#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 -0.63 -4.15 1.61 0.02 -2.12 -3.49 113.55 104.78 1wxb h SER 2 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1wxb h SER 2 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1wxb h SER 2 CO 0.00 -0.24 -0.76 -0.24 -1.14 0.00 0.00 176.83 174.45 1wxb n SER 3 N -5.29 -7.60 -0.19 3.07 2.88 -1.26 -5.01 113.62 100.22 1wxb n SER 3 Ca -0.10 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1wxb n SER 3 Cb 0.32 -4.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.64 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 1.27 -3.32 2.77 0.46 0.00 -1.26 -5.05 105.19 100.06 1wxb n GLY 4 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1wxb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxb s SER 5 N -0.59 2.06 -0.44 1.61 1.04 -1.26 -5.10 113.70 111.01 1wxb s SER 5 Ca 0.00 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 55.86 1wxb s SER 5 Cb 0.00 -0.52 0.02 0.00 0.10 0.00 0.00 66.02 65.62 1wxb s SER 5 CO 0.00 -0.22 0.79 -0.55 0.98 0.00 0.00 173.24 174.23 1wxb s SER 6 N 1.92 6.43 0.00 7.02 0.15 -1.26 -4.98 113.70 122.98 1wxb s SER 6 Ca 0.03 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wxb s SER 6 Cb -0.14 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wxb s SER 6 CO -0.06 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1wxb n GLY 7 N 4.92 3.19 3.88 9.45 0.00 -1.26 -5.17 105.19 120.21 1wxb n GLY 7 Ca 0.02 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.74 3.33 0.05 1.61 2.20 -1.26 -5.06 119.74 118.86 1wxb s LYS 8 Ca 0.00 -0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1wxb s LYS 8 Cb 0.00 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 1wxb s LYS 8 CO 0.00 0.62 0.03 0.71 -0.36 0.00 0.00 175.35 176.35 1wxb s TYR 9 N -1.43 0.37 -0.01 4.03 2.02 -1.26 -3.63 117.35 117.44 1wxb s TYR 9 Ca 0.31 -0.83 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 1wxb s TYR 9 Cb -0.13 -0.27 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1wxb s TYR 9 CO 0.24 -0.38 -0.24 0.54 -1.57 0.00 0.00 175.55 174.14 1wxb s VAL 10 N -3.37 1.87 -0.44 0.71 0.11 -1.13 -3.60 120.40 114.56 1wxb s VAL 10 Ca 0.02 -1.03 -0.11 0.00 -2.93 0.00 0.00 61.98 57.93 1wxb s VAL 10 Cb 0.04 -1.56 0.08 0.00 -1.53 0.00 0.00 36.38 33.41 1wxb s VAL 10 CO -0.08 0.51 0.30 -0.75 -3.33 0.00 0.00 175.10 171.76 1wxb s LYS 11 N -0.60 2.68 0.36 1.54 2.20 -1.18 -1.91 119.74 122.82 1wxb s LYS 11 Ca 0.09 -1.48 -0.24 0.00 -0.36 0.00 0.00 55.97 53.98 1wxb s LYS 11 Cb -0.09 -3.88 -0.14 0.00 -1.51 0.00 0.00 37.83 32.20 1wxb s LYS 11 CO -0.01 -1.01 0.52 -0.89 -0.36 0.00 0.00 175.35 173.60 1wxb n ILE 12 N 4.98 1.64 -0.07 5.43 2.08 0.18 -4.01 119.36 129.59 1wxb n ILE 12 Ca -0.10 -0.50 -0.09 0.00 0.56 0.00 0.00 62.75 62.61 1wxb n ILE 12 Cb 0.43 -0.39 -0.07 0.00 -0.75 0.00 0.00 39.64 38.86 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 1.61 2.60 -4.11 1.39 4.77 -0.81 -3.36 117.00 119.08 1wxb n LEU 13 Ca 0.12 -0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 1wxb n LEU 13 Cb 0.36 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 1wxb n LEU 13 CO 0.56 0.68 -0.48 -0.31 -1.33 0.00 0.00 177.39 176.51 1wxb s TYR 14 N -2.29 1.39 -0.29 -1.77 1.51 -1.26 -4.69 117.35 109.95 1wxb s TYR 14 Ca -0.18 -0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 55.30 1wxb s TYR 14 Cb 0.05 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1wxb s TYR 14 CO 0.35 -0.07 2.13 -0.51 -1.11 0.00 0.00 175.55 176.34 1wxb s ASP 15 N -0.18 5.42 -0.11 2.29 1.11 -1.26 -4.60 116.67 119.35 1wxb s ASP 15 Ca 0.02 1.60 -0.02 0.00 0.18 0.00 0.00 52.55 54.33 1wxb s ASP 15 Cb -0.08 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1wxb s ASP 15 CO 0.00 -2.03 -0.03 0.12 1.18 0.00 0.00 175.17 174.41 1wxb s PHE 16 N 8.49 3.05 -0.15 4.23 5.36 -1.10 -4.94 117.98 132.92 1wxb s PHE 16 Ca 0.94 -0.03 -0.02 0.00 -0.96 0.00 0.00 56.93 56.87 1wxb s PHE 16 Cb -0.28 -1.83 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1wxb s PHE 16 CO 0.33 0.25 -0.09 0.99 -1.46 0.00 0.00 175.22 175.23 1wxb s THR 17 N -0.41 3.27 -0.16 0.12 2.01 -1.26 -1.00 115.64 118.22 1wxb s THR 17 Ca 0.07 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1wxb s THR 17 Cb -0.12 -2.41 -0.07 0.00 0.01 0.00 0.00 72.50 69.90 1wxb s THR 17 CO 0.02 0.50 2.13 0.00 -0.69 0.00 0.00 174.62 176.58 1wxb n ALA 18 N 3.81 1.59 -0.31 7.40 0.00 -1.21 -4.80 120.51 126.99 1wxb n ALA 18 Ca -0.18 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.28 1wxb n ALA 18 Cb 0.52 -2.79 0.26 0.00 0.00 0.00 0.00 19.45 17.44 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 8.22 2.80 -3.93 0.00 1.74 -1.26 -4.95 116.66 119.28 1wxb n ARG 19 Ca 0.28 -2.44 -0.10 0.00 -0.77 0.00 0.00 57.85 54.81 1wxb n ARG 19 Cb 0.40 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.00 0.22 0.15 0.55 0.01 -1.26 -5.05 114.94 108.56 1wxb s ASN 20 Ca 0.39 -1.13 -0.06 0.00 -0.71 0.00 0.00 52.86 51.35 1wxb s ASN 20 Cb 0.21 0.73 -0.02 0.00 0.41 0.00 0.00 41.25 42.58 1wxb s ASN 20 CO 0.27 -1.43 1.39 0.00 -1.51 0.00 0.00 177.10 175.81 1wxb h ALA 21 N 2.08 0.49 -0.49 0.60 0.00 -2.01 -3.13 119.26 116.80 1wxb h ALA 21 Ca -0.28 -0.59 -0.41 0.00 0.00 0.00 0.00 54.91 53.62 1wxb h ALA 21 Cb 1.25 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 1wxb h ALA 21 CO 0.37 0.72 0.37 0.09 0.00 0.00 0.00 179.25 180.80 1wxb n ASN 22 N -3.89 6.43 -3.83 0.00 3.02 -1.26 -4.84 115.26 110.89 1wxb n ASN 22 Ca -0.05 -3.12 -0.12 0.00 -0.03 0.00 0.00 54.58 51.25 1wxb n ASN 22 Cb 0.71 -1.17 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 1wxb n ASN 22 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wxb s GLU 23 N -1.65 0.49 0.11 3.52 2.02 -1.18 -2.96 118.70 119.04 1wxb s GLU 23 Ca 0.48 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 55.33 1wxb s GLU 23 Cb 0.32 