#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxb s SER 2 N 0.00 6.55 -0.18 1.61 1.04 -1.26 -4.95 113.70 116.52 1wxb s SER 2 Ca 0.00 2.80 -0.14 0.00 0.48 0.00 0.00 55.95 59.09 1wxb s SER 2 Cb 0.00 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 1wxb s SER 2 CO 0.00 -0.76 -0.13 -0.24 0.98 0.00 0.00 173.24 173.09 1wxb n SER 3 N 1.78 1.86 -4.43 7.02 2.88 -1.26 -4.98 113.62 116.49 1wxb n SER 3 Ca 0.05 0.50 -0.30 0.00 -1.33 0.00 0.00 58.87 57.79 1wxb n SER 3 Cb 0.40 -0.87 -0.13 0.00 -0.75 0.00 0.00 64.21 62.87 1wxb n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wxb s GLY 4 N -4.65 1.59 -0.01 0.46 0.00 -1.26 -5.02 107.32 98.43 1wxb s GLY 4 Ca -0.23 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.25 1wxb s GLY 4 CO 0.38 -1.29 0.25 -1.14 0.00 0.00 0.00 173.10 171.30 1wxb n SER 5 N 1.13 2.39 -3.82 1.64 3.41 -1.26 -4.88 113.62 112.23 1wxb n SER 5 Ca -0.17 -0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.07 1wxb n SER 5 Cb 0.53 1.42 -0.15 0.00 -0.26 0.00 0.00 64.21 65.75 1wxb n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wxb s SER 6 N -3.06 3.98 0.00 4.04 1.04 -1.26 -5.07 113.70 113.37 1wxb s SER 6 Ca -0.03 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1wxb s SER 6 Cb 0.07 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1wxb s SER 6 CO 0.43 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wxb n GLY 7 N 4.74 2.55 3.36 7.32 0.00 -1.26 -5.18 105.19 116.72 1wxb n GLY 7 Ca -0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1wxb n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wxb s LYS 8 N 4.05 1.48 0.22 1.61 2.36 -1.26 -5.17 119.74 123.03 1wxb s LYS 8 Ca 0.00 -1.80 -0.07 0.00 -2.55 0.00 0.00 55.97 51.55 1wxb s LYS 8 Cb 0.00 -0.45 -0.02 0.00 -1.05 0.00 0.00 37.83 36.31 1wxb s LYS 8 CO 0.00 -0.26 0.30 0.71 1.55 0.00 0.00 175.35 177.66 1wxb s TYR 9 N -3.61 0.75 -0.02 4.03 2.02 -1.26 -4.17 117.35 115.08 1wxb s TYR 9 Ca 0.37 -1.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1wxb s TYR 9 Cb 0.08 -0.18 -0.00 0.00 -0.40 0.00 0.00 41.96 41.46 1wxb s TYR 9 CO 0.14 -0.81 -0.11 0.54 -1.57 0.00 0.00 175.55 173.74 1wxb s VAL 10 N -4.08 0.90 -0.38 0.71 0.11 -1.16 -3.80 120.40 112.68 1wxb s VAL 10 Ca 0.30 -0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 1wxb s VAL 10 Cb 0.03 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1wxb s VAL 10 CO 0.10 0.27 0.22 -0.75 -3.33 0.00 0.00 175.10 171.61 1wxb s LYS 11 N -0.03 2.81 0.28 1.54 2.36 -1.16 -1.74 119.74 123.81 1wxb s LYS 11 Ca 0.00 -1.12 -0.29 0.00 -2.55 0.00 0.00 55.97 52.01 1wxb s LYS 11 Cb -0.07 -3.76 -0.14 0.00 -1.05 0.00 0.00 37.83 32.81 1wxb s LYS 11 CO 0.00 -0.73 1.19 -0.89 1.55 0.00 0.00 175.35 176.47 1wxb n ILE 12 N 5.01 1.65 -0.10 5.43 2.08 0.34 -3.94 119.36 129.82 1wxb n ILE 12 Ca -0.12 -0.41 -0.13 0.00 0.56 0.00 0.00 62.75 62.65 1wxb n ILE 12 Cb 0.46 -1.24 -0.11 0.00 -0.75 0.00 0.00 39.64 37.99 1wxb n ILE 12 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wxb n LEU 13 N 1.38 