#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxb n SER 2 N 0.00 -8.15 0.00 1.61 2.88 -1.26 -4.64 113.62 104.06 1wxb n SER 2 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1wxb n SER 2 Cb 0.00 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 1wxb n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wxb n SER 3 N -4.33 0.00 0.00 -3.46 7.64 -1.26 -4.81 113.62 107.40 1wxb n SER 3 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wxb n SER 3 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1wxb n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxb n GLY 4 N 0.00 0.43 3.15 0.23 0.00 -1.26 -5.07 105.19 102.66 1wxb n GLY 4 Ca 0.00 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 43.78 1wxb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wxb s SER 5 N -2.89 -0.12 -0.41 1.61 0.15 -1.26 -4.89 113.70 105.89 1wxb s SER 5 Ca 0.00 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.71 1wxb s SER 5 Cb 0.00 1.09 0.12 0.00 -1.71 0.00 0.00 66.02 65.52 1wxb s SER 5 CO 0.00 -0.02 0.19 -0.44 1.20 0.00 0.00 173.24 174.17 1wxb s SER 6 N 2.99 3.89 0.00 5.45 0.01 -1.26 -5.08 113.70 119.70 1wxb s SER 6 Ca 0.13 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 54.98 1wxb s SER 6 Cb -0.04 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1wxb s SER 6 CO -0.15 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1wxb n GLY 7 N 3.84 5.51 3.66 3.44 0.00 -1.26 -5.17 105.19 115.21 1wxb n GLY 7 Ca 0.06 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 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 1.73 2.35 0.27 1.61 2.20 -1.26 -5.14 119.74 121.49 1wxb s LYS 8 Ca 0.00 -1.32 0.02 0.00 -0.36 0.00 0.00 55.97 54.30 1wxb s LYS 8 Cb 0.00 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1wxb s LYS 8 CO 0.00 0.39 0.14 0.71 -0.36 0.00 0.00 175.35 176.22 1wxb s TYR 9 N -2.16 1.49 0.12 4.03 2.02 -1.26 -3.83 117.35 117.76 1wxb s TYR 9 Ca 0.30 -1.32 0.06 0.00 -0.37 0.00 0.00 57.07 55.75 1wxb s TYR 9 Cb -0.07 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 1wxb s TYR 9 CO 0.20 -0.50 -0.15 0.54 -1.57 0.00 0.00 175.55 174.07 1wxb s VAL 10 N -3.78 1.41 -0.18 0.71 0.11 -0.49 -3.49 120.40 114.70 1wxb s VAL 10 Ca 0.37 -1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 57.70 1wxb s VAL 10 Cb 0.06 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.36 1wxb s VAL 10 CO 0.15 -0.36 -0.09 -0.75 -3.33 0.00 0.00 175.10 170.72 1wxb s LYS 11 N -2.57 3.35 -0.12 1.54 2.20 -1.26 -1.59 119.74 121.28 1wxb s LYS 11 Ca 0.09 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1wxb s LYS 11 Cb -0.06 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1wxb s LYS 11 CO 0.04 -0.03 1.47 0.42 -0.36 0.00 0.00 175.35 176.88 1wxb s ILE 12 N 1.01 3.92 -0.28 5.43 -1.09 0.57 -2.84 121.20 127.92 1wxb s ILE 12 Ca -0.01 1.10 0.22 0.00 -2.23 0.00 0.00 60.65 59.73 1wxb s ILE 12 Cb -0.15 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.08 1wxb s ILE 12 CO -0.01 -0.12 1.19 -0.07 -1.23 0.00 0.00 174.94 174.69 1wxb h LEU 13 N 10.14 0.00 -7.36 2.97 3.38 -1.55 -1.87 115.31 121.03 1wxb h LEU 13 Ca -0.33 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 1wxb h LEU 13 Cb 1.14 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.63 1wxb h LEU 13 CO 0.97 0.05 -0.34 -0.31 0.09 0.00 0.00 178.44 178.90 1wxb s TYR 14 N -3.29 -0.40 0.28 1.13 2.02 -1.26 -4.82 117.35 111.01 1wxb s TYR 14 Ca 0.01 0.95 -0.30 0.00 -0.37 0.00 0.00 57.07 57.37 1wxb s TYR 14 Cb 0.08 0.14 -0.11 0.00 -0.40 0.00 0.00 41.96 41.68 1wxb s TYR 14 CO 0.76 -0.21 1.48 0.16 -1.57 0.00 0.00 175.55 176.17 1wxb s ASP 15 N 0.53 6.55 -0.03 2.29 -4.77 -1.26 -4.60 116.67 115.37 1wxb s ASP 15 Ca -0.03 2.79 0.04 0.00 -3.30 0.00 0.00 52.55 52.05 1wxb s ASP 15 Cb -0.04 -2.63 -0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1wxb s ASP 15 CO -0.03 -0.77 -0.15 0.12 0.70 0.00 0.00 175.17 175.05 1wxb s PHE 16 N -0.17 1.44 -0.56 2.11 5.36 -0.34 -4.93 117.98 120.88 1wxb s PHE 16 Ca 0.59 -0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.08 1wxb s PHE 16 Cb -0.44 -0.98 0.14 0.00 -0.34 0.00 0.00 43.02 41.41 1wxb s PHE 16 CO 0.47 -0.12 0.46 0.99 -1.46 0.00 0.00 175.22 175.55 1wxb s THR 17 N 0.02 4.59 -0.49 0.12 2.01 -1.26 -1.71 115.64 118.93 1wxb s THR 17 Ca -0.02 -1.98 -0.45 0.00 0.31 0.00 0.00 61.69 59.55 1wxb s THR 17 Cb -0.10 -3.97 -0.19 0.00 0.01 0.00 0.00 72.50 68.25 1wxb s THR 17 CO 0.01 -0.85 1.87 0.00 -0.69 0.00 0.00 174.62 174.96 1wxb n ALA 18 N 4.66 -0.51 0.01 7.40 0.00 -1.23 -4.78 120.51 126.06 1wxb n ALA 18 Ca -0.04 0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 1wxb n ALA 18 Cb 0.41 -2.03 0.18 0.00 0.00 0.00 0.00 19.45 18.02 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 7.15 0.50 0.00 0.00 2.47 -1.89 -3.47 114.38 119.15 1wxb h ARG 19 Ca -0.28 -0.20 -0.24 0.00 -1.26 0.00 0.00 59.98 58.00 1wxb h ARG 19 Cb 1.39 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.62 1wxb h ARG 19 CO 1.03 0.73 -0.21 0.09 0.56 0.00 0.00 179.97 182.17 1wxb n ASN 20 N -4.10 -0.52 0.09 7.04 3.02 -1.26 -5.03 115.26 114.50 1wxb n ASN 20 Ca -0.01 -2.21 -0.13 0.00 -0.03 0.00 0.00 54.58 52.21 1wxb n ASN 20 Cb 0.43 1.11 -0.08 0.00 -0.61 0.00 0.00 39.78 40.63 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 1.66 -0.19 -0.95 5.41 0.00 -1.98 -1.68 119.26 121.53 1wxb h ALA 21 Ca -0.14 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 54.94 1wxb h ALA 21 Cb 0.69 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1wxb h ALA 21 CO 0.20 -0.54 0.94 -2.95 0.00 0.00 0.00 179.25 176.90 1wxb h ASN 22 N -0.34 0.00 -2.75 0.00 -1.07 -1.96 -3.39 115.58 106.08 1wxb h ASN 22 Ca -0.02 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.83 1wxb h ASN 22 Cb 0.27 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.50 1wxb h ASN 22 CO 0.03 0.00 -0.34 -1.61 0.07 0.00 0.00 177.43 175.59 1wxb s GLU 23 N -4.61 3.50 0.06 4.14 2.02 -0.63 0.19 118.70 123.37 1wxb s GLU 23 Ca -0.04 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 