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.73 1wxb s GLU 23 CO -0.12 -0.12 -0.02 -1.17 0.02 0.00 0.00 175.26 173.86 1wxb s LEU 24 N -1.06 3.37 -0.31 1.80 2.96 -1.22 -4.58 118.68 119.64 1wxb s LEU 24 Ca -0.11 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1wxb s LEU 24 Cb -0.06 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1wxb s LEU 24 CO 0.02 0.16 0.13 -0.94 -1.32 0.00 0.00 176.35 174.40 1wxb s SER 25 N -2.44 5.42 0.40 3.68 1.04 -1.26 -3.32 113.70 117.23 1wxb s SER 25 Ca 0.25 -0.63 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1wxb s SER 25 Cb -0.11 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 1wxb s SER 25 CO 0.18 -0.21 0.11 0.68 0.98 0.00 0.00 173.24 174.97 1wxb s VAL 26 N 1.57 0.75 0.45 5.02 -7.23 -0.17 -4.93 120.40 115.86 1wxb s VAL 26 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1wxb s VAL 26 Cb -0.17 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1wxb s VAL 26 CO 0.05 0.00 0.11 -0.76 -0.31 0.00 0.00 175.10 174.19 1wxb s LEU 27 N -3.61 2.05 0.26 1.32 1.43 -1.26 -2.70 118.68 116.17 1wxb s LEU 27 Ca 0.24 -1.72 -0.25 0.00 -1.03 0.00 0.00 54.13 51.38 1wxb s LEU 27 Cb 0.04 -0.23 -0.09 0.00 0.03 0.00 0.00 46.19 45.93 1wxb s LEU 27 CO 0.14 -0.96 0.86 -0.75 0.23 0.00 0.00 176.35 175.87 1wxb s LYS 28 N -3.72 4.54 -0.86 1.70 2.20 -1.26 -3.44 119.74 118.89 1wxb s LYS 28 Ca 0.17 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1wxb s LYS 28 Cb 0.01 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1wxb s LYS 28 CO 0.11 0.39 0.00 -0.25 -0.36 0.00 0.00 175.35 175.24 1wxb n ASP 29 N 0.89 -3.47 -4.79 1.43 9.92 -1.21 -4.98 116.55 114.33 1wxb n ASP 29 Ca -0.01 0.05 -0.22 0.00 -0.53 0.00 0.00 54.79 54.09 1wxb n ASP 29 Cb 0.50 -2.50 -0.05 0.00 -0.64 0.00 0.00 41.12 38.43 1wxb n ASP 29 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1wxb s GLU 30 N -4.04 2.71 -0.10 -1.24 2.02 -1.22 -4.94 118.70 111.89 1wxb s GLU 30 Ca 0.00 -1.23 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 1wxb s GLU 30 Cb 0.00 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.83 1wxb s GLU 30 CO 0.00 0.28 -0.01 0.08 0.02 0.00 0.00 175.26 175.63 1wxb s VAL 31 N -2.24 0.54 0.44 2.63 1.01 -1.26 0.51 120.40 122.02 1wxb s VAL 31 Ca 0.35 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1wxb s VAL 31 Cb -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1wxb s VAL 31 CO 0.24 0.19 0.34 -0.76 0.00 0.00 0.00 175.10 175.11 1wxb s LEU 32 N 1.89 3.22 -0.36 3.92 2.01 -0.80 -4.96 118.68 123.60 1wxb s LEU 32 Ca 0.04 -0.90 -0.19 0.00 0.01 0.00 0.00 54.13 53.09 1wxb s LEU 32 Cb -0.13 -1.78 0.00 0.00 0.01 0.00 0.00 46.19 44.29 1wxb s LEU 32 CO -0.06 -0.70 0.54 -0.70 1.01 0.00 0.00 176.35 176.43 1wxb s GLU 33 N -4.11 3.57 -0.26 1.70 -6.30 -0.56 -2.81 118.70 109.93 1wxb s GLU 33 Ca 0.45 -0.18 -0.27 0.00 -2.50 0.00 0.00 54.97 52.47 1wxb s GLU 33 Cb -0.01 -3.83 0.00 0.00 0.00 0.00 0.00 34.13 30.29 1wxb s