#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv h SER 2 N 0.00 -0.46 -3.30 1.61 0.87 -2.12 -3.36 113.55 106.79 1wfv h SER 2 Ca 0.00 0.21 -0.52 0.00 -1.23 0.00 0.00 61.79 60.25 1wfv h SER 2 Cb 0.00 0.39 -0.39 0.00 -0.44 0.00 0.00 62.40 61.96 1wfv h SER 2 CO 0.00 -0.21 -0.77 -0.55 -0.53 0.00 0.00 176.83 174.77 1wfv s SER 3 N -5.19 2.80 0.00 6.23 0.15 -1.26 -5.08 113.70 111.35 1wfv s SER 3 Ca -0.14 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1wfv s SER 3 Cb 0.23 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1wfv s SER 3 CO 0.75 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1wfv n GLY 4 N 5.01 -2.03 3.88 9.45 0.00 -1.26 -4.90 105.19 115.34 1wfv n GLY 4 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1wfv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfv s SER 5 N -1.89 5.90 0.60 1.61 0.01 -1.26 -5.09 113.70 113.57 1wfv s SER 5 Ca 0.00 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 1wfv s SER 5 Cb 0.00 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 1wfv s SER 5 CO 0.00 -0.01 1.14 -0.55 0.41 0.00 0.00 173.24 174.24 1wfv s SER 6 N -3.60 5.33 0.37 2.44 0.15 -1.26 -4.95 113.70 112.18 1wfv s SER 6 Ca 0.33 2.17 -0.27 0.00 0.70 0.00 0.00 55.95 58.88 1wfv s SER 6 Cb -0.09 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 1wfv s SER 6 CO 0.26 -1.49 1.26 0.61 1.20 0.00 0.00 173.24 175.09 1wfv n GLY 7 N 0.03 0.52 0.13 9.45 0.00 -1.26 -4.94 105.19 109.12 1wfv n GLY 7 Ca 0.12 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 1wfv n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wfv n GLN 8 N 0.38 0.65 -0.47 1.61 6.02 -1.26 -4.98 117.38 119.33 1wfv n GLN 8 Ca 0.06 0.30 -0.17 0.00 -0.01 0.00 0.00 57.00 57.18 1wfv n GLN 8 Cb 0.37 -1.62 0.15 0.00 1.02 0.00 0.00 30.24 30.16 1wfv n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wfv n ASP 9 N -3.80 -2.03 -3.16 1.08 9.92 -1.26 -5.04 116.55 112.25 1wfv n ASP 9 Ca -0.41 -0.77 -0.18 0.00 -0.53 0.00 0.00 54.79 52.89 1wfv n ASP 9 Cb 0.92 -0.56 0.14 0.00 -0.64 0.00 0.00 41.12 40.98 1wfv n ASP 9 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1wfv n PHE 10 N -4.02 -3.75 -1.55 1.24 3.01 -1.26 -4.86 117.46 106.26 1wfv n PHE 10 Ca 0.08 -0.66 -0.36 0.00 1.01 0.00 0.00 57.45 57.52 1wfv n PHE 10 Cb 0.33 -0.67 -0.03 0.00 -0.01 0.00 0.00 39.48 39.10 1wfv n PHE 10 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wfv n ASP 11 N -3.87 2.34 -4.57 4.37 8.00 -1.26 -4.85 116.55 116.70 1wfv n ASP 11 Ca 0.10 -0.48 -0.34 0.00 0.71 0.00 0.00 54.79 54.78 1wfv n ASP 11 Cb 0.36 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 39.84 1wfv n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wfv s TYR 12 N 12.11 2.22 0.05 1.24 2.02 -1.26 -4.34 117.35 129.39 1wfv s TYR 12 Ca 0.99 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.48 1wfv s TYR 12 Cb -0.19 -4.31 -0.04 0.00 -0.40 0.00 0.00 41.96 37.03 1wfv s TYR 12 CO 0.27 -1.57 0.02 -0.59 -1.57 0.00 0.00 175.55 172.10 1wfv s PHE 13 N 8.21 3.07 0.31 2.71 -0.12 -1.09 -4.99 117.98 126.08 1wfv s PHE 13 Ca 0.62 0.04 -0.05 0.00 -0.05 0.00 0.00 56.93 57.49 1wfv s PHE 13 Cb -0.01 -1.61 -0.05 0.00 -0.63 0.00 0.00 43.02 40.72 1wfv s PHE 13 CO 0.06 0.48 0.58 0.95 -0.05 0.00 0.00 175.22 177.24 1wfv s THR 14 N -1.24 5.00 -0.00 -4.49 -4.23 -1.26 -0.91 115.64 108.52 1wfv s THR 14 Ca 0.24 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1wfv s THR 14 Cb -0.12 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1wfv s THR 14 CO 0.16 -0.36 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.11 1wfv s VAL 15 N -2.13 3.54 -0.07 2.29 1.01 0.15 -4.85 120.40 120.34 1wfv s VAL 15 Ca 0.44 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1wfv s VAL 15 Cb -0.11 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1wfv s VAL 15 CO 0.31 0.41 -0.00 -0.62 0.00 0.00 0.00 175.10 175.19 1wfv s ASP 16 N -1.34 1.63 0.31 3.32 2.15 -1.26 -2.90 116.67 118.58 1wfv s ASP 16 Ca 0.16 -0.10 -0.13 0.00 0.43 0.00 0.00 52.55 52.91 1wfv s ASP 16 Cb -0.11 -0.47 0.02 0.00 -0.30 0.00 0.00 42.92 42.06 1wfv s ASP 16 CO 0.07 -0.19 0.61 -0.04 -0.17 0.00 0.00 175.17 175.44 1wfv s MET 17 N 1.95 1.86 0.46 4.34 -1.94 -1.07 -4.96 119.30 119.94 1wfv s MET 17 Ca 0.05 -1.37 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1wfv s MET 17 Cb -0.12 0.53 -0.04 0.00 2.01 0.00 0.00 34.83 37.21 1wfv s MET 17 CO -0.05 -0.82 0.04 -1.21 -0.01 0.00 0.00 175.02 172.97 1wfv s GLU 18 N -3.33 2.10 0.07 2.03 2.02 -1.26 -1.87 118.70 118.46 1wfv s GLU 18 Ca 0.20 -2.20 -0.12 0.00 0.02 0.00 0.00 54.97 52.86 1wfv s GLU 18 Cb -0.03 -1.65 -0.06 0.00 0.10 0.00 0.00 34.13 32.49 1wfv s GLU 18 CO 0.12 -0.22 0.44 0.21 0.02 0.00 0.00 175.26 175.82 1wfv s LYS 19 N -3.83 3.86 0.00 1.61 2.20 0.53 -4.51 119.74 119.60 1wfv s LYS 19 Ca 0.23 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1wfv s LYS 19 Cb 0.05 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1wfv s LYS 19 CO 0.12 0.58 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 1wfv n GLY 20 N 1.17 0.41 0.09 5.54 0.00 0.12 -4.91 105.19 107.60 1wfv n GLY 20 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1wfv n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv n ALA 21 N -3.00 0.73 -1.40 4.61 0.00 -1.26 -4.54 120.51 115.65 1wfv n ALA 21 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 53.44 52.66 1wfv n ALA 21 Cb 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 19.45 19.56 1wfv n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wfv n LYS 22 N -4.49 2.11 0.00 0.00 4.01 -1.26 -5.05 118.16 113.48 1wfv n LYS 22 Ca -0.20 -3.18 0.00 0.00 -0.51 0.00 0.00 58.31 54.42 1wfv n LYS 22 Cb 0.49 -2.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.01 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfv n GLY 23 N -1.11 0.29 1.62 0.72 0.00 -1.26 -4.74 105.19 100.71 1wfv n GLY 23 Ca 0.45 -2.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 0.64 0.00 -3.25 1.61 3.01 -1.26 0.13 117.46 118.34 1wfv n PHE 24 Ca 0.00 -1.03 -0.22 0.00 1.01 0.00 0.00 57.45 57.20 1wfv n PHE 24 Cb 0.00 -0.69 -0.05 0.00 -0.01 0.00 0.00 39.48 38.74 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 1.72 -0.19 3.37 1.37 0.00 -1.26 -3.86 105.19 106.34 1wfv n GLY 25 Ca 0.08 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.58 -0.58 0.28 1.61 -0.12 -1.26 0.52 117.98 115.85 1wfv s PHE 26 Ca 0.36 1.34 0.09 0.00 -0.05 0.00 0.00 56.93 58.67 1wfv s PHE 26 Cb -0.21 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1wfv s PHE 26 CO 0.56 -0.29 0.05 -1.12 -0.05 0.00 0.00 175.22 174.37 1wfv s SER 27 N 0.63 4.71 0.36 