#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 3.40 -0.32 1.61 1.04 -1.26 -5.06 113.70 113.11 1wfv s SER 2 Ca 0.00 -0.57 -0.37 0.00 0.48 0.00 0.00 55.95 55.50 1wfv s SER 2 Cb 0.00 -1.53 -0.13 0.00 0.10 0.00 0.00 66.02 64.47 1wfv s SER 2 CO 0.00 0.03 2.07 -1.20 0.98 0.00 0.00 173.24 175.12 1wfv n SER 3 N 4.44 2.24 0.00 7.02 7.64 -1.26 -4.57 113.62 129.13 1wfv n SER 3 Ca -0.20 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wfv n SER 3 Cb 0.51 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 5.95 2.59 3.11 0.23 0.00 -1.26 -5.00 105.19 110.81 1wfv n GLY 4 Ca 0.37 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 5.26 -0.32 1.61 0.01 -1.26 -5.06 113.70 113.94 1wfv s SER 5 Ca 0.00 -2.46 -0.08 0.00 1.31 0.00 0.00 55.95 54.72 1wfv s SER 5 Cb 0.00 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.40 1wfv s SER 5 CO 0.00 -0.46 0.12 -0.55 0.41 0.00 0.00 173.24 172.76 1wfv s SER 6 N 1.25 5.35 1.03 2.44 0.15 -1.26 -5.09 113.70 117.58 1wfv s SER 6 Ca 0.13 -0.77 -0.17 0.00 0.70 0.00 0.00 55.95 55.84 1wfv s SER 6 Cb -0.22 -1.93 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1wfv s SER 6 CO -0.04 -0.24 -0.01 0.61 1.20 0.00 0.00 173.24 174.76 1wfv n GLY 7 N 4.91 -2.51 2.83 9.45 0.00 -1.26 -4.98 105.19 113.62 1wfv n GLY 7 Ca -0.14 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.30 1.46 1.03 1.61 -0.21 -1.26 -5.12 119.66 113.86 1wfv s GLN 8 Ca 0.54 -2.07 -0.19 0.00 0.02 0.00 0.00 55.36 53.66 1wfv s GLN 8 Cb -0.14 -2.71 0.04 0.00 1.00 0.00 0.00 33.01 31.20 1wfv s GLN 8 CO 0.68 -1.10 -0.32 -0.25 -2.12 0.00 0.00 175.29 172.18 1wfv n ASP 9 N 3.65 -2.67 -0.30 5.90 9.92 -1.26 -4.78 116.55 127.00 1wfv n ASP 9 Ca 0.06 -0.16 0.02 0.00 -0.53 0.00 0.00 54.79 54.17 1wfv n ASP 9 Cb 0.35 -0.76 0.09 0.00 -0.64 0.00 0.00 41.12 40.16 1wfv n ASP 9 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1wfv h PHE 10 N -1.96 -0.60 -0.24 1.24 0.04 -1.91 -3.41 116.94 110.10 1wfv h PHE 10 Ca -0.39 0.08 0.24 0.00 2.80 0.00 0.00 57.97 60.70 1wfv h PHE 10 Cb 1.13 0.39 -0.20 0.00 2.20 0.00 0.00 35.95 39.48 1wfv h PHE 10 CO -0.89 -0.38 0.10 -0.51 -0.60 0.00 0.00 178.31 176.04 1wfv s ASP 11 N -5.25 -0.36 -1.12 2.17 1.01 -1.26 -5.06 116.67 106.79 1wfv s ASP 11 Ca -0.15 0.15 -0.21 0.00 0.71 0.00 0.00 52.55 53.05 1wfv s ASP 11 Cb 0.23 1.27 0.06 0.00 1.01 0.00 0.00 42.92 45.49 1wfv s ASP 11 CO 0.75 -0.07 1.55 -0.31 0.21 0.00 0.00 175.17 177.30 1wfv s TYR 12 N 2.96 2.67 0.04 4.23 2.02 -1.26 -4.36 117.35 123.65 1wfv s TYR 12 Ca 0.09 -1.18 0.03 0.00 -0.37 0.00 0.00 57.07 55.64 1wfv s TYR 12 Cb -0.06 -4.70 -0.04 0.00 -0.40 0.00 0.00 41.96 36.76 1wfv s TYR 12 CO -0.15 -1.86 0.01 -0.59 -1.57 0.00 0.00 175.55 171.38 1wfv s PHE 13 N 4.54 3.05 0.46 2.71 -0.12 -1.16 -5.00 117.98 122.45 1wfv s PHE 13 Ca 0.48 0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 57.39 1wfv s PHE 13 Cb 0.01 -1.61 -0.01 0.00 -0.63 0.00 0.00 43.02 40.78 1wfv s PHE 13 CO -0.03 0.47 0.70 0.95 -0.05 0.00 