28 1oiw h HIS 96 N 7.72 0.50 -0.89 3.18 -0.00 -1.82 -1.88 115.15 121.95 1oiw h HIS 96 Ca -0.07 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1oiw h HIS 96 Cb 1.01 -0.16 -0.07 0.00 -0.00 0.00 0.00 27.41 28.20 1oiw h HIS 96 CO 0.43 0.19 0.55 1.25 -0.00 0.00 0.00 177.93 180.34 1oiw h LEU 97 N 0.42 0.84 -1.70 0.26 6.46 -1.94 0.37 115.31 120.02 1oiw h LEU 97 Ca 0.38 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.14 1oiw h LEU 97 Cb 0.86 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1oiw h LEU 97 CO -0.12 0.51 -0.14 0.71 -0.62 0.00 0.00 178.44 178.78 1oiw h THR 98 N 0.96 0.49 0.22 1.05 1.35 -1.65 -1.61 112.91 113.72 1oiw h THR 98 Ca 0.41 -0.68 -0.33 0.00 -0.55 0.00 0.00 66.41 65.26 1oiw h THR 98 Cb 0.26 1.46 0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1oiw h THR 98 CO -0.20 0.13 -1.46 0.22 -0.25 0.00 0.00 175.52 173.96 1oiw h TYR 99 N 0.00 0.85 -0.58 4.73 3.20 -1.04 -3.28 116.97 120.85 1oiw h TYR 99 Ca -0.00 -0.62 -0.02 0.00 3.14 0.00 0.00 58.73 61.22 1oiw h TYR 99 Cb 0.45 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1oiw h TYR 99 CO 0.00 1.51 0.27 0.93 -1.64 0.00 0.00 178.16 179.23 1oiw h GLU 100 N 0.13 0.83 0.00 1.82 5.08 -0.58 -2.39 114.58 119.47 1oiw h GLU 100 Ca -0.24 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1oiw h GLU 100 Cb 2.12 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1oiw h GLU 100 CO 0.25 0.65 0.00 0.09 -1.00 0.00 0.00 179.01 179.01 1oiw n ASN 101 N -4.35 0.00 -0.14 1.42 3.02 -0.65 -3.46 115.26 111.11 1oiw n ASN 101 Ca 0.05 0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.85 1oiw n ASN 101 Cb 0.14 -0.34 0.47 0.00 -0.61 0.00 0.00 39.78 39.43 1oiw n ASN 101 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1oiw h VAL 102 N 0.00 0.88 -0.97 2.41 2.07 -1.49 0.01 116.25 119.15 1oiw h VAL 102 Ca 0.00 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1oiw h VAL 102 Cb 0.23 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1oiw h VAL 102 CO 0.00 0.09 0.63 -0.33 0.02 0.00 0.00 177.57 177.98 1oiw h GLU 103 N 0.49 1.29 -0.20 1.57 4.39 -1.78 -0.11 114.58 120.23 1oiw h GLU 103 Ca 0.32 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.84 1oiw h GLU 103 Cb 0.59 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1oiw h GLU 103 CO -0.10 0.87 -0.29 -0.09 -1.16 0.00 0.00 179.01 178.23 1oiw h ARG 104 N 1.33 0.39 -0.06 2.33 2.43 -1.26 -1.89 114.38 117.65 1oiw h ARG 104 Ca 0.36 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 59.19 1oiw h ARG 104 Cb -0.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1oiw h ARG 104 CO -0.07 0.65 -0.76 -1.49 -1.51 0.00 0.00 179.97 176.78 1oiw h TRP 105 N 0.34 0.48 -0.52 2.20 4.06 -0.79 -1.79 115.95 119.92 1oiw h TRP 105 Ca 0.05 -0.22 -0.07 0.00 2.06 0.00 0.00 58.89 60.71 1oiw h TRP 105 Cb 0.69 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.76 1oiw h TRP 105 CO 0.02 0.98 0.04 -0.07 -3.56 0.00 0.00 178.44 175.85 1oiw h LEU 106 N 0.23 0.81 -0.81 -4.49 3.38 -0.75 0.17 115.31 113.84 1oiw h LEU 106 Ca -0.03 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1oiw h LEU 106 Cb 1.