#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 3.84 -0.56 1.61 0.01 -1.26 -4.97 113.70 112.37 1wfv s SER 2 Ca 0.00 -2.59 -0.02 0.00 1.31 0.00 0.00 55.95 54.65 1wfv s SER 2 Cb 0.00 -1.15 0.33 0.00 0.21 0.00 0.00 66.02 65.41 1wfv s SER 2 CO 0.00 -0.28 2.10 -1.20 0.41 0.00 0.00 173.24 174.27 1wfv n SER 3 N 3.61 7.19 -2.73 2.44 7.64 -1.26 -4.47 113.62 126.04 1wfv n SER 3 Ca 0.07 -3.51 -0.08 0.00 1.01 0.00 0.00 58.87 56.36 1wfv n SER 3 Cb 0.35 -1.04 0.08 0.00 -1.01 0.00 0.00 64.21 62.59 1wfv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfv n GLY 4 N -0.31 0.01 0.31 0.23 0.00 -1.26 -5.01 105.19 99.16 1wfv n GLY 4 Ca 0.50 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.87 1wfv n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wfv h SER 5 N 3.27 -0.09 -2.96 1.61 4.64 -2.04 -3.15 113.55 114.83 1wfv h SER 5 Ca -0.15 0.20 -0.61 0.00 -0.47 0.00 0.00 61.79 60.77 1wfv h SER 5 Cb 1.10 0.30 -0.40 0.00 -0.31 0.00 0.00 62.40 63.08 1wfv h SER 5 CO 0.16 -0.18 -0.74 -0.44 -0.87 0.00 0.00 176.83 174.76 1wfv s SER 6 N -5.09 3.44 0.00 4.97 0.01 -1.26 -4.83 113.70 110.93 1wfv s SER 6 Ca -0.12 -3.33 0.00 0.00 1.31 0.00 0.00 55.95 53.81 1wfv s SER 6 Cb 0.26 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1wfv s SER 6 CO 0.77 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.88 1wfv n GLY 7 N 2.60 0.04 3.33 3.44 0.00 -1.19 -4.99 105.19 108.42 1wfv n GLY 7 Ca 0.21 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.00 4.00 0.21 1.61 1.11 -1.26 -5.02 119.66 119.31 1wfv s GLN 8 Ca 0.00 -3.00 0.03 0.00 0.01 0.00 0.00 55.36 52.39 1wfv s GLN 8 Cb 0.00 -4.50 0.03 0.00 -1.01 0.00 0.00 33.01 27.53 1wfv s GLN 8 CO 0.00 -1.26 0.22 -0.25 0.01 0.00 0.00 175.29 174.02 1wfv n ASP 9 N 3.06 1.22 -1.71 5.90 9.92 -1.26 -4.97 116.55 128.70 1wfv n ASP 9 Ca 0.21 -1.64 -0.04 0.00 -0.53 0.00 0.00 54.79 52.79 1wfv n ASP 9 Cb 0.41 -0.09 -0.06 0.00 -0.64 0.00 0.00 41.12 40.75 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 -1.22 0.00 -2.26 1.24 3.01 -1.26 -4.58 117.46 112.39 1wfv n PHE 10 Ca 0.03 -1.12 -0.05 0.00 1.01 0.00 0.00 57.45 57.32 1wfv n PHE 10 Cb 0.23 -0.87 0.03 0.00 -0.01 0.00 0.00 39.48 38.85 1wfv n PHE 10 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wfv n ASP 11 N 1.89 -2.68 -4.51 4.37 -0.08 -1.26 -3.71 116.55 110.57 1wfv n ASP 11 Ca 0.15 -0.21 -0.18 0.00 -1.51 0.00 0.00 54.79 53.04 1wfv n ASP 11 Cb 0.62 -1.95 -0.16 0.00 2.34 0.00 0.00 41.12 41.97 1wfv n ASP 11 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1wfv n TYR 12 N -2.00 0.46 -4.14 -0.67 4.02 -1.26 -4.68 117.16 108.90 1wfv n TYR 12 Ca -0.06 -0.01 -0.26 0.00 -0.01 0.00 0.00 57.90 57.56 1wfv n TYR 12 Cb 0.55 -1.34 -0.06 0.00 -0.02 0.00 0.00 39.34 38.46 1wfv n TYR 12 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1wfv s PHE 13 N 5.96 3.02 0.37 -0.72 -0.12 -1.04 -4.95 117.98 120.49 1wfv s PHE 13 Ca 1.14 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.96 1wfv s PHE 13 Cb -0.55 -1.45 -0.02 0.00 -0.63 0.00 0.00 43.02 40.38 1wfv s PHE 13 CO 0.37 0.52 0.55 0.95 -0.05 0.00 0.00 175.22 177.56 1wfv s THR 14 N -1.78 4.56 0.05 -4.49 -4.23 -1.26 -0.19 115.64 108.30 1wfv s THR 14 Ca 0.30 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1wfv s THR 14 Cb -0.10 