#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 0.21 0.46 1.61 1.04 -1.26 -5.15 113.70 110.61 1wfv s SER 2 Ca 0.00 -0.53 -0.22 0.00 0.48 0.00 0.00 55.95 55.68 1wfv s SER 2 Cb 0.00 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.23 1wfv s SER 2 CO 0.00 -0.45 1.07 -0.44 0.98 0.00 0.00 173.24 174.40 1wfv s SER 3 N -1.96 6.37 0.00 7.02 0.01 -1.26 -3.74 113.70 120.15 1wfv s SER 3 Ca -0.08 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1wfv s SER 3 Cb -0.03 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1wfv s SER 3 CO -0.03 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1wfv n GLY 4 N 0.09 1.98 3.56 3.44 0.00 -1.26 -4.98 105.19 108.01 1wfv n GLY 4 Ca 0.08 -0.26 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 1wfv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfv n SER 5 N 2.81 0.93 -4.13 1.61 2.88 -1.24 -0.49 113.62 115.99 1wfv n SER 5 Ca 0.00 1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 58.35 1wfv n SER 5 Cb 0.00 -1.20 -0.05 0.00 -0.75 0.00 0.00 64.21 62.21 1wfv n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfv n SER 6 N 1.67 -2.32 -3.08 -3.46 3.41 -1.26 -4.83 113.62 103.76 1wfv n SER 6 Ca 0.13 -0.91 -0.17 0.00 -0.26 0.00 0.00 58.87 57.66 1wfv n SER 6 Cb 0.27 -1.97 -0.02 0.00 -0.26 0.00 0.00 64.21 62.23 1wfv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfv n GLY 7 N -1.09 3.44 0.99 5.00 0.00 0.36 -4.89 105.19 108.99 1wfv n GLY 7 Ca 0.08 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 0.18 0.00 -1.62 1.61 6.02 -1.26 -4.82 117.38 117.48 1wfv n GLN 8 Ca 0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.01 1wfv n GLN 8 Cb 0.67 -0.51 0.14 0.00 1.02 0.00 0.00 30.24 31.56 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 -2.96 0.35 -3.31 1.08 9.92 -1.26 -4.75 116.55 115.62 1wfv n ASP 9 Ca 0.00 -1.51 -0.21 0.00 -0.53 0.00 0.00 54.79 52.54 1wfv n ASP 9 Cb 0.48 -0.68 0.20 0.00 -0.64 0.00 0.00 41.12 40.48 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 -3.12 -3.04 -1.66 1.24 3.01 -1.26 -4.78 117.46 107.84 1wfv n PHE 10 Ca 0.13 -0.41 -0.44 0.00 1.01 0.00 0.00 57.45 57.74 1wfv n PHE 10 Cb 0.44 -1.16 -0.03 0.00 -0.01 0.00 0.00 39.48 38.71 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 -3.58 3.99 -4.45 4.37 8.00 -1.26 -4.90 116.55 118.72 1wfv n ASP 11 Ca 0.09 0.90 -0.44 0.00 0.71 0.00 0.00 54.79 56.05 1wfv n ASP 11 Cb 0.41 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.01 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 4.51 3.34 0.04 1.24 2.02 -1.26 -4.23 117.35 123.01 1wfv s TYR 12 Ca 0.90 -1.77 0.03 0.00 -0.37 0.00 0.00 57.07 55.87 1wfv s TYR 12 Cb -0.49 -4.26 -0.04 0.00 -0.40 0.00 0.00 41.96 36.77 1wfv s TYR 12 CO 0.44 -1.41 -0.02 -0.59 -1.57 0.00 0.00 175.55 172.40 1wfv s PHE 13 N 1.98 2.98 0.30 2.71 -0.12 -1.23 -5.02 117.98 119.59 1wfv s PHE 13 Ca 0.36 0.00 -0.03 0.00 -0.05 0.00 0.00 56.93 57.22 1wfv s PHE 13 Cb -0.04 -1.59 -0.04 0.00 -0.63 0.00 0.00 43.02 40.71 1wfv s PHE 13 CO -0.05 0.45 0.54 0.95 -0.05 0.00 0.00 175.22 177.05 1wfv s THR 14 N -1.16 5.07 -0.04 -4.49 -4.23 -1.26 -1.57 115.64 107.95 1wfv s THR 14 Ca 0.21 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1wfv s THR 14 Cb -0.11 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 