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1oiw h LEU 106 CO 0.13 0.84 -0.14 0.50 0.09 0.00 0.00 178.44 179.86 1oiw h LYS 107 N 0.80 0.74 -0.40 1.13 3.64 -1.20 -0.41 116.57 120.88 1oiw h LYS 107 Ca 0.16 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1oiw h LYS 107 Cb 0.41 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1oiw h LYS 107 CO 0.01 0.85 -0.20 1.49 -2.27 0.00 0.00 179.45 179.34 1oiw h GLU 108 N 0.67 0.76 -0.42 1.90 4.81 -0.47 -1.76 114.58 120.07 1oiw h GLU 108 Ca 0.11 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1oiw h GLU 108 Cb 0.62 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1oiw h GLU 108 CO 0.04 0.90 -0.13 -0.07 -0.73 0.00 0.00 179.01 179.02 1oiw h LEU 109 N 0.67 0.85 -1.02 1.64 3.38 -0.58 -0.83 115.31 119.42 1oiw h LEU 109 Ca 0.10 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1oiw h LEU 109 Cb 0.69 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1oiw h LEU 109 CO 0.05 1.03 0.65 0.03 0.09 0.00 0.00 178.44 180.29 1oiw h ARG 110 N 0.66 1.30 0.00 1.13 3.08 -0.89 0.30 114.38 119.96 1oiw h ARG 110 Ca 0.10 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1oiw h ARG 110 Cb 0.68 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1oiw h ARG 110 CO 0.05 0.86 -1.08 -0.44 -1.07 0.00 0.00 179.97 178.30 1oiw h ASP 111 N 1.34 0.00 -0.00 7.04 3.32 -1.20 -3.40 116.42 123.51 1oiw h ASP 111 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1oiw h ASP 111 Cb -0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1oiw h ASP 111 CO -0.08 0.87 -0.10 1.41 -1.72 0.00 0.00 179.24 179.62 1oiw n HIS 112 N -3.23 0.00 -4.41 4.55 8.25 -0.33 -5.02 115.22 115.03 1oiw n HIS 112 Ca -0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1oiw n HIS 112 Cb 0.92 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.93 1oiw n HIS 112 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oiw s ALA 113 N -1.12 2.77 0.29 -1.41 0.00 0.10 -4.57 121.76 117.83 1oiw s ALA 113 Ca 0.01 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 49.95 1oiw s ALA 113 Cb 0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 23.12 22.60 1oiw s ALA 113 CO 0.09 0.34 1.29 -0.25 0.00 0.00 0.00 175.76 177.24 1oiw n ASP 114 N -0.33 2.50 0.29 0.00 8.00 -1.26 -4.68 116.55 121.06 1oiw n ASP 114 Ca -0.08 1.18 0.18 0.00 0.71 0.00 0.00 54.79 56.78 1oiw n ASP 114 Cb 0.58 -1.42 0.98 0.00 -0.02 0.00 0.00 41.12 41.23 1oiw n ASP 114 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1oiw h SER 115 N 3.13 0.00 -0.36 -2.24 4.64 -1.90 -2.07 113.55 114.75 1oiw h SER 115 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1oiw h SER 115 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1oiw h SER 115 CO 0.68 0.00 0.01 0.59 -0.87 0.00 0.00 176.83 177.24 1oiw n ASN 116 N -2.82 4.32 -4.76 4.97 3.02 -1.26 -5.01 115.26 113.72 1oiw n ASN 116 Ca -0.02 -3.05 -0.38 0.00 -0.03 0.00 0.00 54.58 51.10 1oiw n ASN 116 Cb 0.13 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 38.72 1oiw n ASN 116 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1oiw s ILE 117 N -2.85 2.49 -0.34 2.41 2.07 -0.78 -4.94 121.20 119.26 1oiw s ILE 117 Ca 0.46 0.39 -0.24 0.00 -1.41 0.00 0.00 60.65 59.85 1oiw s ILE 117 Cb 0.37 -3.21 0.01 0.00 0.13 0.00 0.00 42.46 