1.98 0.01 0.13 -4.98 113.70 116.54 1wfv s SER 27 Ca -0.03 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.67 1wfv s SER 27 Cb -0.05 -0.91 -0.07 0.00 0.21 0.00 0.00 66.02 65.21 1wfv s SER 27 CO -0.04 -0.06 0.04 0.27 0.41 0.00 0.00 173.24 173.86 1wfv s ILE 28 N -2.31 1.50 0.25 1.44 -4.36 -1.26 -0.93 121.20 115.51 1wfv s ILE 28 Ca 0.33 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.59 1wfv s ILE 28 Cb -0.06 -2.86 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1wfv s ILE 28 CO 0.21 0.00 0.47 0.00 0.24 0.00 0.00 174.94 175.86 1wfv s ARG 29 N -3.82 1.54 1.07 0.37 1.70 0.14 -4.27 118.95 115.67 1wfv s ARG 29 Ca 0.35 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 1wfv s ARG 29 Cb 0.09 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1wfv s ARG 29 CO 0.16 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1wfv n GLY 30 N -0.38 -1.78 0.00 3.88 0.00 -1.26 -1.61 105.19 104.04 1wfv n GLY 30 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.55 2.58 0.48 -0.02 0.00 0.59 -3.41 105.19 104.85 1wfv n GLY 31 Ca 0.00 -1.97 0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.77 1.61 2.47 -0.70 0.47 114.38 117.46 1wfv h ARG 32 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 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 0.40 1.49 0.56 0.00 0.00 179.97 182.42 1wfv h GLU 33 N 0.00 1.07 -0.41 0.04 4.81 -1.87 -2.53 114.58 115.69 1wfv h GLU 33 Ca 0.43 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1wfv h GLU 33 Cb 1.95 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1wfv h GLU 33 CO -0.00 0.80 0.00 0.66 -0.73 0.00 0.00 179.01 179.74 1wfv n TYR 34 N -4.34 0.79 -3.69 0.92 4.01 0.14 -4.97 117.16 110.02 1wfv n TYR 34 Ca 0.08 -0.61 -0.22 0.00 -0.16 0.00 0.00 57.90 56.99 1wfv n TYR 34 Cb 0.11 -0.13 0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.46 -5.22 -3.81 -0.72 4.76 0.01 -4.86 118.16 108.79 1wfv n LYS 35 Ca 0.17 0.65 -0.09 0.00 -2.87 0.00 0.00 58.31 56.16 1wfv n LYS 35 Cb 0.63 -5.30 -0.05 0.00 -1.84 0.00 0.00 35.03 28.48 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 -5.98 1.33 1.04 1.97 0.23 -0.90 -4.97 119.30 112.02 1wfv s MET 36 Ca 0.08 -0.96 -0.14 0.00 -1.03 0.00 0.00 55.69 53.64 1wfv s MET 36 Cb -0.04 0.48 0.21 0.00 -1.53 0.00 0.00 34.83 33.95 1wfv s MET 36 CO 0.80 -0.55 1.10 -0.51 -2.03 0.00 0.00 175.02 173.84 1wfv s ASP 37 N -2.90 2.30 -0.24 -1.18 1.11 -1.26 -0.30 116.67 114.19 1wfv s ASP 37 Ca 0.12 1.05 -0.14 0.00 0.18 0.00 0.00 52.55 53.76 1wfv s ASP 37 Cb 0.00 -1.63 -0.04 0.00 1.07 0.00 0.00 42.92 42.32 1wfv s ASP 37 CO -0.02 -3.32 0.32 -0.76 1.18 0.00 0.00 175.17 172.58 1wfv s LEU 38 N -6.54 4.09 0.32 1.23 1.43 -1.25 -2.92 118.68 115.03 1wfv s LEU 38 Ca 0.66 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 54.12 1wfv s LEU 38 Cb -0.17 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1wfv s LEU 38 CO 0.57 -0.09 -0.03 -0.31 0.23 0.00 0.00 176.35 176.73 1wfv s TYR 39 N 1.60 2.08 -0.41 0.29 1.51 -0.64 0.84 117.35 122.64 1wfv s TYR 39 Ca 0.14 -0.73 -0.29 0.00 -1.01 0.00 0.00 57.07 55.18 1wfv s TYR 39 Cb -0.15 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1wfv s TYR 39 CO 0.08 0.27 1.32 0.08 -1.11 0.00 0.00 175.55 176.20 1wfv s VAL 40 N -2.99 4.02 -0.00 0.71 1.01 -1.18 0.23 120.40 122.21 1wfv s