#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv s SER 2 N 0.00 6.40 0.03 1.61 1.04 -1.26 -4.96 113.70 116.56 1wfv s SER 2 Ca 0.00 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 1wfv s SER 2 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 1wfv s SER 2 CO 0.00 -0.01 -0.04 -0.24 0.98 0.00 0.00 173.24 173.93 1wfv n SER 3 N 4.20 0.80 -2.90 7.02 2.88 -1.26 -5.08 113.62 119.28 1wfv n SER 3 Ca -0.10 0.11 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1wfv n SER 3 Cb 0.51 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1wfv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfv n GLY 4 N 3.13 0.02 3.08 0.46 0.00 -1.26 -4.98 105.19 105.63 1wfv n GLY 4 Ca -0.02 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1wfv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfv s SER 5 N -0.92 1.37 -0.04 1.61 0.15 -1.26 -5.14 113.70 109.47 1wfv s SER 5 Ca 0.03 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1wfv s SER 5 Cb -0.00 -0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1wfv s SER 5 CO 0.08 0.11 0.04 -0.55 1.20 0.00 0.00 173.24 174.11 1wfv s SER 6 N -0.47 0.91 -0.28 5.45 0.15 -1.26 -4.96 113.70 113.24 1wfv s SER 6 Ca 0.03 0.03 -0.10 0.00 0.70 0.00 0.00 55.95 56.61 1wfv s SER 6 Cb -0.05 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1wfv s SER 6 CO -0.00 -0.19 0.39 0.61 1.20 0.00 0.00 173.24 175.24 1wfv n GLY 7 N 4.89 -1.09 3.53 9.45 0.00 -1.26 -4.90 105.19 115.82 1wfv n GLY 7 Ca -0.12 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 1wfv n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfv s GLN 8 N -2.06 3.73 0.21 1.61 -0.21 -1.26 -4.91 119.66 116.77 1wfv s GLN 8 Ca 0.16 -1.58 -0.01 0.00 0.02 0.00 0.00 55.36 53.95 1wfv s GLN 8 Cb -0.04 -5.29 0.00 0.00 1.00 0.00 0.00 33.01 28.68 1wfv s GLN 8 CO 0.49 -2.10 0.29 -0.25 -2.12 0.00 0.00 175.29 171.61 1wfv n ASP 9 N 8.03 -0.80 -0.10 5.90 8.00 -1.26 -5.10 116.55 131.22 1wfv n ASP 9 Ca 0.35 -2.14 -0.17 0.00 0.71 0.00 0.00 54.79 53.53 1wfv n ASP 9 Cb 0.49 1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 43.02 1wfv n ASP 9 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wfv n PHE 10 N -0.35 0.75 -3.15 1.24 3.01 -1.26 -5.00 117.46 112.70 1wfv n PHE 10 Ca 0.01 0.32 0.06 0.00 1.01 0.00 0.00 57.45 58.84 1wfv n PHE 10 Cb 0.35 -0.95 -0.01 0.00 -0.01 0.00 0.00 39.48 38.87 1wfv n PHE 10 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1wfv s ASP 11 N -6.58 -0.37 -1.29 4.37 1.01 -1.26 -4.93 116.67 107.61 1wfv s ASP 11 Ca -0.27 0.13 -0.18 0.00 0.71 0.00 0.00 52.55 52.94 1wfv s ASP 11 Cb 0.06 1.27 0.06 0.00 1.01 0.00 0.00 42.92 45.32 1wfv s ASP 11 CO 0.46 -0.07 1.75 -0.31 0.21 0.00 0.00 175.17 177.21 1wfv s TYR 12 N 2.96 2.72 0.09 4.23 2.02 -1.26 -3.75 117.35 124.35 1wfv s TYR 12 Ca 0.12 -1.48 0.04 0.00 -0.37 0.00 0.00 57.07 55.39 1wfv s TYR 12 Cb -0.06 -4.71 -0.04 0.00 -0.40 0.00 0.00 41.96 36.76 1wfv s TYR 12 CO -0.16 -1.77 0.02 -0.59 -1.57 0.00 0.00 175.55 171.48 1wfv s PHE 13 N 4.70 3.05 0.40 2.71 -0.71 -1.06 -4.98 117.98 122.09 1wfv s PHE 13 Ca 0.55 0.00 -0.00 0.00 -1.04 0.00 0.00 56.93 56.44 1wfv s PHE 13 Cb 0.04 -1.56 -0.02 0.00 -1.21 0.00 0.00 43.02 40.26 1wfv s PHE 13 CO 0.08 0.49 0.62 0.95 -1.34 0.00 0.00 175.22 176.03 1wfv s THR 14 N -1.33 4.71 0.10 -4.49 -4.23 -1.26 -1.00 115.64 108.13 1wfv s THR 14 Ca 0.27 -0.38 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 