39.75 1oiw s ILE 117 CO 0.10 0.02 0.83 -0.69 -1.91 0.00 0.00 174.94 173.29 1oiw s VAL 118 N -1.35 4.71 -0.21 4.00 1.01 -0.69 -4.95 120.40 122.92 1oiw s VAL 118 Ca 0.65 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 1oiw s VAL 118 Cb -0.37 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 1oiw s VAL 118 CO 0.45 -0.39 0.03 -0.63 0.00 0.00 0.00 175.10 174.57 1oiw s ILE 119 N 3.15 4.25 -0.21 2.22 1.01 -1.26 -0.89 121.20 129.48 1oiw s ILE 119 Ca 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 1oiw s ILE 119 Cb -0.13 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1oiw s ILE 119 CO 0.16 0.41 -0.08 -0.32 0.00 0.00 0.00 174.94 175.10 1oiw s MET 120 N 1.02 3.28 -0.08 2.79 1.75 -0.10 -1.81 119.30 126.15 1oiw s MET 120 Ca 0.03 -0.68 -0.29 0.00 -1.25 0.00 0.00 55.69 53.50 1oiw s MET 120 Cb -0.14 -2.89 -0.02 0.00 2.84 0.00 0.00 34.83 34.61 1oiw s MET 120 CO 0.02 -0.20 0.97 -1.17 -0.65 0.00 0.00 175.02 174.00 1oiw s LEU 121 N 1.42 4.28 -0.24 4.11 2.96 0.41 -1.23 118.68 130.38 1oiw s LEU 121 Ca 0.05 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 55.51 1oiw s LEU 121 Cb -0.14 -3.51 0.05 0.00 0.50 0.00 0.00 46.19 43.09 1oiw s LEU 121 CO -0.06 -0.37 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.78 1oiw s VAL 122 N 1.68 2.12 -0.64 1.68 1.01 0.10 -1.79 120.40 124.55 1oiw s VAL 122 Ca 0.48 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1oiw s VAL 122 Cb -0.19 -2.17 0.07 0.00 0.00 0.00 0.00 36.38 34.09 1oiw s VAL 122 CO 0.20 0.08 0.94 -0.83 0.00 0.00 0.00 175.10 175.49 1oiw s GLY 123 N 1.15 1.40 0.56 4.51 0.00 -0.23 -1.37 107.32 113.35 1oiw s GLY 123 Ca -0.06 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 42.87 1oiw s GLY 123 CO -0.07 2.02 0.80 0.21 0.00 0.00 0.00 173.10 176.06 1oiw s ASN 124 N 3.57 5.23 -0.45 1.64 2.47 -0.14 -0.13 114.94 127.12 1oiw s ASN 124 Ca 0.22 0.02 -0.03 0.00 0.42 0.00 0.00 52.86 53.49 1oiw s ASN 124 Cb -0.17 -0.88 0.00 0.00 -1.45 0.00 0.00 41.25 38.76 1oiw s ASN 124 CO 0.11 -1.19 0.39 0.29 -3.72 0.00 0.00 177.10 172.98 1oiw n LYS 125 N -2.39 -2.64 -0.01 0.43 5.02 -0.44 -2.23 118.16 115.89 1oiw n LYS 125 Ca 0.08 0.28 0.18 0.00 -2.02 0.00 0.00 58.31 56.83 1oiw n LYS 125 Cb 0.60 -3.64 0.64 0.00 -0.02 0.00 0.00 35.03 32.62 1oiw n LYS 125 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1oiw h SER 126 N -0.90 0.09 0.28 4.39 4.64 -0.53 -1.60 113.55 119.92 1oiw h SER 126 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1oiw h SER 126 Cb 1.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1oiw h SER 126 CO 0.19 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.29 1oiw n ASP 127 N -4.41 0.03 -1.87 4.97 5.68 -1.26 -1.56 116.55 118.12 1oiw n ASP 127 Ca 0.09 0.51 -0.12 0.00 -0.50 0.00 0.00 54.79 54.77 1oiw n ASP 127 Cb 0.54 -0.52 0.23 0.00 -1.14 0.00 0.00 41.12 40.24 1oiw n ASP 127 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1oiw n LEU 128 N -1.54 5.87 -0.19 -2.12 4.77 -0.60 -4.64 117.00 118.56 1oiw n LEU 128 Ca 0.02 -3.48 0.30 0.00 -0.03 0.00 0.00 56.01 52.82 1oiw n LEU 128 Cb 0.10 -0.75 0.69 0.00 -2.33 0.00 0.00 43.42 41.12 1oiw n LEU 128 CO 0.08 0.99 1.27 -0.09 -1.33 0.00 0.00 177.39 178.31 1oiw h ARG 129 N 1.63 0.00 0.00 3.23 2.43 -1.47 1.13 114.38 121.33 1oiw h ARG 129 Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1oiw h ARG 129 Cb 2.