#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxs s GLN 16 N 0.00 1.68 -1.34 3.23 0.74 -0.00 -4.73 119.66 119.23 2yxs s GLN 16 Ca 0.00 -1.21 -0.03 0.00 0.05 0.00 0.00 55.36 54.17 2yxs s GLN 16 Cb 0.00 -2.02 0.02 0.00 1.10 0.00 0.00 33.01 32.10 2yxs s GLN 16 CO 0.00 0.48 0.78 0.09 -0.55 0.00 0.00 175.29 176.09 2yxs n ASN 17 N 1.08 -2.01 -4.75 6.67 3.02 -1.26 -1.88 115.26 116.13 2yxs n ASN 17 Ca -0.17 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.18 2yxs n ASN 17 Cb 0.53 -4.12 -0.04 0.00 -0.61 0.00 0.00 39.78 35.54 2yxs n ASN 17 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2yxs s ILE 18 N -3.58 3.41 -0.15 2.41 1.01 -1.26 -4.62 121.20 118.42 2yxs s ILE 18 Ca 0.14 1.31 0.01 0.00 0.00 0.00 0.00 60.65 62.11 2yxs s ILE 18 Cb -0.07 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2yxs s ILE 18 CO 0.81 0.27 -0.18 -0.63 0.00 0.00 0.00 174.94 175.21 2yxs s ILE 19 N -0.70 2.41 -0.06 2.92 -1.09 0.49 -4.95 121.20 120.22 2yxs s ILE 19 Ca 0.49 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2yxs s ILE 19 Cb -0.33 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 2yxs s ILE 19 CO 0.41 0.53 0.03 -0.31 -1.23 0.00 0.00 174.94 174.36 2yxs s TYR 20 N 0.85 3.20 -1.09 3.97 2.02 -1.26 -0.43 117.35 124.61 2yxs s TYR 20 Ca -0.05 0.20 -0.24 0.00 -0.37 0.00 0.00 57.07 56.61 2yxs s TYR 20 Cb -0.15 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.67 2yxs s TYR 20 CO -0.01 0.51 0.45 -1.71 -1.57 0.00 0.00 175.55 173.21 2yxs n ASN 21 N 1.82 -2.51 -4.79 2.29 5.15 0.06 -4.90 115.26 112.39 2yxs n ASN 21 Ca -0.17 -1.11 -0.34 0.00 -0.60 0.00 0.00 54.58 52.36 2yxs n ASN 21 Cb 0.53 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.43 2yxs n ASN 21 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2yxs s PRO 22 N -7.04 3.56 0.06 1.20 0.04 -1.24 -5.00 135.00 126.58 2yxs s PRO 22 Ca 0.33 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2yxs s PRO 22 Cb -0.18 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2yxs s PRO 22 CO 0.83 -0.65 0.99 0.08 0.04 0.00 0.00 177.00 178.29 2yxs s VAL 23 N -1.92 4.61 -0.16 -0.36 1.01 -1.26 -4.67 120.40 117.65 2yxs s VAL 23 Ca 0.70 2.02 -0.08 0.00 0.00 0.00 0.00 61.98 64.61 2yxs s VAL 23 Cb -0.20 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2yxs s VAL 23 CO 0.24 0.24 0.12 -0.63 0.00 0.00 0.00 175.10 175.07 2yxs s ILE 24 N 0.48 5.33 0.25 2.22 1.09 -1.26 -2.95 121.20 126.36 2yxs s ILE 24 Ca 0.50 0.15 -0.31 0.00 -1.10 0.00 0.00 60.65 59.89 2yxs s ILE 24 Cb -0.23 -3.37 -0.11 0.00 -1.06 0.00 0.00 42.46 37.68 2yxs s ILE 24 CO 0.29 0.52 1.64 -2.84 -0.10 0.00 0.00 174.94 174.45 2yxs s PRO 25 N -0.26 4.13 -0.13 2.79 0.02 -1.26 -5.03 135.00 135.25 2yxs s PRO 25 Ca 0.11 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.69 2yxs s PRO 25 Cb -0.12 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 2yxs s PRO 25 CO 0.01 -0.67 -0.12 -0.47 -0.33 0.00 0.00 177.00 175.42 2yxs s TYR 26 N 0.48 2.84 -0.17 6.54 5.04 -0.18 -4.99 117.35 126.92 2yxs s TYR 26 Ca 0.68 -0.58 -0.05 0.00 -2.44 0.00 0.00 57.07 54.68 2yxs s TYR 26 Cb -0.48 -1.85 0.06 0.00 0.35 0.00 0.00 41.96 40.04 2yxs s TYR 26 CO 0.41 -0.17 0.09 0.08 -1.34 0.00 0.00 175.55 174.62 2yxs s VAL 27 N 0.31 -0.08 0.01 3.14 1.01 -1.26 -0.55 120.40 122.98 2yxs s VAL 27 Ca -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2yxs s VAL 27 Cb -0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 2yxs s VAL 27 CO 0.05 -0.26 0.01 -0.83 0.00 0.00 0.00 175.10 174.07 2yxs s GLY 28 N 2.14 0.13 0.29 4.51 0.00 -0.62 -4.99 107.32 108.79 2yxs s GLY 28 Ca 0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.12 2yxs s GLY 28 CO -0.09 -0.39 1.33 -1.59 0.00 0.00 0.00 173.10 172.37 2yxs s THR 29 N -1.01 2.78 0.06 0.90 2.01 -1.26 -0.83 115.64 118.30 2yxs s THR 29 Ca -0.11 0.73 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 2yxs s THR 29 Cb -0.07 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 2yxs s THR 29 CO -0.00 0.15 0.77 -0.63 -0.69 0.00 0.00 174.62 174.22 2yxs s ILE 30 N -0.70 4.68 0.20 1.82 1.01 0.20 -4.85 121.20 123.57 2yxs s ILE 30 Ca 0.52 1.65 -0.11 0.00 0.00 0.00 0.00 60.65 62.72 2yxs s ILE 30 Cb -0.40 -4.12 0.14 0.00 0.01 0.00 0.00 42.46 38.09 2yxs s ILE 30 CO 0.48 0.38 1.71 -0.65 0.00 0.00 0.00 174.94 176.87 2yxs h PRO 31 N 5.50 0.26 -5.00 2.79 0.11 -1.94 -3.46 132.00 130.27 2yxs h PRO 31 Ca -0.44 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.32 2yxs h PRO 31 Cb 1.21 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 2yxs h PRO 31 CO 0.70 0.17 -0.69 -0.51 -0.21 0.00 0.00 178.00 177.47 2yxs s ASP 32 N -5.31 1.65 0.36 -2.05 1.01 -1.26 -5.12 116.67 105.95 2yxs s ASP 32 Ca -0.13 -1.11 -0.28 0.00 0.71 0.00 0.00 52.55 51.74 2yxs s ASP 32 Cb 0.17 0.03 -0.11 0.00 1.01 0.00 0.00 42.92 44.02 2yxs s ASP 32 CO 0.74 -0.44 1.44 -1.10 0.21 0.00 0.00 175.17 176.01 2yxs s GLN 33 N -3.82 4.18 -1.44 8.23 -1.52 -1.26 -4.87 119.66 119.16 2yxs s GLN 33 Ca 0.21 2.47 -0.13 0.00 -1.95 0.00 0.00 55.36 55.97 2yxs s GLN 33 Cb 0.04 -3.00 0.06 0.00 -0.22 0.00 0.00 33.01 29.89 2yxs s GLN 33 