1wfv s THR 14 Cb -0.12 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1wfv s THR 14 CO 0.19 -0.53 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.80 1wfv s VAL 15 N -2.46 2.10 -0.09 2.29 1.01 0.29 -4.85 120.40 118.69 1wfv s VAL 15 Ca 0.44 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1wfv s VAL 15 Cb -0.10 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1wfv s VAL 15 CO 0.38 0.12 0.01 -0.62 0.00 0.00 0.00 175.10 174.99 1wfv s ASP 16 N -1.83 1.77 0.26 3.32 -1.08 -1.26 -3.42 116.67 114.43 1wfv s ASP 16 Ca 0.12 -0.20 -0.12 0.00 -0.52 0.00 0.00 52.55 51.84 1wfv s ASP 16 Cb -0.10 -0.44 -0.00 0.00 -1.46 0.00 0.00 42.92 40.92 1wfv s ASP 16 CO 0.05 -0.22 0.49 -0.04 0.52 0.00 0.00 175.17 175.96 1wfv s MET 17 N 1.97 1.61 0.47 4.34 1.00 -1.13 -4.95 119.30 122.62 1wfv s MET 17 Ca 0.04 -1.33 0.04 0.00 0.00 0.00 0.00 55.69 54.45 1wfv s MET 17 Cb -0.13 0.47 -0.04 0.00 0.00 0.00 0.00 34.83 35.13 1wfv s MET 17 CO -0.06 -0.67 0.05 -1.21 0.00 0.00 0.00 175.02 173.13 1wfv s GLU 18 N -3.83 2.12 0.39 2.03 2.02 -1.26 -1.88 118.70 118.28 1wfv s GLU 18 Ca 0.23 -2.21 -0.10 0.00 0.02 0.00 0.00 54.97 52.91 1wfv s GLU 18 Cb -0.01 -1.66 -0.06 0.00 0.10 0.00 0.00 34.13 32.50 1wfv s GLU 18 CO 0.10 -0.24 0.75 0.21 0.02 0.00 0.00 175.26 176.11 1wfv s LYS 19 N -3.85 3.78 0.00 1.61 2.20 0.51 -4.51 119.74 119.48 1wfv s LYS 19 Ca 0.22 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1wfv s LYS 19 Cb 0.05 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1wfv s LYS 19 CO 0.12 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 1wfv n GLY 20 N -1.21 1.41 0.08 5.54 0.00 0.17 -4.92 105.19 106.26 1wfv n GLY 20 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1wfv n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h ALA 21 N 0.19 0.08 -0.25 4.61 0.00 -1.98 -3.41 119.26 118.49 1wfv h ALA 21 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 1wfv h ALA 21 Cb 0.00 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1wfv h ALA 21 CO 0.00 0.50 -0.23 1.63 0.00 0.00 0.00 179.25 181.15 1wfv n LYS 22 N -4.58 1.80 0.00 0.00 5.02 -1.26 -5.07 118.16 114.07 1wfv n LYS 22 Ca -0.14 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.89 1wfv n LYS 22 Cb 0.37 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfv n GLY 23 N -1.12 0.61 1.59 0.72 0.00 -1.26 -4.79 105.19 100.94 1wfv n GLY 23 Ca 0.29 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 1wfv n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wfv n PHE 24 N 3.78 0.29 -3.21 1.61 3.01 -1.26 0.43 117.46 122.11 1wfv n PHE 24 Ca 0.00 -1.19 -0.23 0.00 1.01 0.00 0.00 57.45 57.04 1wfv n PHE 24 Cb 0.00 -0.61 -0.05 0.00 -0.01 0.00 0.00 39.48 38.81 1wfv n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wfv n GLY 25 N 1.31 -0.20 3.27 1.37 0.00 -1.26 -3.90 105.19 105.78 1wfv n GLY 25 Ca 0.07 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1wfv n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wfv s PHE 26 N -2.41 -0.46 0.26 1.61 -0.12 -1.26 0.25 117.98 115.86 1wfv s PHE 26 Ca 0.41 1.08 0.11 0.00 -0.05 0.00 0.00 56.93 58.47 1wfv s PHE 26 Cb -0.24 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 1wfv s PHE 26 CO 0.56 -0.23 -0.11 0.45 -0.05 0.00 0.00 175.22 175.84 1wfv s SER 27 N 0.46 4.02 0.38 1.98 0.15 -0.20 -5.01 113.70 115.48 1wfv s SER 27 Ca -0.02 -0.83 0.08 0.00 0.70 0.00 0.00 55.95 55.88 1wfv s SER 27 Cb -0.04 -0.55 -0.07 0.00 -1.71 0.00 0.00 66.02 63.65 1wfv s SER 27 CO -0.02 0.03 -0.05 0.27 1.20 0.00 0.00 173.24 174.68 1wfv s ILE 28 N -2.32 2.13 0.14 6.45 -4.36 -1.26 -0.83 121.20 121.15 1wfv s ILE 28 Ca 0.30 -2.11 -0.05 0.00 -0.26 0.00 0.00 60.65 58.53 1wfv s ILE 28 Cb -0.06 -2.