1wfv s THR 14 CO 0.13 -0.40 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.00 1wfv s VAL 15 N -2.16 3.25 -0.10 2.29 1.01 0.29 -4.86 120.40 120.13 1wfv s VAL 15 Ca 0.42 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1wfv s VAL 15 Cb -0.10 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1wfv s VAL 15 CO 0.32 0.56 0.01 -0.62 0.00 0.00 0.00 175.10 175.37 1wfv s ASP 16 N -0.86 1.87 0.26 3.32 -1.08 -1.26 -3.11 116.67 115.81 1wfv s ASP 16 Ca 0.12 -0.24 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 1wfv s ASP 16 Cb -0.11 -0.48 -0.00 0.00 -1.46 0.00 0.00 42.92 40.87 1wfv s ASP 16 CO 0.02 -0.22 0.47 -0.04 0.52 0.00 0.00 175.17 175.93 1wfv s MET 17 N 1.95 1.60 0.44 4.34 1.00 -1.18 -4.97 119.30 122.47 1wfv s MET 17 Ca 0.04 -1.32 0.03 0.00 0.00 0.00 0.00 55.69 54.44 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 -0.66 0.04 -1.21 0.00 0.00 0.00 175.02 173.13 1wfv s GLU 18 N -3.87 2.00 0.73 2.03 2.02 -1.26 -2.44 118.70 117.92 1wfv s GLU 18 Ca 0.24 -2.22 -0.11 0.00 0.02 0.00 0.00 54.97 52.90 1wfv s GLU 18 Cb -0.00 -1.25 0.03 0.00 0.10 0.00 0.00 34.13 33.01 1wfv s GLU 18 CO 0.10 -0.29 1.07 0.21 0.02 0.00 0.00 175.26 176.37 1wfv s LYS 19 N -3.80 2.63 0.00 1.61 2.47 0.33 -4.44 119.74 118.54 1wfv s LYS 19 Ca 0.21 1.03 0.00 0.00 -1.56 0.00 0.00 55.97 55.65 1wfv s LYS 19 Cb 0.05 -1.95 0.00 0.00 -1.46 0.00 0.00 37.83 34.47 1wfv s LYS 19 CO 0.11 -1.34 0.00 0.41 0.16 0.00 0.00 175.35 174.69 1wfv n GLY 20 N -1.68 6.24 0.38 5.54 0.00 0.12 -4.82 105.19 110.97 1wfv n GLY 20 Ca 0.08 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 1.00 -0.58 -0.35 4.61 0.00 -1.98 -2.87 119.26 119.09 1wfv h ALA 21 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1wfv h ALA 21 Cb 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1wfv h ALA 21 CO 0.00 -0.90 -0.05 1.63 0.00 0.00 0.00 179.25 179.93 1wfv n LYS 22 N -5.44 1.98 0.00 0.00 5.02 -1.26 -5.07 118.16 113.39 1wfv n LYS 22 Ca -0.05 -3.13 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 1wfv n LYS 22 Cb 0.35 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.05 -0.25 0.34 0.72 0.00 -1.08 -4.62 105.19 99.24 1wfv n GLY 23 Ca 0.32 -2.25 0.21 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.77 1.61 0.04 -1.87 0.33 116.94 115.28 1wfv h PHE 24 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1wfv h PHE 24 Cb 0.00 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.17 1wfv h PHE 24 CO 0.00 0.00 -0.11 0.41 -0.60 0.00 0.00 178.31 178.01 1wfv n GLY 25 N -1.14 0.72 3.36 -1.45 0.00 -1.26 -0.69 105.19 104.73 1wfv n GLY 25 Ca -0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.05 -0.58 0.45 1.61 -0.12 -1.26 0.19 117.98 115.21 1wfv s PHE 26 Ca 0.09 1.33 0.07 0.00 -0.05 0.00 0.00 56.93 58.38 1wfv s PHE 26 Cb -0.04 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1wfv s PHE 26 CO 0.12 -0.30 0.30 0.45 -0.05 0.00 0.00 175.22 175.74 1wfv s SER 27 N 0.70 4.69 0.24 1.98 0.15 -0.37 -5.01 113.70 116.09 1wfv s SER 27 Ca -0.04 -1.01 0.01 0.00 0.70 0.00 0.00 55.95 55.61 1wfv s SER 27 Cb -0.05 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 1wfv s SER 27 CO -0.05 -0.72 0.11 0.27 1.20 0.00 0.00 173.24 174.05 1wfv s ILE 28 N -2.60 0.37 0.23 6.45 -4.36 -1.26 -2.15 121.20 117.88 1wfv s ILE 28 Ca 0.41 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.70 1wfv s ILE 28 Cb -0.00 -2.