CO 0.03 -0.44 2.20 1.28 -0.25 0.00 0.00 175.29 178.12 2yxs n LEU 34 N 0.56 6.91 -4.79 2.90 4.77 -1.26 -4.97 117.00 121.12 2yxs n LEU 34 Ca 0.01 -4.23 -0.33 0.00 -0.03 0.00 0.00 56.01 51.42 2yxs n LEU 34 Cb 0.40 -1.63 0.01 0.00 -2.33 0.00 0.00 43.42 39.88 2yxs n LEU 34 CO 0.62 1.19 0.73 -1.81 -1.33 0.00 0.00 177.39 176.80 2yxs s ASP 35 N 2.78 5.65 -0.02 -1.43 1.01 -1.26 -4.73 116.67 118.66 2yxs s ASP 35 Ca 0.47 1.92 -0.39 0.00 0.71 0.00 0.00 52.55 55.26 2yxs s ASP 35 Cb 0.14 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 41.33 2yxs s ASP 35 CO -0.07 -1.26 1.24 -2.65 0.21 0.00 0.00 175.17 172.63 2yxs n PRO 36 N -1.93 0.45 0.00 8.23 -0.02 -1.25 -1.49 135.00 138.98 2yxs n PRO 36 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2yxs n PRO 36 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2yxs n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2yxs n GLY 37 N 2.17 1.22 3.77 -1.23 0.00 0.36 -4.64 105.19 106.83 2yxs n GLY 37 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2yxs n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yxs s THR 38 N -2.32 2.72 -0.03 2.61 2.01 -0.56 -4.23 115.64 115.85 2yxs s THR 38 Ca 0.00 0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.71 2yxs s THR 38 Cb 0.00 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2yxs s THR 38 CO 0.00 0.10 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.08 2yxs s LEU 39 N -2.30 2.42 -0.25 4.42 1.43 0.64 -0.96 118.68 124.08 2yxs s LEU 39 Ca 0.55 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2yxs s LEU 39 Cb -0.37 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.45 2yxs s LEU 39 CO 0.48 0.33 -0.12 -0.63 0.23 0.00 0.00 176.35 176.64 2yxs s ILE 40 N -0.70 2.12 -0.24 -0.59 1.01 0.09 -1.28 121.20 121.61 2yxs s ILE 40 Ca 0.11 -1.51 -0.07 0.00 0.00 0.00 0.00 60.65 59.18 2yxs s ILE 40 Cb -0.10 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2yxs s ILE 40 CO 0.00 0.05 0.05 -0.69 0.00 0.00 0.00 174.94 174.35 2yxs s VAL 41 N 1.14 4.11 -0.18 2.92 1.01 0.09 -1.03 120.40 128.47 2yxs s VAL 41 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2yxs s VAL 41 Cb -0.19 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.31 2yxs s VAL 41 CO -0.06 0.36 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 2yxs s ILE 42 N 1.58 1.54 -0.12 2.22 1.01 0.15 -0.66 121.20 126.93 2yxs s ILE 42 Ca 0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 2yxs s ILE 42 Cb -0.15 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2yxs s ILE 42 CO 0.02 0.25 0.01 0.00 0.00 0.00 0.00 174.94 175.23 2yxs n GLY 44 N 2.66 2.20 3.12 0.00 0.00 -0.60 -0.20 105.19 112.38 2yxs n GLY 44 Ca -0.18 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2yxs n GLY 44 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yxs s HIS 45 N -4.33 -0.09 -0.29 1.61 2.46 0.62 -0.69 115.29 114.58 2yxs s HIS 45 Ca 0.00 0.17 -0.16 0.00 0.47 0.00 0.00 55.06 55.54 2yxs s HIS 45 Cb 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 32.58 32.44 2yxs s HIS 45 CO 0.00 -0.25 0.41 0.08 -2.47 0.00 0.00 174.74 172.52 2yxs s VAL 46 N -0.88 5.13 0.80 0.89 1.01 -0.86 -1.62 120.40 124.88 2yxs s VAL 46 Ca -0.10 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 2yxs s VAL 46 Cb -0.05 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.64 2yxs s VAL 46 CO 0.02 0.07 1.21 -2.84 0.00 0.00 0.00 175.10 173.55 2yxs s PRO 47 N 2.15 1.64 0.23 2.72 0.02 -1.26 0.23 135.00 140.73 2yxs s PRO 47 Ca 0.16 1.76 -0.32 0.00 0.02 0.00 0.00 61.00 62.63 2yxs s PRO 47 Cb -0.16 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.46 2yxs s PRO 47 CO 0.10 -2.21 1.56 0.43 -0.33 0.00 0.00 177.00 176.55 2yxs n SER 48 N -3.28 3.37 -1.79 2.53 7.64 -1.26 -2.00 113.62 118.83 2yxs n SER 48 Ca 0.14 1.12 -0.20 0.00 1.01 0.00 0.00 58.87 60.93 2yxs n SER 48 Cb 0.50 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.14 2yxs n SER 48 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yxs n ASP 49 N 2.77 -5.35 -4.70 6.43 4.64 -1.26 -4.93 116.55 114.14 2yxs n ASP 49 Ca 0.13 0.37 -0.41 0.00 -1.38 0.00 0.00 54.79 53.50 2yxs n ASP 49 Cb 0.33 -4.67 0.01 0.00 -1.04 0.00 0.00 41.12 35.75 2yxs n ASP 49 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2yxs n ALA 50 N 0.42 1.27 -0.05 -1.67 0.00 -0.85 -4.93 120.51 114.71 2yxs n ALA 50 Ca -0.21 0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 2yxs n ALA 50 Cb 0.66 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 2yxs n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yxs n ASP 51 N 0.19 2.04 -3.60 0.00 3.85 -1.26 -4.63 116.55 113.14 2yxs n ASP 51 Ca 0.07 0.23 0.01 0.00 -0.71 0.00 0.00 54.79 54.38 2yxs n ASP 51 Cb 0.40 -0.83 -0.01 0.00 -1.35 0.00 0.00 41.12 39.33 2yxs n ASP 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2yxs s ARG 52 N -2.50 0.20 0.22 0.11 1.70 -1.26 -1.79 118.95 115.62 2yxs s ARG 52 Ca -0.26 -0.10 -0.17 0.00 -0.47 0.00 0.00 55.73 54.72 2yxs s ARG 52 Cb 0.07 0.07 0.02 0.00 -0.57 0.00 0.00 34.95 34.55 2yxs s ARG 52 CO 0.69 -0.09 0.54 -0.59 -1.08 0.00 0.00 175.30 174.77 2yxs s PHE 53 N -2.23 -0.05 0.03 5.89 -0.12 -1.16 -0.81 117.98 119.53 2yxs s PHE 53 Ca 0.13 -0.32 -0.10 0.00 -0.05 0.00 0.00 56.93 56.60 2yxs s PHE 53 Cb 0.04 0.40 0.01 0.00 -0.63 0.00 0.00 43.02 42.84 2yxs s PHE 53 CO -0.05 -0.98 0.21 1.14 -0.05 0.00 0.00 175.22 175.50 2yxs s GLN 54 N -3.90 0.66 -0.20 1.99 -2.07 0.20 -2.95 119.66 113.39 2yxs s GLN 54 Ca 0.12 -0.52 0.01 0.00 -1.82 0.00 0.00 55.36 53.15 2yxs s GLN 54 Cb -0.02 0.28 0.03 0.00 -1.09 0.00 0.00 33.01 32.21 2yxs s GLN 54 CO 0.01 -0.19 -0.17 0.08 -1.32 0.00 0.00 175.29 173.70 2yxs s VAL 55 N -2.17 2.14 -0.11 3.63 1.01 0.05 -1.37 120.40 123.58 2yxs s VAL 55 Ca -0.08 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.81 2yxs s VAL 55 Cb -0.03 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2yxs s VAL 55 CO -0.02 0.38 -0.20 -1.81 0.00 0.00 0.00 175.10 173.46 2yxs s ASP 56 N 1.25 3.46 -0.46 3.32 1.01 0.17 -1.00 116.67 124.42 2yxs s ASP 56 Ca 0.01 -0.46 -0.16 0.00 0.71 0.00 0.00 52.55 52.65 2yxs s ASP 56 Cb -0.15 -1.47 0.06 0.00 1.01 0.00 0.00 42.92 42.37 2yxs s ASP 56 CO -0.10 0.17 0.39 -0.76 0.21 0.00 0.00 175.17 175.07 2yxs s LEU 57 N 0.32 5.44 0.29 1.23 1.43 -0.15 -0.03 118.68 127.21 2yxs s LEU 57 Ca -0.15 -1.18 0.07 0.00 -1.03 0.00 0.00 54.13 51.84 2yxs s LEU 57 Cb -0.17 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2yxs s LEU 57 CO 0.08 -0.61 0.25 -1.10 0.23 0.00 0.00 176.35 175.19 2yxs s GLN 58 N 1.72 2.84 -0.82 1.70 -0.21 0.90 -1.03 119.66 124.75 2yxs s GLN 58 Ca 0.05 -1.16 -0.08 0.00 0.02 0.00 0.00 55.36 54.19 2yxs s GLN 58 Cb -0.22 -2.53 0.21 0.00 1.00 0.00 0.00 33.01 31.47 2yxs s GLN 58 CO 0.08 0.26 0.72 1.21 -2.12 0.00 0.00 175.29 175.44 2yxs s ASN 59 N -3.92 6.25 0.00 5.90 3.84 -0.54 -1.73 114.94 124.74 2yxs s ASN 59 Ca 0.37 -3.05 0.00 0.00 0.21 0.00 0.00 52.86 50.39 2yxs s ASN 59 Cb -0.07 -2.05 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 2yxs s ASN 59 CO 0.26 -0.40 0.00 0.61 -2.79 0.00 0.00 177.10 174.78 2yxs n GLY 60 N 3.36 -0.04 0.13 1.21 0.00 -1.26 -4.05 105.19 104.54 2yxs n GLY 60 Ca 0.15 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.34 2yxs n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yxs n SER 61 N -0.48 1.88 -4.76 1.61 3.41 -1.26 -4.74 113.62 109.28 2yxs n SER 61 Ca 0.00 -2.77 -0.41 0.00 -0.26 0.00 0.00 58.87 55.43 2yxs n SER 61 Cb 0.00 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 2yxs n SER 61 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yxs s SER 62 N -2.34 6.44 -0.18 4.04 0.15 -1.26 -4.87 113.70 115.67 2yxs s SER 62 Ca 0.23 2.92 0.17 0.00 0.70 0.00 0.00 55.95 59.97 2yxs s SER 62 Cb 0.20 -2.64 -0.25 0.00 -1.71 0.00 0.00 66.02 61.62 2yxs s SER 62 CO 0.02 -0.84 0.14 0.52 1.20 0.00 0.00 173.24 174.29 2yxs n VAL 63 N 1.55 1.42 -3.31 4.45 0.31 -1.26 -0.50 118.33 120.98 2yxs n VAL 63 Ca 0.05 -0.85 -0.07 0.00 -0.01 0.00 0.00 64.34 63.45 2yxs n VAL 63 Cb 0.39 -0.54 -0.07 0.00 -0.91 0.00 0.00 33.84 32.71 2yxs n VAL 63 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2yxs s LYS 64 N -2.50 0.39 0.59 5.55 2.20 -1.26 -2.70 119.74 122.00 2yxs s LYS 64 Ca -0.09 0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 55.80 2yxs s LYS 64 Cb 0.06 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 2yxs s LYS 64 CO 0.83 -0.75 1.24 -1.25 -0.36 0.00 0.00 175.35 175.06 2yxs s PRO 65 N 2.58 2.97 0.12 4.03 0.04 -1.26 -5.08 135.00 138.40 2yxs s PRO 65 Ca 0.13 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 2yxs s PRO 65 Cb -0.15 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2yxs s PRO 65 CO -0.20 -1.24 1.46 0.50 0.04 0.00 0.00 177.00 177.56 2yxs s ARG 66 N -3.24 4.28 0.40 4.56 3.52 -1.10 -4.65 118.95 122.73 2yxs s ARG 66 Ca 0.77 2.18 -0.26 0.00 -0.13 0.00 0.00 55.73 58.29 2yxs s ARG 66 Cb -0.33 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 29.70 2yxs s ARG 66 CO 0.36 -0.52 1.19 0.00 -0.81 0.00 0.00 175.30 175.53 2yxs n ALA 67 N 4.12 0.92 -1.76 6.12 0.00 0.35 -4.43 120.51 125.82 2yxs n ALA 67 Ca 0.13 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2yxs n ALA 67 Cb 0.41 -2.20 0.03 0.00 0.00 0.00 0.00 19.45 17.68 2yxs n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yxs s ASP 68 N -0.57 5.47 -0.33 0.00 1.01 -1.26 -4.84 116.67 116.16 2yxs s ASP 68 Ca 0.61 2.52 0.01 0.00 0.71 0.00 0.00 52.55 56.39 2yxs s ASP 68 Cb -0.54 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 40.86 2yxs s ASP 68 CO 0.58 -1.41 0.03 -0.69 0.21 0.00 0.00 175.17 173.89 2yxs s VAL 69 N -1.46 2.69 0.20 -1.27 1.01 -0.40 -1.47 120.40 119.70 2yxs s VAL 69 Ca 0.72 -1.