54.61 1wxb s GLU 23 Cb 0.17 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1wxb s GLU 23 CO 0.58 0.38 -0.12 -1.17 0.02 0.00 0.00 175.26 174.95 1wxb s LEU 24 N -3.50 2.91 -0.26 1.80 2.96 -1.17 -4.56 118.68 116.86 1wxb s LEU 24 Ca 0.38 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 1wxb s LEU 24 Cb -0.11 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1wxb s LEU 24 CO 0.30 0.23 0.14 -0.94 -1.32 0.00 0.00 176.35 174.76 1wxb s SER 25 N -1.72 5.78 0.24 3.68 1.04 -1.26 -3.52 113.70 117.94 1wxb s SER 25 Ca 0.18 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.59 1wxb s SER 25 Cb -0.11 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 1wxb s SER 25 CO 0.09 -0.01 0.07 0.68 0.98 0.00 0.00 173.24 175.05 1wxb s VAL 26 N 1.47 0.64 0.52 5.02 -7.23 -0.70 -4.93 120.40 115.20 1wxb s VAL 26 Ca 0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1wxb s VAL 26 Cb -0.15 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1wxb s VAL 26 CO 0.07 -0.11 0.06 -0.76 -0.31 0.00 0.00 175.10 174.05 1wxb s LEU 27 N -3.29 2.33 0.27 1.32 1.43 -1.26 -1.20 118.68 118.28 1wxb s LEU 27 Ca 0.35 -1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 51.66 1wxb s LEU 27 Cb 0.07 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 1wxb s LEU 27 CO 0.12 -0.91 0.74 -0.75 0.23 0.00 0.00 176.35 175.78 1wxb s LYS 28 N -3.95 4.15 0.00 1.70 2.20 -1.26 -3.45 119.74 119.13 1wxb s LYS 28 Ca 0.09 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1wxb s LYS 28 Cb 0.01 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1wxb s LYS 28 CO 0.05 0.28 0.00 -3.47 -0.36 0.00 0.00 175.35 171.85 1wxb n ASP 29 N 0.22 -2.22 -4.92 1.43 2.03 -0.70 -4.96 116.55 107.42 1wxb n ASP 29 Ca 0.01 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.06 1wxb n ASP 29 Cb 0.52 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 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 -0.42 3.36 -0.22 -0.67 2.02 -1.22 -4.88 118.70 116.67 1wxb s GLU 30 Ca 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 1wxb s GLU 30 Cb 0.00 -2.44 0.06 0.00 0.10 0.00 0.00 34.13 31.85 1wxb s GLU 30 CO 0.00 -0.23 -0.01 0.08 0.02 0.00 0.00 175.26 175.13 1wxb s VAL 31 N -2.68 1.05 0.31 2.63 1.01 -1.26 -0.31 120.40 121.15 1wxb s VAL 31 Ca 0.47 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1wxb s VAL 31 Cb -0.10 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1wxb s VAL 31 CO 0.42 -0.18 0.43 -0.76 0.00 0.00 0.00 175.10 175.01 1wxb s LEU 32 N 1.61 4.05 -0.17 3.92 2.01 -0.62 -4.91 118.68 124.58 1wxb s LEU 32 Ca -0.03 -0.13 -0.13 0.00 0.01 0.00 0.00 54.13 53.85 1wxb s LEU 32 Cb -0.18 -2.76 -0.05 0.00 0.01 0.00 0.00 46.19 43.22 1wxb s LEU 32 CO -0.08 -0.33 0.25 -0.70 1.01 0.00 0.00 176.35 176.51 1wxb s GLU 33 N -4.11 4.21 0.03 1.70 2.12 -1.25 -1.39 118.70 120.01 1wxb s GLU 33 Ca 0.42 0.02 -0.28 0.00 0.36 0.00 0.00 54.97 55.49 1wxb s GLU 33 Cb -0.09 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1wxb s GLU 33 