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.93 1oiw h ARG 129 CO 0.80 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.98 1oiw n HIS 130 N -3.81 0.29 0.09 2.20 8.25 -1.26 -2.92 115.22 118.04 1oiw n HIS 130 Ca 0.20 0.08 0.04 0.00 -0.26 0.00 0.00 57.72 57.79 1oiw n HIS 130 Cb 1.15 -0.64 0.08 0.00 1.12 0.00 0.00 29.99 31.71 1oiw n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1oiw n LEU 131 N -1.74 2.29 -4.55 2.41 4.77 0.39 -5.05 117.00 115.52 1oiw n LEU 131 Ca 0.06 -1.56 -0.59 0.00 -0.03 0.00 0.00 56.01 53.90 1oiw n LEU 131 Cb 0.36 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1oiw n LEU 131 CO 0.28 0.53 0.72 -1.14 -1.33 0.00 0.00 177.39 176.45 1oiw n ARG 132 N 0.39 0.22 -0.00 3.23 0.63 -0.88 -4.59 116.66 115.65 1oiw n ARG 132 Ca 0.07 0.08 0.03 0.00 -0.92 0.00 0.00 57.85 57.11 1oiw n ARG 132 Cb 0.31 -1.61 -0.04 0.00 0.45 0.00 0.00 32.46 31.58 1oiw n ARG 132 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1oiw n ALA 133 N 2.09 2.32 -3.97 5.13 0.00 0.15 -4.91 120.51 121.32 1oiw n ALA 133 Ca 0.21 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 1oiw n ALA 133 Cb 0.08 -0.18 -0.14 0.00 0.00 0.00 0.00 19.45 19.20 1oiw n ALA 133 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1oiw s VAL 134 N -2.14 2.44 0.28 0.00 1.01 -0.75 -4.75 120.40 116.49 1oiw s VAL 134 Ca -0.01 -1.98 -0.30 0.00 0.00 0.00 0.00 61.98 59.69 1oiw s VAL 134 Cb 0.04 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 33.68 1oiw s VAL 134 CO 0.22 -0.37 1.60 -2.16 0.00 0.00 0.00 175.10 174.39 1oiw s PRO 135 N 1.03 4.13 0.21 2.72 0.04 -1.26 -4.90 135.00 136.96 1oiw s PRO 135 Ca 0.02 2.57 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 1oiw s PRO 135 Cb -0.20 -3.03 0.28 0.00 0.04 0.00 0.00 34.50 31.59 1oiw s PRO 135 CO -0.06 -0.64 1.70 1.15 0.04 0.00 0.00 177.00 179.20 1oiw h THR 136 N 3.44 0.64 -0.85 1.26 2.02 -2.00 -2.19 112.91 115.24 1oiw h THR 136 Ca -0.47 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1oiw h THR 136 Cb 1.22 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1oiw h THR 136 CO 0.81 0.04 0.56 -2.24 0.37 0.00 0.00 175.52 175.06 1oiw h ASP 137 N 0.24 0.96 -0.48 4.18 2.03 -1.99 -0.21 116.42 121.16 1oiw h ASP 137 Ca 0.30 -0.02 -0.10 0.00 -0.73 0.00 0.00 57.03 56.48 1oiw h ASP 137 Cb 0.45 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 1oiw h ASP 137 CO -0.40 0.69 -0.09 -0.08 -1.03 0.00 0.00 179.24 178.32 1oiw h GLU 138 N 1.13 0.91 -0.33 4.15 4.81 -1.79 -0.92 114.58 122.54 1oiw h GLU 138 Ca 0.32 -0.34 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1oiw h GLU 138 Cb -0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1oiw h GLU 138 CO -0.07 0.99 -0.27 0.00 -0.73 0.00 0.00 179.01 178.93 1oiw h ALA 139 N 0.89 0.47 -0.70 2.92 0.00 -1.07 -1.16 119.26 120.61 1oiw h ALA 139 Ca 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1oiw h ALA 139 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1oiw h ALA 139 CO 0.04 0.48 0.38 -0.09 0.00 0.00 0.00 179.25 180.06 1oiw h