#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o9a s LYS 18 N 0.00 3.29 0.07 -1.46 1.02 -1.26 -5.12 119.74 116.28 1o9a s LYS 18 Ca 0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1o9a s LYS 18 Cb 0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1o9a s LYS 18 CO 0.00 0.44 0.06 -0.35 -0.92 0.00 0.00 175.35 174.59 1o9a n PRO 19 N 2.91 -0.96 0.00 -1.68 -0.04 -1.26 -4.91 135.00 129.07 1o9a n PRO 19 Ca -0.18 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1o9a n PRO 19 Cb 0.53 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1o9a n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1o9a n GLY 20 N 2.45 -1.81 3.24 0.55 0.00 -1.26 -4.81 105.19 103.55 1o9a n GLY 20 Ca 0.01 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1o9a n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o9a s TYR 22 N -3.66 3.29 0.71 0.00 6.14 -1.26 -2.27 117.35 120.30 1o9a s TYR 22 Ca 0.23 -2.44 -0.08 0.00 0.64 0.00 0.00 57.07 55.42 1o9a s TYR 22 Cb 0.06 -2.14 0.05 0.00 0.42 0.00 0.00 41.96 40.35 1o9a s TYR 22 CO 0.03 -0.89 1.05 0.34 0.64 0.00 0.00 175.55 176.72 1o9a s ASP 23 N 1.09 4.96 -0.72 4.32 2.15 0.30 -4.84 116.67 123.92 1o9a s ASP 23 Ca -0.03 0.67 -0.12 0.00 0.43 0.00 0.00 52.55 53.49 1o9a s ASP 23 Cb -0.20 -1.36 -0.20 0.00 -0.30 0.00 0.00 42.92 40.86 1o9a s ASP 23 CO -0.06 -1.55 1.91 -3.20 -0.17 0.00 0.00 175.17 172.10 1o9a n ASN 24 N -2.97 -0.61 0.00 -0.34 5.15 -1.26 -1.07 115.26 114.15 1o9a n ASN 24 Ca 0.07 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1o9a n ASN 24 Cb 0.60 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1o9a n ASN 24 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o9a n GLY 25 N 5.59 2.92 3.66 8.20 0.00 -1.26 -4.99 105.19 119.31 1o9a n GLY 25 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 1o9a n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o9a s LYS 26 N 0.00 2.89 -0.14 1.61 2.47 -0.23 -5.11 119.74 121.23 1o9a s LYS 26 Ca 0.00 -0.47 -0.05 0.00 -1.56 0.00 0.00 55.97 53.89 1o9a s LYS 26 Cb 0.00 -2.72 -0.04 0.00 -1.46 0.00 0.00 37.83 33.61 1o9a s LYS 26 CO 0.00 0.68 0.05 -3.38 0.16 0.00 0.00 175.35 172.86 1o9a s HIS 27 N -0.90 3.26 0.25 4.03 -3.43 -1.26 0.11 115.29 117.35 1o9a s HIS 27 Ca 0.14 0.15 0.05 0.00 -0.80 0.00 0.00 55.06 54.61 1o9a s HIS 27 Cb -0.11 -1.95 -0.05 0.00 -1.43 0.00 0.00 32.58 29.04 1o9a s HIS 27 CO 0.03 0.34 -0.04 0.71 -2.00 0.00 0.00 174.74 173.78 1o9a s TYR 28 N -0.28 1.75 0.87 0.38 2.02 -0.96 -4.94 117.35 116.17 1o9a s TYR 28 Ca 0.08 -0.79 -0.12 0.00 -0.37 0.00 0.00 57.07 55.87 1o9a s TYR 28 Cb -0.12 -0.99 0.15 0.00 -0.40 0.00 0.00 41.96 40.59 1o9a s TYR 28 CO 0.02 0.14 1.21 -0.65 -1.57 0.00 0.00 175.55 174.70 1o9a s GLN 29 N -3.78 1.26 0.29 -0.62 -1.52 -1.26 -2.52 119.66 111.51 1o9a s GLN 29 Ca 0.28 -0.35 -0.29 0.00 -1.95 0.00 0.00 55.36 53.05 1o9a