GLU 33 CO 0.26 -0.70 0.93 0.54 0.02 0.00 0.00 175.26 176.32 1wxb s VAL 34 N 2.46 4.72 -0.21 3.70 0.11 -1.24 -0.74 120.40 129.20 1wxb s VAL 34 Ca 0.19 1.69 -0.08 0.00 -2.93 0.00 0.00 61.98 60.85 1wxb s VAL 34 Cb -0.15 -4.24 -0.10 0.00 -1.53 0.00 0.00 36.38 30.36 1wxb s VAL 34 CO 0.14 -0.21 -0.26 0.18 -3.33 0.00 0.00 175.10 171.63 1wxb n LEU 35 N 6.29 1.78 -4.53 2.54 4.77 -0.71 -4.75 117.00 122.39 1wxb n LEU 35 Ca 0.08 0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.92 1wxb n LEU 35 Cb 0.47 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 1wxb n LEU 35 CO 0.51 0.52 -0.38 -1.61 -1.33 0.00 0.00 177.39 175.10 1wxb s GLU 36 N -2.39 3.16 0.31 3.23 2.02 -1.21 -4.99 118.70 118.82 1wxb s GLU 36 Ca -0.29 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 1wxb s GLU 36 Cb 0.11 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 1wxb s GLU 36 CO 0.39 0.46 0.40 0.16 0.02 0.00 0.00 175.26 176.69 1wxb s ASP 37 N -0.25 0.82 -1.02 -0.19 -4.77 -1.26 -2.81 116.67 107.19 1wxb s ASP 37 Ca 0.04 -1.45 0.00 0.00 -3.30 0.00 0.00 52.55 47.83 1wxb s ASP 37 Cb -0.13 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.30 1wxb s ASP 37 CO 0.03 -1.18 0.00 0.61 0.70 0.00 0.00 175.17 175.33 1wxb n GLY 38 N -0.51 1.08 3.40 2.12 0.00 -1.26 -4.98 105.19 105.03 1wxb n GLY 38 Ca 0.02 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.62 1.49 0.00 1.61 1.81 -1.26 -5.07 118.95 114.91 1wxb s ARG 39 Ca 0.00 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 1wxb s ARG 39 Cb 0.00 -0.91 0.00 0.00 -0.45 0.00 0.00 34.95 33.59 1wxb s ARG 39 CO 0.00 -0.05 0.68 1.04 -0.68 0.00 0.00 175.30 176.29 1wxb n GLN 40 N -0.55 0.00 -4.26 3.54 6.02 -1.26 -4.36 117.38 116.52 1wxb n GLN 40 Ca -0.05 0.68 -0.35 0.00 -0.01 0.00 0.00 57.00 57.27 1wxb n GLN 40 Cb 0.64 -1.14 -0.09 0.00 1.02 0.00 0.00 30.24 30.67 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 -2.00 3.23 0.56 1.08 0.52 -1.26 -4.41 118.94 116.66 1wxb s TRP 41 Ca 0.00 0.20 -0.08 0.00 0.02 0.00 0.00 56.10 56.24 1wxb s TRP 41 Cb 0.00 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 1wxb s TRP 41 CO 0.00 0.44 0.91 -1.58 0.02 0.00 0.00 176.95 176.75 1wxb s TRP 42 N -0.69 3.53 -0.35 -1.98 0.52 -0.63 -4.80 118.94 114.53 1wxb s TRP 42 Ca 0.11 0.98 0.04 0.00 0.02 0.00 0.00 56.10 57.25 1wxb s TRP 42 Cb -0.12 -2.57 0.10 0.00 -1.15 0.00 0.00 33.47 29.74 1wxb s TRP 42 CO 0.02 -0.57 0.06 0.21 0.02 0.00 0.00 176.95 176.70 1wxb s LYS 43 N -4.98 1.52 0.48 4.98 2.20 -1.13 -1.64 119.74 121.17 1wxb s LYS 43 Ca 0.52 -1.90 0.01 0.00 -0.36 0.00 0.00 55.97 54.24 1wxb s LYS 43 Cb -0.11 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1wxb s LYS 43 CO 0.49 -0.95 0.70 -0.51 -0.36 0.00 0.00 175.35 174.71 1wxb s LEU 44 N 0.87 3.52 -0.07 5.43 2.01 -0.92 -1.73 118.68 127.79 1wxb s LEU 44 Ca 0.11 0.11 -0.03 0.00 0.01 0.00 0.00 54.13 54.34 1wxb s LEU 44 Cb -0.19 -3.00 0.04 0.00 0.01 0.00 0.00 46.19 