ARG 140 N 0.53 0.98 -0.51 0.00 2.43 -0.98 0.13 114.38 116.96 1oiw h ARG 140 Ca 0.06 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1oiw h ARG 140 Cb 0.83 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1oiw h ARG 140 CO 0.07 0.74 0.13 0.00 -1.51 0.00 0.00 179.97 179.40 1oiw h ALA 141 N 1.19 0.68 -0.53 2.80 0.00 -1.06 -1.67 119.26 120.66 1oiw h ALA 141 Ca 0.25 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1oiw h ALA 141 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1oiw h ALA 141 CO -0.04 0.37 0.30 0.35 0.00 0.00 0.00 179.25 180.22 1oiw h PHE 142 N 0.71 0.55 -0.86 0.00 3.57 -0.59 -0.93 116.94 119.39 1oiw h PHE 142 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1oiw h PHE 142 Cb 0.33 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1oiw h PHE 142 CO 0.02 0.29 0.57 0.00 -2.23 0.00 0.00 178.31 176.96 1oiw h ALA 143 N 1.26 1.40 0.84 2.41 0.00 -0.69 -2.36 119.26 122.12 1oiw h ALA 143 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1oiw h ALA 143 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1oiw h ALA 143 CO -0.13 0.55 -0.48 1.49 0.00 0.00 0.00 179.25 180.67 1oiw h GLU 144 N 1.15 -1.18 -0.19 0.00 4.57 -0.27 0.24 114.58 118.89 1oiw h GLU 144 Ca 0.32 0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.64 1oiw h GLU 144 Cb -0.10 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1oiw h GLU 144 CO -0.08 -0.79 0.22 0.87 -1.18 0.00 0.00 179.01 178.05 1oiw h LYS 145 N -1.23 0.00 -0.49 1.92 1.57 -1.02 -1.72 116.57 115.60 1oiw h LYS 145 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1oiw h LYS 145 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1oiw h LYS 145 CO 0.14 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.11 1oiw n ASN 146 N -3.77 3.99 -3.60 0.86 4.13 -0.91 -4.99 115.26 110.97 1oiw n ASN 146 Ca 0.02 -2.39 -0.22 0.00 1.68 0.00 0.00 54.58 53.67 1oiw n ASN 146 Cb 0.34 -0.46 0.05 0.00 -1.54 0.00 0.00 39.78 38.17 1oiw n ASN 146 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oiw n GLY 147 N 0.67 -0.59 3.23 7.41 0.00 -0.65 -5.01 105.19 110.24 1oiw n GLY 147 Ca 0.21 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 1oiw n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oiw s LEU 148 N -6.38 2.38 0.68 0.99 1.43 0.00 -4.84 118.68 112.94 1oiw s LEU 148 Ca 0.18 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1oiw s LEU 148 Cb -0.05 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 1oiw s LEU 148 CO 0.80 -0.13 1.07 -0.44 0.23 0.00 0.00 176.35 177.89 1oiw s SER 149 N -2.30 5.65 -0.05 2.29 0.01 -0.75 -4.39 113.70 114.16 1oiw s SER 149 Ca 0.07 1.28 -0.06 0.00 1.31 0.00 0.00 55.95 58.54 1oiw s SER 149 Cb -0.06 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1oiw s SER 149 CO 0.03 -1.23 0.17 0.12 0.41 0.00 0.00 173.24 172.74 1oiw s PHE 150 N -3.26 -0.14 -0.20 2.43 5.36 -1.26 -0.45 117.98 120.46 1oiw s PHE 150 Ca 0.57 0.33 -0.27 0.00 -0.96 0.00 0.00 56.93 56.60 1oiw s PHE 150 Cb -0.11 0.04 0.09 0.00 -0.34 0.00 0.00 43.02 42.70 1oiw s PHE 150 CO 0.53 -0.14 0.83 -1.50 -1.46 0.00 0.00 175.22 173.48 1oiw s ILE 151 N -0.25 0.00 -0.12 3.12 2.07 -0.74 -4.96 121.20 120.32 1oiw s ILE 151 Ca -0.03 