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1wfv s ILE 28 CO 0.17 -0.11 0.17 0.00 0.24 0.00 0.00 174.94 175.41 1wfv s ARG 29 N -3.66 1.03 2.00 0.37 1.04 0.30 -4.22 118.95 115.81 1wfv s ARG 29 Ca 0.34 -1.29 0.00 0.00 -1.04 0.00 0.00 55.73 53.74 1wfv s ARG 29 Cb 0.06 0.31 0.00 0.00 -2.04 0.00 0.00 34.95 33.28 1wfv s ARG 29 CO 0.17 -0.34 0.00 0.41 -0.04 0.00 0.00 175.30 175.51 1wfv n GLY 30 N -0.15 -1.13 0.00 3.88 0.00 -1.26 -1.06 105.19 105.48 1wfv n GLY 30 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1wfv n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfv n GLY 31 N 0.00 2.63 0.36 -0.02 0.00 -0.23 -3.75 105.19 104.19 1wfv n GLY 31 Ca 0.00 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.28 1wfv n GLY 31 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 32 N 0.00 0.00 -0.75 1.61 2.47 -0.52 0.00 114.38 117.19 1wfv h ARG 32 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1wfv h ARG 32 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1wfv h ARG 32 CO 0.00 0.00 0.44 1.49 0.56 0.00 0.00 179.97 182.46 1wfv h GLU 33 N 0.00 1.02 -0.54 0.04 4.57 -1.88 -1.87 114.58 115.92 1wfv h GLU 33 Ca 0.21 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1wfv h GLU 33 Cb 0.84 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1wfv h GLU 33 CO -0.00 0.72 0.00 0.66 -1.18 0.00 0.00 179.01 179.21 1wfv n TYR 34 N -4.38 1.55 -3.90 0.92 4.01 -0.12 -4.95 117.16 110.29 1wfv n TYR 34 Ca 0.08 -0.70 -0.26 0.00 -0.16 0.00 0.00 57.90 56.86 1wfv n TYR 34 Cb 0.07 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 1wfv n TYR 34 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1wfv n LYS 35 N 0.62 -4.22 -3.78 -0.72 4.76 -0.70 -4.86 118.16 109.25 1wfv n LYS 35 Ca 0.25 0.50 -0.10 0.00 -2.87 0.00 0.00 58.31 56.10 1wfv n LYS 35 Cb 0.98 -4.99 -0.05 0.00 -1.84 0.00 0.00 35.03 29.13 1wfv n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wfv s MET 36 N -6.44 1.17 1.00 1.97 0.23 -0.57 -5.00 119.30 111.66 1wfv s MET 36 Ca 0.23 -0.92 -0.13 0.00 -1.03 0.00 0.00 55.69 53.84 1wfv s MET 36 Cb -0.12 0.45 0.19 0.00 -1.53 0.00 0.00 34.83 33.81 1wfv s MET 36 CO 0.86 -0.46 1.12 -0.51 -2.03 0.00 0.00 175.02 174.00 1wfv s ASP 37 N -2.88 2.69 -0.21 -1.18 1.01 -1.26 -1.06 116.67 113.78 1wfv s ASP 37 Ca 0.09 0.99 -0.15 0.00 0.71 0.00 0.00 52.55 54.19 1wfv s ASP 37 Cb 0.02 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 1wfv s ASP 37 CO -0.06 -3.06 0.38 -0.76 0.21 0.00 0.00 175.17 171.88 1wfv s LEU 38 N -6.36 4.14 0.34 1.23 1.43 -1.24 -2.83 118.68 115.38 1wfv s LEU 38 Ca 0.66 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 54.29 1wfv s LEU 38 Cb -0.16 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 1wfv s LEU 38 CO 0.56 -0.09 -0.02 -0.31 0.23 0.00 0.00 176.35 176.72 1wfv s TYR 39 N 1.41 2.21 -0.76 0.29 1.51 -0.22 0.75 117.35 122.53 1wfv s TYR 39 Ca 0.18 -0.70 -0.26 0.00 -1.01 0.00 0.00 57.07 55.28 1wfv s TYR 39 Cb -0.15 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1wfv s TYR 39 CO 0.08 0.34 1.38 0.08 -1.11 0.00 0.00 175.55 176.32 1wfv s VAL 40 N -2.90 3.69 0.09 0.71 1.01 -1.22 0.11 120.40 