s GLN 29 Cb 0.04 -1.97 -0.10 0.00 -0.22 0.00 0.00 33.01 30.77 1o9a s GLN 29 CO 0.10 -1.97 1.23 0.42 -0.25 0.00 0.00 175.29 174.82 1o9a s ILE 30 N -3.65 3.07 0.00 1.08 1.01 -1.26 -2.37 121.20 119.08 1o9a s ILE 30 Ca 0.69 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1o9a s ILE 30 Cb -0.07 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1o9a s ILE 30 CO 0.50 0.24 0.00 0.59 0.00 0.00 0.00 174.94 176.27 1o9a n ASN 31 N 1.22 -3.20 -4.78 3.58 3.02 -1.14 -4.94 115.26 109.03 1o9a n ASN 31 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1o9a n ASN 31 Cb 0.43 -2.73 -0.06 0.00 -0.61 0.00 0.00 39.78 36.82 1o9a n ASN 31 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1o9a s GLN 32 N -1.38 4.49 0.19 3.52 0.74 -1.00 -4.67 119.66 121.56 1o9a s GLN 32 Ca 0.00 1.43 0.11 0.00 0.05 0.00 0.00 55.36 56.95 1o9a s GLN 32 Cb 0.00 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1o9a s GLN 32 CO 0.00 0.17 -0.24 -0.65 -0.55 0.00 0.00 175.29 174.02 1o9a s GLN 33 N -2.08 1.49 -0.13 1.67 1.11 -1.26 -3.42 119.66 117.05 1o9a s GLN 33 Ca 0.51 -1.50 -0.20 0.00 0.01 0.00 0.00 55.36 54.18 1o9a s GLN 33 Cb -0.21 -1.82 0.05 0.00 -1.01 0.00 0.00 33.01 30.02 1o9a s GLN 33 CO 0.27 0.40 0.51 1.67 0.01 0.00 0.00 175.29 178.14 1o9a s TRP 34 N -1.63 -0.51 0.07 0.91 -2.14 -0.94 -4.96 118.94 109.74 1o9a s TRP 34 Ca 0.20 1.10 -0.22 0.00 2.66 0.00 0.00 56.10 59.84 1o9a s TRP 34 Cb -0.08 0.22 -0.06 0.00 -3.10 0.00 0.00 33.47 30.44 1o9a s TRP 34 CO 0.09 -0.37 0.67 -1.21 -2.66 0.00 0.00 176.95 173.47 1o9a s GLU 35 N -0.37 4.38 -0.17 3.25 2.02 -1.26 -0.99 118.70 125.56 1o9a s GLU 35 Ca -0.05 0.91 -0.20 0.00 0.02 0.00 0.00 54.97 55.65 1o9a s GLU 35 Cb -0.03 -3.30 0.05 0.00 0.10 0.00 0.00 34.13 30.95 1o9a s GLU 35 CO 0.03 0.47 0.53 -0.98 0.02 0.00 0.00 175.26 175.34 1o9a s ARG 36 N -0.65 0.67 -0.08 1.61 1.70 -0.98 -4.99 118.95 116.25 1o9a s ARG 36 Ca 0.33 0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 56.10 1o9a s ARG 36 Cb -0.20 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 1o9a s ARG 36 CO 0.21 -0.11 0.26 0.99 -1.08 0.00 0.00 175.30 175.57 1o9a s THR 37 N -0.00 5.29 -0.15 4.99 2.01 -1.26 -0.68 115.64 125.84 1o9a s THR 37 Ca -0.02 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 1o9a s THR 37 Cb -0.04 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.97 1o9a s THR 37 CO 0.02 0.58 -0.04 -0.47 -0.69 0.00 0.00 174.62 174.02 1o9a s TYR 38 N -0.90 1.45 0.00 4.92 5.04 0.12 -4.81 117.35 123.15 1o9a s TYR 38 Ca 0.19 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 1o9a s TYR 38 Cb -0.14 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 40.97 1o9a s TYR 38 CO 0.08 -0.56 0.00 1.28 -1.34 0.00 0.00 175.55 175.01 1o9a n LEU 39 N 4.94 0.00 0.00 6.97 4.77 -1.26 -2.27 117.00 130.15 1o9a n LEU 39 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1o9a