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 2yxs s VAL 69 Cb -0.34 -2.74 0.12 0.00 0.00 0.00 0.00 36.38 33.43 2yxs s VAL 69 CO 0.39 -0.35 1.74 0.00 0.00 0.00 0.00 175.10 176.88 2yxs h ALA 70 N 7.86 0.95 -3.07 5.51 0.00 -1.34 -0.22 119.26 128.94 2yxs h ALA 70 Ca -0.14 -0.22 -0.36 0.00 0.00 0.00 0.00 54.91 54.18 2yxs h ALA 70 Cb 1.04 -0.28 -0.38 0.00 0.00 0.00 0.00 17.79 18.17 2yxs h ALA 70 CO 0.55 0.63 -0.69 0.12 0.00 0.00 0.00 179.25 179.86 2yxs s PHE 71 N -5.41 -0.03 -0.32 0.00 5.36 -1.14 -4.63 117.98 111.80 2yxs s PHE 71 Ca -0.12 0.24 -0.07 0.00 -0.96 0.00 0.00 56.93 56.02 2yxs s PHE 71 Cb 0.15 -0.44 0.03 0.00 -0.34 0.00 0.00 43.02 42.42 2yxs s PHE 71 CO 0.84 -0.35 0.10 -1.58 -1.46 0.00 0.00 175.22 172.77 2yxs s HIS 72 N 2.23 3.21 -0.38 10.12 5.65 -0.33 -0.98 115.29 134.81 2yxs s HIS 72 Ca 0.04 -1.26 -0.07 0.00 0.25 0.00 0.00 55.06 54.01 2yxs s HIS 72 Cb -0.13 -2.27 0.06 0.00 -1.18 0.00 0.00 32.58 29.06 2yxs s HIS 72 CO -0.07 -0.68 0.18 0.12 -0.65 0.00 0.00 174.74 173.65 2yxs s PHE 73 N 1.44 3.32 -0.48 3.88 5.36 -0.17 -2.26 117.98 129.07 2yxs s PHE 73 Ca -0.00 -1.55 0.03 0.00 -0.96 0.00 0.00 56.93 54.45 2yxs s PHE 73 Cb -0.19 -2.67 0.13 0.00 -0.34 0.00 0.00 43.02 39.96 2yxs s PHE 73 CO 0.03 -0.80 0.26 1.21 -1.46 0.00 0.00 175.22 174.45 2yxs s ASN 74 N 1.76 3.93 0.16 6.13 2.47 -0.14 -0.77 114.94 128.49 2yxs s ASN 74 Ca 0.01 -2.83 -0.31 0.00 0.42 0.00 0.00 52.86 50.16 2yxs s ASN 74 Cb -0.21 -1.29 -0.08 0.00 -1.45 0.00 0.00 41.25 38.21 2yxs s ASN 74 CO 0.02 -0.25 1.35 -2.84 -3.72 0.00 0.00 177.10 171.67 2yxs s PRO 75 N 0.03 4.35 -0.01 0.43 0.02 -1.15 -1.37 135.00 137.30 2yxs s PRO 75 Ca 0.18 2.08 0.07 0.00 0.02 0.00 0.00 61.00 63.35 2yxs s PRO 75 Cb -0.24 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 31.04 2yxs s PRO 75 CO -0.01 -0.35 -0.24 1.03 -0.33 0.00 0.00 177.00 177.11 2yxs s ARG 76 N 0.43 2.13 -0.01 5.54 0.52 0.11 -3.00 118.95 124.67 2yxs s ARG 76 Ca 0.60 -0.92 0.12 0.00 -0.52 0.00 0.00 55.73 55.02 2yxs s ARG 76 Cb -0.37 -2.10 -0.17 0.00 0.52 0.00 0.00 34.95 32.83 2yxs s ARG 76 CO 0.35 0.56 0.34 1.19 0.02 0.00 0.00 175.30 177.76 2yxs n PHE 77 N 2.28 0.00 -1.89 -0.53 3.72 -0.74 -0.99 117.46 119.30 2yxs n PHE 77 Ca -0.16 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.85 2yxs n PHE 77 Cb 0.51 -0.20 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 2yxs n PHE 77 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2yxs s LYS 78 N -2.65 3.41 6.53 -1.08 1.02 -1.26 -4.14 119.74 121.57 2yxs s LYS 78 Ca -0.02 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.15 2yxs s LYS 78 Cb 0.08 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2yxs s LYS 78 CO 0.51 -0.95 0.00 0.54 -0.92 0.00 0.00 175.35 174.53 2yxs n ARG 79 N -0.69 0.00 0.27 1.68 1.74 -1.26 -2.35 116.66 116.04 2yxs n ARG 79 Ca 0.08 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.31 2yxs n ARG 79 Cb 0.45 0.00 0.69 0.00 -1.02 0.00 0.00 32.46 32.58 2yxs n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yxs h ALA 80 N -0.77 1.06 0.00 7.54 0.00 -1.97 -3.49 119.26 121.63 2yxs h ALA 80 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yxs h ALA 80 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2yxs h ALA 80 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2yxs n GLY 81 N -0.20 -1.22 3.47 0.00 0.00 -0.99 -4.94 105.19 101.32 2yxs n GLY 81 Ca -0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 2yxs n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yxs s ILE 83 N -2.12 0.67 -0.18 0.00 1.01 -0.60 0.07 121.20 120.05 2yxs s ILE 83 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 2yxs s ILE 83 Cb -0.03 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2yxs s ILE 83 CO 0.06 0.26 0.09 -0.69 0.00 0.00 0.00 174.94 174.66 2yxs s VAL 84 N 1.85 5.06 -0.03 2.92 1.01 -0.47 -1.01 120.40 129.73 2yxs s VAL 84 Ca 0.04 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2yxs s VAL 84 Cb -0.13 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2yxs s VAL 84 CO -0.07 0.47 -0.24 0.00 0.00 0.00 0.00 175.10 175.25 2yxs n ASN 86 N 2.66 -1.88 -3.92 0.00 2.85 -0.96 -0.65 115.26 113.36 2yxs n ASN 86 Ca -0.16 -2.42 -0.17 0.00 -0.11 0.00 0.00 54.58 51.72 2yxs n ASN 86 Cb 0.52 3.16 -0.15 0.00 1.24 0.00 0.00 39.78 44.55 2yxs n ASN 86 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2yxs s THR 87 N -2.30 0.39 -0.25 -0.44 2.01 -1.26 -1.19 115.64 112.60 2yxs s THR 87 Ca 0.15 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2yxs s THR 87 Cb -0.04 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 2yxs s THR 87 CO 0.11 0.14 0.06 -0.22 -0.69 0.00 0.00 174.62 174.02 2yxs s LEU 88 N 0.24 3.44 -0.12 4.42 2.96 -0.09 -1.54 118.68 127.99 2yxs s LEU 88 Ca -0.03 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2yxs s LEU 88 Cb -0.06 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.75 2yxs s LEU 88 CO -0.00 -0.06 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.18 2yxs s ILE 89 N 1.57 1.52 -1.50 6.68 1.01 -0.56 -1.28 121.20 128.64 2yxs s ILE 89 Ca 0.06 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 2yxs s ILE 89 Cb -0.15 -1.39 0.07 0.00 0.01 0.00 0.00 42.46 40.99 2yxs s ILE 89 CO 0.02 0.45 0.77 0.59 0.00 0.00 0.00 174.94 176.77 2yxs n ASN 90 N 4.30 -2.83 -1.40 3.58 3.02 -1.26 -1.39 115.26 119.27 2yxs n ASN 90 Ca -0.19 -0.88 -0.15 0.00 -0.03 0.00 0.00 54.58 53.34 2yxs n ASN 90 Cb 0.51 -3.52 -0.04 0.00 -0.61 0.00 0.00 39.78 36.12 2yxs n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yxs n GLU 91 N -4.48 -1.10 -4.14 3.52 1.02 -1.26 -5.01 120.64 109.19 2yxs n GLU 91 Ca -0.09 0.87 -0.24 0.00 -0.02 0.00 0.00 57.16 57.68 2yxs n GLU 91 Cb 0.58 -5.09 -0.17 0.00 -0.02 0.00 0.00 31.44 26.74 2yxs n GLU 91 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yxs s LYS 92 N -3.98 1.26 0.39 3.49 1.02 -0.49 -5.10 119.74 116.34 2yxs s LYS 92 Ca 0.00 -0.21 -0.25 0.00 0.02 0.00 0.00 55.97 55.53 2yxs s LYS 92 Cb 0.00 -1.25 -0.09 0.00 -0.52 0.00 0.00 37.83 35.97 2yxs s LYS 92 CO 0.00 -0.14 1.12 -1.58 -0.92 0.00 0.00 175.35 173.83 2yxs s TRP 93 N 1.25 3.17 0.00 3.18 0.52 -1.26 -1.50 118.94 124.30 2yxs s TRP 93 Ca -0.05 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.67 2yxs s TRP 93 Cb -0.14 -3.29 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 2yxs s TRP 93 CO -0.02 -1.01 0.00 0.41 0.02 0.00 0.00 176.95 176.34 2yxs n GLY 94 N 0.57 1.44 3.70 0.98 0.00 -0.59 -4.96 105.19 106.33 2yxs n GLY 94 Ca 0.04 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2yxs n GLY 94 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yxs s ARG 95 N 2.59 4.36 0.34 1.61 3.52 -1.26 -4.86 118.95 125.26 2yxs s ARG 95 Ca 0.00 1.76 -0.27 0.00 -0.13 0.00 0.00 55.73 57.09 2yxs s ARG 95 Cb 0.00 -3.50 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 2yxs s ARG 95 CO 0.00 -0.42 1.11 -1.21 -0.81 0.00 0.00 175.30 173.98 2yxs s GLU 96 N 1.90 4.35 -0.28 5.12 2.02 -1.26 -4.75 118.70 125.80 2yxs s GLU 96 Ca 0.58 1.76 0.03 0.00 0.02 0.00 0.00 54.97 57.36 2yxs s GLU 96 Cb -0.27 -2.88 0.07 0.00 0.10 0.00 0.00 34.13 31.14 2yxs s GLU 96 CO 0.25 -0.03 -0.06 -1.21 0.02 0.00 0.00 175.26 174.22 2yxs s GLU 97 N -1.95 2.07 -0.15 1.61 2.02 0.18 -4.98 118.70 117.50 2yxs s GLU 97 Ca 0.51 -1.47 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 2yxs s GLU 97 Cb -0.29 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2yxs s GLU 97 CO 0.37 -0.67 0.09 0.42 0.02 0.00 0.00 175.26 175.50 2yxs s ILE 98 N 1.06 5.05 -0.27 -1.63 1.01 -1.26 -0.87 121.20 124.29 2yxs s ILE 98 Ca -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2yxs s ILE 98 Cb -0.20 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.05 2yxs s ILE 98 CO -0.05 0.53 0.03 -0.89 0.00 0.00 0.00 174.94 174.56 2yxs s THR 99 N -0.30 3.64 -0.80 2.92 2.01 -0.18 -4.99 115.64 117.94 2yxs s THR 99 Ca 0.09 -0.71 0.26 0.00 0.31 0.00 0.00 61.69 61.64 2yxs s THR 99 Cb -0.12 -2.83 0.14 0.00 0.01 0.00 0.00 72.50 69.70 2yxs s THR 99 CO 0.01 0.17 1.58 -1.22 -0.69 0.00 0.00 174.62 174.47 2yxs n TYR 100 N 4.81 0.45 -3.30 4.92 4.01 -1.26 -1.55 117.16 125.23 2yxs n TYR 100 Ca -0.16 0.13 -0.45 0.00 -0.16 0.00 0.00 57.90 57.27 2yxs n TYR 100 Cb 0.48 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 2yxs n TYR 100 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2yxs n ASP 101 N -1.92 5.63 -4.76 7.72 -0.08 -1.26 -4.77 116.55 117.11 2yxs n ASP 101 Ca 0.05 -3.09 -0.39 0.00 -1.51 0.00 0.00 54.79 49.85 2yxs n ASP 101 Cb 0.40 -1.36 -0.06 0.00 2.34 0.00 0.00 41.12 42.44 2yxs n ASP 101 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2yxs s THR 102 N -1.49 4.97 -2.48 5.18 -1.32 -1.26 -4.97 115.64 114.26 2yxs s THR 102 Ca 0.31 1.20 0.27 0.00 -1.21 0.00 0.00 61.69 62.26 2yxs s THR 102 Cb -0.08 -3.91 0.48 0.00 -1.51 0.00 0.00 72.50 67.48 2yxs s THR 102 CO -0.06 0.40 1.67 -0.81 -2.21 0.00 0.00 174.62 173.61 2yxs n PRO 103 N 2.93 1.65 -3.03 7.08 -0.04 -1.26 -4.92 135.00 137.41 2yxs n PRO 103 Ca -0.07 -1.02 -0.35 0.00 -0.04 0.00 0.00 63.50 62.02 2yxs n PRO 103 Cb 0.51 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2yxs n PRO 103 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yxs s PHE 104 N -2.05 3.54 -0.12 0.54 0.08 -1.26 -5.06 117.98 113.65 2yxs s PHE 104 Ca 0.36 1.42 -0.18 0.00 0.12 0.00 0.00 56.93 58.64 2yxs s PHE 104 Cb 0.21 -2.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2yxs s PHE 104 CO 0.35 0.20 0.47 -1.59 -0.10 0.00 0.00 175.22 174.55 2yxs s LYS 105 N -2.40 0.66 0.40 0.44 -2.85 -1.26 -5.03 119.74 109.69 2yxs s LYS 105 Ca 0.49 0.41 -0.27 0.00 -1.00 0.00 0.00 55.97 55.60 2yxs s LYS 105 Cb -0.14 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.83 2yxs s LYS 105 CO 0.20 -0.13 1.39 0.54 0.10 0.00 0.00 175.35 177.44 2yxs n ARG 106 N 2.18 2.31 -1.95 1.78 1.74 -1.26 -2.55 116.66 118.91 2yxs n ARG 106 Ca -0.16 0.81 -0.15 0.00 -0.77 0.00 0.00 57.85 57.58 2yxs n ARG 106 Cb 0.57 -2.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 2yxs n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2yxs n GLU 107 N 0.24 -1.14 -4.40 5.56 1.02 0.13 -4.98 120.64 117.07 2yxs n GLU 107 Ca 0.04 0.85 -0.21 0.00 -0.02 0.00 0.00 57.16 57.82 2yxs n GLU 107 Cb 0.39 -5.10 -0.14 0.00 -0.02 0.00 0.00 31.44 26.57 2yxs n GLU 107 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yxs s LYS 108 N -4.17 0.98 0.71 3.49 -0.14 -1.06 -4.92 119.74 114.64 2yxs s LYS 108 Ca 0.00 -0.73 -0.11 0.00 -1.36 0.00 0.00 55.97 53.76 2yxs s LYS 108 Cb 0.00 -0.99 0.02 0.00 -1.68 0.00 0.00 37.83 35.18 2yxs s LYS 108 CO 0.00 0.25 1.08 -1.54 -0.76 0.00 0.00 175.35 174.38 2yxs s SER 109 N -1.04 5.38 0.14 2.83 1.04 -1.26 -2.03 113.70 118.76 2yxs s SER 109 Ca 0.02 1.25 -0.15 