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1wfv s ILE 28 CO 0.24 0.00 0.40 0.00 0.24 0.00 0.00 174.94 175.81 1wfv s ARG 29 N -4.06 1.45 1.95 0.37 1.70 0.40 -4.24 118.95 116.52 1wfv s ARG 29 Ca 0.38 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 1wfv s ARG 29 Cb 0.07 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 1wfv s ARG 29 CO 0.13 -0.58 0.00 0.41 -1.08 0.00 0.00 175.30 174.19 1wfv n GLY 30 N -0.35 -1.11 0.00 3.88 0.00 -1.26 -1.47 105.19 104.88 1wfv n GLY 30 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.94 0.23 -0.02 0.00 0.11 -3.64 105.19 102.81 1wfv n GLY 31 Ca 0.00 -2.18 0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 7.82 0.00 -0.12 1.61 2.47 -0.23 -0.50 114.38 125.43 1wfv h ARG 32 Ca 0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1wfv h ARG 32 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1wfv h ARG 32 CO 0.00 0.00 -0.58 0.93 0.56 0.00 0.00 179.97 180.88 1wfv h GLU 33 N 0.00 0.37 -0.29 0.04 5.08 -1.86 -3.16 114.58 114.76 1wfv h GLU 33 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1wfv h GLU 33 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wfv h GLU 33 CO 0.00 0.85 0.00 0.66 -1.00 0.00 0.00 179.01 179.52 1wfv n TYR 34 N -3.91 0.49 -3.62 4.33 4.02 -0.43 -4.98 117.16 113.06 1wfv n TYR 34 Ca -0.03 -0.57 -0.20 0.00 -0.01 0.00 0.00 57.90 57.09 1wfv n TYR 34 Cb 0.61 -0.08 0.05 0.00 -0.02 0.00 0.00 39.34 39.90 1wfv n TYR 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1wfv n LYS 35 N 0.21 -5.51 -3.77 -0.72 4.76 -0.33 -4.89 118.16 107.91 1wfv n LYS 35 Ca 0.12 0.70 -0.10 0.00 -2.87 0.00 0.00 58.31 56.16 1wfv n LYS 35 Cb 0.49 -5.41 -0.05 0.00 -1.84 0.00 0.00 35.03 28.22 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 -5.80 1.20 1.07 1.97 0.23 -0.63 -4.98 119.30 112.36 1wfv s MET 36 Ca 0.02 -0.90 -0.13 0.00 -1.03 0.00 0.00 55.69 53.64 1wfv s MET 36 Cb -0.01 0.46 0.22 0.00 -1.53 0.00 0.00 34.83 33.97 1wfv s MET 36 CO 0.78 -0.48 1.08 -0.51 -2.03 0.00 0.00 175.02 173.87 1wfv s ASP 37 N -2.88 2.01 -0.31 -1.18 1.01 -1.26 -0.71 116.67 113.35 1wfv s ASP 37 Ca 0.09 1.17 -0.16 0.00 0.71 0.00 0.00 52.55 54.36 1wfv s ASP 37 Cb 0.01 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 1wfv s ASP 37 CO -0.05 -3.51 0.42 -0.76 0.21 0.00 0.00 175.17 171.48 1wfv s LEU 38 N -6.69 4.23 0.34 1.23 1.43 -1.25 -3.06 118.68 114.92 1wfv s LEU 38 Ca 0.67 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 1wfv s LEU 38 Cb -0.19 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.50 1wfv s LEU 38 CO 0.59 -0.32 -0.04 -0.31 0.23 0.00 0.00 176.35 176.50 1wfv s TYR 39 N 2.17 2.48 -0.30 0.29 1.51 -0.54 0.44 117.35 123.41 1wfv s TYR 39 Ca 0.16 -0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1wfv s TYR 39 Cb -0.16 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1wfv s TYR 39 CO 0.11 0.53 1.13 0.08 -1.11 0.00 0.00 175.55 176.29 1wfv s VAL 40 N -2.56 4.44 -0.01 0.71 1.01 -1.23 0.15 120.40 122.91 1wfv s VAL 40 Ca 0.34 1.67 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 1wfv s VAL 40 Cb 0.01 -4.33 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 1wfv s VAL 