CO 0.30 0.28 0.88 0.54 -0.54 0.00 0.00 175.26 176.72 1wxb s VAL 34 N 0.38 4.77 -0.18 3.70 0.11 -1.25 -1.93 120.40 126.00 1wxb s VAL 34 Ca 0.15 1.87 -0.11 0.00 -2.93 0.00 0.00 61.98 60.96 1wxb s VAL 34 Cb -0.13 -4.23 -0.08 0.00 -1.53 0.00 0.00 36.38 30.42 1wxb s VAL 34 CO 0.03 0.26 -0.26 0.18 -3.33 0.00 0.00 175.10 171.98 1wxb n LEU 35 N 3.35 1.48 -4.03 2.54 4.32 0.31 -4.91 117.00 120.06 1wxb n LEU 35 Ca 0.02 0.25 -0.24 0.00 -0.02 0.00 0.00 56.01 56.02 1wxb n LEU 35 Cb 0.50 -0.60 -0.16 0.00 -1.62 0.00 0.00 43.42 41.54 1wxb n LEU 35 CO 0.50 0.21 -0.46 -1.61 -1.22 0.00 0.00 177.39 174.81 1wxb s GLU 36 N -2.44 1.53 0.32 3.23 0.41 -1.05 -4.99 118.70 115.71 1wxb s GLU 36 Ca -0.26 -0.40 0.03 0.00 -0.41 0.00 0.00 54.97 53.92 1wxb s GLU 36 Cb 0.09 -1.30 -0.04 0.00 -1.78 0.00 0.00 34.13 31.09 1wxb s GLU 36 CO 0.34 0.07 0.11 0.16 -0.49 0.00 0.00 175.26 175.45 1wxb s ASP 37 N 0.50 1.92 0.00 -0.19 -4.77 -1.26 -2.07 116.67 110.80 1wxb s ASP 37 Ca -0.11 -1.49 0.00 0.00 -3.30 0.00 0.00 52.55 47.65 1wxb s ASP 37 Cb -0.14 0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 1wxb s ASP 37 CO 0.03 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 175.72 1wxb n GLY 38 N -0.65 0.09 3.68 2.12 0.00 -1.26 -5.06 105.19 104.11 1wxb n GLY 38 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1wxb n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxb s ARG 39 N -0.98 2.36 0.00 1.61 1.81 -1.26 -5.06 118.95 117.43 1wxb s ARG 39 Ca 0.00 -1.41 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 1wxb s ARG 39 Cb 0.00 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 32.30 1wxb s ARG 39 CO 0.00 0.32 0.87 0.94 -0.68 0.00 0.00 175.30 176.75 1wxb n GLN 40 N -0.97 0.00 -3.19 3.54 -0.06 -1.26 -4.23 117.38 111.21 1wxb n GLN 40 Ca -0.06 0.86 -0.39 0.00 -2.00 0.00 0.00 57.00 55.41 1wxb n GLN 40 Cb 0.59 -1.37 -0.05 0.00 -4.06 0.00 0.00 30.24 25.34 1wxb n GLN 40 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1wxb s TRP 41 N -2.50 3.65 0.54 3.69 0.52 -1.26 -4.17 118.94 119.41 1wxb s TRP 41 Ca 0.00 1.18 -0.05 0.00 0.02 0.00 0.00 56.10 57.25 1wxb s TRP 41 Cb 0.00 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 1wxb s TRP 41 CO 0.00 0.30 0.84 -1.58 0.02 0.00 0.00 176.95 176.52 1wxb s TRP 42 N 0.03 3.38 -0.28 -1.98 0.52 -0.89 -4.83 118.94 114.89 1wxb s TRP 42 Ca 0.32 0.68 0.02 0.00 0.02 0.00 0.00 56.10 57.14 1wxb s TRP 42 Cb -0.18 -2.53 0.06 0.00 -1.15 0.00 0.00 33.47 29.67 1wxb s TRP 42 CO 0.17 -0.57 -0.07 0.21 0.02 0.00 0.00 176.95 176.71 1wxb s LYS 43 N -4.86 2.23 0.37 4.98 2.20 -0.88 -2.19 119.74 121.59 1wxb s LYS 43 Ca 0.51 -1.37 0.08 0.00 -0.36 0.00 0.00 55.97 54.82 1wxb s LYS 43 Cb -0.10 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.19 1wxb s LYS 43 CO 0.45 -0.61 0.15 -0.51 -0.36 0.00 0.00 175.35 174.46 1wxb s LEU 44 N 1.12 3.17 -0.07 5.43 2.01 -1.01 0.11 118.68 129.43 1wxb s LEU 44 Ca -0.07 -0.93 0.01 0.00 0.01 0.00 0.00 54.13 53.15 1wxb s LEU 44 Cb -0.20 -1.57 0.02 0.00 0.01 