#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxb h SER 2 N 0.00 -1.38 0.00 1.61 0.02 -2.11 -3.46 113.55 108.23 1wxb h SER 2 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1wxb h SER 2 Cb 0.00 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1wxb h SER 2 CO 0.00 -0.50 0.00 -0.24 -1.14 0.00 0.00 176.83 174.95 1wxb n SER 3 N -5.47 -1.62 0.00 3.07 2.88 -1.26 -5.07 113.62 106.16 1wxb n SER 3 Ca -0.07 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1wxb n SER 3 Cb 0.39 1.76 0.00 0.00 -0.75 0.00 0.00 64.21 65.61 1wxb n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxb n GLY 4 N -1.22 -0.63 1.57 0.46 0.00 -1.26 -5.11 105.19 98.99 1wxb n GLY 4 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wxb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxb n SER 5 N 0.00 -8.35 -4.67 1.61 7.64 -1.26 -4.76 113.62 103.83 1wxb n SER 5 Ca 0.00 1.17 -0.47 0.00 1.01 0.00 0.00 58.87 60.58 1wxb n SER 5 Cb 0.00 -4.31 -0.04 0.00 -1.01 0.00 0.00 64.21 58.85 1wxb n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wxb n SER 6 N -0.05 3.14 -1.52 6.43 3.41 -1.26 -4.97 113.62 118.79 1wxb n SER 6 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1wxb n SER 6 Cb 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 1wxb n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxb n GLY 7 N 3.70 0.58 3.64 5.00 0.00 -1.26 -5.12 105.19 111.73 1wxb n GLY 7 Ca 0.19 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 1wxb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxb s LYS 8 N 1.24 2.27 0.12 1.61 1.02 -1.26 -5.13 119.74 119.61 1wxb s LYS 8 Ca 0.00 -1.45 -0.01 0.00 0.02 0.00 0.00 55.97 54.53 1wxb s LYS 8 Cb 0.00 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1wxb s LYS 8 CO 0.00 0.34 0.03 0.71 -0.92 0.00 0.00 175.35 175.51 1wxb s TYR 9 N -2.35 0.86 -0.03 3.18 2.02 -1.26 -3.58 117.35 116.19 1wxb s TYR 9 Ca 0.32 -1.17 0.04 0.00 -0.37 0.00 0.00 57.07 55.89 1wxb s TYR 9 Cb -0.06 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1wxb s TYR 9 CO 0.20 -0.44 -0.14 0.54 -1.57 0.00 0.00 175.55 174.14 1wxb s VAL 10 N -3.96 1.15 -0.40 0.71 0.11 -1.19 -3.97 120.40 112.86 1wxb s VAL 10 Ca 0.21 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.51 1wxb s VAL 10 Cb 0.07 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1wxb s VAL 10 CO -0.00 0.33 0.36 -0.75 -3.33 0.00 0.00 175.10 171.71 1wxb s LYS 11 N -0.09 3.13 0.26 1.54 2.20 -0.66 -2.51 119.74 123.61 1wxb s LYS 11 Ca 0.00 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 1wxb s LYS 11 Cb -0.08 -3.94 -0.12 0.00 -1.51 0.00 0.00 37.83 32.18 1wxb s LYS 11 CO 0.01 -0.74 1.64 0.42 -0.36 0.00 0.00 175.35 176.31 1wxb s ILE 12 N 1.90 2.06 -0.18 5.43 -1.09 0.11 -3.45 121.20 125.98 1wxb s ILE 12 Ca 0.09 0.05 0.09 0.00 -2.23 0.00 0.00 60.65 58.65 1wxb s ILE 12 Cb -0.18 -3.03 -0.22 0.00 -1.58 0.00 0.00 42.46 37.45 1wxb s ILE 12 CO 0.12 0.01 0.12 0.18 -1.23 0.00 0.00 174.94 174.13 1wxb n LEU 13 N 