40 CO 0.18 -0.43 1.05 0.25 0.00 0.00 0.00 175.10 176.15 1wfv h LEU 41 N 10.15 -0.36 -7.07 3.92 7.12 -1.61 -3.20 115.31 124.26 1wfv h LEU 41 Ca -0.22 -0.19 -0.07 0.00 0.13 0.00 0.00 57.88 57.54 1wfv h LEU 41 Cb 1.07 0.09 -0.19 0.00 -0.53 0.00 0.00 40.66 41.10 1wfv h LEU 41 CO 1.02 0.07 0.12 -0.60 -0.13 0.00 0.00 178.44 178.93 1wfv s ARG 42 N -4.14 1.01 0.10 1.25 3.00 -1.26 -4.84 118.95 114.07 1wfv s ARG 42 Ca -0.13 0.16 0.03 0.00 -1.00 0.00 0.00 55.73 54.79 1wfv s ARG 42 Cb 0.01 0.47 -0.04 0.00 0.00 0.00 0.00 34.95 35.40 1wfv s ARG 42 CO 0.48 -0.32 0.13 -0.51 0.00 0.00 0.00 175.30 175.08 1wfv s LEU 43 N -1.27 3.95 -0.39 -0.88 1.43 -1.26 -1.23 118.68 119.01 1wfv s LEU 43 Ca -0.11 0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 1wfv s LEU 43 Cb -0.01 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1wfv s LEU 43 CO 0.08 0.14 0.82 0.00 0.23 0.00 0.00 176.35 177.62 1wfv s ALA 44 N -1.50 3.37 0.67 4.21 0.00 0.13 -4.90 121.76 123.74 1wfv s ALA 44 Ca 0.31 -0.72 0.41 0.00 0.00 0.00 0.00 51.96 51.96 1wfv s ALA 44 Cb -0.12 -3.44 2.26 0.00 0.00 0.00 0.00 23.12 21.82 1wfv s ALA 44 CO 0.24 -1.66 2.27 1.05 0.00 0.00 0.00 175.76 177.66 1wfv h GLU 45 N 8.65 0.00 -0.04 0.00 4.11 -1.98 0.49 114.58 125.81 1wfv h GLU 45 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1wfv h GLU 45 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wfv h GLU 45 CO 0.94 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.62 1wfv n ASP 46 N -3.03 2.13 -4.95 3.06 5.75 -1.26 -4.97 116.55 113.27 1wfv n ASP 46 Ca -0.03 -2.03 -0.23 0.00 -0.01 0.00 0.00 54.79 52.50 1wfv n ASP 46 Cb 0.14 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1wfv n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1wfv s GLY 47 N -1.04 1.56 0.38 6.12 0.00 0.16 -4.85 107.32 109.65 1wfv s GLY 47 Ca 0.04 -1.07 0.28 0.00 0.00 0.00 0.00 44.72 43.96 1wfv s GLY 47 CO 0.02 -0.92 1.83 -0.56 0.00 0.00 0.00 173.10 173.47 1wfv h PRO 48 N 0.45 0.00 0.29 2.90 0.13 -1.76 -3.23 132.00 130.78 1wfv h PRO 48 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1wfv h PRO 48 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wfv h PRO 48 CO 0.57 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.20 1wfv h ALA 49 N 2.16 -0.39 0.00 -0.56 0.00 -1.12 -2.58 119.26 116.77 1wfv h ALA 49 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wfv h ALA 49 Cb 0.41 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wfv h ALA 49 CO 0.00 -0.40 0.23 0.97 0.00 0.00 0.00 179.25 180.05 1wfv h ILE 50 N -1.03 0.00 0.00 0.00 2.10 -1.69 0.59 117.51 117.48 1wfv h ILE 50 Ca -0.04 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.86 1wfv h ILE 50 Cb 0.43 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.67 1wfv h ILE 50 CO 0.07 0.00 -1.24 0.54 -1.08 0.00 0.00 178.15 176.44 1wfv n ARG 51 N -2.47 0.62 0.23 2.19 1.74 -1.19 -4.30 116.66 113.46 1wfv n ARG 51 Ca -0.02 0.09 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 1wfv n ARG 51 Cb 0.26 -1.78 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 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 -0.49 0.00 0.55 -1.24 0.62 -3.47 115.58 111.54 1wfv h ASN 52 Ca -0.04 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1wfv h ASN 52 Cb 1.12 