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1wfv s THR 14 CO 0.22 -0.38 -0.26 -0.69 -0.54 0.00 0.00 174.62 172.96 1wfv s VAL 15 N -2.33 2.18 -0.14 2.29 1.01 0.11 -4.83 120.40 118.69 1wfv s VAL 15 Ca 0.43 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1wfv s VAL 15 Cb -0.10 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1wfv s VAL 15 CO 0.35 0.35 0.03 -0.62 0.00 0.00 0.00 175.10 175.21 1wfv s ASP 16 N -1.28 2.28 0.21 3.32 2.15 -1.26 -3.26 116.67 118.82 1wfv s ASP 16 Ca 0.12 -0.48 -0.09 0.00 0.43 0.00 0.00 52.55 52.53 1wfv s ASP 16 Cb -0.10 -0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 42.01 1wfv s ASP 16 CO 0.02 -0.26 0.33 -0.04 -0.17 0.00 0.00 175.17 175.05 1wfv s MET 17 N 1.94 1.33 0.41 4.34 -1.94 -1.14 -4.99 119.30 119.25 1wfv s MET 17 Ca 0.02 -1.32 0.07 0.00 -1.71 0.00 0.00 55.69 52.75 1wfv s MET 17 Cb -0.15 0.39 -0.07 0.00 2.01 0.00 0.00 34.83 37.01 1wfv s MET 17 CO -0.07 -0.51 0.08 -1.21 -0.01 0.00 0.00 175.02 173.31 1wfv s GLU 18 N -4.04 2.07 0.30 2.03 2.02 -1.26 -2.04 118.70 117.79 1wfv s GLU 18 Ca 0.25 -2.00 -0.21 0.00 0.02 0.00 0.00 54.97 53.03 1wfv s GLU 18 Cb 0.03 -1.78 -0.09 0.00 0.10 0.00 0.00 34.13 32.38 1wfv s GLU 18 CO 0.07 -0.08 0.82 0.21 0.02 0.00 0.00 175.26 176.30 1wfv s LYS 19 N -3.79 4.29 0.00 1.61 2.20 0.54 -4.45 119.74 120.14 1wfv s LYS 19 Ca 0.38 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1wfv s LYS 19 Cb 0.07 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1wfv s LYS 19 CO 0.20 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 1wfv n GLY 20 N 0.23 2.27 0.08 5.54 0.00 0.87 -4.86 105.19 109.32 1wfv n GLY 20 Ca 0.02 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.41 -0.00 -0.34 4.61 0.00 -1.98 -3.35 119.26 117.79 1wfv h ALA 21 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1wfv h ALA 21 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 1wfv h ALA 21 CO 0.00 0.01 -0.08 1.17 0.00 0.00 0.00 179.25 180.36 1wfv n LYS 22 N -4.58 1.91 0.00 0.00 3.00 -1.26 -5.07 118.16 112.16 1wfv n LYS 22 Ca -0.10 -3.16 0.00 0.00 -0.00 0.00 0.00 58.31 55.05 1wfv n LYS 22 Cb 0.48 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.70 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfv n GLY 23 N -1.08 -0.02 0.19 3.14 0.00 -1.26 -4.65 105.19 101.51 1wfv n GLY 23 Ca 0.32 -2.29 0.12 0.00 0.00 0.00 0.00 46.02 44.18 1wfv n GLY 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wfv h PHE 24 N 0.00 0.00 -1.47 1.61 0.04 -1.89 0.25 116.94 115.47 1wfv h PHE 24 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1wfv h PHE 24 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1wfv h PHE 24 CO 0.00 0.00 -0.06 0.41 -0.60 0.00 0.00 178.31 178.06 1wfv n GLY 25 N -1.27 0.80 3.37 -1.45 0.00 -1.26 -1.00 105.19 104.37 1wfv n GLY 25 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.03 -0.58 0.23 1.61 -0.12 -1.26 -0.50 117.98 114.34 1wfv s PHE 26 Ca 0.04 1.34 0.08 0.00 -0.05 0.00 0.00 56.93 58.34 1wfv s PHE 26 Cb -0.02 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1wfv s PHE 26 CO 0.06 -0.29 0.03 0.45 -0.05 0.00 0.00 175.22 175.42 1wfv s SER 27 N 0.59 4.79 0.38 1.98 0.15 0.18 -5.00 113.70 116.77 1wfv s SER 27 Ca -0.03 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.19 