2.79 1.37 -4.00 2.97 4.77 -0.69 -2.26 117.00 121.95 1wxb n LEU 13 Ca 0.11 0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 1wxb n LEU 13 Cb 0.37 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 1wxb n LEU 13 CO 0.64 0.66 -0.45 -0.31 -1.33 0.00 0.00 177.39 176.60 1wxb s TYR 14 N -2.53 1.10 -0.17 -1.77 1.51 -1.26 -4.67 117.35 109.56 1wxb s TYR 14 Ca -0.18 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.27 1wxb s TYR 14 Cb 0.07 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 41.07 1wxb s TYR 14 CO 0.75 -0.16 1.94 0.16 -1.11 0.00 0.00 175.55 177.13 1wxb s ASP 15 N 0.43 6.00 0.02 2.29 1.47 -1.26 -4.59 116.67 121.02 1wxb s ASP 15 Ca -0.08 1.92 0.00 0.00 1.18 0.00 0.00 52.55 55.58 1wxb s ASP 15 Cb -0.12 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 39.90 1wxb s ASP 15 CO 0.01 -1.52 0.09 0.12 0.68 0.00 0.00 175.17 174.56 1wxb s PHE 16 N 6.37 3.29 -0.27 2.11 5.36 0.17 -4.88 117.98 130.14 1wxb s PHE 16 Ca 0.87 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 1wxb s PHE 16 Cb -0.32 -1.72 0.06 0.00 -0.34 0.00 0.00 43.02 40.70 1wxb s PHE 16 CO 0.35 0.55 -0.08 0.99 -1.46 0.00 0.00 175.22 175.57 1wxb s THR 17 N -1.26 2.42 -0.44 0.12 2.01 -1.26 -1.38 115.64 115.86 1wxb s THR 17 Ca 0.25 -1.54 -0.42 0.00 0.31 0.00 0.00 61.69 60.28 1wxb s THR 17 Cb -0.12 -2.41 -0.17 0.00 0.01 0.00 0.00 72.50 69.81 1wxb s THR 17 CO 0.17 -0.04 1.96 0.00 -0.69 0.00 0.00 174.62 176.01 1wxb n ALA 18 N 4.49 -0.06 -0.45 7.40 0.00 -1.25 -4.77 120.51 125.88 1wxb n ALA 18 Ca -0.14 0.25 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1wxb n ALA 18 Cb 0.43 -2.15 0.29 0.00 0.00 0.00 0.00 19.45 18.01 1wxb n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wxb n ARG 19 N 6.45 3.11 -3.87 0.00 1.74 -1.26 -4.95 116.66 117.87 1wxb n ARG 19 Ca 0.42 -2.60 -0.07 0.00 -0.77 0.00 0.00 57.85 54.82 1wxb n ARG 19 Cb 0.03 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 1wxb n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1wxb s ASN 20 N -1.04 -0.24 0.27 0.55 0.01 -1.26 -5.03 114.94 108.20 1wxb s ASN 20 Ca 0.43 -0.65 0.06 0.00 -0.71 0.00 0.00 52.86 51.99 1wxb s ASN 20 Cb 0.25 0.71 0.38 0.00 0.41 0.00 0.00 41.25 43.00 1wxb s ASN 20 CO 0.25 -1.31 1.65 0.00 -1.51 0.00 0.00 177.10 176.17 1wxb h ALA 21 N 2.04 1.02 -0.60 0.60 0.00 -2.01 -2.87 119.26 117.43 1wxb h ALA 21 Ca -0.20 -0.46 -0.45 0.00 0.00 0.00 0.00 54.91 53.80 1wxb h ALA 21 Cb 1.25 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 1wxb h ALA 21 CO 0.25 0.64 0.52 0.09 0.00 0.00 0.00 179.25 180.75 1wxb n ASN 22 N -3.97 6.74 -3.82 0.00 4.13 -1.26 -4.85 115.26 112.23 1wxb n ASN 22 Ca -0.02 -3.26 -0.12 0.00 1.68 0.00 0.00 54.58 52.86 1wxb n ASN 22 Cb 0.53 -1.09 -0.10 0.00 -1.54 0.00 0.00 39.78 37.58 1wxb n ASN 22 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wxb s GLU 23 N -2.24 0.43 0.02 3.52 2.02 -1.09 -2.24 118.70 119.12 1wxb s GLU 23 Ca 0.44 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 