0.00 175.22 177.26 1wfv s THR 14 N -1.20 4.21 0.01 -4.49 -4.23 -1.26 -1.34 115.64 107.33 1wfv s THR 14 Ca 0.23 -0.35 0.08 0.00 -1.18 0.00 0.00 61.69 60.46 1wfv s THR 14 Cb -0.12 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1wfv s THR 14 CO 0.14 -0.44 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.86 1wfv s VAL 15 N -2.60 1.87 -0.16 2.29 1.01 -0.01 -4.83 120.40 117.97 1wfv s VAL 15 Ca 0.48 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1wfv s VAL 15 Cb -0.10 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.75 1wfv s VAL 15 CO 0.39 0.43 0.03 -0.62 0.00 0.00 0.00 175.10 175.33 1wfv s ASP 16 N -0.82 2.48 0.36 3.32 -1.08 -1.26 -3.17 116.67 116.49 1wfv s ASP 16 Ca 0.09 -0.60 0.01 0.00 -0.52 0.00 0.00 52.55 51.53 1wfv s ASP 16 Cb -0.09 -0.51 -0.00 0.00 -1.46 0.00 0.00 42.92 40.86 1wfv s ASP 16 CO 0.00 -0.28 0.45 0.23 0.52 0.00 0.00 175.17 176.09 1wfv n MET 17 N 5.11 0.65 -4.59 4.34 0.00 -1.13 -4.97 117.12 116.53 1wfv n MET 17 Ca -0.08 -3.04 -0.27 0.00 0.00 0.00 0.00 57.70 54.30 1wfv n MET 17 Cb 0.48 2.81 -0.09 0.00 0.00 0.00 0.00 33.22 36.42 1wfv n MET 17 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wfv s GLU 18 N -2.97 1.96 0.81 0.03 2.02 -1.26 -2.44 118.70 116.85 1wfv s GLU 18 Ca 0.33 -2.18 -0.11 0.00 0.02 0.00 0.00 54.97 53.03 1wfv s GLU 18 Cb -0.00 -1.10 0.08 0.00 0.10 0.00 0.00 34.13 33.21 1wfv s GLU 18 CO 0.24 -0.32 1.09 0.21 0.02 0.00 0.00 175.26 176.49 1wfv s LYS 19 N -3.80 1.95 0.00 1.61 2.47 0.32 -3.89 119.74 118.40 1wfv s LYS 19 Ca 0.22 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.60 1wfv s LYS 19 Cb 0.05 -1.88 0.00 0.00 -1.46 0.00 0.00 37.83 34.54 1wfv s LYS 19 CO 0.12 -1.80 0.00 0.41 0.16 0.00 0.00 175.35 174.23 1wfv n GLY 20 N -1.35 3.44 0.09 5.54 0.00 -1.26 -4.58 105.19 107.07 1wfv n GLY 20 Ca 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 0.70 -1.43 4.61 0.00 -1.26 -4.56 120.51 115.57 1wfv n ALA 21 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1wfv n ALA 21 Cb 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.50 2.07 -0.86 0.00 4.76 -1.26 -4.97 118.16 113.40 1wfv n LYS 22 Ca -0.18 -3.21 0.00 0.00 -2.87 0.00 0.00 58.31 52.05 1wfv n LYS 22 Cb 0.47 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfv n GLY 23 N -1.10 -1.68 2.41 0.72 0.00 -1.26 -4.58 105.19 99.70 1wfv n GLY 23 Ca 0.42 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.15 -1.33 -3.20 1.61 3.01 -1.25 -2.68 117.46 113.78 1wfv n PHE 24 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1wfv n PHE 24 Cb 0.00 -2.83 -0.04 0.00 -0.01 0.00 0.00 39.48 36.60 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 -0.79 -0.06 3.38 1.37 0.00 -1.26 -3.74 105.19 104.10 1wfv n GLY 25 Ca -0.15 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.44 -0.59 0.30 1.61 -0.12 -1.09 -0.39 117.98 114.26 1wfv s PHE 26 Ca 0.02 1.36 0.11 0.00 -0.05 0.00 0.00 56.93 58.37 1wfv s PHE 26 Cb -0.01 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1wfv