1wfv s SER 27 Cb -0.05 -1.00 -0.07 0.00 -1.71 0.00 0.00 66.02 63.19 1wfv s SER 27 CO -0.04 0.02 0.03 0.27 1.20 0.00 0.00 173.24 174.73 1wfv s ILE 28 N -2.10 1.68 0.18 6.45 -4.36 -1.26 -0.68 121.20 121.10 1wfv s ILE 28 Ca 0.30 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.57 1wfv s ILE 28 Cb -0.08 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1wfv s ILE 28 CO 0.20 0.00 0.37 0.00 0.24 0.00 0.00 174.94 175.76 1wfv s ARG 29 N -3.78 1.25 1.33 0.37 1.70 0.20 -4.25 118.95 115.77 1wfv s ARG 29 Ca 0.35 -1.08 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 1wfv s ARG 29 Cb 0.09 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 1wfv s ARG 29 CO 0.17 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.31 1wfv n GLY 30 N -0.27 -1.83 0.00 3.88 0.00 -1.26 -0.95 105.19 104.76 1wfv n GLY 30 Ca -0.08 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 3.05 0.48 -0.02 0.00 -0.39 -3.61 105.19 104.69 1wfv n GLY 31 Ca 0.00 -1.93 0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 0.17 -1.01 1.61 2.47 -0.45 0.60 114.38 117.78 1wfv h ARG 32 Ca 0.00 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1wfv h ARG 32 Cb 0.00 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.21 1wfv h ARG 32 CO 0.00 0.11 0.65 1.49 0.56 0.00 0.00 179.97 182.78 1wfv h GLU 33 N 0.18 1.09 -0.47 0.04 4.57 -1.88 -0.97 114.58 117.13 1wfv h GLU 33 Ca 0.70 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 1wfv h GLU 33 Cb 2.21 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 1wfv h GLU 33 CO -0.26 0.72 0.00 0.66 -1.18 0.00 0.00 179.01 178.95 1wfv n TYR 34 N -4.54 1.46 -3.95 0.92 4.01 0.20 -4.95 117.16 110.32 1wfv n TYR 34 Ca 0.17 -0.74 -0.27 0.00 -0.16 0.00 0.00 57.90 56.90 1wfv n TYR 34 Cb 0.24 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.35 -3.90 -4.00 -0.72 4.76 -0.37 -4.84 118.16 109.44 1wfv n LYS 35 Ca 0.24 0.47 -0.09 0.00 -2.87 0.00 0.00 58.31 56.06 1wfv n LYS 35 Cb 0.98 -4.89 -0.05 0.00 -1.84 0.00 0.00 35.03 29.23 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 -6.52 1.53 0.88 1.97 0.23 -0.94 -4.98 119.30 111.47 1wfv s MET 36 Ca 0.22 -1.26 -0.13 0.00 -1.03 0.00 0.00 55.69 53.50 1wfv s MET 36 Cb -0.12 0.46 0.12 0.00 -1.53 0.00 0.00 34.83 33.77 1wfv s MET 36 CO 0.87 -0.63 1.17 -0.51 -2.03 0.00 0.00 175.02 173.89 1wfv s ASP 37 N -3.02 3.85 -0.23 -1.18 1.01 -1.26 -1.26 116.67 114.58 1wfv s ASP 37 Ca 0.23 0.84 -0.16 0.00 0.71 0.00 0.00 52.55 54.17 1wfv s ASP 37 Cb -0.00 -1.34 -0.04 0.00 1.01 0.00 0.00 42.92 42.55 1wfv s ASP 37 CO 0.09 -2.32 0.41 -0.76 0.21 0.00 0.00 175.17 172.80 1wfv s LEU 38 N -5.85 4.10 0.35 1.23 1.43 -1.25 -2.83 118.68 115.86 1wfv s LEU 38 Ca 0.64 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 54.25 1wfv s LEU 38 Cb -0.12 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.51 1wfv s LEU 38 CO 0.51 -0.15 -0.01 -0.31 0.23 0.00 0.00 176.35 176.62 1wfv s TYR 39 N 1.75 2.27 -0.65 0.29 1.51 -0.13 0.47 117.35 122.86 1wfv s TYR 39 Ca 0.18 -0.71 -0.27 0.00 -1.01 0.00 0.00 57.07 55.27 1wfv s TYR 39 Cb -0.15 -1.47 0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1wfv s TYR 39 CO 0.09 0.35 1.18 0.08 -1.11 0.00 0.00 175.55 176.14 1wfv s VAL 40 N -2.88 3.96 0.05 0.71 1.01 -1.19 0.62 120.40 122.68 