0.00 0.00 46.19 44.45 1wxb s LEU 44 CO -0.04 -0.41 -0.08 -0.60 1.01 0.00 0.00 176.35 176.22 1wxb s ARG 45 N -3.87 1.37 0.79 1.70 3.52 -0.81 -1.79 118.95 119.87 1wxb s ARG 45 Ca 0.39 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.62 1wxb s ARG 45 Cb 0.00 -1.28 0.07 0.00 -1.56 0.00 0.00 34.95 32.18 1wxb s ARG 45 CO 0.22 -0.09 1.10 -1.54 -0.81 0.00 0.00 175.30 174.19 1wxb s SER 46 N 1.06 4.27 0.40 -2.12 1.04 0.21 -3.85 113.70 114.71 1wxb s SER 46 Ca -0.08 1.90 0.27 0.00 0.48 0.00 0.00 55.95 58.53 1wxb s SER 46 Cb -0.14 -2.53 1.45 0.00 0.10 0.00 0.00 66.02 64.89 1wxb s SER 46 CO -0.01 -2.19 1.83 0.03 0.98 0.00 0.00 173.24 173.88 1wxb h ARG 47 N -1.17 0.00 0.00 4.02 2.47 -1.95 0.28 114.38 118.03 1wxb h ARG 47 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1wxb h ARG 47 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1wxb h ARG 47 CO 0.50 0.00 0.00 1.03 0.56 0.00 0.00 179.97 182.06 1wxb h SER 48 N 0.00 0.00 0.00 7.04 0.87 -2.02 -3.46 113.55 115.98 1wxb h SER 48 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wxb h SER 48 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1wxb h SER 48 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1wxb n GLY 49 N 0.93 1.16 3.75 5.77 0.00 0.98 -5.08 105.19 112.70 1wxb n GLY 49 Ca 0.04 0.00 -0.33 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 -0.55 2.57 -0.03 1.61 1.11 -1.24 -4.73 119.66 118.40 1wxb s GLN 50 Ca 0.00 1.51 0.00 0.00 0.01 0.00 0.00 55.36 56.88 1wxb s GLN 50 Cb 0.00 -1.91 0.03 0.00 -1.01 0.00 0.00 33.01 30.12 1wxb s GLN 50 CO 0.00 -1.45 0.01 0.00 0.01 0.00 0.00 175.29 173.86 1wxb s ALA 51 N -2.22 0.24 0.17 6.09 0.00 -1.26 0.67 121.76 125.44 1wxb s ALA 51 Ca 0.69 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 1wxb s ALA 51 Cb -0.23 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1wxb s ALA 51 CO 0.43 -0.10 0.35 0.20 0.00 0.00 0.00 175.76 176.64 1wxb s GLY 52 N 1.08 0.26 0.22 0.00 0.00 -0.74 -4.82 107.32 103.32 1wxb s GLY 52 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 1wxb s GLY 52 CO -0.02 -0.64 0.46 -0.19 0.00 0.00 0.00 173.10 172.70 1wxb s TYR 53 N -3.93 3.47 0.20 1.90 2.02 0.51 -2.42 117.35 119.10 1wxb s TYR 53 Ca 0.13 0.58 -0.14 0.00 -0.37 0.00 0.00 57.07 57.27 1wxb s TYR 53 Cb 0.02 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1wxb s TYR 53 CO -0.02 0.31 0.44 0.14 -1.57 0.00 0.00 175.55 174.85 1wxb s VAL 54 N -1.87 0.03 0.33 0.71 -7.23 -0.93 -3.04 120.40 108.40 1wxb s VAL 54 Ca 0.42 -1.11 -0.27 0.00 -1.81 0.00 0.00 61.98 59.21 1wxb s VAL 54 Cb -0.11 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1wxb s VAL 54 CO 0.27 -0.15 1.07 -2.16 -0.31 0.00 0.00 175.10 173.82 1wxb s PRO 55 N -3.93 4.44 0.00 4.82 0.04 -1.26 -2.09 135.00 137.02 1wxb s PRO 55 Ca 0.14 1.66 0.31 0.00 0.04 0.00 0.00 61.00 63.16 1wxb s PRO 55 Cb 0.00 -2.91 1.75 0.00 0.04 0.00 0.00 34.50 33.38 1wxb s PRO 55 CO 0.01 0.07 2.14 0.00 0.04 0.00 0.00 177.00 179.26 1wxb h ASN 57 N 0.36 0.32 0.64 0.00 2.35 -1.92 -3.01 115.58 114.33 1wxb h ASN 57 Ca 0.00 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 1wxb h ASN 57 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1wxb h ASN 57 CO 0.00 0.84 -1.41 2.30 -1.65 0.00 0.00 177.43 177.51 1wxb n ILE 58 N -3.89 0.68 -2.28 2.81 -5.35 -1.19 -4.91 119.36 105.23 1wxb n ILE 58 Ca -0.02 -0.60 -0.35 0.00 -0.27 0.00 0.00 62.75 61.51 1wxb n ILE 58 Cb 0.61 -0.38 -0.00 0.00 -1.74 0.00 0.00 39.64 38.13 1wxb n ILE 58 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wxb s LEU 59 N -5.30 3.74 0.00 7.28 1.43 -1.14 -1.43 118.68 123.26 1wxb s LEU 59 Ca -0.03 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1wxb s LEU 59 Cb 0.10 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1wxb s LEU 59 CO 0.82 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1wxb n GLY 60 N -0.01 5.40 3.24 -3.19 0.00 -1.13 -4.89 105.19 104.62 1wxb n GLY 60 Ca 0.11 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1wxb n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxb s GLU 61 N 2.54 2.93 -0.12 1.61 2.02 -1.26 -4.33 118.70 122.09 1wxb s GLU 61 Ca 0.00 -0.87 -0.13 0.00 0.02 0.00 0.00 54.97 53.99 1wxb s GLU 61 Cb 0.00 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.90 1wxb s GLU 61 CO 0.00 0.24 0.29 0.00 0.02 0.00 0.00 175.26 175.81 1wxb s ALA 62 N 0.20 3.67 -0.34 5.21 0.00 -1.23 -4.57 121.76 124.70 1wxb s ALA 62 Ca -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1wxb s ALA 62 Cb -0.17 -2.31 0.10 0.00 0.00 0.00 0.00 23.12 20.75 1wxb s ALA 62 CO 0.07 0.28 0.06 0.45 0.00 0.00 0.00 175.76 176.63 1wxb s SER 63 N -0.16 4.65 0.00 0.00 0.15 -1.26 -4.85 113.70 112.23 1wxb s SER 63 Ca 0.18 -2.12 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1wxb s SER 63 Cb -0.14 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1wxb s SER 63 CO 0.06 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1wxb n GLY 64 N 4.29 -1.51 3.74 9.45 0.00 -1.26 -4.89 105.19 115.02 1wxb n GLY 64 Ca 0.03 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1wxb n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxb s PRO 65 N -1.58 4.60 -0.65 1.61 0.04 -1.26 -4.99 135.00 132.78 1wxb s PRO 65 Ca 0.00 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1wxb s PRO 65 Cb 0.00 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.38 1wxb s PRO 65 CO 0.00 0.10 0.87 -1.54 0.04 0.00 0.00 177.00 176.47 1wxb s SER 66 N -0.29 6.21 -0.04 6.66 1.04 -1.26 -4.89 113.70 121.13 1wxb s SER 66 Ca 0.48 -1.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 1wxb s SER 66 Cb -0.30 -2.37 -0.16 0.00 0.10 0.00 0.00 66.02 63.29 1wxb s SER 66 CO 0.36 -1.28 0.93 0.77 0.98 0.00 0.00 173.24 175.00 1wxb h SER 67 N 9.35 -0.20 0.00 7.02 4.64 -2.01 -3.50 113.55 128.85 1wxb h SER 67 Ca -0.26 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1wxb h SER 67 Cb 1.07 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wxb h SER 67 CO 1.14 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 178.04