VAL 40 Ca 0.32 1.07 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1wfv s VAL 40 Cb 0.06 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1wfv s VAL 40 CO 0.14 -0.77 0.87 0.25 0.00 0.00 0.00 175.10 175.59 1wfv h LEU 41 N 11.72 -0.51 -7.63 3.92 7.12 -1.22 -3.26 115.31 125.46 1wfv h LEU 41 Ca -0.26 0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.63 1wfv h LEU 41 Cb 1.09 0.13 -0.21 0.00 -0.53 0.00 0.00 40.66 41.14 1wfv h LEU 41 CO 1.09 -0.23 -0.42 -0.60 -0.13 0.00 0.00 178.44 178.15 1wfv s ARG 42 N -3.70 0.50 0.06 1.25 3.00 -1.24 -4.88 118.95 113.93 1wfv s ARG 42 Ca -0.09 -0.19 0.04 0.00 -1.00 0.00 0.00 55.73 54.49 1wfv s ARG 42 Cb 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 34.95 35.14 1wfv s ARG 42 CO 0.26 -0.12 -0.02 -0.51 0.00 0.00 0.00 175.30 174.91 1wfv s LEU 43 N -1.07 3.38 -0.31 -0.88 1.43 -1.26 0.19 118.68 120.16 1wfv s LEU 43 Ca -0.11 -0.16 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 1wfv s LEU 43 Cb -0.06 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1wfv s LEU 43 CO 0.02 0.22 0.86 0.00 0.23 0.00 0.00 176.35 177.68 1wfv s ALA 44 N -1.20 3.52 0.53 4.21 0.00 0.19 -4.91 121.76 124.10 1wfv s ALA 44 Ca 0.22 -0.34 0.27 0.00 0.00 0.00 0.00 51.96 52.11 1wfv s ALA 44 Cb -0.11 -3.39 1.61 0.00 0.00 0.00 0.00 23.12 21.23 1wfv s ALA 44 CO 0.14 -1.27 2.18 1.05 0.00 0.00 0.00 175.76 177.86 1wfv h GLU 45 N 8.11 0.00 -0.16 0.00 4.11 -1.99 -1.73 114.58 122.93 1wfv h GLU 45 Ca -0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.13 1wfv h GLU 45 Cb 1.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1wfv h GLU 45 CO 0.92 0.05 -0.19 -3.47 0.07 0.00 0.00 179.01 176.38 1wfv n ASP 46 N -3.90 2.37 -4.84 3.06 2.03 -1.26 -4.95 116.55 109.07 1wfv n ASP 46 Ca -0.03 -3.60 -0.24 0.00 0.52 0.00 0.00 54.79 51.44 1wfv n ASP 46 Cb 0.13 -0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.94 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 -2.76 2.28 0.29 0.27 0.00 -0.65 -5.04 107.32 101.72 1wfv s GLY 47 Ca 0.40 -1.77 0.07 0.00 0.00 0.00 0.00 44.72 43.42 1wfv s GLY 47 CO -0.01 -1.84 1.67 -0.56 0.00 0.00 0.00 173.10 172.36 1wfv h PRO 48 N 1.08 0.20 0.07 2.90 0.13 -1.85 -3.26 132.00 131.28 1wfv h PRO 48 Ca -0.41 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wfv h PRO 48 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wfv h PRO 48 CO 0.62 0.63 -0.04 0.00 -0.23 0.00 0.00 178.00 178.98 1wfv h ALA 49 N 1.36 -0.96 -0.45 -0.56 0.00 -1.79 0.82 119.26 117.68 1wfv h ALA 49 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1wfv h ALA 49 Cb 0.88 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1wfv h ALA 49 CO 0.07 -0.96 0.86 0.97 0.00 0.00 0.00 179.25 180.19 1wfv h ILE 50 N -0.10 0.07 0.06 0.00 2.10 -1.70 1.54 117.51 119.48 1wfv h ILE 50 Ca -0.01 0.00 -0.29 0.00 1.08 0.00 0.00 64.86 65.64 1wfv h ILE 50 Cb 0.08 0.24 -0.02 0.00 -1.09 0.00 0.00 36.82 36.02 1wfv h ILE 50 CO 0.01 0.00 -1.51 0.03 -1.08 0.00 0.00 178.15 175.60 1wfv h ARG 51 N 0.00 0.13 0.64 2.19 3.08 -1.46 -3.37 114.38 115.59 1wfv h ARG 51 Ca 0.22 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1wfv h ARG 51 Cb 1.94 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 1wfv h ARG 51 CO -0.00 0.92 -0.51 -0.97 -1.07 0.00 0.00 179.97 178.34 1wfv h ASN 52 N 0.03 -1.34 0.00 7.04 -1.24 0.47 -3.47 115.58 117.08 1wfv h ASN 52 Ca -0.22 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1wfv h ASN 52 Cb 1.97 0.42 0.00 0.00 0.73 0.00 0.00 38.32 41.44 1wfv h ASN 52 CO 0.13 -0.72 0.00 0.61 -1.29 0.00 0.00 177.43 176.16 1wfv n GLY 53 N -1.60 2.83 0.57 1.57 0.00 -1.15 -4.83 105.19 102.59 1wfv n GLY 53 Ca -0.13 -0.71 0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.00 -4.49 1.61 5.12 -1.26 -4.12 116.66 113.52 1wfv n ARG 54 Ca 0.00 0.87 -0.25 0.00 -1.93 0.00 0.00 57.85 56.55 1wfv n ARG 54 Cb 0.00 -2.01 -0.13 0.00 -1.16 0.00 0.00 32.46 29.15 1wfv n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wfv s MET 55 N -4.49 1.27 0.32 5.56 0.23 -1.26 -4.91 119.30 116.01 1wfv s MET 55 Ca -0.04 -1.03 0.07 0.00 -1.03 0.00 0.00 55.69 53.66 1wfv s MET 55 Cb 0.22 -1.44 -0.03 0.00 -1.53 0.00 0.00 34.83 32.05 1wfv s MET 55 CO 0.72 0.36 0.25 0.54 -2.03 0.00 0.00 175.02 174.85 1wfv n ARG 56 N 1.53 0.41 -2.95 3.16 3.00 -1.26 -4.83 116.66 115.73 1wfv n ARG 56 Ca -0.18 -3.12 -0.41 0.00 -0.01 0.00 0.00 57.85 54.12 1wfv n ARG 56 Cb 0.53 2.45 -0.05 0.00 0.00 0.00 0.00 32.46 35.39 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 -3.23 4.89 0.00 1.55 1.01 -1.26 -3.67 120.40 119.69 1wfv s VAL 57 Ca 0.35 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1wfv s VAL 57 Cb 0.02 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1wfv s VAL 57 CO 0.25 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1wfv n GLY 58 N 3.74 1.22 3.79 4.51 0.00 -1.23 -5.03 105.19 112.19 1wfv n GLY 58 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1wfv n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfv s ASP 59 N -1.98 4.15 -0.26 1.61 1.11 -1.24 -4.87 116.67 115.19 1wfv s ASP 59 Ca 0.00 1.22 -0.03 0.00 0.18 0.00 0.00 52.55 53.93 1wfv s ASP 59 Cb 0.00 -1.91 0.02 0.00 1.07 0.00 0.00 42.92 42.10 1wfv s ASP 59 CO 0.00 -2.18 -0.03 -1.58 1.18 0.00 0.00 175.17 172.56 1wfv s GLN 60 N -5.17 2.93 -0.24 8.23 -0.44 -1.26 -3.08 119.66 120.64 1wfv s GLN 60 Ca 0.62 -0.92 -0.28 0.00 -2.50 0.00 0.00 55.36 52.27 1wfv s GLN 60 Cb -0.15 -3.06 0.01 0.00 -1.64 0.00 0.00 33.01 28.16 1wfv s GLN 60 CO 0.54 -0.39 0.99 0.42 0.50 0.00 0.00 175.29 177.35 1wfv s ILE 61 N 1.37 4.71 -0.13 -2.34 1.01 0.25 -3.87 121.20 122.19 1wfv s ILE 61 Ca 0.01 1.92 0.17 0.00 0.00 0.00 0.00 60.65 62.75 1wfv s ILE 61 Cb -0.17 -4.27 -0.24 0.00 0.01 0.00 0.00 42.46 37.80 1wfv s ILE 61 CO -0.03 -0.17 0.38 2.30 0.00 0.00 0.00 174.94 177.42 1wfv n ILE 62 N 5.32 1.24 -4.15 2.92 -0.00 -0.68 -3.95 119.36 120.06 1wfv n ILE 62 Ca 0.11 -0.77 -0.13 0.00 -0.00 0.00 0.00 62.75 61.95 1wfv n ILE 62 Cb 0.46 -0.58 -0.11 0.00 -0.00 0.00 0.00 39.64 39.41 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 -2.71 0.78 -0.09 6.28 2.12 -1.18 -2.93 118.70 120.97 1wfv s GLU 63 Ca -0.07 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.11 1wfv s GLU 63 Cb 0.08 -0.43 0.05 0.00 0.26 0.00 0.00 34.13 34.09 1wfv s GLU 63 CO 0.83 0.06 0.16 0.42 -0.54 0.00 0.00 175.26 176.19 1wfv s ILE 64 N -2.44 -0.25 -1.27 -3.70 1.01 -0.95 -1.72 121.20 111.88 1wfv s ILE 64 Ca 0.04 0.32 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 1wfv s ILE 64 Cb -0.03 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.13 1wfv s ILE 64 CO -0.01 0.12 