1wfv s VAL 40 Ca 0.34 0.52 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 1wfv s VAL 40 Cb 0.07 -4.78 -0.11 0.00 0.00 0.00 0.00 36.38 31.56 1wfv s VAL 40 CO 0.16 -1.55 1.35 0.25 0.00 0.00 0.00 175.10 175.32 1wfv h LEU 41 N 12.24 -0.87 -7.31 3.92 7.12 -1.08 -2.65 115.31 126.67 1wfv h LEU 41 Ca -0.27 0.07 -0.09 0.00 0.13 0.00 0.00 57.88 57.72 1wfv h LEU 41 Cb 1.06 0.28 -0.19 0.00 -0.53 0.00 0.00 40.66 41.28 1wfv h LEU 41 CO 1.21 -0.43 -0.08 -0.60 -0.13 0.00 0.00 178.44 178.42 1wfv s ARG 42 N -4.79 0.87 0.03 1.25 3.00 -1.23 -4.74 118.95 113.33 1wfv s ARG 42 Ca -0.11 -0.11 0.01 0.00 -1.00 0.00 0.00 55.73 54.51 1wfv s ARG 42 Cb 0.03 0.39 -0.04 0.00 0.00 0.00 0.00 34.95 35.33 1wfv s ARG 42 CO 0.38 -0.27 0.10 -0.51 0.00 0.00 0.00 175.30 174.99 1wfv s LEU 43 N -1.50 3.93 -0.28 -0.88 1.43 -1.26 -0.65 118.68 119.48 1wfv s LEU 43 Ca -0.10 0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1wfv s LEU 43 Cb -0.02 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 1wfv s LEU 43 CO 0.04 0.23 0.83 0.00 0.23 0.00 0.00 176.35 177.68 1wfv s ALA 44 N -1.29 3.59 0.58 4.21 0.00 0.34 -4.91 121.76 124.28 1wfv s ALA 44 Ca 0.26 -0.25 0.41 0.00 0.00 0.00 0.00 51.96 52.38 1wfv s ALA 44 Cb -0.12 -3.33 2.21 0.00 0.00 0.00 0.00 23.12 21.88 1wfv s ALA 44 CO 0.18 -1.09 2.30 1.05 0.00 0.00 0.00 175.76 178.20 1wfv h GLU 45 N 7.90 0.00 -0.30 0.00 4.11 -1.98 -1.37 114.58 122.94 1wfv h GLU 45 Ca -0.23 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.01 1wfv h GLU 45 Cb 1.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 1wfv h GLU 45 CO 0.89 0.01 -0.32 -3.47 0.07 0.00 0.00 179.01 176.19 1wfv n ASP 46 N -3.18 2.70 -4.49 3.06 2.03 -1.26 -4.99 116.55 110.41 1wfv n ASP 46 Ca -0.02 -3.84 -0.24 0.00 0.52 0.00 0.00 54.79 51.21 1wfv n ASP 46 Cb 0.11 -0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.84 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 -2.94 2.01 0.48 0.27 0.00 -0.52 -4.90 107.32 101.73 1wfv s GLY 47 Ca 0.44 -1.99 0.26 0.00 0.00 0.00 0.00 44.72 43.43 1wfv s GLY 47 CO -0.02 -1.94 1.90 -0.56 0.00 0.00 0.00 173.10 172.48 1wfv h PRO 48 N 2.15 0.00 0.37 2.90 0.13 -1.83 -3.22 132.00 132.50 1wfv h PRO 48 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1wfv h PRO 48 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wfv h PRO 48 CO 0.68 0.17 -0.18 0.00 -0.23 0.00 0.00 178.00 178.45 1wfv h ALA 49 N 1.83 -0.49 0.00 -0.56 0.00 -1.27 -0.54 119.26 118.22 1wfv h ALA 49 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wfv h ALA 49 Cb 0.62 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wfv h ALA 49 CO 0.02 -0.64 0.08 0.97 0.00 0.00 0.00 179.25 179.69 1wfv h ILE 50 N -0.77 0.00 0.00 0.00 2.10 -1.70 0.22 117.51 117.35 1wfv h ILE 50 Ca -0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1wfv h ILE 50 Cb 0.52 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1wfv h ILE 50 CO 0.08 0.00 -1.33 0.54 -1.08 0.00 0.00 178.15 176.37 1wfv n ARG 51 N -2.77 0.51 0.25 2.19 1.74 -1.04 -4.37 116.66 113.17 1wfv n ARG 51 Ca -0.02 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 1wfv n ARG 51 Cb 0.14 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 29.84 1wfv n ARG 51 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1wfv h ASN 