n LEU 39 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1o9a n LEU 39 CO 0.15 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1o9a n GLY 40 N 0.00 0.00 3.39 -0.72 0.00 -1.26 -5.14 105.19 101.46 1o9a n GLY 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1o9a n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o9a s ASN 41 N 0.00 3.97 -0.48 1.61 4.22 -0.96 -5.08 114.94 118.21 1o9a s ASN 41 Ca 0.00 -0.30 -0.24 0.00 -2.14 0.00 0.00 52.86 50.17 1o9a s ASN 41 Cb 0.00 -1.39 0.03 0.00 1.28 0.00 0.00 41.25 41.17 1o9a s ASN 41 CO 0.00 0.21 0.88 0.00 -2.04 0.00 0.00 177.10 176.16 1o9a s ALA 42 N 0.06 3.24 -0.08 3.54 0.00 -1.26 -0.71 121.76 126.55 1o9a s ALA 42 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1o9a s ALA 42 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1o9a s ALA 42 CO 0.04 -2.09 -0.09 -0.51 0.00 0.00 0.00 175.76 173.12 1o9a s LEU 43 N 3.65 3.05 -0.10 0.00 1.02 0.14 -0.66 118.68 125.78 1o9a s LEU 43 Ca 0.33 -0.09 -0.23 0.00 0.02 0.00 0.00 54.13 54.15 1o9a s LEU 43 Cb -0.11 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1o9a s LEU 43 CO 0.24 0.32 0.71 0.68 0.02 0.00 0.00 176.35 178.32 1o9a s VAL 44 N -0.57 5.01 0.05 -1.59 -7.23 0.16 -2.31 120.40 113.92 1o9a s VAL 44 Ca 0.08 1.44 -0.05 0.00 -1.81 0.00 0.00 61.98 61.64 1o9a s VAL 44 Cb -0.12 -4.04 -0.05 0.00 0.56 0.00 0.00 36.38 32.73 1o9a s VAL 44 CO 0.02 0.19 0.30 0.00 -0.31 0.00 0.00 175.10 175.30 1o9a n THR 46 N 0.74 0.00 -3.66 0.00 -2.24 -0.01 -2.21 114.28 106.91 1o9a n THR 46 Ca -0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1o9a n THR 46 Cb 0.52 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 68.02 1o9a n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o9a n TYR 48 N 3.59 0.00 0.00 0.00 4.01 -1.23 -2.87 117.16 120.66 1o9a n TYR 48 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1o9a n TYR 48 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1o9a n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o9a n GLY 49 N 1.71 3.78 0.24 2.72 0.00 -1.24 -4.78 105.19 107.63 1o9a n GLY 49 Ca 0.00 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.13 1o9a n GLY 49 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1o9a h GLY 50 N 0.00 0.00 0.27 -0.02 0.00 -1.57 0.30 103.07 102.05 1o9a h GLY 50 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1o9a h GLY 50 CO 0.00 0.00 -2.26 -1.26 0.00 0.00 0.00 176.54 173.02 1o9a n SER 51 N -2.56 1.63 -0.23 0.19 2.88 -1.26 -4.26 113.62 110.01 1o9a n SER 51 Ca -0.02 0.03 0.14 0.00 -1.33 0.00 0.00 58.87 57.69 1o9a n SER 51 Cb 0.14 -0.30 0.57 0.00 -0.75 0.00 0.00 64.21 63.86 1o9a n SER 51 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o9a n ARG 52 N -3.23 1.00 -0.75 -1.46 1.74 -0.65 -5.04 116.66 108.27 1o9a n ARG 52 Ca -0.37 -0.46 0.10 0.00 -0.77 0.00 0.00 57.85 