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1wfv h ASN 52 CO 0.01 -0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.58 1wfv n GLY 53 N -0.65 2.60 0.68 1.57 0.00 -1.20 -4.80 105.19 103.39 1wfv n GLY 53 Ca -0.11 -0.59 0.49 0.00 0.00 0.00 0.00 46.02 45.82 1wfv n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 54 N 0.00 0.00 -5.43 1.61 2.47 -1.91 -3.36 114.38 107.76 1wfv h ARG 54 Ca 0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 1wfv h ARG 54 Cb 0.00 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.03 1wfv h ARG 54 CO 0.00 0.00 -0.82 0.00 0.56 0.00 0.00 179.97 179.71 1wfv s MET 55 N -4.85 1.27 0.34 0.04 0.23 -1.26 -4.91 119.30 110.15 1wfv s MET 55 Ca -0.05 -0.55 0.04 0.00 -1.03 0.00 0.00 55.69 54.10 1wfv s MET 55 Cb 0.26 -1.22 -0.03 0.00 -1.53 0.00 0.00 34.83 32.31 1wfv s MET 55 CO 0.86 0.33 0.18 1.03 -2.03 0.00 0.00 175.02 175.39 1wfv s ARG 56 N -0.34 1.73 -0.23 3.16 3.00 -1.26 -4.78 118.95 120.23 1wfv s ARG 56 Ca 0.06 -2.02 -0.23 0.00 0.00 0.00 0.00 55.73 53.54 1wfv s ARG 56 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 34.95 34.73 1wfv s ARG 56 CO -0.01 -0.51 0.75 0.54 0.00 0.00 0.00 175.30 176.07 1wfv s VAL 57 N -3.45 4.91 0.00 3.52 0.11 -1.26 -3.87 120.40 120.36 1wfv s VAL 57 Ca 0.33 1.41 0.00 0.00 -2.93 0.00 0.00 61.98 60.79 1wfv s VAL 57 Cb 0.04 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 1wfv s VAL 57 CO 0.19 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 1wfv n GLY 58 N 3.84 1.36 2.13 6.54 0.00 -1.21 -5.03 105.19 112.81 1wfv n GLY 58 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.02 -4.09 1.61 9.92 -1.25 -4.95 116.55 118.81 1wfv n ASP 59 Ca 0.00 -1.77 -0.31 0.00 -0.53 0.00 0.00 54.79 52.18 1wfv n ASP 59 Cb 0.00 -0.27 -0.16 0.00 -0.64 0.00 0.00 41.12 40.04 1wfv n ASP 59 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1wfv s GLN 60 N -3.58 2.61 -0.25 -1.24 -0.44 -1.26 -3.51 119.66 112.00 1wfv s GLN 60 Ca 0.34 -0.69 -0.16 0.00 -2.50 0.00 0.00 55.36 52.34 1wfv s GLN 60 Cb -0.02 -2.22 -0.03 0.00 -1.64 0.00 0.00 33.01 29.09 1wfv s GLN 60 CO 0.22 -0.11 0.44 0.42 0.50 0.00 0.00 175.29 176.75 1wfv s ILE 61 N 1.11 5.14 -0.03 -2.34 1.01 0.17 -3.50 121.20 122.75 1wfv s ILE 61 Ca -0.02 0.74 0.19 0.00 0.00 0.00 0.00 60.65 61.55 1wfv s ILE 61 Cb -0.14 -3.76 -0.29 0.00 0.01 0.00 0.00 42.46 38.28 1wfv s ILE 61 CO -0.06 0.15 0.41 2.30 0.00 0.00 0.00 174.94 177.75 1wfv n ILE 62 N 4.92 0.00 -4.06 2.92 -0.00 -0.83 -3.77 119.36 118.55 1wfv n ILE 62 Ca -0.07 -0.43 -0.10 0.00 -0.00 0.00 0.00 62.75 62.16 1wfv n ILE 62 Cb 0.50 0.08 -0.11 0.00 -0.00 0.00 0.00 39.64 40.12 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 -3.30 0.52 -0.11 6.28 2.12 -1.23 -2.81 118.70 120.17 1wfv s GLU 63 Ca -0.07 -0.89 -0.04 0.00 0.36 0.00 0.00 54.97 54.32 1wfv s GLU 63 Cb 0.12 -0.03 0.05 0.00 0.26 0.00 0.00 34.13 34.53 1wfv s GLU 63 CO 0.78 -0.03 0.23 0.42 -0.54 0.00 0.00 175.26 176.12 1wfv s ILE 64 N -2.29 -0.26 -1.40 -3.70 1.01 -0.57 -2.34 121.20 111.66 1wfv s ILE 64 Ca -0.05 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.79 1wfv s ILE 64 Cb -0.04 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.05 1wfv s ILE 64 CO -0.03 0.10 0.36 0.59 0.00 0.00 0.00 174.94 175.97 1wfv n ASN 65 N 4.96 -0.90 -3.82 3.58 3.02 0.14 -0.29 115.26 121.95 1wfv n ASN 65 Ca -0.13 -1.12 -0.28 0.00 -0.03 0.00 0.00 54.58 53.02 1wfv n ASN 65 Cb 0.51 -2.51 0.04 0.00 -0.61 0.00 0.00 39.78 37.21 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 -2.14 -0.49 2.86 7.41 0.00 -1.24 -4.98 105.19 106.61 1wfv n GLY 66 Ca -0.27 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.49 0.05 0.21 1.61 2.02 0.61 -5.13 118.70 111.57 1wfv s GLU 67 Ca 0.60 0.47 -0.32 0.00 0.02 0.00 0.00 54.97 55.73 1wfv s GLU 67 Cb -0.29 -0.25 -0.13 0.00 0.10 0.00 0.00 34.13 33.56 1wfv s GLU 67 CO 0.80 -0.25 1.55 -1.13 0.02 0.00 0.00 175.26 176.25 1wfv n SER 68 N 4.85 3.19 -3.09 -0.19 3.41 -1.26 -1.51 113.62 119.02 1wfv n SER 68 Ca -0.14 1.11 -0.35 0.00 -0.26 0.00 0.00 58.87 59.22 1wfv n SER 68 Cb 0.51 -1.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.00 1wfv n SER 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wfv n THR 69 N 2.87 4.13 -0.11 6.66 -2.24 -1.12 -4.62 114.28 119.84 1wfv n THR 69 Ca 0.14 -5.27 -0.16 0.00 -2.27 0.00 0.00 64.05 56.49 1wfv n THR 69 Cb 0.31 -1.39 -0.10 0.00 -2.10 0.00 0.00 70.33 67.05 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 -0.30 0.56 -2.34 -0.78 1.85 -1.26 -4.63 116.66 109.75 1wfv n ARG 70 Ca 0.44 0.14 -0.28 0.00 -1.00 0.00 0.00 57.85 57.15 1wfv n ARG 70 Cb 0.35 -1.45 0.01 0.00 -1.05 0.00 0.00 32.46 30.32 1wfv n ARG 70 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1wfv n ASP 71 N -3.22 5.03 -4.33 2.89 5.75 -1.26 -4.87 116.55 116.53 1wfv n ASP 71 Ca -0.40 -3.74 -0.23 0.00 -0.01 0.00 0.00 54.79 50.41 1wfv n ASP 71 Cb 0.92 -0.50 -0.12 0.00 -1.03 0.00 0.00 41.12 40.40 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 -3.60 1.27 -0.00 0.11 -1.94 -1.26 -5.00 119.30 108.88 1wfv s MET 72 Ca 0.49 -1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 1wfv s MET 72 Cb 0.41 -1.42 -0.04 0.00 2.01 0.00 0.00 34.83 35.79 1wfv s MET 72 CO -0.17 0.30 0.11 0.95 -0.01 0.00 0.00 175.02 176.20 1wfv s THR 73 N -1.78 4.91 0.35 2.05 -4.23 -1.26 0.36 115.64 116.04 1wfv s THR 73 Ca 0.14 -0.36 0.28 0.00 -1.18 0.00 0.00 61.69 60.57 1wfv s THR 73 Cb -0.07 -3.27 0.42 0.00 1.34 0.00 0.00 72.50 70.92 1wfv s THR 73 CO 0.06 0.33 1.12 1.57 -0.54 0.00 0.00 174.62 177.17 1wfv n HIS 74 N 1.07 0.33 0.16 3.99 -0.00 -1.24 0.16 115.22 119.69 1wfv n HIS 74 Ca -0.12 0.33 -0.14 0.00 0.46 0.00 0.00 57.72 58.25 1wfv n HIS 74 Cb 0.53 -0.72 -0.08 0.00 -0.12 0.00 0.00 29.99 29.60 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 0.99 -0.40 -0.50 1.57 0.00 -1.93 -2.57 119.26 116.43 1wfv h ALA 75 Ca 0.65 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.50 1wfv h ALA 75 Cb 2.28 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 20.12 1wfv h ALA 75 CO -0.22 -0.61 -0.30 -0.09 0.00 0.00 0.00 179.25 178.03 1wfv h ARG 76 N -0.63 -0.17 -0.46 0.00 9.65 0.11 -0.36 114.38 122.53 1wfv h ARG 76 Ca -0.04 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 1wfv h ARG 76 Cb 0.45 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.00 1wfv h ARG 76 CO 0.07 -0.12 0.04 0.00 2.80 0.00 0.00 179.97 182.76 1wfv h ALA 77 N 0.98 0.47 0.00 2.80 0.00 -1.52 0.35 119.26 122.34 1wfv h ALA 77 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wfv h ALA 77 Cb 0.