0.00 0.48 0.00 0.00 55.95 57.55 2yxs s SER 109 Cb -0.08 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 63.99 2yxs s SER 109 CO 0.01 -1.40 0.40 0.72 0.98 0.00 0.00 173.24 173.95 2yxs s PHE 110 N -3.27 -0.09 -0.11 5.02 -0.12 0.13 -4.93 117.98 114.62 2yxs s PHE 110 Ca 0.58 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 57.19 2yxs s PHE 110 Cb -0.12 0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.54 2yxs s PHE 110 CO 0.53 -0.74 0.02 -2.00 -0.05 0.00 0.00 175.22 172.97 2yxs s GLU 111 N -3.84 0.58 -0.19 1.99 2.12 -1.26 -1.55 118.70 116.55 2yxs s GLU 111 Ca 0.06 -0.05 -0.08 0.00 0.36 0.00 0.00 54.97 55.26 2yxs s GLU 111 Cb 0.02 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 33.02 2yxs s GLU 111 CO -0.08 -0.42 0.07 0.42 -0.54 0.00 0.00 175.26 174.71 2yxs s ILE 112 N 1.95 4.85 -0.22 -3.70 1.01 0.78 -1.08 121.20 124.78 2yxs s ILE 112 Ca 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2yxs s ILE 112 Cb -0.14 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.19 2yxs s ILE 112 CO -0.06 0.45 -0.08 -0.69 0.00 0.00 0.00 174.94 174.56 2yxs s VAL 113 N 0.41 1.64 0.24 2.92 1.01 -0.02 -0.67 120.40 125.93 2yxs s VAL 113 Ca 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.86 2yxs s VAL 113 Cb -0.12 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2yxs s VAL 113 CO 0.00 0.01 0.29 -0.38 0.00 0.00 0.00 175.10 175.02 2yxs n ILE 114 N 4.65 0.00 -3.31 2.22 5.41 -0.20 -1.24 119.36 126.89 2yxs n ILE 114 Ca -0.13 -0.84 -0.08 0.00 1.00 0.00 0.00 62.75 62.70 2yxs n ILE 114 Cb 0.45 -0.66 -0.07 0.00 -0.71 0.00 0.00 39.64 38.66 2yxs n ILE 114 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2yxs s VAL 116 N -0.68 -0.66 0.56 1.39 1.01 -0.13 -0.73 120.40 121.15 2yxs s VAL 116 Ca 0.22 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2yxs s VAL 116 Cb -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.54 2yxs s VAL 116 CO 0.14 -0.16 0.77 -0.76 0.00 0.00 0.00 175.10 175.09 2yxs s LEU 117 N 2.58 3.27 0.14 3.92 1.43 0.36 0.13 118.68 130.51 2yxs s LEU 117 Ca 0.13 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 2yxs s LEU 117 Cb -0.14 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2yxs s LEU 117 CO -0.21 -1.25 1.75 0.50 0.23 0.00 0.00 176.35 177.38 2yxs h LYS 118 N 0.15 0.52 -0.01 1.70 1.63 -1.96 -3.28 116.57 115.32 2yxs h LYS 118 Ca -0.36 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2yxs h LYS 118 Cb 1.28 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2yxs h LYS 118 CO 0.44 0.41 -0.57 -0.40 -3.45 0.00 0.00 179.45 175.88 2yxs n ASP 119 N -4.76 1.42 -3.31 4.20 5.75 -1.26 -4.96 116.55 113.63 2yxs n ASP 119 Ca -0.00 -1.21 -0.03 0.00 -0.01 0.00 0.00 54.79 53.53 2yxs n ASP 119 Cb 0.07 0.68 0.02 0.00 -1.03 0.00 0.00 41.12 40.87 2yxs n ASP 119 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2yxs s LYS 120 N -2.36 1.37 -0.03 0.11 -2.85 -1.24 -2.26 119.74 112.48 2yxs s LYS 120 Ca 0.12 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 2yxs s LYS 120 Cb 0.15 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2yxs s LYS 120 CO 0.58 -0.64 0.01 -0.06 0.10 0.00 0.00 175.35 175.33 2yxs s PHE 121 N -2.08 3.13 -0.10 1.78 0.08 0.15 -0.49 117.98 120.45 2yxs s PHE 121 Ca 0.22 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.44 2yxs s PHE 121 Cb -0.03 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2yxs s PHE 121 CO 0.06 0.47 -0.21 -1.14 -0.10 0.00 0.00 175.22 174.31 2yxs s GLN 122 N -1.34 2.69 -0.07 0.44 -0.44 -1.26 -1.27 119.66 118.41 2yxs s GLN 122 Ca 0.18 -0.75 0.04 0.00 -2.50 0.00 0.00 55.36 52.33 2yxs s GLN 122 Cb -0.11 -2.08 -0.00 0.00 -1.64 0.00 0.00 33.01 29.17 2yxs s GLN 122 CO 0.08 0.11 -0.21 0.08 0.50 0.00 0.00 175.29 175.85 2yxs s VAL 123 N 0.49 1.79 -0.01 1.34 1.01 0.04 -4.33 120.40 120.73 2yxs s VAL 123 Ca -0.16 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2yxs s VAL 123 Cb -0.17 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2yxs s VAL 123 CO 0.06 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 2yxs s ALA 124 N 0.18 1.64 -0.10 5.51 0.00 -0.37 -0.28 121.76 128.34 2yxs s ALA 124 Ca -0.11 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2yxs s ALA 124 Cb -0.15 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2yxs s ALA 124 CO 0.05 0.40 -0.19 0.08 0.00 0.00 0.00 175.76 176.11 2yxs s VAL 125 N -0.48 1.69 -1.46 0.00 1.01 -0.25 -0.84 120.40 120.08 2yxs s VAL 125 Ca 0.08 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 2yxs s VAL 125 Cb -0.08 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2yxs s VAL 125 CO -0.01 0.48 0.82 0.59 0.00 0.00 0.00 175.10 176.98 2yxs n ASN 126 N 3.88 -5.58 0.00 3.32 3.02 -0.24 -1.85 115.26 117.80 2yxs n ASN 126 Ca -0.20 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 2yxs n ASN 126 Cb 0.52 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 2yxs n ASN 126 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yxs n GLY 127 N -1.63 0.75 3.22 7.41 0.00 -1.26 -5.03 105.19 108.64 2yxs n GLY 127 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2yxs