56.35 1o9a n ARG 52 Cb 1.04 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 1o9a n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o9a n GLY 53 N 1.24 -1.42 3.15 -0.13 0.00 0.98 -4.79 105.19 104.22 1o9a n GLY 53 Ca 0.16 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 1o9a n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1o9a s PHE 54 N -1.14 1.23 -0.19 1.61 -0.71 -1.26 -3.46 117.98 114.06 1o9a s PHE 54 Ca 0.00 -0.36 -0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1o9a s PHE 54 Cb 0.00 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 41.04 1o9a s PHE 54 CO 0.00 0.04 0.08 1.21 -1.34 0.00 0.00 175.22 175.21 1o9a s ASN 55 N -1.19 5.78 -0.41 1.98 2.47 -1.26 -4.88 114.94 117.43 1o9a s ASN 55 Ca 0.01 0.12 -0.00 0.00 0.42 0.00 0.00 52.86 53.41 1o9a s ASN 55 Cb -0.08 -2.00 0.11 0.00 -1.45 0.00 0.00 41.25 37.84 1o9a s ASN 55 CO 0.01 0.18 0.18 0.00 -3.72 0.00 0.00 177.10 173.75 1o9a s GLU 57 N 0.88 3.04 0.42 0.00 -1.05 -0.92 -4.82 118.70 116.25 1o9a s GLU 57 Ca 0.10 -0.39 -0.22 0.00 -0.15 0.00 0.00 54.97 54.31 1o9a s GLU 57 Cb -0.22 -2.85 -0.13 0.00 -0.44 0.00 0.00 34.13 30.50 1o9a s GLU 57 CO -0.05 0.70 0.51 0.45 0.95 0.00 0.00 175.26 177.82 1o9a n SER 58 N 1.92 -1.02 -4.88 0.83 2.88 -1.26 -0.67 113.62 111.42 1o9a n SER 58 Ca -0.18 0.90 -0.32 0.00 -1.33 0.00 0.00 58.87 57.94 1o9a n SER 58 Cb 0.54 -1.10 -0.05 0.00 -0.75 0.00 0.00 64.21 62.85 1o9a n SER 58 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1o9a s LYS 59 N -1.54 3.74 -0.42 -1.46 -2.85 0.17 -4.63 119.74 112.75 1o9a s LYS 59 Ca 0.63 0.16 -0.28 0.00 -1.00 0.00 0.00 55.97 55.48 1o9a s LYS 59 Cb -0.61 -2.75 -0.03 0.00 -2.06 0.00 0.00 37.83 32.39 1o9a s LYS 59 CO 0.58 0.39 1.91 -1.25 0.10 0.00 0.00 175.35 177.08 1o9a s PRO 60 N -2.67 2.99 0.53 1.78 0.04 -1.26 -4.95 135.00 131.45 1o9a s PRO 60 Ca 0.44 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 1o9a s PRO 60 Cb -0.12 -4.31 0.13 0.00 0.04 0.00 0.00 34.50 30.25 1o9a s PRO 60 CO 0.22 -2.28 0.43 0.39 0.04 0.00 0.00 177.00 175.80 1o9a n GLU 61 N 8.73 -2.19 0.00 4.56 1.02 -1.26 -5.04 120.64 126.46 1o9a n GLU 61 Ca 0.24 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 1o9a n GLU 61 Cb 0.49 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 1o9a n GLU 61 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1o9a n ALA 62 N -3.86 2.80 -2.72 0.62 0.00 -1.26 -4.90 120.51 111.18 1o9a n ALA 62 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 1o9a n ALA 62 Cb 0.24 0.16 0.01 0.00 0.00 0.00 0.00 19.45 19.86 1o9a n ALA 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1o9a n GLU 63 N -2.49 4.95 -1.56 0.00 1.02 -1.26 -5.04 120.64 116.26 1o9a n GLU 63 Ca 0.00 -4.71 -0.33 0.00 -0.02 0.00 0.00 57.16 52.11 1o9a n GLU 63 Cb 0.16 -2.42 0.07 0.00 -0.02 0.00 0.00 31.44 29.23 1o9a n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1o9a s GLU 64 N -4.10 2.50 0.31 3.49 2.02 -1.26 -4.99 118.70 116.67 1o9a s GLU 64 Ca 0.41 1.42 -0.04 0.00 0.02 0.00 0.00 54.97 56.77 1o9a s GLU 64 Cb 0.20 -1.91 -0.00 0.00 0.10 0.00 0.00 34.13 32.52 1o9a s GLU 64 CO -0.12 -1.49 0.44 0.95 0.02 0.00 0.00 175.26 175.06 1o9a s THR 65 N -2.40 0.00 -0.09 3.63 -4.23 -1.26 -2.95 115.64 108.34 1o9a s THR 65 Ca 0.67 -1.