43.04 1wxb s LEU 44 CO -0.08 -0.86 0.14 -0.60 1.01 0.00 0.00 176.35 175.96 1wxb s ARG 45 N -4.61 0.05 0.66 1.70 3.52 0.08 -2.10 118.95 118.26 1wxb s ARG 45 Ca 0.52 0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 56.47 1wxb s ARG 45 Cb -0.10 -0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.09 1wxb s ARG 45 CO 0.37 -0.22 0.98 0.45 -0.81 0.00 0.00 175.30 176.08 1wxb s SER 46 N 1.60 5.24 0.16 -2.12 0.15 0.10 -1.50 113.70 117.33 1wxb s SER 46 Ca -0.04 0.68 0.18 0.00 0.70 0.00 0.00 55.95 57.47 1wxb s SER 46 Cb -0.12 -1.50 0.78 0.00 -1.71 0.00 0.00 66.02 63.47 1wxb s SER 46 CO -0.06 -1.34 1.54 -2.11 1.20 0.00 0.00 173.24 172.48 1wxb n ARG 47 N -2.80 0.10 0.00 5.44 0.00 -1.26 -1.39 116.66 116.75 1wxb n ARG 47 Ca 0.06 0.42 0.12 0.00 -0.00 0.00 0.00 57.85 58.45 1wxb n ARG 47 Cb 0.59 -1.73 0.65 0.00 -0.00 0.00 0.00 32.46 31.97 1wxb n ARG 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wxb n SER 48 N -1.94 0.00 0.00 2.89 7.64 -1.26 -4.82 113.62 116.13 1wxb n SER 48 Ca 0.02 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1wxb n SER 48 Cb 0.15 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.54 0.91 3.86 0.23 0.00 -0.49 -5.03 105.19 105.21 1wxb n GLY 49 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.27 3.93 -0.09 1.61 -0.21 -1.24 -4.89 119.66 118.48 1wxb s GLN 50 Ca 0.00 0.48 -0.05 0.00 0.02 0.00 0.00 55.36 55.81 1wxb s GLN 50 Cb 0.00 -2.63 0.04 0.00 1.00 0.00 0.00 33.01 31.42 1wxb s GLN 50 CO 0.00 0.29 0.22 0.00 -2.12 0.00 0.00 175.29 173.68 1wxb s ALA 51 N -1.80 -0.48 0.22 6.09 0.00 -1.26 0.00 121.76 124.52 1wxb s ALA 51 Ca 0.48 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 1wxb s ALA 51 Cb -0.12 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1wxb s ALA 51 CO 0.20 -0.19 0.20 0.20 0.00 0.00 0.00 175.76 176.17 1wxb s GLY 52 N 1.22 1.35 0.05 0.00 0.00 -0.89 -4.86 107.32 104.18 1wxb s GLY 52 Ca -0.09 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 42.97 1wxb s GLY 52 CO -0.08 -1.28 0.33 -0.19 0.00 0.00 0.00 173.10 171.88 1wxb s TYR 53 N -4.09 3.56 0.17 1.90 2.02 -1.16 -2.16 117.35 117.60 1wxb s TYR 53 Ca 0.36 0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 57.59 1wxb s TYR 53 Cb 0.06 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 1wxb s TYR 53 CO 0.12 0.55 0.34 0.14 -1.57 0.00 0.00 175.55 175.14 1wxb s VAL 54 N -1.39 0.06 0.35 0.71 -7.23 -0.65 -3.41 120.40 108.84 1wxb s VAL 54 Ca 0.32 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1wxb s VAL 54 Cb -0.13 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 1wxb s VAL 54 CO 0.18 -0.27 1.06 -2.16 -0.31 0.00 0.00 175.10 173.61 1wxb s PRO 55 N -3.94 4.35 0.00 4.82 0.04 -1.26 -1.60 135.00 137.41 1wxb s PRO 55 Ca 0.14 1.61 0.31 0.00 0.04 0.00 0.00 61.00 63.11 1wxb s PRO 55 Cb 0.02 -2.79 1.76 0.00 0.04 0.00 0.00 34.50 33.53 1wxb s PRO 55 CO -0.01 0.00 2.16 0.00 0.04 0.00 0.00 177.00 179.19 1wxb h ASN 