55.36 1wxb s GLU 23 Cb 0.33 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.72 1wxb s GLU 23 CO -0.07 -0.10 -0.02 -1.17 0.02 0.00 0.00 175.26 173.92 1wxb s LEU 24 N -0.81 3.41 -0.28 1.80 2.96 -1.23 -4.56 118.68 119.97 1wxb s LEU 24 Ca -0.09 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 1wxb s LEU 24 Cb -0.05 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1wxb s LEU 24 CO 0.02 0.26 0.24 -0.94 -1.32 0.00 0.00 176.35 174.61 1wxb s SER 25 N -1.65 6.08 0.10 3.68 1.04 -1.26 -3.79 113.70 117.89 1wxb s SER 25 Ca 0.20 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.73 1wxb s SER 25 Cb -0.11 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 1wxb s SER 25 CO 0.11 -0.09 -0.09 0.68 0.98 0.00 0.00 173.24 174.83 1wxb s VAL 26 N 1.84 0.91 0.57 5.02 -7.23 -0.48 -4.93 120.40 116.11 1wxb s VAL 26 Ca 0.09 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1wxb s VAL 26 Cb -0.16 -1.43 0.06 0.00 0.56 0.00 0.00 36.38 35.42 1wxb s VAL 26 CO 0.11 -0.62 0.57 -0.76 -0.31 0.00 0.00 175.10 174.09 1wxb s LEU 27 N -2.57 2.82 0.27 1.32 2.01 -1.26 0.45 118.68 121.72 1wxb s LEU 27 Ca 0.07 -1.11 -0.26 0.00 0.01 0.00 0.00 54.13 52.84 1wxb s LEU 27 Cb -0.01 -1.32 -0.09 0.00 0.01 0.00 0.00 46.19 44.78 1wxb s LEU 27 CO -0.01 -1.24 0.89 -0.75 1.01 0.00 0.00 176.35 176.26 1wxb s LYS 28 N -4.45 4.59 -0.75 1.70 2.20 -1.26 -3.44 119.74 118.33 1wxb s LYS 28 Ca 0.45 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1wxb s LYS 28 Cb -0.04 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1wxb s LYS 28 CO 0.28 0.39 0.00 -3.47 -0.36 0.00 0.00 175.35 172.19 1wxb n ASP 29 N 0.93 -3.14 -4.79 1.43 -0.08 -0.96 -4.94 116.55 105.00 1wxb n ASP 29 Ca -0.01 0.03 -0.22 0.00 -1.51 0.00 0.00 54.79 53.08 1wxb n ASP 29 Cb 0.49 -2.28 -0.05 0.00 2.34 0.00 0.00 41.12 41.63 1wxb n ASP 29 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wxb s GLU 30 N -4.16 2.70 -0.08 -0.67 2.02 -1.22 -4.92 118.70 112.36 1wxb s GLU 30 Ca 0.00 -1.24 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 1wxb s GLU 30 Cb 0.00 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.83 1wxb s GLU 30 CO 0.00 0.27 -0.02 0.08 0.02 0.00 0.00 175.26 175.62 1wxb s VAL 31 N -2.25 0.55 0.54 2.63 1.01 -1.26 0.07 120.40 121.69 1wxb s VAL 31 Ca 0.35 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1wxb s VAL 31 Cb -0.06 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.69 1wxb s VAL 31 CO 0.24 0.28 0.44 -0.76 0.00 0.00 0.00 175.10 175.31 1wxb s LEU 32 N 1.90 2.75 -0.45 3.92 2.01 -1.04 -4.95 118.68 122.82 1wxb s LEU 32 Ca 0.05 -1.20 -0.11 0.00 0.01 0.00 0.00 54.13 52.88 1wxb s LEU 32 Cb -0.12 -1.25 0.08 0.00 0.01 0.00 0.00 46.19 44.91 1wxb s LEU 32 CO -0.06 -1.12 0.32 -0.70 1.01 0.00 0.00 176.35 175.80 1wxb s GLU 33 N -4.32 2.72 -0.14 1.70 2.12 -1.07 -3.14 118.70 116.58 1wxb s GLU 33 Ca 0.37 -1.48 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1wxb s GLU 33 Cb -0.03 