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1o9a s THR 65 Cb -0.21 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.14 1o9a s THR 65 CO 0.46 0.00 0.18 0.00 -0.54 0.00 0.00 174.62 174.72 1o9a s PHE 67 N 1.61 3.60 -0.32 0.00 5.36 -1.26 -1.22 117.98 125.75 1o9a s PHE 67 Ca -0.05 0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 56.40 1o9a s PHE 67 Cb -0.11 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 1o9a s PHE 67 CO -0.07 0.70 0.09 0.34 -1.46 0.00 0.00 175.22 174.81 1o9a s ASP 68 N -1.32 5.21 0.00 6.13 2.15 -0.41 -4.94 116.67 123.49 1o9a s ASP 68 Ca 0.20 -1.06 0.20 0.00 0.43 0.00 0.00 52.55 52.32 1o9a s ASP 68 Cb -0.13 -1.85 1.19 0.00 -0.30 0.00 0.00 42.92 41.84 1o9a s ASP 68 CO 0.09 -0.29 1.75 0.29 -0.17 0.00 0.00 175.17 176.84 1o9a n LYS 69 N 4.80 0.97 -0.00 4.34 4.01 -1.26 0.08 118.16 131.09 1o9a n LYS 69 Ca -0.13 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.61 1o9a n LYS 69 Cb 0.45 -1.32 -0.12 0.00 -0.51 0.00 0.00 35.03 33.53 1o9a n LYS 69 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1o9a n TYR 70 N -0.82 0.99 0.00 2.13 4.02 -1.26 -4.45 117.16 117.76 1o9a n TYR 70 Ca 0.15 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.39 1o9a n TYR 70 Cb 0.07 -1.15 0.00 0.00 -0.02 0.00 0.00 39.34 38.23 1o9a n TYR 70 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1o9a n THR 71 N -2.99 0.00 -1.80 -0.72 -2.24 -1.16 -5.03 114.28 100.34 1o9a n THR 71 Ca -0.15 -0.21 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1o9a n THR 71 Cb 0.98 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.93 1o9a n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o9a n GLY 72 N 1.19 0.34 3.53 3.38 0.00 0.11 -5.05 105.19 108.70 1o9a n GLY 72 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1o9a n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o9a s ASN 73 N -2.87 4.02 0.01 1.61 0.01 -1.16 -4.95 114.94 111.60 1o9a s ASN 73 Ca 0.00 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 51.53 1o9a s ASN 73 Cb 0.00 -0.59 -0.03 0.00 0.41 0.00 0.00 41.25 41.04 1o9a s ASN 73 CO 0.00 0.11 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.75 1o9a s THR 74 N -1.65 3.64 0.22 1.60 2.01 -1.26 -1.29 115.64 118.90 1o9a s THR 74 Ca 0.23 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1o9a s THR 74 Cb -0.09 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1o9a s THR 74 CO 0.13 0.38 0.00 -0.31 -0.69 0.00 0.00 