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wfv h ALA 77 CO -0.60 -0.36 0.00 0.82 0.00 0.00 0.00 179.25 179.11 1wfv h ILE 78 N 0.16 0.00 0.03 0.00 1.08 -0.69 -1.80 117.51 116.28 1wfv h ILE 78 Ca 0.23 -0.09 -0.34 0.00 -0.39 0.00 0.00 64.86 64.27 1wfv h ILE 78 Cb 0.32 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1wfv h ILE 78 CO -0.34 0.00 -2.04 1.21 -0.69 0.00 0.00 178.15 176.29 1wfv n GLU 79 N -2.76 0.68 -0.14 2.37 2.13 0.77 -4.13 120.64 119.55 1wfv n GLU 79 Ca -0.02 0.19 -0.08 0.00 0.66 0.00 0.00 57.16 57.92 1wfv n GLU 79 Cb 0.10 -1.67 0.08 0.00 0.27 0.00 0.00 31.44 30.22 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 0.89 -1.68 4.31 3.38 0.33 0.29 115.31 122.84 1wfv h LEU 80 Ca -0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 1wfv h LEU 80 Cb 2.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1wfv h LEU 80 CO 0.05 1.01 0.09 0.40 0.09 0.00 0.00 178.44 180.08 1wfv h ILE 81 N 0.80 1.09 0.00 1.22 2.04 -1.58 -1.36 117.51 119.72 1wfv h ILE 81 Ca 0.13 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1wfv h ILE 81 Cb 0.64 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1wfv h ILE 81 CO 0.04 0.10 -1.10 2.29 0.00 0.00 0.00 178.15 179.48 1wfv n LYS 82 N -4.45 0.18 0.07 2.37 2.85 -1.04 -4.18 118.16 113.96 1wfv n LYS 82 Ca 0.00 -0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 1wfv n LYS 82 Cb 0.12 -1.53 -0.13 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 0.13 0.35 -5.58 0.87 0.46 -3.30 113.55 106.48 1wfv h SER 83 Ca 0.00 -0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.26 1wfv h SER 83 Cb 0.64 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1wfv h SER 83 CO 0.00 1.11 -0.66 1.23 -0.53 0.00 0.00 176.83 177.98 1wfv h GLY 84 N 2.61 0.31 0.00 5.77 0.00 -1.45 -3.50 103.07 106.81 1wfv h GLY 84 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1wfv h GLY 84 CO 0.15 0.37 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1wfv n GLY 85 N 0.40 0.20 0.05 4.60 0.00 -1.24 -4.67 105.19 104.52 1wfv n GLY 85 Ca -0.03 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 0.54 -4.02 1.61 1.74 -1.26 -4.73 116.66 110.54 1wfv n ARG 86 Ca 0.00 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.68 1wfv n ARG 86 Cb 0.00 -1.63 -0.13 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.38 3.54 -0.05 5.56 0.52 -1.26 0.12 118.95 123.99 1wfv s ARG 87 Ca -0.03 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.67 1wfv s ARG 87 Cb 0.13 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.53 1wfv s ARG 87 CO 0.85 -0.07 -0.19 0.54 0.02 0.00 0.00 175.30 176.45 1wfv s VAL 88 N 1.19 1.56 -0.11 3.52 0.11 -1.02 -4.82 120.40 120.83 1wfv s VAL 88 Ca 0.03 -0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1wfv s VAL 88 Cb -0.15 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.38 1wfv s VAL 88 CO 0.01 0.45 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.53 1wfv s ARG 89 N 0.05 1.69 0.04 1.54 3.52 -1.26 -3.12 118.95 121.41 1wfv s ARG 89 Ca -0.05 -0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1wfv s ARG 89 Cb -0.12 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 1wfv s ARG 89 CO 0.03 -0.23 -0.10 -0.48 -0.81 0.00 0.00 175.30 173.70 1wfv s LEU 90 N 1.56 2.20 -0.45 -0.88 2.34 -1.18 0.24 118.68 