121.90 1wfv s VAL 40 Ca 0.33 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 1wfv s VAL 40 Cb 0.06 -4.80 -0.13 0.00 0.00 0.00 0.00 36.38 31.51 1wfv s VAL 40 CO 0.15 -1.74 1.48 0.25 0.00 0.00 0.00 175.10 175.24 1wfv h LEU 41 N 13.50 -1.37 -7.22 3.92 7.12 -1.15 -3.07 115.31 127.03 1wfv h LEU 41 Ca -0.22 0.14 -0.08 0.00 0.13 0.00 0.00 57.88 57.86 1wfv h LEU 41 Cb 1.06 0.50 -0.18 0.00 -0.53 0.00 0.00 40.66 41.51 1wfv h LEU 41 CO 1.29 -0.49 -0.00 -0.60 -0.13 0.00 0.00 178.44 178.51 1wfv s ARG 42 N -5.38 0.93 0.01 1.25 3.00 -1.23 -4.79 118.95 112.74 1wfv s ARG 42 Ca -0.14 -0.04 0.01 0.00 -1.00 0.00 0.00 55.73 54.56 1wfv s ARG 42 Cb 0.05 0.43 -0.04 0.00 0.00 0.00 0.00 34.95 35.39 1wfv s ARG 42 CO 0.52 -0.30 0.02 -0.51 0.00 0.00 0.00 175.30 175.03 1wfv s LEU 43 N -1.49 3.60 -0.26 -0.88 1.43 -1.26 -1.04 118.68 118.78 1wfv s LEU 43 Ca -0.10 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.77 1wfv s LEU 43 Cb -0.02 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1wfv s LEU 43 CO 0.04 0.27 0.85 0.00 0.23 0.00 0.00 176.35 177.75 1wfv s ALA 44 N -1.14 3.62 0.50 4.21 0.00 0.14 -4.92 121.76 124.17 1wfv s ALA 44 Ca 0.21 -0.17 0.23 0.00 0.00 0.00 0.00 51.96 52.23 1wfv s ALA 44 Cb -0.12 -3.34 1.45 0.00 0.00 0.00 0.00 23.12 21.12 1wfv s ALA 44 CO 0.12 -1.04 2.14 1.05 0.00 0.00 0.00 175.76 178.03 1wfv h GLU 45 N 7.79 0.00 -0.37 0.00 4.11 -1.98 -1.69 114.58 122.44 1wfv h GLU 45 Ca -0.23 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.04 1wfv h GLU 45 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1wfv h GLU 45 CO 0.90 0.07 -0.02 -3.47 0.07 0.00 0.00 179.01 176.55 1wfv n ASP 46 N -4.03 2.81 -4.78 3.06 2.03 -1.26 -4.94 116.55 109.44 1wfv n ASP 46 Ca -0.03 -3.61 -0.24 0.00 0.52 0.00 0.00 54.79 51.43 1wfv n ASP 46 Cb 0.16 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.87 1wfv n ASP 46 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wfv s GLY 47 N -2.36 2.28 0.37 0.27 0.00 -0.63 -5.00 107.32 102.25 1wfv s GLY 47 Ca 0.45 -2.05 0.16 0.00 0.00 0.00 0.00 44.72 43.27 1wfv s GLY 47 CO 0.02 -1.86 1.77 -0.56 0.00 0.00 0.00 173.10 172.48 1wfv h PRO 48 N 1.32 0.00 0.11 2.90 0.13 -1.85 -3.28 132.00 131.33 1wfv h PRO 48 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wfv h PRO 48 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.67 0.40 -0.05 0.00 -0.23 0.00 0.00 178.00 178.79 1wfv h ALA 49 N 1.60 -0.94 -0.88 -0.56 0.00 -1.80 -0.80 119.26 115.88 1wfv h ALA 49 Ca -0.00 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.13 1wfv h ALA 49 Cb 0.80 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1wfv h ALA 49 CO 0.05 -0.93 1.05 0.97 0.00 0.00 0.00 179.25 180.39 1wfv h ILE 50 N -0.15 0.07 0.12 0.00 2.10 -1.70 1.74 117.51 119.68 1wfv h ILE 50 Ca -0.01 0.00 -0.29 0.00 1.08 0.00 0.00 64.86 65.63 1wfv h ILE 50 Cb 0.11 0.15 -0.00 0.00 -1.09 0.00 0.00 36.82 35.98 1wfv h ILE 50 CO 0.02 0.00 -1.41 0.03 -1.08 0.00 0.00 178.15 175.71 1wfv h ARG 51 N 0.00 0.25 0.59 2.19 3.08 -1.55 -3.36 114.38 115.58 1wfv h ARG 51 Ca 0.42 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1wfv h ARG 51 Cb 2.51 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 32.70 1wfv h ARG 51 CO -0.00 1.14 -0.50 -0.97 -1.07 0.00 0.00 179.97 178.56 1wfv h ASN 52 N 0.07 -1.35 0.00 7.04 -1.24 0.41 -3.47 115.58 117.04 1wfv h ASN 52 Ca -0.20 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.91 