0.03 0.59 0.00 0.00 0.00 174.94 175.68 1wfv n ASN 65 N 5.32 -4.51 -0.92 3.58 3.02 0.11 -0.67 115.26 121.20 1wfv n ASN 65 Ca -0.05 0.10 -0.06 0.00 -0.03 0.00 0.00 54.58 54.54 1wfv n ASN 65 Cb 0.50 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 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 -0.89 0.23 2.91 7.41 0.00 -1.23 -4.98 105.19 108.64 1wfv n GLY 66 Ca -0.17 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.63 1.10 0.01 1.61 0.41 0.16 -5.11 118.70 112.25 1wfv s GLU 67 Ca 0.05 -0.18 -0.36 0.00 -0.41 0.00 0.00 54.97 54.07 1wfv s GLU 67 Cb -0.02 -1.07 -0.15 0.00 -1.78 0.00 0.00 34.13 31.11 1wfv s GLU 67 CO 0.06 -0.09 1.56 0.43 -0.49 0.00 0.00 175.26 176.73 1wfv n SER 68 N 4.19 2.44 -2.89 -0.19 7.64 -1.26 -2.23 113.62 121.33 1wfv n SER 68 Ca -0.21 1.08 -0.39 0.00 1.01 0.00 0.00 58.87 60.36 1wfv n SER 68 Cb 0.51 -1.27 0.04 0.00 -1.01 0.00 0.00 64.21 62.47 1wfv n SER 68 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wfv n THR 69 N 3.55 3.50 -0.10 0.44 -2.24 -1.15 -4.47 114.28 113.81 1wfv n THR 69 Ca 0.20 -4.35 -0.14 0.00 -2.27 0.00 0.00 64.05 57.49 1wfv n THR 69 Cb 0.22 -1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 1wfv n THR 69 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1wfv n ARG 70 N -0.54 0.55 -2.27 -0.78 0.63 -1.26 -4.64 116.66 108.36 1wfv n ARG 70 Ca 0.53 0.11 -0.29 0.00 -0.92 0.00 0.00 57.85 57.28 1wfv n ARG 70 Cb 0.26 -1.41 0.01 0.00 0.45 0.00 0.00 32.46 31.77 1wfv n ARG 70 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1wfv n ASP 71 N -3.08 5.29 -4.20 6.15 5.75 -1.26 -4.84 116.55 120.35 1wfv n ASP 71 Ca -0.36 -3.75 -0.21 0.00 -0.01 0.00 0.00 54.79 50.46 1wfv n ASP 71 Cb 0.90 -0.55 -0.13 0.00 -1.03 0.00 0.00 41.12 40.31 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1wfv s MET 72 N -3.64 0.99 0.11 0.11 -1.94 -1.26 -5.01 119.30 108.66 1wfv s MET 72 Ca 0.50 -0.96 0.02 0.00 -1.71 0.00 0.00 55.69 53.54 1wfv s MET 72 Cb 0.41 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 1wfv s MET 72 CO -0.18 0.26 0.22 0.95 -0.01 0.00 0.00 175.02 176.25 1wfv s THR 73 N -1.08 5.17 0.41 2.05 -4.23 -1.26 -0.22 115.64 116.48 1wfv s THR 73 Ca 0.02 -0.62 0.28 0.00 -1.18 0.00 0.00 61.69 60.19 1wfv s THR 73 Cb -0.09 -3.59 0.44 0.00 1.34 0.00 0.00 72.50 70.60 1wfv s THR 73 CO 0.02 0.02 1.56 1.57 -0.54 0.00 0.00 174.62 177.26 1wfv n HIS 74 N -0.08 0.88 -0.05 3.99 -0.00 -1.22 0.11 115.22 118.85 1wfv n HIS 74 Ca -0.07 0.89 -0.10 0.00 0.46 0.00 0.00 57.72 58.90 1wfv n HIS 74 Cb 0.53 -1.31 -0.04 0.00 -0.12 0.00 0.00 29.99 29.04 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 1.75 0.26 0.15 1.57 0.00 -1.93 -2.42 119.26 118.63 1wfv h ALA 75 Ca 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.71 1wfv h ALA 75 Cb 2.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 20.29 1wfv h ALA 75 CO -0.58 -0.20 -0.28 -0.09 0.00 0.00 0.00 179.25 178.10 1wfv h ARG 76 N 0.21 -0.45 -1.08 0.00 9.65 0.45 -1.39 114.38 121.77 1wfv h ARG 76 Ca 0.07 0.03 0.31 0.00 -1.10 0.00 0.00 59.98 59.29 1wfv h ARG 76 Cb 0.09 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 28.66 1wfv h ARG 76 CO -0.01 -0.30 0.67 0.00 2.80 0.00 0.00 179.97 183.13 1wfv h ALA 77 N -1.12 2.20 -0.11 2.80 0.00 -1.54 0.94 119.26 122.44 1wfv h ALA 77 