s PHE 26 CO 0.40 -0.29 -0.10 0.45 -0.05 0.00 0.00 175.22 175.63 1wfv s SER 27 N 0.59 3.96 0.39 1.98 0.15 -0.52 -4.91 113.70 115.34 1wfv s SER 27 Ca -0.03 -0.95 0.06 0.00 0.70 0.00 0.00 55.95 55.74 1wfv s SER 27 Cb -0.05 -0.49 -0.07 0.00 -1.71 0.00 0.00 66.02 63.71 1wfv s SER 27 CO -0.03 -0.05 0.02 0.27 1.20 0.00 0.00 173.24 174.65 1wfv s ILE 28 N -2.48 1.75 0.10 6.45 -4.36 -1.26 -1.09 121.20 120.32 1wfv s ILE 28 Ca 0.32 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.63 1wfv s ILE 28 Cb -0.04 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.76 1wfv s ILE 28 CO 0.17 0.00 0.19 0.00 0.24 0.00 0.00 174.94 175.55 1wfv s ARG 29 N -3.76 0.90 1.57 0.37 1.04 0.48 -4.24 118.95 115.31 1wfv s ARG 29 Ca 0.34 -1.03 0.00 0.00 -1.04 0.00 0.00 55.73 54.00 1wfv s ARG 29 Cb 0.09 0.34 0.00 0.00 -2.04 0.00 0.00 34.95 33.34 1wfv s ARG 29 CO 0.17 -0.29 0.00 0.41 -0.04 0.00 0.00 175.30 175.55 1wfv n GLY 30 N -0.09 -1.70 0.00 3.88 0.00 -1.26 -0.82 105.19 105.21 1wfv n GLY 30 Ca -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 1.07 0.32 -0.02 0.00 0.70 -3.53 105.19 103.73 1wfv n GLY 31 Ca 0.00 -2.11 0.20 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.17 1.61 2.47 -0.61 0.12 114.38 117.80 1wfv h ARG 32 Ca 0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 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 0.01 -0.32 1.49 0.56 0.00 0.00 179.97 181.71 1wfv h GLU 33 N 0.00 0.33 -0.26 0.04 4.57 -1.87 -2.97 114.58 114.42 1wfv h GLU 33 Ca -0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1wfv h GLU 33 Cb 0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1wfv h GLU 33 CO 0.00 0.62 0.00 0.66 -1.18 0.00 0.00 179.01 179.11 1wfv n TYR 34 N -4.09 0.35 -3.42 0.92 4.01 -0.53 -4.99 117.16 109.40 1wfv n TYR 34 Ca -0.01 -0.37 -0.17 0.00 -0.16 0.00 0.00 57.90 57.19 1wfv n TYR 34 Cb 0.43 -0.02 0.09 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.55 -6.63 -3.65 -0.72 4.01 -0.11 -4.90 118.16 106.70 1wfv n LYS 35 Ca 0.10 0.83 -0.10 0.00 -0.51 0.00 0.00 58.31 58.63 1wfv n LYS 35 Cb 0.39 -5.81 -0.04 0.00 -0.51 0.00 0.00 35.03 29.05 1wfv n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wfv s MET 36 N -5.42 1.11 1.11 1.97 0.23 -0.36 -4.98 119.30 112.96 1wfv s MET 36 Ca 0.05 -0.74 -0.14 0.00 -1.03 0.00 0.00 55.69 53.83 1wfv s MET 36 Cb -0.02 0.47 0.24 0.00 -1.53 0.00 0.00 34.83 34.00 1wfv s MET 36 CO 0.72 -0.44 1.07 -0.51 -2.03 0.00 0.00 175.02 173.83 1wfv s ASP 37 N -2.82 1.65 -0.26 -1.18 1.11 -1.26 -0.21 116.67 113.70 1wfv s ASP 37 Ca 0.04 1.15 -0.16 0.00 0.18 0.00 0.00 52.55 53.76 1wfv s ASP 37 Cb 0.02 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.19 1wfv s ASP 37 CO -0.11 -3.73 0.40 -0.76 1.18 0.00 0.00 175.17 172.15 1wfv s LEU 38 N -6.83 4.05 0.25 1.23 1.43 -1.26 -3.02 118.68 114.53 1wfv s LEU 38 Ca 0.67 0.35 0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1wfv s LEU 38 Cb -0.19 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1wfv s LEU 