1wfv h ASN 52 Cb 2.00 0.43 0.00 0.00 0.73 0.00 0.00 38.32 41.48 1wfv h ASN 52 CO 0.18 -0.69 0.00 0.61 -1.29 0.00 0.00 177.43 176.23 1wfv n GLY 53 N -1.58 2.72 0.40 1.57 0.00 -1.13 -4.83 105.19 102.34 1wfv n GLY 53 Ca -0.13 -0.65 0.32 0.00 0.00 0.00 0.00 46.02 45.56 1wfv n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 54 N 0.00 -0.01 -4.25 1.61 1.74 -1.26 -4.13 116.66 110.35 1wfv n ARG 54 Ca 0.00 0.82 -0.22 0.00 -0.77 0.00 0.00 57.85 57.67 1wfv n ARG 54 Cb 0.00 -1.73 -0.12 0.00 -1.02 0.00 0.00 32.46 29.59 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfv s MET 55 N -4.53 1.03 0.18 5.56 0.23 -1.26 -4.95 119.30 115.56 1wfv s MET 55 Ca -0.04 -1.10 0.04 0.00 -1.03 0.00 0.00 55.69 53.56 1wfv s MET 55 Cb 0.20 -1.22 -0.01 0.00 -1.53 0.00 0.00 34.83 32.27 1wfv s MET 55 CO 0.59 0.28 0.14 0.54 -2.03 0.00 0.00 175.02 174.54 1wfv n ARG 56 N 1.15 0.28 -3.08 3.16 3.00 -1.26 -4.83 116.66 115.08 1wfv n ARG 56 Ca -0.20 -1.79 -0.36 0.00 -0.01 0.00 0.00 57.85 55.49 1wfv n ARG 56 Cb 0.54 1.40 -0.06 0.00 0.00 0.00 0.00 32.46 34.34 1wfv n ARG 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wfv s VAL 57 N -2.68 4.55 0.00 1.55 1.01 -1.26 -3.88 120.40 119.69 1wfv s VAL 57 Ca 0.20 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1wfv s VAL 57 Cb 0.01 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1wfv s VAL 57 CO 0.14 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1wfv n GLY 58 N 0.74 3.10 3.27 4.51 0.00 -1.16 -3.92 105.19 111.74 1wfv n GLY 58 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1wfv n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfv n ASP 59 N 0.13 -2.80 -4.03 1.61 8.00 -1.25 -4.51 116.55 113.71 1wfv n ASP 59 Ca 0.00 -0.39 -0.31 0.00 0.71 0.00 0.00 54.79 54.80 1wfv n ASP 59 Cb 0.00 -1.03 -0.16 0.00 -0.02 0.00 0.00 41.12 39.91 1wfv n ASP 59 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wfv s GLN 60 N -4.15 2.29 -0.06 -1.24 -0.44 -1.26 -3.37 119.66 111.43 1wfv s GLN 60 Ca 0.60 -0.81 -0.23 0.00 -2.50 0.00 0.00 55.36 52.41 1wfv s GLN 60 Cb -0.15 -2.40 -0.04 0.00 -1.64 0.00 0.00 33.01 28.77 1wfv s GLN 60 CO 0.58 -0.35 0.70 0.42 0.50 0.00 0.00 175.29 177.14 1wfv s ILE 61 N 1.37 5.04 -0.03 -2.34 1.01 0.23 -2.67 121.20 123.82 1wfv s ILE 61 Ca 0.01 1.44 0.13 0.00 0.00 0.00 0.00 60.65 62.23 1wfv s ILE 61 Cb -0.15 -4.04 -0.20 0.00 0.01 0.00 0.00 42.46 38.08 1wfv s ILE 61 CO -0.09 0.26 0.26 2.30 0.00 0.00 0.00 174.94 177.66 1wfv n ILE 62 N 3.74 0.12 -3.97 2.92 -0.00 -0.13 -3.69 119.36 118.35 1wfv n ILE 62 Ca -0.01 -0.34 -0.08 0.00 -0.00 0.00 0.00 62.75 62.32 1wfv n ILE 62 Cb 0.51 0.07 -0.09 0.00 -0.00 0.00 0.00 39.64 40.13 1wfv n ILE 62 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1wfv s GLU 63 N -2.83 0.68 -0.13 6.28 2.12 -1.16 -1.43 118.70 122.24 1wfv s GLU 63 Ca -0.05 -1.01 -0.06 0.00 0.36 0.00 0.00 54.97 54.21 1wfv s GLU 63 Cb 0.08 0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.78 1wfv s GLU 63 CO 0.55 -0.17 0.29 0.42 -0.54 0.00 0.00 175.26 175.81 1wfv s ILE 64 N -3.56 -0.17 -1.58 -3.70 1.01 -0.24 -0.95 121.20 112.00 1wfv s ILE 64 Ca 0.03 0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 1wfv s ILE 64 Cb 0.05 -0.46 0.09 0.00 0.01 0.00 0.00 42.46 42.15 1wfv s ILE 64 CO -0.09 0.07 0.58 0.59 0.00 0.00 0.00 174.94 176.09 1wfv n ASN 65 N 4.60 -1.80 -2.64 3.58 3.02 0.13 -0.27 115.26 121.88 1wfv n ASN 65 Ca -0.19 -1.04 -0.17 0.00 -0.03 0.00 0.00 54.58 53.15 1wfv n ASN 65 Cb 0.52 -2.75 0.05 0.00 -0.61 0.00 0.00 39.78 37.00 1wfv n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfv n GLY 66 N -1.72 -0.14 2.84 7.41 0.00 -1.25 -5.02 105.19 107.31 1wfv n GLY 66 Ca -0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1wfv n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfv s GLU 67 N -5.84 0.64 -0.31 1.61 0.41 0.63 -5.10 118.70 110.75 1wfv s GLU 67 Ca 0.38 -0.01 -0.28 0.00 -0.41 0.00 0.00 54.97 54.66 1wfv s GLU 67 Cb -0.17 -0.78 -0.03 0.00 -1.78 0.00 0.00 34.13 31.37 1wfv s GLU 67 CO 0.48 -0.15 2.00 -1.12 -0.49 0.00 0.00 175.26 175.98 1wfv s SER 68 N 1.19 5.61 -0.13 -0.19 0.01 -1.26 -1.08 113.70 117.85 1wfv s SER 68 Ca -0.07 1.48 -0.06 0.00 1.31 0.00 0.00 55.95 58.62 1wfv s SER 68 Cb -0.14 -2.52 -0.20 0.00 0.21 0.00 0.00 66.02 63.37 1wfv s SER 68 CO -0.02 -1.90 3.44 0.35 0.41 0.00 0.00 173.24 175.53 1wfv n THR 69 N 7.58 3.11 -0.09 1.44 -2.24 -0.51 -4.04 114.28 119.52 1wfv n THR 69 Ca 0.26 -1.83 -0.10 0.00 -2.27 0.00 0.00 64.05 60.11 1wfv n THR 69 Cb 0.47 -1.94 -0.14 0.00 -2.10 0.00 0.00 70.33 66.62 1wfv n THR 69 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfv n ARG 70 N 2.21 0.94 -2.42 -0.78 -4.01 -1.26 -4.60 116.66 106.74 1wfv n ARG 70 Ca 0.45 0.02 -0.16 0.00 -1.04 0.00 0.00 57.85 57.12 1wfv n ARG 70 Cb 0.83 -1.47 0.03 0.00 -3.04 0.00 0.00 32.46 28.81 1wfv n ARG 70 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1wfv n ASP 71 N -2.77 3.51 -4.35 2.89 8.00 -1.26 -4.90 116.55 117.66 1wfv n ASP 71 Ca -0.32 -3.14 -0.27 0.00 0.71 0.00 0.00 54.79 51.76 1wfv n ASP 71 Cb 1.06 -0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 41.60 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wfv s MET 72 N -3.57 1.34 0.05 -1.24 -1.94 -1.26 -4.99 119.30 107.69 1wfv s MET 72 Ca 0.41 -1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 1wfv s MET 72 Cb 0.39 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 1wfv s MET 72 CO -0.03 0.41 0.22 0.95 -0.01 0.00 0.00 175.02 176.57 1wfv s THR 73 N -1.07 5.37 0.36 2.05 -4.23 -1.26 -0.06 115.64 116.80 1wfv s THR 73 Ca 0.11 -0.28 0.25 0.00 -1.18 0.00 0.00 61.69 60.60 1wfv s THR 73 Cb -0.10 -3.61 0.39 0.00 1.34 0.00 0.00 72.50 70.52 1wfv s THR 73 CO 0.05 0.18 1.32 1.57 -0.54 0.00 0.00 174.62 177.20 1wfv n HIS 74 N 0.43 0.69 0.20 3.99 -0.00 -1.25 0.11 115.22 119.39 1wfv n HIS 74 Ca -0.06 0.69 -0.15 0.00 0.46 0.00 0.00 57.72 58.67 1wfv n HIS 74 Cb 0.51 -1.11 -0.08 0.00 -0.12 0.00 0.00 29.99 29.19 1wfv n HIS 74 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wfv h ALA 75 N 1.42 -0.45 -0.30 1.57 0.00 -1.93 -2.22 119.26 117.35 1wfv h ALA 75 Ca 0.74 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.59 1wfv h ALA 75 Cb 2.27 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 20.15 1wfv h ALA 75 CO -0.46 -0.72 -0.35 -0.09 0.00 0.00 0.00 179.25 177.63 1wfv h ARG 76 N -0.52 -0.32 -0.62 0.00 9.65 0.36 -0.85 114.38 122.08 1wfv h ARG 76 Ca -0.05 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 58.97 1wfv h ARG 76 Cb 0.39 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.96 1wfv h ARG 76 CO 0.08 -0.21 0.15 0.00 2.80 0.00 0.00 179.97 182.79 1wfv h ALA 77 N 0.54 0.76 0.00 2.80 0.00 -1.46 0.48 119.26 122.38 1wfv h ALA 77 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1wfv h ALA 77 Cb 0.56 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wfv