52 N 0.00 -0.53 0.00 0.55 -1.24 0.11 -3.47 115.58 111.00 1wfv h ASN 52 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1wfv h ASN 52 Cb 0.91 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.09 1wfv h ASN 52 CO 0.00 -0.23 0.00 0.61 -1.29 0.00 0.00 177.43 176.52 1wfv n GLY 53 N -0.77 2.55 0.56 1.57 0.00 -1.21 -4.80 105.19 103.09 1wfv n GLY 53 Ca -0.11 -0.56 0.44 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.30 1.61 1.74 -1.26 -4.21 116.66 110.23 1wfv n ARG 54 Ca 0.00 1.01 -0.24 0.00 -0.77 0.00 0.00 57.85 57.85 1wfv n ARG 54 Cb 0.00 -2.21 -0.12 0.00 -1.02 0.00 0.00 32.46 29.10 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 -4.78 1.16 0.28 5.56 0.23 -1.26 -4.94 119.30 115.55 1wfv s MET 55 Ca -0.05 -1.19 0.04 0.00 -1.03 0.00 0.00 55.69 53.46 1wfv s MET 55 Cb 0.25 -1.44 -0.02 0.00 -1.53 0.00 0.00 34.83 32.10 1wfv s MET 55 CO 0.77 0.33 0.28 0.54 -2.03 0.00 0.00 175.02 174.92 1wfv n ARG 56 N 1.04 0.41 -2.90 3.16 3.00 -1.26 -4.87 116.66 115.24 1wfv n ARG 56 Ca -0.19 -2.67 -0.41 0.00 -0.01 0.00 0.00 57.85 54.56 1wfv n ARG 56 Cb 0.54 2.29 -0.04 0.00 0.00 0.00 0.00 32.46 35.24 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 -3.03 4.87 0.00 1.55 1.01 -1.26 -3.78 120.40 119.76 1wfv s VAL 57 Ca 0.31 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1wfv s VAL 57 Cb 0.01 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1wfv s VAL 57 CO 0.22 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1wfv n GLY 58 N 3.53 1.77 3.26 4.51 0.00 -1.00 -5.00 105.19 112.26 1wfv n GLY 58 Ca 0.05 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 0.08 -2.44 -4.20 1.61 8.00 -1.25 -4.67 116.55 113.68 1wfv n ASP 59 Ca 0.00 -0.07 -0.33 0.00 0.71 0.00 0.00 54.79 55.09 1wfv n ASP 59 Cb 0.00 -0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 40.01 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 -3.32 3.13 -0.15 -1.24 -0.44 -1.26 -3.17 119.66 113.20 1wfv s GLN 60 Ca 0.54 -0.77 -0.17 0.00 -2.50 0.00 0.00 55.36 52.47 1wfv s GLN 60 Cb -0.11 -2.67 -0.04 0.00 -1.64 0.00 0.00 33.01 28.55 1wfv s GLN 60 CO 0.66 -0.14 0.41 0.42 0.50 0.00 0.00 175.29 177.14 1wfv s ILE 61 N 1.19 5.22 -0.02 -2.34 1.01 0.18 -3.68 121.20 122.76 1wfv s ILE 61 Ca 0.02 0.79 0.14 0.00 0.00 0.00 0.00 60.65 61.60 1wfv s ILE 61 Cb -0.14 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.37 1wfv s ILE 61 CO -0.07 0.32 0.29 2.30 0.00 0.00 0.00 174.94 177.78 1wfv n ILE 62 N 3.85 0.04 -4.02 2.92 -0.00 -0.90 -3.77 119.36 117.47 1wfv n ILE 62 Ca -0.08 -0.33 -0.12 0.00 -0.00 0.00 0.00 62.75 62.23 1wfv n ILE 62 Cb 0.51 0.15 -0.12 0.00 -0.00 0.00 0.00 39.64 40.19 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 -2.93 0.40 -0.05 6.28 2.12 -1.24 -1.23 118.70 122.05 1wfv s GLU 63 Ca -0.05 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.65 1wfv s GLU 63 Cb 0.09 -0.12 0.04 0.00 0.26 0.00 0.00 34.13 34.39 1wfv s GLU 63 CO 0.57 0.01 0.09 0.42 -0.54 0.00 0.00 175.26 175.82 1wfv s ILE 64 N -1.24 -0.13 -1.55 -3.70 1.01 -0.21 -0.99 121.20 114.39 1wfv s ILE 64 Ca -0.11 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 1wfv s ILE 64 Cb -0.09 -0.18 0.09 0.00 0.01 0.00 0.00 42.46 42.28 1wfv s ILE 64 CO -0.00 0.13 0.71 0.59 0.00 0.00 0.00 174.94 176.37 1wfv n ASN 