57 N 0.03 0.38 0.64 0.00 -0.73 -1.94 -2.77 115.58 111.19 1wxb h ASN 57 Ca 0.00 -0.15 -0.05 0.00 1.87 0.00 0.00 56.30 57.98 1wxb h ASN 57 Cb 0.11 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1wxb h ASN 57 CO 0.00 0.70 -1.40 2.30 -0.37 0.00 0.00 177.43 178.66 1wxb n ILE 58 N -4.07 0.60 -1.54 2.57 -5.35 -1.18 -4.92 119.36 105.48 1wxb n ILE 58 Ca -0.01 -0.58 -0.31 0.00 -0.27 0.00 0.00 62.75 61.58 1wxb n ILE 58 Cb 0.45 -0.33 0.06 0.00 -1.74 0.00 0.00 39.64 38.07 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 -5.23 3.14 -0.07 7.28 1.43 -1.05 -1.92 118.68 122.27 1wxb s LEU 59 Ca -0.03 1.68 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 1wxb s LEU 59 Cb 0.10 -4.50 0.05 0.00 0.03 0.00 0.00 46.19 41.87 1wxb s LEU 59 CO 0.83 -1.56 0.52 -0.83 0.23 0.00 0.00 176.35 175.54 1wxb s GLY 60 N -3.61 -0.39 0.17 -3.19 0.00 -1.26 -4.89 107.32 94.15 1wxb s GLY 60 Ca 0.59 1.00 -0.32 0.00 0.00 0.00 0.00 44.72 46.00 1wxb s GLY 60 CO 0.54 0.72 1.74 -1.83 0.00 0.00 0.00 173.10 174.27 1wxb s GLU 61 N -0.95 4.14 0.24 2.90 -1.05 -1.26 -3.09 118.70 119.63 1wxb s GLU 61 Ca -0.10 2.57 0.05 0.00 -0.15 0.00 0.00 54.97 57.34 1wxb s GLU 61 Cb -0.03 -3.28 -0.03 0.00 -0.44 0.00 0.00 34.13 30.36 1wxb s GLU 61 CO 0.06 -0.77 0.34 0.00 0.95 0.00 0.00 175.26 175.85 1wxb s ALA 62 N 1.75 3.90 -0.25 -0.84 0.00 -1.24 -4.81 121.76 120.27 1wxb s ALA 62 Ca 0.76 -1.24 -0.42 0.00 0.00 0.00 0.00 51.96 51.07 1wxb s ALA 62 Cb -0.47 -1.70 -0.18 0.00 0.00 0.00 0.00 23.12 20.77 1wxb s ALA 62 CO 0.33 0.26 1.54 -1.13 0.00 0.00 0.00 175.76 176.76 1wxb n SER 63 N -1.35 1.54 -3.49 0.00 3.41 -1.26 -4.87 113.62 107.60 1wxb n SER 63 Ca -0.09 1.13 -0.00 0.00 -0.26 0.00 0.00 58.87 59.65 1wxb n SER 63 Cb 0.57 -1.03 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1wxb n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxb n GLY 64 N 3.48 0.44 0.15 5.00 0.00 -1.26 -4.88 105.19 108.12 1wxb n GLY 64 Ca 0.26 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1wxb n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxb h PRO 65 N 0.00 0.30 0.00 1.61 0.13 -1.97 -3.47 132.00 128.60 1wxb h PRO 65 Ca -0.24 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1wxb h PRO 65 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wxb h PRO 65 CO 0.34 0.97 0.00 0.43 -0.23 0.00 0.00 178.00 179.51 1wxb n SER 66 N -3.74 0.00 -4.22 1.44 7.64 -1.26 -4.08 113.62 109.39 1wxb n SER 66 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 1wxb n SER 66 Cb 0.77 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.90 1wxb n SER 66 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxb s SER 67 N -4.00 5.85 0.00 6.43 0.15 -1.26 -5.27 113.70 115.60 1wxb s SER 67 Ca 0.00 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 54.52 1wxb s SER 67 Cb 0.00 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1wxb s SER 67 CO 0.00 -0.65 0.31 0.61 1.20 0.00 0.00 173.24 174.70