h ALA 77 CO -0.48 -0.29 0.00 0.82 0.00 0.00 0.00 179.25 179.30 1wfv h ILE 78 N 0.29 0.00 0.02 0.00 1.08 -0.56 -1.96 117.51 116.38 1wfv h ILE 78 Ca 0.33 -0.13 -0.33 0.00 -0.39 0.00 0.00 64.86 64.34 1wfv h ILE 78 Cb 0.49 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1wfv h ILE 78 CO -0.40 0.00 -1.98 1.21 -0.69 0.00 0.00 178.15 176.28 1wfv n GLU 79 N -2.92 0.67 -0.11 2.37 2.13 0.13 -4.11 120.64 118.81 1wfv n GLU 79 Ca -0.02 0.20 -0.07 0.00 0.66 0.00 0.00 57.16 57.94 1wfv n GLU 79 Cb 0.13 -1.69 0.11 0.00 0.27 0.00 0.00 31.44 30.25 1wfv n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wfv h LEU 80 N 0.01 0.81 -1.40 4.31 3.38 0.17 0.71 115.31 123.31 1wfv h LEU 80 Ca -0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 1wfv h LEU 80 Cb 2.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1wfv h LEU 80 CO 0.06 0.95 0.14 0.40 0.09 0.00 0.00 178.44 180.08 1wfv h ILE 81 N 0.73 1.16 0.00 1.22 2.04 -1.60 -1.67 117.51 119.39 1wfv h ILE 81 Ca 0.12 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1wfv h ILE 81 Cb 0.62 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1wfv h ILE 81 CO 0.04 0.19 -1.33 2.29 0.00 0.00 0.00 178.15 179.34 1wfv n LYS 82 N -4.37 0.38 0.18 2.37 2.85 -1.05 -4.11 118.16 114.40 1wfv n LYS 82 Ca 0.02 -0.06 0.07 0.00 -1.05 0.00 0.00 58.31 57.30 1wfv n LYS 82 Cb 0.15 -1.57 0.14 0.00 -0.65 0.00 0.00 35.03 33.10 1wfv n LYS 82 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1wfv h SER 83 N 0.00 0.00 0.01 -5.58 0.87 0.96 -3.33 113.55 106.48 1wfv h SER 83 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wfv h SER 83 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1wfv h SER 83 CO 0.00 0.27 -0.00 1.23 -0.53 0.00 0.00 176.83 177.80 1wfv h GLY 84 N 3.53 -0.01 0.00 5.77 0.00 -1.47 -3.50 103.07 107.39 1wfv h GLY 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wfv h GLY 84 CO 0.04 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1wfv n GLY 85 N 1.32 0.35 0.10 4.60 0.00 -1.25 -4.85 105.19 105.46 1wfv n GLY 85 Ca -0.09 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.10 1wfv n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfv n ARG 86 N 0.00 0.62 -4.32 1.61 1.74 -1.26 -4.78 116.66 110.26 1wfv n ARG 86 Ca 0.00 0.17 -0.34 0.00 -0.77 0.00 0.00 57.85 56.91 1wfv n ARG 86 Cb 0.00 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 29.50 1wfv n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wfv s ARG 87 N -3.08 3.44 -0.04 5.56 0.52 -1.26 0.19 118.95 124.28 1wfv s ARG 87 Ca -0.02 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 1wfv s ARG 87 Cb 0.09 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1wfv s ARG 87 CO 0.81 0.04 -0.25 0.54 0.02 0.00 0.00 175.30 176.45 1wfv s VAL 88 N 0.84 2.04 -0.17 3.52 0.11 -0.79 -4.89 120.40 121.06 1wfv s VAL 88 Ca -0.02 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 57.93 1wfv s VAL 88 Cb -0.15 -1.70 0.05 0.00 -1.53 0.00 0.00 36.38 33.05 1wfv s VAL 88 CO 0.01 0.57 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.74 1wfv s ARG 89 N -0.42 1.08 0.17 1.54 3.52 -1.26 -2.83 118.95 120.75 1wfv s ARG 89 Ca 0.04 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.28 1wfv s ARG 89 Cb -0.11 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 1wfv s ARG 89 CO 0.01 -0.51 -0.21 -0.48 -0.81 0.00 0.00 175.30 173.30 1wfv s LEU 90 N 1.73 2.42 -0.44 -0.88 2.34 -1.22 0.20 118.68 