2.08 -4.11 1.39 4.77 -1.00 -2.67 117.00 118.83 1wxb n LEU 13 Ca 0.09 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 1wxb n LEU 13 Cb 0.32 -0.41 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1wxb n LEU 13 CO 0.61 0.74 -0.49 -0.31 -1.33 0.00 0.00 177.39 176.61 1wxb s TYR 14 N -2.43 1.57 0.01 -1.77 1.51 -1.26 -4.64 117.35 110.34 1wxb s TYR 14 Ca -0.23 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.09 1wxb s TYR 14 Cb 0.07 -1.06 -0.08 0.00 -0.11 0.00 0.00 41.96 40.78 1wxb s TYR 14 CO 0.57 -0.15 1.78 0.16 -1.11 0.00 0.00 175.55 176.80 1wxb s ASP 15 N 0.04 6.56 -0.04 2.29 -4.77 -1.26 -4.61 116.67 114.89 1wxb s ASP 15 Ca -0.03 2.47 0.04 0.00 -3.30 0.00 0.00 52.55 51.73 1wxb s ASP 15 Cb -0.11 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.16 1wxb s ASP 15 CO 0.02 -0.97 -0.15 0.12 0.70 0.00 0.00 175.17 174.89 1wxb s PHE 16 N 3.86 2.69 -0.50 2.11 5.36 -0.93 -4.92 117.98 125.65 1wxb s PHE 16 Ca 0.79 -0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 56.56 1wxb s PHE 16 Cb -0.39 -1.62 0.13 0.00 -0.34 0.00 0.00 43.02 40.81 1wxb s PHE 16 CO 0.35 0.19 0.31 0.99 -1.46 0.00 0.00 175.22 175.60 1wxb s THR 17 N -0.75 3.56 -0.48 0.12 2.01 -1.26 -1.60 115.64 117.24 1wxb s THR 17 Ca 0.12 -2.37 -0.45 0.00 0.31 0.00 0.00 61.69 59.29 1wxb s THR 17 Cb -0.11 -3.38 -0.19 0.00 0.01 0.00 0.00 72.50 68.83 1wxb s THR 17 CO 0.01 -0.77 1.82 0.00 -0.69 0.00 0.00 174.62 174.99 1wxb n ALA 18 N 4.20 -0.65 0.13 7.40 0.00 -1.24 -4.78 120.51 125.57 1wxb n ALA 18 Ca 0.01 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 1wxb n ALA 18 Cb 0.40 -2.01 0.20 0.00 0.00 0.00 0.00 19.45 18.03 1wxb n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wxb h ARG 19 N 6.78 0.09 0.00 0.00 2.47 -1.91 -3.47 114.38 118.35 1wxb h ARG 19 Ca -0.31 -0.06 -0.30 0.00 -1.26 0.00 0.00 59.98 58.05 1wxb h ARG 19 Cb 1.38 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.63 1wxb h ARG 19 CO 1.02 0.62 -0.29 0.09 0.56 0.00 0.00 179.97 181.96 1wxb n ASN 20 N -3.90 -0.46 -0.00 7.04 3.02 -1.26 -5.04 115.26 114.66 1wxb n ASN 20 Ca -0.02 -2.38 -0.12 0.00 -0.03 0.00 0.00 54.58 52.03 1wxb n ASN 20 Cb 0.56 1.07 -0.08 0.00 -0.61 0.00 0.00 39.78 40.72 1wxb n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wxb h ALA 21 N 1.68 0.04 -1.36 5.41 0.00 -2.00 -2.37 119.26 120.66 1wxb h ALA 21 Ca -0.15 -0.15 0.40 0.00 0.00 0.00 0.00 54.91 55.00 1wxb h ALA 21 Cb 0.76 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1wxb h ALA 21 CO 0.22 -0.30 0.97 -2.95 0.00 0.00 0.00 179.25 177.19 1wxb h ASN 22 N -0.23 0.04 -3.28 0.00 7.08 -1.95 -3.39 115.58 113.85 1wxb h ASN 22 Ca 0.01 0.01 -0.53 0.00 -3.08 0.00 0.00 56.30 52.71 1wxb h ASN 22 Cb 0.30 0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 36.53 1wxb h ASN 22 CO 0.00 -0.00 -0.13 -1.61 -2.08 0.00 0.00 177.43 173.60 1wxb s GLU 23 N -4.97 3.68 -0.09 4.14 2.02 -0.89 0.18 118.70 122.77 1wxb s GLU 23 Ca -0.05 0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 1wxb s GLU 23 Cb 0.24 