122.50 1wfv s LEU 90 Ca 0.03 -0.47 -0.26 0.00 0.06 0.00 0.00 54.13 53.49 1wfv s LEU 90 Cb -0.13 -0.37 0.03 0.00 -0.56 0.00 0.00 46.19 45.16 1wfv s LEU 90 CO -0.07 -0.07 0.96 -0.22 -1.06 0.00 0.00 176.35 175.88 1wfv s LEU 91 N -1.27 3.95 -0.00 1.48 0.20 -0.99 -0.54 118.68 121.51 1wfv s LEU 91 Ca -0.03 0.21 0.07 0.00 0.69 0.00 0.00 54.13 55.07 1wfv s LEU 91 Cb -0.08 -3.25 -0.02 0.00 -0.43 0.00 0.00 46.19 42.41 1wfv s LEU 91 CO 0.01 -1.06 -0.23 -0.22 -0.29 0.00 0.00 176.35 174.56 1wfv s LEU 92 N 3.82 2.07 -0.08 -0.68 2.96 -0.61 -1.96 118.68 124.21 1wfv s LEU 92 Ca 0.39 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1wfv s LEU 92 Cb -0.10 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1wfv s LEU 92 CO 0.26 0.26 -0.15 -1.59 -1.32 0.00 0.00 176.35 173.81 1wfv s LYS 93 N -0.67 2.04 0.19 1.98 -2.85 -1.23 -3.52 119.74 115.68 1wfv s LYS 93 Ca 0.09 -0.52 -0.16 0.00 -1.00 0.00 0.00 55.97 54.37 1wfv s LYS 93 Cb -0.09 -1.65 -0.08 0.00 -2.06 0.00 0.00 37.83 33.96 1wfv s LYS 93 CO -0.00 0.04 0.63 0.50 0.10 0.00 0.00 175.35 176.62 1wfv s ARG 94 N 0.66 4.09 -0.73 1.78 6.06 -1.26 -4.05 118.95 125.50 1wfv s ARG 94 Ca -0.14 0.65 -0.04 0.00 -2.50 0.00 0.00 55.73 53.70 1wfv s ARG 94 Cb -0.16 -2.87 0.09 0.00 0.06 0.00 0.00 34.95 32.07 1wfv s ARG 94 CO 0.04 0.42 2.63 0.41 -2.50 0.00 0.00 175.30 176.30 1wfv n GLY 95 N 0.66 4.66 0.21 8.12 0.00 -1.26 -4.46 105.19 113.12 1wfv n GLY 95 Ca -0.03 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 1.10 0.00 -4.58 2.61 5.66 -1.26 -4.82 114.28 112.99 1wfv n THR 96 Ca 0.53 -0.11 -0.24 0.00 -3.05 0.00 0.00 64.05 61.18 1wfv n THR 96 Cb 0.45 0.26 -0.16 0.00 -1.55 0.00 0.00 70.33 69.33 1wfv n THR 96 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wfv s GLY 97 N -2.49 0.75 -0.29 1.09 0.00 -1.26 -5.02 107.32 100.09 1wfv s GLY 97 Ca 0.26 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.54 1wfv s GLY 97 CO 0.51 -0.02 1.86 1.44 0.00 0.00 0.00 173.10 176.89 1wfv n SER 98 N 3.56 5.63 0.00 1.64 7.64 -1.26 -4.85 113.62 125.99 1wfv n SER 98 Ca -0.21 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.68 1wfv n SER 98 Cb 0.52 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfv n GLY 99 N 0.17 4.67 0.00 0.23 0.00 -1.26 -5.08 105.19 103.93 1wfv n GLY 99 Ca 0.30 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1wfv n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfv n PRO 100 N -1.21 0.00 -3.74 1.61 -0.04 -1.26 -4.74 135.00 125.61 1wfv n PRO 100 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1wfv n PRO 100 Cb 0.00 -0.22 -0.10 0.00 -0.04 0.00 0.00 33.50 33.15 1wfv n PRO 100 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfv s SER 101 N -1.51 5.26 0.03 3.54 1.04 -1.26 -5.05 113.70 115.75 1wfv s SER 101 Ca 0.00 -3.13 0.03 0.00 0.48 0.00 0.00 55.95 53.33 1wfv s SER 101 Cb 0.00 -1.83 -0.02 0.00 0.10 0.00 0.00 66.02 64.27 1wfv s SER 101 CO 0.00 -0.29 -0.09 -0.55 0.98 0.00 0.00 173.24 173.28 1wfv s SER 102 N 0.24 1.09 0.00 7.02 0.15 -1.26 -5.19 113.70 115.75 1wfv s SER 102 Ca 0.20 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wfv s SER 102 Cb -0.17 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1wfv s SER 102 CO -0.06 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.93