38 CO 0.59 -0.19 -0.20 -0.31 0.23 0.00 0.00 176.35 176.48 1wfv s TYR 39 N 2.04 2.17 -0.40 0.29 1.51 0.00 0.27 117.35 123.23 1wfv s TYR 39 Ca 0.16 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.56 1wfv s TYR 39 Cb -0.16 -0.97 -0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1wfv s TYR 39 CO 0.10 0.61 1.59 0.08 -1.11 0.00 0.00 175.55 176.82 1wfv s VAL 40 N -2.45 3.69 0.04 0.71 1.01 -0.82 0.18 120.40 122.75 1wfv s VAL 40 Ca 0.27 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1wfv s VAL 40 Cb -0.05 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 1wfv s VAL 40 CO 0.13 -0.66 1.39 0.25 0.00 0.00 0.00 175.10 176.20 1wfv h LEU 41 N 13.12 -0.77 -7.21 3.92 7.12 -1.28 -2.35 115.31 127.85 1wfv h LEU 41 Ca -0.30 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.64 1wfv h LEU 41 Cb 1.13 0.20 -0.16 0.00 -0.53 0.00 0.00 40.66 41.30 1wfv h LEU 41 CO 1.08 -0.46 0.03 -0.60 -0.13 0.00 0.00 178.44 178.36 1wfv s ARG 42 N -5.37 1.03 -0.06 1.25 3.00 -1.24 -4.73 118.95 112.83 1wfv s ARG 42 Ca -0.16 -0.24 0.03 0.00 -1.00 0.00 0.00 55.73 54.36 1wfv s ARG 42 Cb 0.02 0.47 -0.03 0.00 0.00 0.00 0.00 34.95 35.42 1wfv s ARG 42 CO 0.54 -0.37 -0.13 -0.51 0.00 0.00 0.00 175.30 174.84 1wfv s LEU 43 N -1.96 2.83 -0.38 -0.88 1.43 -1.26 -1.43 118.68 117.02 1wfv s LEU 43 Ca -0.05 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1wfv s LEU 43 Cb -0.01 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1wfv s LEU 43 CO -0.02 0.34 1.07 0.00 0.23 0.00 0.00 176.35 177.97 1wfv s ALA 44 N -0.69 3.37 0.48 4.21 0.00 0.48 -4.89 121.76 124.72 1wfv s ALA 44 Ca 0.11 -0.26 0.40 0.00 0.00 0.00 0.00 51.96 52.20 1wfv s ALA 44 Cb -0.11 -3.72 2.16 0.00 0.00 0.00 0.00 23.12 21.45 1wfv s ALA 44 CO 0.01 -1.76 2.22 1.05 0.00 0.00 0.00 175.76 177.28 1wfv h GLU 45 N 8.53 0.00 -0.14 0.00 4.11 -1.98 0.38 114.58 125.47 1wfv h GLU 45 Ca -0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 1wfv h GLU 45 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1wfv h GLU 45 CO 1.05 0.00 -0.02 -0.40 0.07 0.00 0.00 179.01 179.71 1wfv n ASP 46 N -2.90 3.02 -4.86 3.06 5.75 -1.26 -4.93 116.55 114.42 1wfv n ASP 46 Ca -0.03 -3.14 -0.21 0.00 -0.01 0.00 0.00 54.79 51.41 1wfv n ASP 46 Cb 0.07 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 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 -2.45 2.04 0.42 6.12 0.00 0.12 -4.87 107.32 108.70 1wfv s GLY 47 Ca 0.38 -1.83 0.29 0.00 0.00 0.00 0.00 44.72 43.56 1wfv s GLY 47 CO 0.05 -1.67 1.87 -0.56 0.00 0.00 0.00 173.10 172.79 1wfv h PRO 48 N 1.11 0.00 0.02 2.90 0.13 -1.83 -3.27 132.00 131.06 1wfv h PRO 48 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.58 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.34 1wfv h ALA 49 N 2.12 -0.45 -0.93 -0.56 0.00 -1.79 -2.48 119.26 115.17 1wfv h ALA 49 Ca 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.17 1wfv h ALA 49 Cb 0.43 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1wfv h ALA 49 CO 