n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yxs s LYS 128 N -0.01 2.85 0.23 1.61 2.20 -0.77 -5.09 119.74 120.74 2yxs s LYS 128 Ca 0.00 -0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 54.44 2yxs s LYS 128 Cb 0.00 -2.21 -0.14 0.00 -1.51 0.00 0.00 37.83 33.97 2yxs s LYS 128 CO 0.00 0.21 1.27 1.58 -0.36 0.00 0.00 175.35 178.06 2yxs n HIS 129 N 3.41 1.77 0.00 4.03 -0.00 -1.26 -1.09 115.22 122.08 2yxs n HIS 129 Ca -0.19 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 2yxs n HIS 129 Cb 0.53 -2.37 0.00 0.00 -0.00 0.00 0.00 29.99 28.14 2yxs n HIS 129 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2yxs n THR 130 N 1.51 0.00 -3.66 3.57 -1.04 0.62 -4.82 114.28 110.47 2yxs n THR 130 Ca 0.12 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.06 2yxs n THR 130 Cb 0.29 -1.24 -0.02 0.00 -1.82 0.00 0.00 70.33 67.55 2yxs n THR 130 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2yxs s LEU 131 N -5.74 -0.30 0.15 -4.42 0.05 -0.93 -5.02 118.68 102.47 2yxs s LEU 131 Ca 0.00 -0.27 0.10 0.00 0.05 0.00 0.00 54.13 54.00 2yxs s LEU 131 Cb 0.00 2.30 -0.04 0.00 -2.05 0.00 0.00 46.19 46.40 2yxs s LEU 131 CO 0.00 -0.92 -0.22 -0.76 -0.55 0.00 0.00 176.35 173.89 2yxs s LEU 132 N -2.79 2.37 -0.24 1.48 1.43 -1.26 -0.78 118.68 118.89 2yxs s LEU 132 Ca 0.08 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2yxs s LEU 132 Cb -0.02 -1.02 0.13 0.00 0.03 0.00 0.00 46.19 45.31 2yxs s LEU 132 CO -0.02 0.08 0.36 -0.47 0.23 0.00 0.00 176.35 176.52 2yxs s TYR 133 N -1.50 -0.75 0.39 0.29 5.04 -0.40 -4.96 117.35 115.45 2yxs s TYR 133 Ca 0.14 0.66 -0.27 0.00 -2.44 0.00 0.00 57.07 55.16 2yxs s TYR 133 Cb -0.08 -0.07 -0.09 0.00 0.35 0.00 0.00 41.96 42.06 2yxs s TYR 133 CO 0.07 -0.74 1.36 0.20 -1.34 0.00 0.00 175.55 175.10 2yxs s GLY 134 N 2.51 2.95 0.26 8.97 0.00 -1.26 -0.67 107.32 120.07 2yxs s GLY 134 Ca 0.12 1.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 2yxs s GLY 134 CO -0.17 1.96 1.40 0.30 0.00 0.00 0.00 173.10 176.59 2yxs s HIS 135 N -1.20 3.04 -0.04 1.90 0.09 -0.96 -4.88 115.29 113.24 2yxs s HIS 135 Ca 0.55 1.12 0.06 0.00 -0.00 0.00 0.00 55.06 56.79 2yxs s HIS 135 Cb -0.41 -3.78 -0.09 0.00 -0.00 0.00 0.00 32.58 28.31 2yxs s HIS 135 CO 0.54 -2.45 0.08 0.54 -0.00 0.00 0.00 174.74 173.45 2yxs n ARG 136 N 2.03 1.75 -5.02 1.40 1.74 -1.26 -4.95 116.66 112.35 2yxs n ARG 136 Ca 0.05 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 2yxs n ARG 136 Cb 0.41 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.53 2yxs n ARG 136 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2yxs s ILE 137 N -2.29 1.69 0.04 0.55 1.01 -1.26 -5.09 121.20 115.85 2yxs s ILE 137 Ca -0.03 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 59.42 2yxs s ILE 137 Cb 0.03 -1.44 -0.12 0.00 0.01 0.00 0.00 42.46 40.94 2yxs s ILE 137 CO 0.26 0.48 1.77 0.61 0.00 0.00 0.00 174.94 178.06 2yxs n GLY 138 N 3.03 1.39 0.34 6.18 0.00 -1.26 -4.84 105.19 110.03 2yxs n GLY 138 Ca -0.18 0.76 0.20 0.00 0.00 0.00 0.00 46.02 46.81 2yxs n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yxs h PRO 139 N 8.00 0.00 0.00 1.61 0.13 -1.95 -0.74 132.00 139.05 2yxs h PRO 139 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2yxs h PRO 139 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2yxs h PRO 139 CO 0.93 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.85 2yxs n GLU 140 N -3.11 0.02 0.00 0.86 0.00 -1.26 -1.50 120.64 115.65 2yxs n GLU 140 Ca -0.02 0.31 0.14 0.00 0.00 0.00 0.00 57.16 57.59 2yxs n GLU 140 Cb 0.20 -1.55 0.55 0.00 0.00 0.00 0.00 31.44 30.63 2yxs n GLU 140 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yxs n LYS 141 N -1.60 0.63 -3.11 3.44 5.02 -0.28 -4.83 118.16 117.43 2yxs n LYS 141 Ca 0.03 -0.25 -0.40 0.00 -2.02 0.00 0.00 58.31 55.67 2yxs n LYS 141 Cb 0.15 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 2yxs n LYS 141 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2yxs s ILE 142 N -2.54 5.04 0.00 -0.18 1.01 -0.56 -4.23 121.20 119.74 2yxs s ILE 142 Ca 0.26 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2yxs s ILE 142 Cb 0.20 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2yxs s ILE 142 CO 0.50 0.18 0.28 -0.90 0.00 0.00 0.00 174.94 175.00 2yxs n ASP 143 N 4.47 0.02 -3.86 3.58 5.68 -0.71 -4.63 116.55 121.11 2yxs n ASP 143 Ca -0.02 -1.01 -0.13 0.00 -0.50 0.00 0.00 54.79 53.14 2yxs n ASP 143 Cb 0.50 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.34 2yxs n ASP 143 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2yxs s THR 144 N -0.01 0.01 -0.14 2.12 2.01 -0.96 -0.63 115.64 118.04 2yxs s THR 144 Ca 0.00 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 2yxs s THR 144 Cb 0.00 -0.04 -0.02 0.00 0.01 0.00 0.00 72.50 72.45 2yxs s THR 144 CO 0.00 0.02 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.65 2yxs s LEU 145 N 0.20 2.98 -0.02 4.42 2.96 -0.01 -0.07 118.68 129.14 2yxs s LEU 145 Ca -0.02 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2yxs s LEU 145 Cb -0.03 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2yxs s LEU 145 CO -0.01 0.17 