65 N 4.87 -2.57 -2.37 3.58 3.02 0.25 -0.41 115.26 121.62 1wfv n ASN 65 Ca -0.13 -0.95 -0.17 0.00 -0.03 0.00 0.00 54.58 53.30 1wfv n ASN 65 Cb 0.50 -3.16 0.03 0.00 -0.61 0.00 0.00 39.78 36.54 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 -1.66 -0.20 2.87 7.41 0.00 -1.24 -5.00 105.19 107.37 1wfv n GLY 66 Ca -0.07 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.48 0.72 0.06 1.61 0.41 0.45 -5.11 118.70 111.35 1wfv s GLU 67 Ca 0.26 -0.05 -0.30 0.00 -0.41 0.00 0.00 54.97 54.46 1wfv s GLU 67 Cb -0.11 -0.79 -0.09 0.00 -1.78 0.00 0.00 34.13 31.36 1wfv s GLU 67 CO 0.32 -0.11 1.88 0.45 -0.49 0.00 0.00 175.26 177.31 1wfv s SER 68 N 1.03 6.47 -0.68 -0.19 0.15 -1.26 -1.05 113.70 118.17 1wfv s SER 68 Ca -0.09 2.65 -0.03 0.00 0.70 0.00 0.00 55.95 59.18 1wfv s SER 68 Cb -0.14 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.87 1wfv s SER 68 CO -0.01 -1.02 2.31 0.35 1.20 0.00 0.00 173.24 176.07 1wfv n THR 69 N 5.26 3.47 -0.13 6.45 -2.24 -0.37 -4.40 114.28 122.32 1wfv n THR 69 Ca 0.19 -3.66 -0.21 0.00 -2.27 0.00 0.00 64.05 58.11 1wfv n THR 69 Cb 0.40 -1.37 -0.11 0.00 -2.10 0.00 0.00 70.33 67.15 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 -0.01 0.62 -2.26 -0.78 0.63 -1.26 -4.61 116.66 109.00 1wfv n ARG 70 Ca 0.52 0.17 -0.28 0.00 -0.92 0.00 0.00 57.85 57.34 1wfv n ARG 70 Cb 0.38 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.81 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 -3.49 5.22 -4.37 6.15 5.68 -1.26 -4.84 116.55 119.63 1wfv n ASP 71 Ca -0.47 -3.74 -0.22 0.00 -0.50 0.00 0.00 54.79 49.86 1wfv n ASP 71 Cb 0.95 -0.52 -0.11 0.00 -1.14 0.00 0.00 41.12 40.30 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1wfv s MET 72 N -3.63 1.37 0.03 0.11 -1.94 -1.26 -5.01 119.30 108.97 1wfv s MET 72 Ca 0.50 -1.51 0.02 0.00 -1.71 0.00 0.00 55.69 52.99 1wfv s MET 72 Cb 0.41 -1.41 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 1wfv s MET 72 CO -0.15 0.27 0.02 0.95 -0.01 0.00 0.00 175.02 176.10 1wfv s THR 73 N -2.27 4.27 0.32 2.05 -4.23 -1.26 0.02 115.64 114.54 1wfv s THR 73 Ca 0.20 -0.67 0.24 0.00 -1.18 0.00 0.00 61.69 60.28 1wfv s THR 73 Cb -0.05 -2.96 0.36 0.00 1.34 0.00 0.00 72.50 71.20 1wfv s THR 73 CO 0.08 0.29 1.14 1.57 -0.54 0.00 0.00 174.62 177.16 1wfv n HIS 74 N 1.08 0.52 0.22 3.99 -0.00 -1.24 0.15 115.22 119.94 1wfv n HIS 74 Ca -0.13 0.52 -0.15 0.00 0.46 0.00 0.00 57.72 58.42 1wfv n HIS 74 Cb 0.52 -0.92 -0.08 0.00 -0.12 0.00 0.00 29.99 29.39 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 1.17 -0.52 -0.39 1.57 0.00 -1.93 -2.55 119.26 116.61 1wfv h ALA 75 Ca 0.64 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.49 1wfv h ALA 75 Cb 2.06 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.96 1wfv h ALA 75 CO -0.34 -0.76 -0.38 -0.09 0.00 0.00 0.00 179.25 177.67 1wfv h ARG 76 N -0.58 -0.29 -0.58 0.00 9.65 0.92 -0.72 114.38 122.78 1wfv h ARG 76 Ca -0.05 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 58.96 1wfv h ARG 76 Cb 0.43 0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 28.98 1wfv h ARG 76 CO 0.09 -0.20 -0.04 0.00 2.80 0.00 0.00 179.97 182.62 1wfv h ALA 77 N 0.55 0.51 0.00 2.80 0.00 -1.48 0.60 119.26 122.24 1wfv h ALA 77 Ca 0.15 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1wfv