0.00 -0.44 1.03 0.97 0.00 0.00 0.00 179.25 180.80 1wfv h ILE 50 N -0.06 0.10 0.12 0.00 2.10 -1.71 1.48 117.51 119.54 1wfv h ILE 50 Ca -0.00 0.00 -0.28 0.00 1.08 0.00 0.00 64.86 65.66 1wfv h ILE 50 Cb 0.02 0.18 0.01 0.00 -1.09 0.00 0.00 36.82 35.95 1wfv h ILE 50 CO 0.01 0.00 -1.21 0.03 -1.08 0.00 0.00 178.15 175.90 1wfv h ARG 51 N 0.00 0.40 0.76 2.19 3.08 -1.60 -3.35 114.38 115.86 1wfv h ARG 51 Ca 0.44 -0.59 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1wfv h ARG 51 Cb 2.49 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 32.74 1wfv h ARG 51 CO -0.00 1.25 -0.48 -0.97 -1.07 0.00 0.00 179.97 178.70 1wfv h ASN 52 N 0.16 -1.21 0.00 7.04 -1.24 0.26 -3.47 115.58 117.12 1wfv h ASN 52 Ca -0.15 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1wfv h ASN 52 Cb 1.90 0.35 0.00 0.00 0.73 0.00 0.00 38.32 41.30 1wfv h ASN 52 CO 0.21 -0.72 0.00 0.61 -1.29 0.00 0.00 177.43 176.24 1wfv n GLY 53 N -1.60 2.87 0.43 1.57 0.00 -1.13 -4.84 105.19 102.49 1wfv n GLY 53 Ca -0.14 -0.73 0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.61 1.61 5.12 -1.26 -4.09 116.66 113.42 1wfv n ARG 54 Ca 0.00 0.84 -0.27 0.00 -1.93 0.00 0.00 57.85 56.49 1wfv n ARG 54 Cb 0.00 -1.79 -0.14 0.00 -1.16 0.00 0.00 32.46 29.37 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 -4.55 1.45 0.21 5.56 0.23 -1.26 -4.94 119.30 116.01 1wfv s MET 55 Ca -0.04 -1.10 0.03 0.00 -1.03 0.00 0.00 55.69 53.55 1wfv s MET 55 Cb 0.21 -1.68 -0.01 0.00 -1.53 0.00 0.00 34.83 31.82 1wfv s MET 55 CO 0.62 0.42 0.12 0.54 -2.03 0.00 0.00 175.02 174.68 1wfv n ARG 56 N 1.53 0.51 -3.16 3.16 3.00 -1.26 -4.80 116.66 115.64 1wfv n ARG 56 Ca -0.18 -1.93 -0.35 0.00 -0.01 0.00 0.00 57.85 55.39 1wfv n ARG 56 Cb 0.53 1.27 -0.06 0.00 0.00 0.00 0.00 32.46 34.20 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 -2.57 4.66 -0.22 1.55 1.01 -1.26 -4.07 120.40 119.50 1wfv s VAL 57 Ca 0.16 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1wfv s VAL 57 Cb 0.01 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wfv s VAL 57 CO 0.12 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1wfv n GLY 58 N 0.44 0.30 3.87 4.51 0.00 -0.88 -4.98 105.19 108.45 1wfv n GLY 58 Ca -0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 1wfv n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wfv s ASP 59 N -2.90 5.32 -0.30 1.61 -1.08 -1.26 -4.88 116.67 113.19 1wfv s ASP 59 Ca 0.00 -0.51 -0.06 0.00 -0.52 0.00 0.00 52.55 51.46 1wfv s ASP 59 Cb 0.00 -0.92 0.02 0.00 -1.46 0.00 0.00 42.92 40.56 1wfv s ASP 59 CO 0.00 -0.42 0.07 -1.58 0.52 0.00 0.00 175.17 173.76 1wfv s GLN 60 N -4.05 2.90 -0.11 4.34 -0.44 -1.26 -1.95 119.66 119.09 1wfv s GLN 60 Ca 0.43 -0.98 -0.24 0.00 -2.50 0.00 0.00 55.36 52.06 1wfv s GLN 60 Cb -0.06 -3.36 -0.03 0.00 -1.64 0.00 0.00 33.01 27.93 1wfv s GLN 60 CO 0.27 -0.51 0.77 0.42 0.50 0.00 0.00 175.29 176.74 1wfv s ILE 61 N 1.44 4.97 -0.09 -2.34 1.01 0.14 -4.00 121.20 122.34 1wfv s ILE 61 Ca 0.01 1.54 0.15 0.00 0.00 0.00 