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1wfv h ALA 77 Cb 0.44 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wfv h ALA 77 CO -0.11 -0.70 -0.18 0.82 0.00 0.00 0.00 179.25 179.08 1wfv h ILE 78 N 0.35 1.19 0.00 0.00 1.08 -0.80 -2.41 117.51 116.92 1wfv h ILE 78 Ca 0.67 -0.85 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1wfv h ILE 78 Cb 1.69 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 1wfv h ILE 78 CO -0.41 0.26 -1.04 1.05 -0.69 0.00 0.00 178.15 177.32 1wfv h GLU 79 N 0.16 0.00 -0.34 2.37 4.11 0.18 -3.35 114.58 117.71 1wfv h GLU 79 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.34 1wfv h GLU 79 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1wfv h GLU 79 CO 0.03 0.21 -0.25 -0.07 0.07 0.00 0.00 179.01 179.00 1wfv h LEU 80 N 0.00 0.82 -1.67 3.06 3.38 -0.21 0.88 115.31 121.57 1wfv h LEU 80 Ca -0.08 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1wfv h LEU 80 Cb 1.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1wfv h LEU 80 CO 0.03 1.08 0.10 0.40 0.09 0.00 0.00 178.44 180.14 1wfv h ILE 81 N 0.56 1.09 0.00 1.22 2.04 -1.58 -2.03 117.51 118.81 1wfv h ILE 81 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1wfv h ILE 81 Cb 0.82 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1wfv h ILE 81 CO 0.07 0.11 -1.49 2.29 0.00 0.00 0.00 178.15 179.13 1wfv n LYS 82 N -4.45 0.45 -0.00 2.37 2.85 -1.13 -4.18 118.16 114.07 1wfv n LYS 82 Ca 0.00 -0.08 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 1wfv n LYS 82 Cb 0.12 -1.57 0.02 0.00 -0.65 0.00 0.00 35.03 32.96 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 0.67 -0.07 -5.58 0.87 0.15 -3.27 113.55 106.32 1wfv h SER 83 Ca 0.00 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1wfv h SER 83 Cb 0.85 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wfv h SER 83 CO 0.00 1.12 -0.04 1.23 -0.53 0.00 0.00 176.83 178.61 1wfv h GLY 84 N 1.00 0.16 0.00 5.77 0.00 -1.58 -3.50 103.07 104.92 1wfv h GLY 84 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1wfv h GLY 84 CO 0.12 0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1wfv n GLY 85 N 0.03 0.43 0.04 4.60 0.00 -1.24 -4.83 105.19 104.22 1wfv n GLY 85 Ca -0.07 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.36 -4.27 1.61 1.74 -1.26 -4.71 116.66 110.13 1wfv n ARG 86 Ca 0.00 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1wfv n ARG 86 Cb 0.00 -1.61 -0.14 0.00 -1.02 0.00 0.00 32.46 29.69 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 -3.25 3.36 0.08 5.56 0.52 -1.26 0.20 118.95 124.16 1wfv s ARG 87 Ca 0.02 -0.66 0.09 0.00 -0.52 0.00 0.00 55.73 54.66 1wfv s ARG 87 Cb 0.14 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 1wfv s ARG 87 CO 0.82 -0.03 -0.24 0.54 0.02 0.00 0.00 175.30 176.41 1wfv s VAL 88 N 0.99 1.94 -0.16 3.52 0.11 -0.78 -4.86 120.40 121.17 1wfv s VAL 88 Ca -0.01 -1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 57.54 1wfv s VAL 88 Cb -0.15 -1.70 0.06 0.00 -1.53 0.00 0.00 36.38 33.06 1wfv s VAL 88 CO -0.01 0.16 0.12 -0.60 -3.33 0.00 0.00 175.10 171.44 1wfv s ARG 89 N -1.56 0.07 0.08 1.54 3.52 -1.26 -2.59 118.95 118.74 1wfv s ARG 89 Ca 0.10 0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.85 1wfv s ARG 89 Cb -0.10 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 1wfv s ARG 89 