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 1wxb s GLU 23 CO 0.83 0.24 -0.05 -1.17 0.02 0.00 0.00 175.26 175.13 1wxb s LEU 24 N -3.33 3.27 -0.29 1.80 2.96 -1.18 -4.60 118.68 117.30 1wxb s LEU 24 Ca 0.45 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.19 1wxb s LEU 24 Cb -0.11 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1wxb s LEU 24 CO 0.27 0.33 0.45 -0.94 -1.32 0.00 0.00 176.35 175.15 1wxb s SER 25 N -0.63 6.32 0.38 3.68 1.04 -1.26 -3.73 113.70 119.50 1wxb s SER 25 Ca 0.10 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1wxb s SER 25 Cb -0.12 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1wxb s SER 25 CO 0.02 -0.30 0.10 0.68 0.98 0.00 0.00 173.24 174.72 1wxb s VAL 26 N 2.22 0.83 0.46 5.02 -7.23 -0.63 -4.91 120.40 116.16 1wxb s VAL 26 Ca 0.17 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1wxb s VAL 26 Cb -0.16 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1wxb s VAL 26 CO 0.11 0.00 0.08 -0.76 -0.31 0.00 0.00 175.10 174.22 1wxb s LEU 27 N -3.58 2.10 0.22 1.32 1.43 -1.26 -2.20 118.68 116.71 1wxb s LEU 27 Ca 0.27 -1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 51.42 1wxb s LEU 27 Cb 0.05 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.84 1wxb s LEU 27 CO 0.14 -0.93 0.83 -0.75 0.23 0.00 0.00 176.35 175.88 1wxb s LYS 28 N -3.77 4.59 -0.66 1.70 2.20 -1.26 -3.44 119.74 119.09 1wxb s LYS 28 Ca 0.15 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1wxb s LYS 28 Cb 0.02 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1wxb s LYS 28 CO 0.09 0.48 0.00 -3.47 -0.36 0.00 0.00 175.35 172.10 1wxb n ASP 29 N 1.25 -3.12 -4.83 1.43 2.03 -1.09 -4.97 116.55 107.25 1wxb n ASP 29 Ca -0.03 0.06 -0.23 0.00 0.52 0.00 0.00 54.79 55.11 1wxb n ASP 29 Cb 0.49 -2.00 -0.04 0.00 -0.72 0.00 0.00 41.12 38.84 1wxb n ASP 29 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wxb s GLU 30 N -3.71 2.97 -0.14 -0.67 2.02 -1.22 -4.91 118.70 113.03 1wxb s GLU 30 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 1wxb s GLU 30 Cb 0.00 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 31.65 1wxb s GLU 30 CO 0.00 0.43 -0.02 0.08 0.02 0.00 0.00 175.26 175.77 1wxb s VAL 31 N -2.01 0.81 0.57 2.63 1.01 -1.26 0.13 120.40 122.27 1wxb s VAL 31 Ca 0.32 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1wxb s VAL 31 Cb -0.09 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.33 1wxb s VAL 31 CO 0.25 0.11 0.57 -0.76 0.00 0.00 0.00 175.10 175.27 1wxb s LEU 32 N 1.77 2.83 -0.33 3.92 2.01 -0.71 -4.95 118.68 123.22 1wxb s LEU 32 Ca 0.02 -1.11 -0.08 0.00 0.01 0.00 0.00 54.13 52.97 1wxb s LEU 32 Cb -0.15 -1.32 0.02 0.00 0.01 0.00 0.00 46.19 44.75 1wxb s LEU 32 CO -0.07 -1.24 0.13 -0.70 1.01 0.00 0.00 176.35 175.48 1wxb s GLU 33 N -4.46 2.96 0.12 1.70 2.12 -1.11 -3.01 118.70 117.03 1wxb s GLU 33 Ca 0.45 -0.96 -0.31 0.00 0.36 0.00 0.00 54.97 54.52 1wxb s GLU 33 Cb -0.04 -3.50 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1wxb s GLU 33 CO 0.28 -0.55 1.26 0.54 -0.54 0.00 