174.62 174.14 1o9a s TYR 75 N -1.01 1.45 0.42 4.92 1.51 -0.35 -4.99 117.35 119.30 1o9a s TYR 75 Ca 0.17 -0.97 0.07 0.00 -1.01 0.00 0.00 57.07 55.33 1o9a s TYR 75 Cb -0.11 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 1o9a s TYR 75 CO 0.08 -0.11 0.19 0.50 -1.11 0.00 0.00 175.55 175.10 1o9a s ARG 76 N -3.89 2.23 -0.14 -0.62 6.06 -1.26 -0.54 118.95 120.79 1o9a s ARG 76 Ca 0.28 -1.86 -0.29 0.00 -2.50 0.00 0.00 55.73 51.36 1o9a s ARG 76 Cb 0.06 -1.99 -0.04 0.00 0.06 0.00 0.00 34.95 33.04 1o9a s ARG 76 CO 0.08 -0.15 1.71 0.08 -2.50 0.00 0.00 175.30 174.52 1o9a s VAL 77 N -2.61 3.54 0.00 7.11 1.01 -1.15 -2.30 120.40 125.99 1o9a s VAL 77 Ca 0.40 0.63 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1o9a s VAL 77 Cb 0.03 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1o9a s VAL 77 CO 0.22 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1o9a n GLY 78 N 4.56 0.82 3.83 4.51 0.00 -0.51 -4.95 105.19 113.45 1o9a n GLY 78 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1o9a n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o9a s ASP 79 N -1.22 5.58 0.07 1.61 2.15 -0.97 -4.98 116.67 118.90 1o9a s ASP 79 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1o9a s ASP 79 Cb 0.00 -1.45 -0.04 0.00 -0.30 0.00 0.00 42.92 41.13 1o9a s ASP 79 CO 0.00 -0.01 -0.05 0.42 -0.17 0.00 0.00 175.17 175.36 1o9a s THR 80 N -2.02 0.41 0.13 1.71 -4.23 -1.26 -0.88 115.64 109.50 1o9a s THR 80 Ca 0.32 -1.77 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 1o9a s THR 80 Cb -0.09 -1.47 0.05 0.00 1.34 0.00 0.00 72.50 72.34 1o9a s THR 80 CO 0.25 -0.89 0.51 -0.72 -0.54 0.00 0.00 174.62 173.22 1o9a s TYR 81 N -3.55 -0.39 -0.22 3.99 1.13 -1.10 -5.00 117.35 112.21 1o9a s TYR 81 Ca 0.07 0.16 -0.02 0.00 -1.41 0.00 0.00 57.07 55.87 1o9a s TYR 81 Cb 0.05 0.41 0.01 0.00 -1.10 0.00 0.00 41.96 41.33 1o9a s TYR 81 CO -0.07 -0.77 -0.10 -1.21 -2.51 0.00 0.00 175.55 170.90 1o9a s GLU 82 N -3.63 3.10 -0.02 -3.49 2.02 -1.26 -3.12 118.70 112.30 1o9a s GLU 82 Ca 0.01 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 1o9a s GLU 82 Cb 0.00 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1o9a s GLU 82 CO -0.11 -0.26 0.05 1.03 0.02 0.00 0.00 175.26 175.98 1o9a s ARG 83 N 1.38 0.05 0.89 1.61 1.81 -0.55 -5.01 118.95 119.13 1o9a s ARG 83 Ca 0.04 0.07 -0.13 0.00 -1.72 0.00 0.00 55.73 53.99 1o9a s ARG 83 Cb -0.15 0.01 0.13 0.00 -0.45 0.00 0.00 34.95 34.50 1o9a s ARG 83 CO -0.07 -0.01 1.18 -1.25 -0.68 0.00 0.00 175.30 174.47 1o9a s PRO 84 N 0.08 1.31 -0.30 3.54 0.04 -1.26 0.14 135.00 138.55 1o9a s PRO 84 Ca -0.00 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.95 1o9a s PRO 84 Cb -0.01 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.84 1o9a s PRO 84 CO -0.00 -2.04 1.18 0.21 0.04 0.00 0.00 177.00 176.38 1o9a s LYS 85 N -5.51 0.16 0.00 4.56 