CO 0.03 -0.60 -0.20 -0.48 -0.81 0.00 0.00 175.30 173.24 1wfv s LEU 90 N 2.19 2.24 -0.23 -0.88 2.34 -1.14 0.09 118.68 123.29 1wfv s LEU 90 Ca 0.03 -0.61 -0.24 0.00 0.06 0.00 0.00 54.13 53.38 1wfv s LEU 90 Cb -0.15 -0.87 -0.01 0.00 -0.56 0.00 0.00 46.19 44.60 1wfv s LEU 90 CO -0.09 0.08 0.79 -0.22 -1.06 0.00 0.00 176.35 175.86 1wfv s LEU 91 N -1.59 4.10 0.13 1.48 0.20 -0.70 0.31 118.68 122.61 1wfv s LEU 91 Ca 0.06 1.01 0.05 0.00 0.69 0.00 0.00 54.13 55.94 1wfv s LEU 91 Cb -0.09 -3.14 -0.04 0.00 -0.43 0.00 0.00 46.19 42.49 1wfv s LEU 91 CO 0.03 -0.47 -0.12 -0.22 -0.29 0.00 0.00 176.35 175.28 1wfv s LEU 92 N 2.64 2.45 -0.05 -0.68 2.96 -0.09 -1.69 118.68 124.23 1wfv s LEU 92 Ca 0.34 -0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1wfv s LEU 92 Cb -0.16 -0.46 0.03 0.00 0.50 0.00 0.00 46.19 46.11 1wfv s LEU 92 CO 0.08 -0.22 0.09 -1.59 -1.32 0.00 0.00 176.35 173.40 1wfv s LYS 93 N -3.06 0.02 0.18 1.98 -2.85 -1.25 -2.66 119.74 112.10 1wfv s LYS 93 Ca 0.11 0.30 -0.23 0.00 -1.00 0.00 0.00 55.97 55.16 1wfv s LYS 93 Cb -0.02 -0.23 -0.08 0.00 -2.06 0.00 0.00 37.83 35.44 1wfv s LYS 93 CO 0.02 -0.18 0.75 0.50 0.10 0.00 0.00 175.35 176.53 1wfv s ARG 94 N 1.24 4.45 -1.52 1.78 3.00 -1.26 -4.12 118.95 122.51 1wfv s ARG 94 Ca -0.08 1.04 -0.12 0.00 -1.00 0.00 0.00 55.73 55.57 1wfv s ARG 94 Cb -0.12 -3.14 -0.01 0.00 0.00 0.00 0.00 34.95 31.68 1wfv s ARG 94 CO -0.05 0.52 2.53 0.41 0.00 0.00 0.00 175.30 178.72 1wfv n GLY 95 N 1.34 4.38 0.00 8.12 0.00 -1.26 -4.34 105.19 113.44 1wfv n GLY 95 Ca -0.05 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.47 1wfv n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wfv n THR 96 N 4.34 0.00 0.00 2.61 5.66 -1.26 -5.02 114.28 120.62 1wfv n THR 96 Ca 0.63 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 61.37 1wfv n THR 96 Cb 0.32 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1wfv n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wfv n GLY 97 N 1.47 1.53 3.63 1.09 0.00 -1.26 -4.75 105.19 106.90 1wfv n GLY 97 Ca -0.00 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfv n SER 98 N 3.21 3.28 0.00 1.61 3.41 -1.26 -4.86 113.62 119.01 1wfv n SER 98 Ca 0.00 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.46 1wfv n SER 98 Cb 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfv n GLY 99 N -1.11 -3.00 3.62 5.00 0.00 -1.26 -4.55 105.19 103.89 1wfv n GLY 99 Ca -0.17 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.96 3.73 0.16 1.61 0.04 -1.26 -5.00 135.00 133.31 1wfv s PRO 100 Ca 0.00 1.60 0.10 0.00 0.04 0.00 0.00 61.00 62.74 1wfv s PRO 100 Cb 0.00 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1wfv s PRO 100 CO 0.00 -1.37 -0.21 -1.12 0.04 0.00 0.00 177.00 174.34 1wfv s SER 101 N 4.43 3.64 -1.33 6.66 0.01 -1.26 -4.71 113.70 121.14 1wfv s SER 101 Ca 0.72 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 1wfv s SER 101 Cb -0.24 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.62 1wfv s SER 101 CO 0.30 0.14 0.95 -0.24 0.41 0.00 0.00 173.24 174.80 1wfv n SER 102 N 0.50 -3.29 -0.88 2.44 2.88 -1.26 -5.20 113.62 108.81 1wfv n SER 102 Ca -0.14 -0.69 0.11 0.00 -1.33 0.00 0.00 58.87 56.82 1wfv n SER 102 Cb 0.54 -4.56 0.09 0.00 -0.75 0.00 0.00 64.21 59.54 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42