0.00 175.26 176.26 1wxb s VAL 34 N 1.51 3.63 -0.06 3.70 0.11 -1.26 -1.47 120.40 126.56 1wxb s VAL 34 Ca 0.02 1.24 -0.01 0.00 -2.93 0.00 0.00 61.98 60.29 1wxb s VAL 34 Cb -0.18 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1wxb s VAL 34 CO 0.04 0.13 -0.06 0.18 -3.33 0.00 0.00 175.10 172.06 1wxb n LEU 35 N 3.41 1.75 -4.13 2.54 4.77 -0.22 -4.89 117.00 120.24 1wxb n LEU 35 Ca 0.08 0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 1wxb n LEU 35 Cb 0.44 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1wxb n LEU 35 CO 0.57 0.37 -0.53 -1.61 -1.33 0.00 0.00 177.39 174.86 1wxb s GLU 36 N -2.11 2.78 0.40 3.23 2.02 -1.21 -4.98 118.70 118.83 1wxb s GLU 36 Ca -0.08 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1wxb s GLU 36 Cb 0.03 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 1wxb s GLU 36 CO 0.12 -0.07 0.11 0.16 0.02 0.00 0.00 175.26 175.60 1wxb s ASP 37 N 0.98 2.80 -1.13 -0.19 1.47 -1.26 -2.60 116.67 116.74 1wxb s ASP 37 Ca -0.04 -1.62 0.00 0.00 1.18 0.00 0.00 52.55 52.07 1wxb s ASP 37 Cb -0.15 0.41 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 1wxb s ASP 37 CO -0.04 -0.87 0.00 0.61 0.68 0.00 0.00 175.17 175.54 1wxb n GLY 38 N -0.90 1.19 3.37 2.12 0.00 -1.26 -4.99 105.19 104.72 1wxb n GLY 38 Ca -0.06 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 1wxb n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wxb s ARG 39 N -2.82 1.40 0.02 1.61 3.52 -1.26 -5.06 118.95 116.35 1wxb s ARG 39 Ca 0.00 -1.68 -0.05 0.00 -0.13 0.00 0.00 55.73 53.87 1wxb s ARG 39 Cb 0.00 -0.95 -0.01 0.00 -1.56 0.00 0.00 34.95 32.43 1wxb s ARG 39 CO 0.00 0.04 1.02 1.04 -0.81 0.00 0.00 175.30 176.59 1wxb n GLN 40 N -0.46 -0.07 -4.69 5.12 6.02 -1.26 -4.33 117.38 117.71 1wxb n GLN 40 Ca -0.06 1.02 -0.33 0.00 -0.01 0.00 0.00 57.00 57.61 1wxb n GLN 40 Cb 0.63 -1.52 -0.12 0.00 1.02 0.00 0.00 30.24 30.24 1wxb n GLN 40 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1wxb s TRP 41 N -3.39 2.87 0.51 1.08 0.52 -1.26 -4.31 118.94 114.96 1wxb s TRP 41 Ca -0.02 -0.13 -0.10 0.00 0.02 0.00 0.00 56.10 55.86 1wxb s TRP 41 Cb 0.02 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 1wxb s TRP 41 CO 0.09 0.19 0.90 -1.58 0.02 0.00 0.00 176.95 176.57 1wxb s TRP 42 N -0.54 3.54 -0.38 -1.98 0.52 -0.71 -4.77 118.94 114.61 1wxb s TRP 42 Ca 0.08 1.14 0.00 0.00 0.02 0.00 0.00 56.10 57.34 1wxb s TRP 42 Cb -0.12 -2.56 0.11 0.00 -1.15 0.00 0.00 33.47 29.75 1wxb s TRP 42 CO 0.02 -0.38 0.14 0.21 0.02 0.00 0.00 176.95 176.96 1wxb s LYS 43 N -4.54 1.78 0.45 4.98 2.20 -1.07 -1.52 119.74 122.02 1wxb s LYS 43 Ca 0.53 -1.