0.00 60.65 62.35 1wfv s ILE 61 Cb -0.18 -4.09 -0.23 0.00 0.01 0.00 0.00 42.46 37.97 1wfv s ILE 61 CO 0.02 0.15 0.21 2.30 0.00 0.00 0.00 174.94 177.62 1wfv n ILE 62 N 4.24 0.53 -4.15 2.92 -0.00 -0.83 -4.21 119.36 117.86 1wfv n ILE 62 Ca 0.01 -0.52 -0.16 0.00 -0.00 0.00 0.00 62.75 62.08 1wfv n ILE 62 Cb 0.50 -0.23 -0.12 0.00 -0.00 0.00 0.00 39.64 39.80 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 -2.78 0.76 -0.25 6.28 2.12 -1.20 -3.45 118.70 120.18 1wfv s GLU 63 Ca -0.07 -0.94 -0.02 0.00 0.36 0.00 0.00 54.97 54.29 1wfv s GLU 63 Cb 0.08 -0.66 0.12 0.00 0.26 0.00 0.00 34.13 33.93 1wfv s GLU 63 CO 0.67 0.14 0.26 0.42 -0.54 0.00 0.00 175.26 176.21 1wfv s ILE 64 N -1.49 -0.36 -1.39 -3.70 1.01 -0.18 -2.32 121.20 112.77 1wfv s ILE 64 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1wfv s ILE 64 Cb -0.09 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.54 1wfv s ILE 64 CO 0.02 -0.34 0.19 0.59 0.00 0.00 0.00 174.94 175.39 1wfv n ASN 65 N 5.31 -5.14 0.00 3.58 3.02 0.64 -1.75 115.26 120.92 1wfv n ASN 65 Ca -0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1wfv n ASN 65 Cb 0.48 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.16 2.61 3.78 7.41 0.00 -1.25 -5.01 105.19 111.58 1wfv n GLY 66 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.78 4.26 -0.06 1.61 2.02 -0.72 -4.93 118.70 120.11 1wfv s GLU 67 Ca 0.00 1.48 0.02 0.00 0.02 0.00 0.00 54.97 56.49 1wfv s GLU 67 Cb 0.00 -2.60 0.15 0.00 0.10 0.00 0.00 34.13 31.78 1wfv s GLU 67 CO 0.00 -0.05 0.84 0.43 0.02 0.00 0.00 175.26 176.51 1wfv n SER 68 N 0.07 2.21 -3.60 -0.19 7.64 -1.26 -1.01 113.62 117.48 1wfv n SER 68 Ca 0.04 -2.21 -0.26 0.00 1.01 0.00 0.00 58.87 57.45 1wfv n SER 68 Cb 0.50 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.14 -0.22 -3.59 0.44 -2.24 -1.22 -4.78 114.28 102.80 1wfv n THR 69 Ca 0.07 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 1wfv n THR 69 Cb 0.50 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 1wfv n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfv s ARG 70 N -5.43 4.04 -1.32 -0.78 1.04 -1.26 -4.36 118.95 110.89 1wfv s ARG 70 Ca 0.37 -0.20 -0.06 0.00 -1.04 0.00 0.00 55.73 54.80 1wfv s ARG 70 Cb -0.22 -3.58 0.01 0.00 -2.04 0.00 0.00 34.95 29.12 1wfv s ARG 70 CO 0.68 -0.05 1.09 -0.25 -0.04 0.00 0.00 175.30 176.74 1wfv n ASP 71 N 4.61 -4.70 -4.49 -2.89 8.00 -1.26 -5.00 116.55 110.83 1wfv n ASP 71 Ca -0.13 -0.60 -0.32 0.00 0.71 0.00 0.00 54.79 54.45 1wfv n ASP 71 Cb 0.52 -4.93 -0.13 0.00 -0.02 0.00 0.00 41.12 36.56 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 -6.03 2.36 0.17 -1.24 -1.94 -1.26 -4.95 119.30 106.40 1wfv s MET 72 Ca 0.39 -0.80 -0.04 0.00 -1.71 0.00 0.00 55.69 53.53 1wfv s MET 72 Cb -0.17 -2.33 -0.05 0.00 2.01 0.00 0.00 34.83 34.29 1wfv s MET 72 CO 0.74 0.59 0.39 0.95 -0.01 0.00 0.00 175.02 177.69 1wfv s THR 73 N -0.84 5.16 0.37 2.05 -4.23 -1.26 -0.08 115.64 116.81 1wfv s THR 73 Ca 0.13 -0.04 0.22 0.00 -1.18 0.00 0.00 61.69 