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.17 2yxs s GLY 146 N 0.35 0.95 -0.09 7.98 0.00 0.95 -1.58 107.32 115.88 2yxs s GLY 146 Ca -0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.83 2yxs s GLY 146 CO 0.04 -0.63 -0.05 -0.42 0.00 0.00 0.00 173.10 172.04 2yxs s ILE 147 N -0.36 0.77 0.13 0.90 1.01 0.29 0.46 121.20 124.39 2yxs s ILE 147 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2yxs s ILE 147 Cb -0.08 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2yxs s ILE 147 CO -0.00 0.32 -0.01 -0.31 0.00 0.00 0.00 174.94 174.93 2yxs s TYR 148 N 1.63 0.96 0.00 3.97 2.02 -0.47 -1.01 117.35 124.45 2yxs s TYR 148 Ca 0.02 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.68 2yxs s TYR 148 Cb -0.13 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 2yxs s TYR 148 CO -0.05 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 2yxs n GLY 149 N -0.11 -1.28 3.48 0.71 0.00 -1.26 0.60 105.19 107.33 2yxs n GLY 149 Ca -0.09 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 2yxs n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yxs s LYS 150 N -0.01 3.40 -0.14 1.61 1.02 0.01 -4.91 119.74 120.72 2yxs s LYS 150 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 2yxs s LYS 150 Cb 0.00 -4.72 0.08 0.00 -0.52 0.00 0.00 37.83 32.67 2yxs s LYS 150 CO 0.00 -1.90 0.76 0.54 -0.92 0.00 0.00 175.35 173.83 2yxs s VAL 151 N 3.83 0.00 -0.23 3.17 0.11 -1.26 -4.48 120.40 121.54 2yxs s VAL 151 Ca 0.32 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.32 2yxs s VAL 151 Cb -0.08 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2yxs s VAL 151 CO -0.01 0.00 -0.02 0.20 -3.33 0.00 0.00 175.10 171.94 2yxs s ASN 152 N -0.67 4.50 -0.24 3.54 0.01 -0.64 -4.89 114.94 116.55 2yxs s ASN 152 Ca -0.06 -0.35 -0.09 0.00 -0.71 0.00 0.00 52.86 51.66 2yxs s ASN 152 Cb -0.02 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.82 2yxs s ASN 152 CO 0.05 -0.02 0.11 -0.63 -1.51 0.00 0.00 177.10 175.10 2yxs s ILE 153 N 1.51 4.77 -0.06 0.60 -1.09 -1.26 -0.27 121.20 125.39 2yxs s ILE 153 Ca 0.06 -0.02 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 2yxs s ILE 153 Cb -0.14 -3.23 -0.30 0.00 -1.58 0.00 0.00 42.46 37.21 2yxs s ILE 153 CO -0.02 0.34 0.66 0.45 -1.23 0.00 0.00 174.94 175.15 2yxs h HIS 154 N 7.89 0.63 -2.29 3.97 3.86 -0.92 -3.30 115.15 124.99 2yxs h HIS 154 Ca -0.37 -0.46 -0.05 0.00 -1.16 0.00 0.00 60.37 58.33 2yxs h HIS 154 Cb 1.18 -0.03 -0.17 0.00 1.06 0.00 0.00 27.41 29.45 2yxs h HIS 154 CO 0.67 1.60 0.19 -1.54 0.86 0.00 0.00 177.93 179.72 2yxs s SER 155 N -7.20 -0.63 -0.07 2.45 1.04 -0.98 -0.76 113.70 107.55 2yxs s SER 155 Ca -0.17 0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.79 2yxs s SER 155 Cb 0.05 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2yxs s SER 155 CO 0.83 -0.71 -0.10 -0.63 0.98 0.00 0.00 173.24 173.60 2yxs s ILE 156 N -1.92 1.04 0.05 -1.02 1.01 0.43 -1.53 121.20 119.25 2yxs s ILE 156 Ca -0.08 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 2yxs s ILE 156 Cb -0.00 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2yxs s ILE 156 CO 0.03 0.34 -0.04 -0.83 0.00 0.00 0.00 174.94 174.45 2yxs s GLY 157 N 0.89 0.44 0.02 6.18 0.00 0.17 -0.38 107.32 114.64 2yxs s GLY 157 Ca -0.11 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.64 2yxs s GLY 157 CO 0.01 -1.12 -0.15 -1.36 0.00 0.00 0.00 173.10 170.48 2yxs s PHE 158 N -3.03 1.33 -0.10 1.90 0.08 -0.79 -0.73 117.98 116.64 2yxs s PHE 158 Ca -0.00 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 2yxs s PHE 158 Cb 0.01 -0.81 0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2yxs s PHE 158 CO -0.06 0.02 0.01 0.45 -0.10 0.00 0.00 175.22 175.54 2yxs s SER 159 N -0.87 1.91 0.85 1.36 0.15 -0.40 -0.82 113.70 115.87 2yxs s SER 159 Ca 0.04 -0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 2yxs s SER 159 Cb -0.07 -0.49 0.10 0.00 -1.71 0.00 0.00 66.02 63.85 2yxs s SER 159 CO 0.01 -0.22 1.10 -0.83 1.20 0.00 0.00 173.24 174.50 2yxs s GLY 160 N 1.94 1.62 0.41 9.45 0.00 -1.26 -0.26 107.32 119.21 2yxs s GLY 160 Ca 0.04 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.68 2yxs s GLY 160 CO -0.06 0.30 2.01 -2.55 0.00 0.00 0.00 173.10 172.80 2yxs h PRO 161 N -1.33 0.54 -0.64 2.90 0.11 -1.82 -2.66 132.00 129.09 2yxs h PRO 161 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2yxs h PRO 161 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2yxs h PRO 161 CO 0.57 0.36 0.00 0.43 -0.21 0.00 0.00 178.00 179.15 2yxs n SER 162 N -4.47 4.59 -4.77 -2.05 7.64 -1.26 -4.98 113.62 108.32 2yxs n SER 162 Ca 0.07 -2.58 -0.40 0.00 1.01 0.00 0.00 58.87 56.96 2yxs n SER 162 Cb 0.19 -0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2yxs n SER 162 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yxs s SER 163 N -0.74 6.29 0.00 6.43 0.01 -1.01 -5.27 113.70 119.41 2yxs s SER 163 Ca 0.45 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.55 2yxs s SER 163 Cb 0.32 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2yxs s SER 163 CO 0.17 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.55