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.31 1wxb s LYS 43 Cb -0.10 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1wxb s LYS 43 CO 0.42 -1.02 0.64 -0.51 -0.36 0.00 0.00 175.35 174.52 1wxb s LEU 44 N 1.02 3.61 -0.05 5.43 2.01 -0.94 -1.05 118.68 128.71 1wxb s LEU 44 Ca 0.10 -0.01 -0.01 0.00 0.01 0.00 0.00 54.13 54.22 1wxb s LEU 44 Cb -0.21 -2.91 0.03 0.00 0.01 0.00 0.00 46.19 43.10 1wxb s LEU 44 CO -0.06 -0.78 0.02 -0.60 1.01 0.00 0.00 176.35 175.94 1wxb s ARG 45 N -4.50 0.32 0.92 1.70 3.52 -0.54 -2.26 118.95 118.10 1wxb s ARG 45 Ca 0.51 0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 56.17 1wxb s ARG 45 Cb -0.10 -0.69 0.14 0.00 -1.56 0.00 0.00 34.95 32.74 1wxb s ARG 45 CO 0.36 -0.26 1.12 0.45 -0.81 0.00 0.00 175.30 176.15 1wxb s SER 46 N 1.76 3.39 0.37 -2.12 0.15 0.11 -2.76 113.70 114.59 1wxb s SER 46 Ca 0.01 1.10 0.27 0.00 0.70 0.00 0.00 55.95 58.03 1wxb s SER 46 Cb -0.13 -1.72 1.06 0.00 -1.71 0.00 0.00 66.02 63.52 1wxb s SER 46 CO -0.03 -2.64 1.81 0.03 1.20 0.00 0.00 173.24 173.60 1wxb h ARG 47 N -1.56 0.00 0.00 5.44 2.47 -1.92 -2.42 114.38 116.39 1wxb h ARG 47 Ca -0.51 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.17 1wxb h ARG 47 Cb 1.32 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1wxb h ARG 47 CO 0.60 0.00 -0.17 0.77 0.56 0.00 0.00 179.97 181.73 1wxb h SER 48 N 0.00 0.00 0.00 7.04 0.02 -2.04 -3.46 113.55 115.12 1wxb h SER 48 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wxb h SER 48 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1wxb h SER 48 CO 0.00 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1wxb n GLY 49 N -0.10 1.30 3.93 -3.77 0.00 -0.91 -5.11 105.19 100.53 1wxb n GLY 49 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wxb n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxb s GLN 50 N -0.17 3.45 -0.02 1.61 1.11 -1.25 -4.93 119.66 119.45 1wxb s GLN 50 Ca 0.00 -0.50 -0.00 0.00 0.01 0.00 0.00 55.36 54.87 1wxb s GLN 50 Cb 0.00 -2.99 0.03 0.00 -1.01 0.00 0.00 33.01 29.04 1wxb s GLN 50 CO 0.00 0.55 0.03 0.00 0.01 0.00 0.00 175.29 175.89 1wxb s ALA 51 N -1.64 0.05 0.32 6.09 0.00 -1.26 -0.71 121.76 124.60 1wxb s ALA 51 Ca 0.35 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 1wxb s ALA 51 Cb -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1wxb s ALA 51 CO 0.28 -0.10 0.50 0.20 0.00 0.00 0.00 175.76 176.64 1wxb s GLY 52 N 0.95 1.11 -0.04 0.00 0.00 -0.96 -4.87 107.32 103.51 1wxb s GLY 52 Ca -0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 1wxb s GLY 52 CO -0.03 -0.83 0.05 -0.19 0.00 0.00 0.00 173.10 172.10 1wxb s TYR 53 N -3.26 3.25 0.13 1.90 2.02 0.49 -2.22 117.35 119.66 1wxb s TYR 53 Ca 0.27 0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 57.13 1wxb s TYR 53 Cb -0.01 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1wxb s TYR 53 CO 0.16 0.53 0.18 0.14 -1.57 0.00 0.00 175.55 174.99 1wxb s VAL 54 N -1.07 0.10 0.33 0.71 -7.23 -0.58 -3.13 120.40 109.54 1wxb s VAL 54 Ca 0.19 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 1wxb s VAL 54 Cb -0.12 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1wxb s VAL 54 CO 0.09 -0.46 1.07 -2.16 -0.31 0.00 0.00 175.10 173.33 1wxb s PRO 55 N -3.97 4.45 0.00 4.82 0.04 -1.26 -1.75 135.00 137.33 1wxb s PRO 55 Ca 0.17 1.67 0.30 0.00 0.04 0.00 0.00 61.00 63.17 1wxb s PRO 55 Cb 0.05 -2.93 1.56 0.00 0.04 0.00 0.00 34.50 33.23 1wxb s PRO 55 CO -0.02 0.08 2.05 