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1wxb s GLU 33 CO 0.23 -1.02 1.65 0.54 -0.54 0.00 0.00 175.26 176.12 1wxb s VAL 34 N 1.49 3.63 -0.26 3.70 0.11 -1.23 -2.03 120.40 125.80 1wxb s VAL 34 Ca 0.04 0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 59.70 1wxb s VAL 34 Cb -0.24 -3.56 -0.14 0.00 -1.53 0.00 0.00 36.38 30.90 1wxb s VAL 34 CO 0.03 -0.16 -0.23 0.18 -3.33 0.00 0.00 175.10 171.58 1wxb n LEU 35 N 7.90 2.14 -3.98 2.54 4.77 0.86 -4.73 117.00 126.50 1wxb n LEU 35 Ca 0.18 0.27 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 1wxb n LEU 35 Cb 0.44 -0.87 -0.17 0.00 -2.33 0.00 0.00 43.42 40.50 1wxb n LEU 35 CO 0.63 0.61 -0.46 -1.61 -1.33 0.00 0.00 177.39 175.23 1wxb s GLU 36 N -2.49 1.78 0.30 3.23 0.41 -1.09 -4.98 118.70 115.85 1wxb s GLU 36 Ca -0.36 -0.39 0.05 0.00 -0.41 0.00 0.00 54.97 53.86 1wxb s GLU 36 Cb 0.12 -1.63 -0.02 0.00 -1.78 0.00 0.00 34.13 30.83 1wxb s GLU 36 CO 0.53 -0.13 0.18 -0.40 -0.49 0.00 0.00 175.26 174.95 1wxb n ASP 37 N 4.42 0.26 0.00 -0.19 5.75 -1.26 0.00 116.55 125.53 1wxb n ASP 37 Ca -0.18 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1wxb n ASP 37 Cb 0.51 1.12 0.00 0.00 -1.03 0.00 0.00 41.12 41.72 1wxb n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wxb n GLY 38 N -0.40 1.38 3.79 6.12 0.00 -1.26 -5.03 105.19 109.79 1wxb n GLY 38 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.54 2.51 0.09 1.61 3.52 -1.26 -5.03 118.95 119.85 1wxb s ARG 39 Ca 0.00 -1.46 -0.18 0.00 -0.13 0.00 0.00 55.73 53.96 1wxb s ARG 39 Cb 0.00 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1wxb s ARG 39 CO 0.00 0.08 1.26 1.04 -0.81 0.00 0.00 175.30 176.88 1wxb n GLN 40 N -1.26 -0.26 -4.17 5.12 6.02 -1.26 -4.15 117.38 117.42 1wxb n GLN 40 Ca -0.02 1.25 -0.34 0.00 -0.01 0.00 0.00 57.00 57.87 1wxb n GLN 40 Cb 0.61 -1.84 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 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 -4.54 3.20 0.54 1.08 0.52 -1.26 -3.83 118.94 114.65 1wxb s TRP 41 Ca -0.07 0.04 -0.05 0.00 0.02 0.00 0.00 56.10 56.04 1wxb s TRP 41 Cb 0.06 -1.98 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1wxb s TRP 41 CO 0.36 0.21 0.84 -1.58 0.02 0.00 0.00 176.95 176.81 1wxb s TRP 42 N 0.02 3.32 -0.39 -1.98 0.51 -0.91 -4.82 118.94 114.70 1wxb s TRP 42 Ca 0.04 0.63 -0.01 0.00 -2.12 0.00 0.00 56.10 54.64 1wxb s TRP 42 Cb -0.13 -2.57 0.11 0.00 -0.81 0.00 0.00 33.47 30.07 1wxb s TRP 42 CO 0.01 -0.62 0.16 0.21 -0.51 0.00 0.00 176.95 176.20 1wxb s LYS 43 N -4.87 1.83 0.32 4.98 2.20 0.10 -2.16 119.74 122.14 1wxb s LYS 43 Ca 0.51 -1.85 0.07 0.00 -0.36 0.00 0.00 55.97 54.34 1wxb s LYS 43 Cb -0.10 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1wxb s LYS 43 CO 0.44 -1.03 0.39 -0.51 -0.36 0.00 0.00 175.35 174.28 1wxb s LEU 44 N 1.04 3.91 -0.03 5.43 2.01 -1.12 -0.10 118.68 129.82 1wxb s LEU 44 Ca 0.09 -0.24 0.03 0.00 0.01 0.00 0.00 54.13 54.02 1wxb s LEU 44 Cb -0.21 -2.60 0.00 0.00 0.01 0.00 0.00 46.19 43.39 1wxb