122.83 1wfv s LEU 90 Ca -0.00 -0.84 -0.21 0.00 0.06 0.00 0.00 54.13 53.14 1wfv s LEU 90 Cb -0.16 -0.96 0.02 0.00 -0.56 0.00 0.00 46.19 44.54 1wfv s LEU 90 CO -0.07 0.03 0.67 -0.22 -1.06 0.00 0.00 176.35 175.70 1wfv s LEU 91 N -2.56 4.45 0.23 1.48 0.20 -0.12 -0.55 118.68 121.81 1wfv s LEU 91 Ca 0.16 -0.29 0.11 0.00 0.69 0.00 0.00 54.13 54.80 1wfv s LEU 91 Cb -0.07 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.87 1wfv s LEU 91 CO 0.07 -0.81 -0.18 -0.22 -0.29 0.00 0.00 176.35 174.93 1wfv s LEU 92 N 2.91 2.65 -0.17 -0.68 2.96 -0.18 -0.95 118.68 125.22 1wfv s LEU 92 Ca 0.24 -0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 1wfv s LEU 92 Cb -0.14 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1wfv s LEU 92 CO 0.20 0.08 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.76 1wfv s LYS 93 N -3.10 3.72 0.39 1.98 1.02 -1.09 -2.57 119.74 120.10 1wfv s LYS 93 Ca 0.26 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1wfv s LYS 93 Cb -0.07 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1wfv s LYS 93 CO 0.14 0.19 0.64 0.50 -0.92 0.00 0.00 175.35 175.89 1wfv s ARG 94 N 0.53 3.52 0.00 1.68 6.06 -1.25 -4.20 118.95 125.31 1wfv s ARG 94 Ca -0.01 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.13 1wfv s ARG 94 Cb -0.14 -2.55 0.00 0.00 0.06 0.00 0.00 34.95 32.32 1wfv s ARG 94 CO 0.02 0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.25 1wfv n GLY 95 N -1.88 1.36 0.21 8.12 0.00 -1.26 -4.43 105.19 107.31 1wfv n GLY 95 Ca -0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1wfv n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h THR 96 N 0.00 0.84 0.00 2.61 1.03 -1.97 -3.43 112.91 111.99 1wfv h THR 96 Ca 0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 1wfv h THR 96 Cb 0.00 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1wfv h THR 96 CO 0.00 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 176.41 1wfv n GLY 97 N -0.13 0.81 3.64 2.99 0.00 -1.26 -4.89 105.19 106.35 1wfv n GLY 97 Ca -0.01 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1wfv n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfv s SER 98 N -1.02 6.65 0.00 1.61 0.01 -1.25 -4.87 113.70 114.83 1wfv s SER 98 Ca 0.00 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1wfv s SER 98 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wfv s SER 98 CO 0.00 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.24 1wfv n GLY 99 N 4.19 3.67 3.57 3.44 0.00 -1.26 -4.91 105.19 113.90 1wfv n GLY 99 Ca 0.16 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1wfv n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfv s PRO 100 N 3.85 2.50 -0.15 1.61 0.04 -1.26 -4.54 135.00 137.05 1wfv s PRO 100 Ca 0.00 -0.96 -0.06 0.00 0.04 0.00 0.00 61.00 60.02 1wfv s PRO 100 Cb 0.00 -5.20 -0.07 0.00 0.04 0.00 0.00 34.50 29.27 1wfv s PRO 100 CO 0.00 -3.85 -0.18 0.43 0.04 0.00 0.00 177.00 173.44 1wfv n SER 101 N 14.31 1.38 -4.39 6.66 7.64 -1.26 -5.03 113.62 132.93 1wfv n SER 101 Ca 0.44 0.14 -0.45 0.00 1.01 0.00 0.00 58.87 60.01 1wfv n SER 101 Cb 0.47 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1wfv n SER 101 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfv n SER 102 N -3.54 -1.53 0.00 6.43 2.88 -1.26 -5.31 113.62 111.29 1wfv n SER 102 Ca -0.29 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1wfv n SER 102 Cb 0.72 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42