2.20 -0.01 -4.68 119.74 116.46 1o9a s LYS 85 Ca 0.65 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1o9a s LYS 85 Cb -0.11 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1o9a s LYS 85 CO 0.52 -0.03 0.00 -0.25 -0.36 0.00 0.00 175.35 175.22 1o9a n ASP 86 N 3.19 0.00 0.00 1.43 8.00 -1.26 -2.03 116.55 125.88 1o9a n ASP 86 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1o9a n ASP 86 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1o9a n ASP 86 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1o9a n SER 87 N 2.92 0.00 -0.82 -2.24 2.88 -1.26 -5.15 113.62 109.95 1o9a n SER 87 Ca 0.00 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1o9a n SER 87 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1o9a n SER 87 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1o9a n MET 88 N 0.00 3.14 -4.07 -1.46 2.81 -0.86 -5.15 117.12 111.54 1o9a n MET 88 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 1o9a n MET 88 Cb 0.07 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.41 1o9a n MET 88 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 1o9a s ILE 89 N 0.22 0.97 -0.21 2.02 1.10 -1.26 -0.83 121.20 123.20 1o9a s ILE 89 Ca 0.00 -0.29 -0.07 0.00 -0.51 0.00 0.00 60.65 59.78 1o9a s ILE 89 Cb 0.00 -0.97 -0.04 0.00 0.15 0.00 0.00 42.46 41.60 1o9a s ILE 89 CO 0.00 0.35 0.07 0.26 -2.11 0.00 0.00 174.94 173.51 1o9a s TRP 90 N 1.43 3.17 -1.16 3.50 0.52 0.12 -1.49 118.94 125.02 1o9a s TRP 90 Ca -0.01 -0.12 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 1o9a s TRP 90 Cb -0.13 -2.16 0.23 0.00 -1.15 0.00 0.00 33.47 30.26 1o9a s TRP 90 CO -0.05 -0.07 1.99 -0.25 0.02 0.00 0.00 176.95 178.59 1o9a n ASP 91 N 4.17 7.28 -4.76 2.95 9.92 0.31 -1.48 116.55 134.95 1o9a n ASP 91 Ca -0.16 -3.41 -0.40 0.00 -0.53 0.00 0.00 54.79 50.29 1o9a n ASP 91 Cb 0.52 -1.28 0.02 0.00 -0.64 0.00 0.00 41.12 39.74 1o9a n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o9a s THR 93 N -1.21 2.61 -0.21 0.00 -4.23 0.28 -2.73 115.64 110.16 1o9a s THR 93 Ca 0.63 -1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 59.95 1o9a s THR 93 Cb -0.44 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1o9a s THR 93 CO 0.56 0.49 0.33 0.00 -0.54 0.00 0.00 174.62 175.46 1o9a n ILE 95 N 4.27 0.00 -2.24 0.00 2.08 -0.14 -1.43 119.36 121.90 1o9a n ILE 95 Ca -0.10 -1.62 -0.05 0.00 0.56 0.00 0.00 62.75 61.54 1o9a n ILE 95 Cb 0.51 0.39 -0.01 0.00 -0.75 0.00 0.00 39.64 39.78 1o9a n ILE 95 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1o9a n GLY 96 N 0.74 0.99 0.28 7.39 0.00 -1.26 -3.09 105.19 110.24 1o9a n GLY 96 Ca -0.12 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1o9a n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o9a h ALA 97 N 0.42 1.03 0.00 4.61 0.00 -1.95 -3.35 119.26 120.01 1o9a h ALA 97 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1o9a h ALA 97 Cb 1.