s LEU 44 CO -0.05 -0.33 -0.10 -0.60 1.01 0.00 0.00 176.35 176.27 1wxb s ARG 45 N -4.08 1.05 0.63 1.70 3.52 -0.86 -1.87 118.95 119.04 1wxb s ARG 45 Ca 0.41 -0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.61 1wxb s ARG 45 Cb -0.08 -0.97 0.02 0.00 -1.56 0.00 0.00 34.95 32.35 1wxb s ARG 45 CO 0.29 0.12 0.95 -1.54 -0.81 0.00 0.00 175.30 174.31 1wxb s SER 46 N 0.20 5.46 0.33 -2.12 1.04 0.22 -2.61 113.70 116.21 1wxb s SER 46 Ca -0.03 0.76 0.26 0.00 0.48 0.00 0.00 55.95 57.41 1wxb s SER 46 Cb -0.09 -1.67 1.11 0.00 0.10 0.00 0.00 66.02 65.47 1wxb s SER 46 CO 0.01 -1.18 1.77 0.03 0.98 0.00 0.00 173.24 174.85 1wxb h ARG 47 N -0.32 0.00 0.00 4.02 3.08 -1.93 -1.59 114.38 117.65 1wxb h ARG 47 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1wxb h ARG 47 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1wxb h ARG 47 CO 0.61 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.94 1wxb n SER 48 N -2.42 0.00 0.00 7.04 7.64 -1.26 -4.83 113.62 119.79 1wxb n SER 48 Ca 0.01 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1wxb n SER 48 Cb 0.22 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1wxb n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxb n GLY 49 N 0.64 0.59 3.60 0.23 0.00 -0.60 -5.06 105.19 104.59 1wxb n GLY 49 Ca 0.17 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.56 2.18 -0.03 1.61 -1.52 -1.22 -4.94 119.66 112.19 1wxb s GLN 50 Ca 0.00 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 1wxb s GLN 50 Cb 0.00 -2.25 0.03 0.00 -0.22 0.00 0.00 33.01 30.57 1wxb s GLN 50 CO 0.00 0.45 -0.00 0.00 -0.25 0.00 0.00 175.29 175.49 1wxb s ALA 51 N -1.63 0.36 0.03 6.09 0.00 -1.26 0.71 121.76 126.07 1wxb s ALA 51 Ca 0.25 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 1wxb s ALA 51 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1wxb s ALA 51 CO 0.16 -0.08 0.32 0.20 0.00 0.00 0.00 175.76 176.36 1wxb s GLY 52 N 1.04 -0.15 0.21 0.00 0.00 -0.78 -4.77 107.32 102.88 1wxb s GLY 52 Ca -0.10 0.12 -0.20 0.00 0.00 0.00 0.00 44.72 44.55 1wxb s GLY 52 CO -0.02 -0.10 0.72 -0.19 0.00 0.00 0.00 173.10 173.51 1wxb s TYR 53 N -2.25 3.67 0.16 1.90 2.02 -0.95 -2.81 117.35 119.08 1wxb s TYR 53 Ca -0.07 1.39 -0.05 0.00 -0.37 0.00 0.00 57.07 57.97 1wxb s TYR 53 Cb -0.02 -2.62 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1wxb s TYR 53 CO -0.01 0.36 0.18 0.14 -1.57 0.00 0.00 175.55 174.64 1wxb s VAL 54 N -1.49 0.07 0.37 0.71 -7.23 -0.92 -3.51 120.40 108.41 1wxb s VAL 54 Ca 0.42 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.68 1wxb s VAL 54 Cb -0.17 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 1wxb s VAL 54 CO 0.21 -0.33 1.06 -2.16 -0.31 0.00 0.00 175.10 173.57 1wxb s PRO 55 N -4.02 4.27 0.00 4.82 0.04 -1.26 -2.14 135.00 136.71 1wxb s PRO 55 Ca 0.22 1.58 0.29 0.00 0.04 0.00 0.00 61.00 63.14 1wxb s PRO 55 Cb 0.05 -2.69 1.56 0.00 0.04 0.00 0.00 34.50 33.45 1wxb s PRO 55 CO 0.02 -0.06 2.02 0.00 0.04 0.00 0.00 177.00 