60.83 1wfv s THR 73 Cb -0.11 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.44 1wfv s THR 73 CO 0.03 -0.03 1.51 1.57 -0.54 0.00 0.00 174.62 177.16 1wfv n HIS 74 N -0.14 1.03 0.23 3.99 -0.00 -1.23 0.48 115.22 119.58 1wfv n HIS 74 Ca -0.03 1.04 -0.15 0.00 0.46 0.00 0.00 57.72 59.04 1wfv n HIS 74 Cb 0.52 -1.45 -0.08 0.00 -0.12 0.00 0.00 29.99 28.86 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 1.84 -0.52 -0.43 1.57 0.00 -1.93 -2.26 119.26 117.54 1wfv h ALA 75 Ca 0.82 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.69 1wfv h ALA 75 Cb 2.26 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 20.16 1wfv h ALA 75 CO -0.68 -0.79 -0.32 -0.09 0.00 0.00 0.00 179.25 177.37 1wfv h ARG 76 N -0.53 -0.23 -0.70 0.00 9.65 -0.34 -0.01 114.38 122.21 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 0.41 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.96 1wfv h ARG 76 CO 0.09 -0.15 0.28 0.00 2.80 0.00 0.00 179.97 182.99 1wfv h ALA 77 N 0.80 0.95 0.00 2.80 0.00 -1.40 0.47 119.26 122.89 1wfv h ALA 77 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wfv h ALA 77 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wfv h ALA 77 CO -0.56 -0.18 0.00 -0.89 0.00 0.00 0.00 179.25 177.63 1wfv n ILE 78 N -4.98 0.90 -0.06 0.00 2.08 -0.17 -2.29 119.36 114.85 1wfv n ILE 78 Ca 0.12 0.36 -0.12 0.00 0.56 0.00 0.00 62.75 63.66 1wfv n ILE 78 Cb 0.34 -1.31 -0.14 0.00 -0.75 0.00 0.00 39.64 37.78 1wfv n ILE 78 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1wfv n GLU 79 N -2.23 0.67 -0.13 0.38 2.13 0.14 -4.16 120.64 117.44 1wfv n GLU 79 Ca 0.01 0.17 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 1wfv n GLU 79 Cb 0.18 -1.65 -0.02 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 0.88 -1.50 4.31 3.38 -0.33 0.41 115.31 122.47 1wfv h LEU 80 Ca -0.44 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.20 1wfv h LEU 80 Cb 2.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 1wfv h LEU 80 CO 0.04 1.10 0.44 0.40 0.09 0.00 0.00 178.44 180.51 1wfv h ILE 81 N 0.66 0.95 0.00 1.22 2.04 -1.65 -0.90 117.51 119.83 1wfv h ILE 81 Ca 0.08 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1wfv h ILE 81 Cb 0.79 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1wfv h ILE 81 CO 0.06 0.10 -1.17 2.29 0.00 0.00 0.00 178.15 179.44 1wfv n LYS 82 N -4.48 0.23 0.03 2.37 2.85 -1.13 -4.21 118.16 113.82 1wfv n LYS 82 Ca 0.10 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.21 1wfv n LYS 82 Cb 0.31 -1.54 0.01 0.00 -0.65 0.00 0.00 35.03 33.16 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 0.60 -0.00 -5.58 0.87 0.12 -3.22 113.55 106.35 1wfv h SER 83 Ca 0.00 -0.39 -0.16 0.00 -1.23 0.00 0.00 61.79 60.02 1wfv h SER 83 Cb 0.68 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1wfv h SER 83 CO 0.00 1.14 -0.52 1.23 -0.53 0.00 0.00 176.83 178.15 1wfv h GLY 84 N 1.09 0.62 0.00 5.77 0.00 -1.54 -3.50 103.07 105.51 1wfv h GLY 84 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1wfv