h ALA 77 Cb 0.57 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wfv h ALA 77 CO -0.55 -0.41 -0.00 0.82 0.00 0.00 0.00 179.25 179.11 1wfv h ILE 78 N 0.08 0.12 0.04 0.00 1.08 -0.74 -1.45 117.51 116.64 1wfv h ILE 78 Ca 0.29 -0.05 -0.31 0.00 -0.39 0.00 0.00 64.86 64.40 1wfv h ILE 78 Cb 0.46 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 1wfv h ILE 78 CO -0.52 0.00 -1.76 -0.08 -0.69 0.00 0.00 178.15 175.10 1wfv h GLU 79 N 0.00 0.09 -0.50 2.37 4.81 0.11 -3.34 114.58 118.12 1wfv h GLU 79 Ca -0.00 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1wfv h GLU 79 Cb 0.04 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1wfv h GLU 79 CO 0.00 0.75 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.78 1wfv h LEU 80 N 0.03 1.01 -1.62 1.64 3.38 0.34 0.86 115.31 120.95 1wfv h LEU 80 Ca -0.32 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1wfv h LEU 80 Cb 2.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 1wfv h LEU 80 CO 0.09 1.16 0.24 0.40 0.09 0.00 0.00 178.44 180.42 1wfv h ILE 81 N 0.86 1.10 0.00 1.22 2.04 -1.52 -0.04 117.51 121.18 1wfv h ILE 81 Ca 0.12 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1wfv h ILE 81 Cb 0.75 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1wfv h ILE 81 CO 0.06 0.10 -1.69 2.29 0.00 0.00 0.00 178.15 178.91 1wfv n LYS 82 N -4.47 0.61 0.09 2.37 2.85 -1.09 -4.21 118.16 114.30 1wfv n LYS 82 Ca 0.03 -0.11 -0.05 0.00 -1.05 0.00 0.00 58.31 57.12 1wfv n LYS 82 Cb 0.07 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 32.84 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 0.01 -0.14 -5.58 0.87 0.13 -3.30 113.55 105.54 1wfv h SER 83 Ca 0.00 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1wfv h SER 83 Cb 0.97 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1wfv h SER 83 CO 0.00 0.87 -0.08 1.23 -0.53 0.00 0.00 176.83 178.32 1wfv h GLY 84 N 2.56 0.32 0.00 5.77 0.00 -1.19 -3.50 103.07 107.03 1wfv h GLY 84 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1wfv h GLY 84 CO 0.11 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.54 1wfv n GLY 85 N 0.04 0.50 0.09 4.60 0.00 -1.25 -4.80 105.19 104.37 1wfv n GLY 85 Ca -0.06 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.25 1.61 1.74 -1.26 -4.78 116.66 110.34 1wfv n ARG 86 Ca 0.00 0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 1wfv n ARG 86 Cb 0.00 -1.76 -0.15 0.00 -1.02 0.00 0.00 32.46 29.53 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 -3.27 3.24 0.06 5.56 0.52 -1.26 0.20 118.95 124.00 1wfv s ARG 87 Ca -0.03 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1wfv s ARG 87 Cb 0.10 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 1wfv s ARG 87 CO 0.82 -0.08 -0.24 0.54 0.02 0.00 0.00 175.30 176.35 1wfv s VAL 88 N 1.10 2.36 -0.10 3.52 0.11 -0.87 -4.89 120.40 121.63 1wfv s VAL 88 Ca 0.00 -1.40 -0.02 0.00 -2.93 0.00 0.00 61.98 57.63 1wfv s VAL 88 Cb -0.14 -1.97 0.04 0.00 -1.53 0.00 0.00 36.38 32.77 1wfv s VAL 88 CO -0.03 0.30 0.02 -0.60 -3.33 0.00 0.00 175.10 171.46 1wfv s ARG 89 N -1.47 0.51 0.05 1.54 3.52 -1.26 -2.89 118.95 118.95 1wfv s ARG 89 Ca 0.13 0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.80 1wfv s ARG 89 Cb -0.10 -1.22 -0.03 0.00 -1.56 0.00 0.00 34.95 32.04 1wfv s