179.02 1wxb h ASN 57 N 0.77 0.00 0.23 0.00 -0.73 -1.91 -2.98 115.58 110.96 1wxb h ASN 57 Ca 0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 1wxb h ASN 57 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1wxb h ASN 57 CO 0.00 0.54 -1.82 2.30 -0.37 0.00 0.00 177.43 178.07 1wxb n ILE 58 N -3.78 0.38 -0.92 2.57 -5.35 -1.20 -4.95 119.36 106.11 1wxb n ILE 58 Ca -0.01 -0.57 -0.30 0.00 -0.27 0.00 0.00 62.75 61.60 1wxb n ILE 58 Cb 0.57 -0.18 0.17 0.00 -1.74 0.00 0.00 39.64 38.46 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 -4.89 2.15 -0.19 7.28 1.43 -1.13 -1.71 118.68 121.62 1wxb s LEU 59 Ca -0.07 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 1wxb s LEU 59 Cb 0.12 -4.02 0.14 0.00 0.03 0.00 0.00 46.19 42.46 1wxb s LEU 59 CO 0.87 -3.07 1.08 -0.83 0.23 0.00 0.00 176.35 174.63 1wxb s GLY 60 N -3.02 -0.19 0.04 -3.19 0.00 -1.22 -4.80 107.32 94.94 1wxb s GLY 60 Ca 0.65 2.20 -0.30 0.00 0.00 0.00 0.00 44.72 47.27 1wxb s GLY 60 CO 0.59 1.04 1.92 -1.83 0.00 0.00 0.00 173.10 174.82 1wxb s GLU 61 N -1.11 4.15 -0.00 2.90 -1.05 -1.26 -1.66 118.70 120.67 1wxb s GLU 61 Ca 0.01 2.57 -0.15 0.00 -0.15 0.00 0.00 54.97 57.25 1wxb s GLU 61 Cb -0.01 -4.08 -0.06 0.00 -0.44 0.00 0.00 34.13 29.55 1wxb s GLU 61 CO -0.01 -0.93 0.42 0.00 0.95 0.00 0.00 175.26 175.69 1wxb s ALA 62 N 4.22 3.68 -0.03 -0.84 0.00 -1.25 -4.69 121.76 122.85 1wxb s ALA 62 Ca 0.86 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 1wxb s ALA 62 Cb -0.42 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1wxb s ALA 62 CO 0.40 0.46 0.10 0.45 0.00 0.00 0.00 175.76 177.16 1wxb s SER 63 N -1.01 -0.07 0.23 0.00 0.15 -1.26 -4.92 113.70 106.83 1wxb s SER 63 Ca 0.24 0.11 0.09 0.00 0.70 0.00 0.00 55.95 57.08 1wxb s SER 63 Cb -0.17 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.30 1wxb s SER 63 CO 0.14 -0.10 -0.16 -0.83 1.20 0.00 0.00 173.24 173.49 1wxb s GLY 64 N -0.24 1.56 -0.06 9.45 0.00 -1.26 -5.08 107.32 111.68 1wxb s GLY 64 Ca -0.03 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 42.84 1wxb s GLY 64 CO 0.00 -1.81 0.48 -0.56 0.00 0.00 0.00 173.10 171.21 1wxb h PRO 65 N 2.47 -0.28 -2.08 2.90 0.13 -2.08 -3.50 132.00 129.56 1wxb h PRO 65 Ca -0.39 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wxb h PRO 65 Cb 1.23 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wxb h PRO 65 CO 0.62 -0.08 -0.49 0.45 -0.23 0.00 0.00 178.00 178.26 1wxb n SER 66 N -4.96 -5.56 -4.77 1.44 2.88 -1.26 -4.88 113.62 96.50 1wxb n SER 66 Ca -0.05 0.69 -0.40 0.00 -1.33 0.00 0.00 58.87 57.78 1wxb n SER 66 Cb 0.17 -2.14 0.01 0.00 -0.75 0.00 0.00 64.21 61.50 1wxb n SER 66 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wxb s SER 67 N -2.05 6.05 0.00 -3.46 1.04 -1.26 -5.35 113.70 108.68 1wxb s SER 67 Ca 0.00 2.98 0.00 0.00 0.48 0.00 0.00 55.95 59.41 1wxb s SER 67 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1wxb s SER 67 CO 0.00 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.77