0.00 0.04 0.00 0.00 177.00 179.15 1wxb h ASN 57 N 0.00 0.88 1.02 0.00 -1.24 -1.92 -2.70 115.58 111.62 1wxb h ASN 57 Ca 0.00 -0.26 -0.10 0.00 0.71 0.00 0.00 56.30 56.65 1wxb h ASN 57 Cb 0.22 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1wxb h ASN 57 CO 0.00 0.98 -1.03 0.16 -1.29 0.00 0.00 177.43 176.25 1wxb h ILE 58 N 0.81 0.40 -4.03 2.57 3.07 -1.93 -3.47 117.51 114.92 1wxb h ILE 58 Ca 0.14 -1.70 -0.49 0.00 1.55 0.00 0.00 64.86 64.36 1wxb h ILE 58 Cb 0.58 1.96 0.18 0.00 -0.27 0.00 0.00 36.82 39.26 1wxb h ILE 58 CO 0.04 0.23 0.21 -0.76 -1.05 0.00 0.00 178.15 176.81 1wxb s LEU 59 N -5.83 2.34 -0.03 0.16 1.43 -1.02 -2.37 118.68 113.36 1wxb s LEU 59 Ca -0.00 1.82 -0.29 0.00 -1.03 0.00 0.00 54.13 54.63 1wxb s LEU 59 Cb 0.08 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.22 1wxb s LEU 59 CO 0.78 -3.02 0.78 -0.83 0.23 0.00 0.00 176.35 174.29 1wxb s GLY 60 N -2.95 -0.49 0.16 -3.19 0.00 -1.25 -4.84 107.32 94.75 1wxb s GLY 60 Ca 0.65 1.30 -0.32 0.00 0.00 0.00 0.00 44.72 46.35 1wxb s GLY 60 CO 0.59 0.73 1.56 -0.54 0.00 0.00 0.00 173.10 175.44 1wxb s GLU 61 N -1.94 4.22 -0.21 2.90 2.02 -1.26 -2.97 118.70 121.46 1wxb s GLU 61 Ca -0.04 2.35 -0.08 0.00 0.02 0.00 0.00 54.97 57.23 1wxb s GLU 61 Cb -0.00 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1wxb s GLU 61 CO 0.01 -0.60 0.07 0.00 0.02 0.00 0.00 175.26 174.75 1wxb s ALA 62 N 1.16 3.34 0.07 5.21 0.00 -1.25 -4.72 121.76 125.57 1wxb s ALA 62 Ca 0.70 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1wxb s ALA 62 Cb -0.44 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1wxb s ALA 62 CO 0.31 -0.05 0.07 -1.54 0.00 0.00 0.00 175.76 174.56 1wxb s SER 63 N 0.80 0.32 0.32 0.00 1.04 -1.26 -4.82 113.70 110.10 1wxb s SER 63 Ca 0.04 -0.85 0.10 0.00 0.48 0.00 0.00 55.95 55.72 1wxb s SER 63 Cb -0.13 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 1wxb s SER 63 CO 0.02 -0.66 -0.08 -0.83 0.98 0.00 0.00 173.24 172.67 1wxb s GLY 64 N -2.90 2.06 -0.07 7.32 0.00 -1.26 -5.07 107.32 107.39 1wxb s GLY 64 Ca 0.07 -1.98 -0.21 0.00 0.00 0.00 0.00 44.72 42.60 1wxb s GLY 64 CO -0.10 -1.96 0.79 -0.56 0.00 0.00 0.00 173.10 171.27 1wxb h PRO 65 N 2.00 -0.12 -3.68 2.90 0.13 -2.07 -3.42 132.00 127.74 1wxb h PRO 65 Ca -0.42 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.09 1wxb h PRO 65 Cb 1.25 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 32.01 1wxb h PRO 65 CO 0.66 0.41 -0.71 -1.12 -0.23 0.00 0.00 178.00 177.01 1wxb s SER 66 N -5.68 4.20 -0.30 1.44 0.01 -1.26 -5.01 113.70 107.11 1wxb s SER 66 Ca -0.13 -2.37 -0.06 0.00 1.31 0.00 0.00 55.95 54.70 1wxb s SER 66 Cb -0.00 -1.31 0.19 0.00 0.21 0.00 0.00 66.02 65.11 1wxb s SER 66 CO 0.49 -0.32 0.92 -0.94 0.41 0.00 0.00 173.24 173.80 1wxb s SER 67 N 0.63 -0.74 0.00 2.44 1.04 -1.26 -5.29 113.70 110.52 1wxb s SER 67 Ca 0.14 0.05 0.28 0.00 0.48 0.00 0.00 55.95 56.90 1wxb s SER 67 Cb -0.22 1.42 1.07 0.00 0.10 0.00 0.00 66.02 68.39 1wxb s SER 67 CO -0.08 -0.13 1.75 0.61 0.98 0.00 0.00 173.24 176.38