ARG 89 CO 0.04 -0.40 -0.15 -0.48 -0.81 0.00 0.00 175.30 173.50 1wfv s LEU 90 N 1.98 2.21 -0.23 -0.88 2.34 -1.20 0.88 118.68 123.78 1wfv s LEU 90 Ca 0.04 -0.53 -0.27 0.00 0.06 0.00 0.00 54.13 53.43 1wfv s LEU 90 Cb -0.13 -0.63 -0.00 0.00 -0.56 0.00 0.00 46.19 44.87 1wfv s LEU 90 CO -0.06 0.01 0.92 -0.22 -1.06 0.00 0.00 176.35 175.94 1wfv s LEU 91 N -1.37 4.10 0.03 1.48 0.20 -0.16 -0.71 118.68 122.24 1wfv s LEU 91 Ca 0.01 1.20 0.03 0.00 0.69 0.00 0.00 54.13 56.06 1wfv s LEU 91 Cb -0.09 -3.34 -0.02 0.00 -0.43 0.00 0.00 46.19 42.31 1wfv s LEU 91 CO 0.02 -0.56 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.21 1wfv s LEU 92 N 2.90 2.16 -0.08 -0.68 2.96 0.74 -2.11 118.68 124.56 1wfv s LEU 92 Ca 0.39 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1wfv s LEU 92 Cb -0.15 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.24 1wfv s LEU 92 CO 0.08 -0.06 -0.17 -1.59 -1.32 0.00 0.00 176.35 173.29 1wfv s LYS 93 N -1.00 2.20 0.14 1.98 -2.85 -1.24 -2.51 119.74 116.47 1wfv s LYS 93 Ca -0.03 -0.59 -0.14 0.00 -1.00 0.00 0.00 55.97 54.21 1wfv s LYS 93 Cb -0.07 -1.74 -0.07 0.00 -2.06 0.00 0.00 37.83 33.89 1wfv s LYS 93 CO 0.00 0.09 0.54 0.50 0.10 0.00 0.00 175.35 176.58 1wfv s ARG 94 N 0.53 3.97 -1.44 1.78 3.00 -1.24 -4.21 118.95 121.34 1wfv s ARG 94 Ca -0.16 0.47 -0.07 0.00 -1.00 0.00 0.00 55.73 54.97 1wfv s ARG 94 Cb -0.17 -2.93 0.04 0.00 0.00 0.00 0.00 34.95 31.89 1wfv s ARG 94 CO 0.06 0.48 2.61 0.41 0.00 0.00 0.00 175.30 178.86 1wfv n GLY 95 N 0.80 4.83 0.13 8.12 0.00 -1.26 -4.40 105.19 113.42 1wfv n GLY 95 Ca -0.05 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 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 2.47 1.55 0.00 2.61 5.66 -1.26 -3.65 114.28 121.66 1wfv n THR 96 Ca 0.69 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1wfv n THR 96 Cb 0.24 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 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 2.10 -2.71 2.03 1.09 0.00 -1.26 -2.21 105.19 104.22 1wfv n GLY 97 Ca -0.44 0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfv n SER 98 N -1.44 5.60 -0.30 1.61 2.88 -1.26 -5.08 113.62 115.63 1wfv n SER 98 Ca 0.00 -3.77 0.01 0.00 -1.33 0.00 0.00 58.87 53.78 1wfv n SER 98 Cb 0.00 -0.70 -0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfv n GLY 99 N -0.90 -0.30 3.58 0.46 0.00 -0.94 -4.79 105.19 102.29 1wfv n GLY 99 Ca 0.51 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.21 -1.57 -0.73 1.61 0.04 -1.26 -4.44 135.00 128.45 1wfv s PRO 100 Ca 0.00 -0.19 -0.04 0.00 0.04 0.00 0.00 61.00 60.81 1wfv s PRO 100 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1wfv s PRO 100 CO 0.00 -3.92 0.63 0.45 0.04 0.00 0.00 177.00 174.20 1wfv n SER 101 N -4.88 -3.92 -4.56 6.66 2.88 -1.26 -4.93 113.62 103.61 1wfv n SER 101 Ca 0.15 -0.31 -0.38 0.00 -1.33 0.00 0.00 58.87 57.01 1wfv n SER 101 Cb 0.60 -3.00 -0.03 0.00 -0.75 0.00 0.00 64.21 61.02 1wfv n SER 101 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfv s SER 102 N -3.29 6.07 0.00 -3.46 0.01 -1.26 -5.18 113.70 106.58 1wfv s SER 102 Ca 0.26 -1.00 0.28 0.00 1.31 0.00 0.00 55.95 56.79 1wfv s SER 102 Cb -0.11 -2.56 0.96 0.00 0.21 0.00 0.00 66.02 64.51 1wfv s SER 102 CO 0.40 -1.89 1.69 0.61 0.41 0.00 0.00 173.24 174.46