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1o9a h ALA 97 CO -0.22 0.08 -0.33 0.41 0.00 0.00 0.00 179.25 179.19 1o9a n GLY 98 N -1.30 -0.62 1.24 0.00 0.00 -1.26 -4.97 105.19 98.27 1o9a n GLY 98 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1o9a n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1o9a n ARG 99 N -3.33 0.24 0.00 1.61 0.63 -1.26 -4.79 116.66 109.76 1o9a n ARG 99 Ca -0.05 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.41 1o9a n ARG 99 Cb 0.17 0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1o9a n ARG 99 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1o9a n GLY 100 N -0.27 1.04 3.62 5.14 0.00 -1.26 -4.60 105.19 108.85 1o9a n GLY 100 Ca -0.11 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.34 1o9a n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1o9a n ARG 101 N 0.00 0.64 -3.75 1.61 0.63 -1.18 -4.43 116.66 110.19 1o9a n ARG 101 Ca 0.00 0.23 -0.38 0.00 -0.92 0.00 0.00 57.85 56.79 1o9a n ARG 101 Cb 0.00 -1.82 -0.12 0.00 0.45 0.00 0.00 32.46 30.97 1o9a n ARG 101 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1o9a s ILE 102 N 1.42 3.76 -0.20 5.15 1.10 -1.26 -0.96 121.20 130.21 1o9a s ILE 102 Ca 0.93 -1.17 -0.19 0.00 -0.51 0.00 0.00 60.65 59.71 1o9a s ILE 102 Cb -1.16 -3.15 -0.03 0.00 0.15 0.00 0.00 42.46 38.27 1o9a s ILE 102 CO 0.59 -0.20 0.53 -0.55 -2.11 0.00 0.00 174.94 173.20 1o9a s SER 103 N 1.44 6.57 -0.21 4.50 0.15 -0.03 -4.97 113.70 121.15 1o9a s SER 103 Ca -0.01 0.69 0.02 0.00 0.70 0.00 0.00 55.95 57.34 1o9a s SER 103 Cb -0.20 -2.30 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1o9a s SER 103 CO 0.02 -0.19 -0.16 0.00 1.20 0.00 0.00 173.24 174.11 1o9a s THR 105 N 1.22 1.92 0.49 0.00 2.01 -1.26 -4.93 115.64 115.09 1o9a s THR 105 Ca -0.00 -1.81 -0.11 0.00 0.31 0.00 0.00 61.69 60.08 1o9a s THR 105 Cb -0.16 -1.82 -0.06 0.00 0.01 0.00 0.00 72.50 70.48 1o9a s THR 105 CO -0.10 -0.16 0.88 -0.51 -0.69 0.00 0.00 174.62 174.04 1o9a s ILE 106 N -1.62 4.73 -0.40 1.82 -1.16 -1.26 -0.53 121.20 122.78 1o9a s ILE 106 Ca 0.13 0.75 0.02 0.00 -0.51 0.00 0.00 60.65 61.04 1o9a s ILE 106 Cb -0.08 -3.78 0.26 0.00 0.61 0.00 0.00 42.46 39.47 1o9a s ILE 106 CO 0.06 -0.76 1.08 0.00 -2.81 0.00 0.00 174.94 172.51 1o9a n ALA 107 N -1.87 -2.57 -1.98 1.50 0.00 -0.56 -4.59 120.51 110.43 1o9a n ALA 107 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1o9a n ALA 107 Cb 0.54 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1o9a n ALA 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1o9a s ASN 108 N -0.91 5.67 0.00 0.00 2.47 -1.24 -4.68 114.94 116.24 1o9a s ASN 108 Ca 0.29 1.07 0.29 0.00 0.42 0.00 0.00 52.86 54.93 1o9a s ASN 108 Cb 0.22 -2.53 1.35 0.00 -1.45 0.00 0.00 41.25 38.84 1o9a s ASN 108 CO -0.16 -1.92 1.91 0.54 -3.72 0.00 0.00 177.10 173.75