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1oiw s ILE 151 Cb -0.03 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 1oiw s ILE 151 CO 0.01 0.00 0.07 -1.61 -1.91 0.00 0.00 174.94 171.49 1oiw s GLU 152 N -0.27 3.38 0.34 3.50 2.02 -1.26 -1.07 118.70 125.33 1oiw s GLU 152 Ca -0.02 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.72 1oiw s GLU 152 Cb -0.03 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1oiw s GLU 152 CO 0.02 0.64 0.16 0.95 0.02 0.00 0.00 175.26 177.04 1oiw s THR 153 N -0.66 0.41 -0.26 3.63 -4.23 0.81 -4.70 115.64 110.63 1oiw s THR 153 Ca 0.12 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1oiw s THR 153 Cb -0.12 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.38 1oiw s THR 153 CO 0.02 0.00 0.34 -0.55 -0.54 0.00 0.00 174.62 173.90 1oiw s SER 154 N -3.45 0.78 0.41 3.99 0.15 -0.61 0.15 113.70 115.13 1oiw s SER 154 Ca 0.33 -0.21 0.20 0.00 0.70 0.00 0.00 55.95 56.98 1oiw s SER 154 Cb 0.04 0.86 0.87 0.00 -1.71 0.00 0.00 66.02 66.09 1oiw s SER 154 CO 0.18 -0.34 1.83 0.00 1.20 0.00 0.00 173.24 176.11 1oiw h ALA 155 N 8.22 1.11 0.52 5.45 0.00 -1.91 0.22 119.26 132.87 1oiw h ALA 155 Ca -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1oiw h ALA 155 Cb 1.13 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1oiw h ALA 155 CO 0.29 0.38 -0.25 1.25 0.00 0.00 0.00 179.25 180.92 1oiw h LEU 156 N 0.00 -0.59 -0.73 0.00 6.46 -1.94 -3.24 115.31 115.27 1oiw h LEU 156 Ca -0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1oiw h LEU 156 Cb 0.73 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1oiw h LEU 156 CO 0.04 -0.30 0.00 -0.90 -0.62 0.00 0.00 178.44 176.66 1oiw n ASP 157 N -4.55 1.14 0.00 1.25 5.68 -1.23 -4.93 116.55 113.90 1oiw n ASP 157 Ca -0.09 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1oiw n ASP 157 Cb 0.27 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1oiw n ASP 157 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1oiw n SER 158 N -0.10 -0.82 -4.66 -1.12 2.88 0.71 -5.00 113.62 105.49 1oiw n SER 158 Ca 0.20 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.31 1oiw n SER 158 Cb 0.29 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1oiw n SER 158 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1oiw n THR 159 N -2.27 0.72 -0.82 2.46 -1.04 -0.75 -3.02 114.28 109.56 1oiw n THR 159 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1oiw n THR 159 Cb 0.00 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.23 1oiw n THR 159 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1oiw n ASN 160 N 7.73 -1.84 0.29 8.00 3.02 -1.26 -1.57 115.26 129.63 1oiw n ASN 160 Ca 0.21 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.60 1oiw n ASN 160 Cb 0.39 -1.78 -0.08 0.00 -0.61 0.00 0.00 39.78 37.70 1oiw n ASN 160 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1oiw h VAL 161 N 0.00 0.49 -0.75 2.41 2.07 -1.83 0.44 116.25 119.08 1oiw h VAL 161 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1oiw h VAL 161 Cb 0.23 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1oiw h VAL 161 CO 0.00 0.00 0.45 -0.33 0.02 0.00 0.00 177.57 177.71 1oiw h GLU 162 N -0.69 1.02 -0.44 1.57 4.39 -1.91 -2.46 114.58 116.06 1oiw h GLU 162 Ca -0.07 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1oiw h GLU 162 Cb 0.53 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1oiw h GLU 162 CO 0.11 0.72 -0.04 0.00 -1.16 0.00 0.00 179.01 178.65 1oiw h ALA 163 N 1.45 1.11 0.15 3.43 0.00 -1.89 0.21 119.26 123.73 1oiw h ALA 163 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1oiw h ALA 163 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1oiw h ALA 163 CO -0.05 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 1oiw h ALA 164 N 1.27 -0.20 -0.34 0.00 0.00 -0.45 -0.23 119.26 119.31 1oiw h ALA 164 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1oiw h ALA 164 Cb 0.48 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1oiw h ALA 164 CO 0.02 -0.49 -0.05 0.74 0.00 0.00 0.00 179.25 179.47 1oiw h PHE 165 N -0.44 0.70 -0.38 0.00 -1.00 -1.44 -2.06 116.94 112.31 1oiw h PHE 165 Ca -0.02 -0.14 0.04 0.00 2.81 0.00 0.00 57.97 60.66 1oiw h PHE 165 Cb 0.35 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 1oiw h PHE 165 CO 0.01 0.78 0.15 1.96 -1.61 0.00 0.00 178.31 179.59 1oiw h GLN 166 N 0.42 0.30 -0.38 1.51 1.08 -0.98 -1.56 115.11 115.51 1oiw h GLN 166 Ca 0.09 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1oiw h GLN 166 Cb 0.54 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1oiw h GLN 166 CO 0.03 0.20 0.16 1.15 -0.95 0.00 0.00 178.83 179.42 1oiw h THR 167 N 0.31 1.18 -0.51 -0.54 2.02 -0.92 -1.29 112.91 113.17 1oiw h THR 167 Ca 0.17 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1oiw h THR 167 Cb 0.14 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1oiw h THR 167 CO -0.17 0.20 0.11 -0.29 0.37 0.00 0.00 175.52 175.74 1oiw h ILE 168 N 0.46 1.24 -0.57 3.11 2.10 -1.13 0.46 117.51 123.18 1oiw h ILE 168 Ca 0.13 -0.89 -0.03 0.00 1.08 0.00 0.00 64.86 65.15 1oiw h ILE 168 Cb 0.16 0.85 -0.03 0.00 -1.09 0.00 0.00 36.82 36.71 1oiw h ILE 168 CO -0.01 0.32 0.25 -0.07 -1.08 0.00 0.00 178.15 177.56 1oiw h LEU 169 N 0.71 0.77 -0.63 2.19 3.38 -1.21 0.16 115.31 120.67 1oiw h LEU 169 Ca 0.16 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1oiw h LEU 169 Cb 0.36 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1oiw h LEU 169 CO 0.01 0.70 0.23 0.74 0.09 0.00 0.00 178.44 180.21 1oiw h THR 170 N 0.78 1.24 -0.91 0.22 2.02 -0.98 0.18 112.91 115.46 1oiw h THR 170 Ca 0.19 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1oiw h THR 170 Cb 0.15 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1oiw h THR 170 CO -0.02 0.30 0.60 -0.33 0.37 0.00 0.00 175.52 176.44 1oiw h GLU 171 N 0.90 1.20 -0.50 6.66 5.08 -0.55 -2.54 114.58 124.82 1oiw h GLU 171 Ca 0.21 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1oiw h GLU 171 Cb 0.24 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1oiw h GLU 171 CO -0.01 0.79 0.11 0.82 -1.00 0.00 0.00 179.01 179.72 1oiw h ILE 172 N 1.23 1.24 0.00 3.13 2.04 -0.12 -3.51 117.51 121.53 1oiw h ILE 172 Ca 0.33 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1oiw h ILE 172 Cb -0.14 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1oiw h ILE 172 CO -0.07 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.39