h GLY 84 CO 0.13 0.63 0.00 0.61 0.00 0.00 0.00 176.54 177.91 1wfv n GLY 85 N 0.20 0.39 0.06 4.60 0.00 -1.22 -4.75 105.19 104.47 1wfv n GLY 85 Ca -0.03 -1.19 0.11 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 0.59 -4.05 1.61 1.74 -1.26 -4.68 116.66 110.61 1wfv n ARG 86 Ca 0.00 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.70 1wfv n ARG 86 Cb 0.00 -1.67 -0.13 0.00 -1.02 0.00 0.00 32.46 29.64 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 -3.41 3.54 0.10 5.56 0.52 -1.26 0.12 118.95 124.12 1wfv s ARG 87 Ca -0.03 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 54.72 1wfv s ARG 87 Cb 0.12 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 1wfv s ARG 87 CO 0.84 -0.05 -0.24 0.54 0.02 0.00 0.00 175.30 176.42 1wfv s VAL 88 N 1.13 1.94 -0.11 3.52 0.11 -1.02 -4.83 120.40 121.13 1wfv s VAL 88 Ca 0.02 -1.56 -0.04 0.00 -2.93 0.00 0.00 61.98 57.47 1wfv s VAL 88 Cb -0.14 -1.72 0.05 0.00 -1.53 0.00 0.00 36.38 33.03 1wfv s VAL 88 CO 0.01 0.06 0.10 -0.60 -3.33 0.00 0.00 175.10 171.35 1wfv s ARG 89 N -1.81 0.02 0.06 1.54 3.52 -1.26 -2.83 118.95 118.19 1wfv s ARG 89 Ca 0.10 0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.97 1wfv s ARG 89 Cb -0.10 -1.05 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 1wfv s ARG 89 CO 0.04 -0.49 -0.16 -0.48 -0.81 0.00 0.00 175.30 173.41 1wfv s LEU 90 N 2.19 2.21 -0.34 -0.88 2.34 -1.19 -0.26 118.68 122.75 1wfv s LEU 90 Ca 0.04 -0.53 -0.24 0.00 0.06 0.00 0.00 54.13 53.46 1wfv s LEU 90 Cb -0.14 -0.67 0.01 0.00 -0.56 0.00 0.00 46.19 44.83 1wfv s LEU 90 CO -0.07 0.03 0.82 -0.22 -1.06 0.00 0.00 176.35 175.85 1wfv s LEU 91 N -1.38 4.08 0.15 1.48 0.20 -0.98 -0.83 118.68 121.40 1wfv s LEU 91 Ca 0.02 0.52 0.09 0.00 0.69 0.00 0.00 54.13 55.45 1wfv s LEU 91 Cb -0.09 -3.11 -0.04 0.00 -0.43 0.00 0.00 46.19 42.53 1wfv s LEU 91 CO 0.02 -0.72 -0.20 -0.22 -0.29 0.00 0.00 176.35 174.94 1wfv s LEU 92 N 3.14 2.40 -0.06 -0.68 2.96 -0.45 -1.96 118.68 124.03 1wfv s LEU 92 Ca 0.33 -0.81 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1wfv s LEU 92 Cb -0.13 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.68 1wfv s LEU 92 CO 0.16 0.02 -0.07 -1.59 -1.32 0.00 0.00 176.35 173.55 1wfv s LYS 93 N -2.53 1.11 0.04 1.98 -2.85 -1.26 -3.00 119.74 113.24 1wfv s LYS 93 Ca 0.14 -0.19 -0.29 0.00 -1.00 0.00 0.00 55.97 54.63 1wfv s LYS 93 Cb -0.07 -1.07 -0.04 0.00 -2.06 0.00 0.00 37.83 34.58 1wfv s LYS 93 CO 0.06 -0.08 0.92 0.50 0.10 0.00 0.00 175.35 176.85 1wfv s ARG 94 N 0.99 4.59 0.14 1.78 3.00 -1.26 -4.43 118.95 123.77 1wfv s ARG 94 Ca -0.09 1.34 -0.32 0.00 -1.00 0.00 0.00 55.73 55.65 1wfv s ARG 94 Cb -0.14 -3.42 -0.08 0.00 0.00 0.00 0.00 34.95 31.30 1wfv s ARG 94 CO -0.00 0.10 1.55 0.78 0.00 0.00 0.00 175.30 177.73 1wfv h GLY 95 N 6.21 -0.91 -3.41 8.12 0.00 -1.98 -3.44 103.07 107.66 1wfv h GLY 95 Ca -0.42 0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1wfv h GLY 95 CO 0.73 -0.09 0.00 -0.37 0.00 0.00 0.00 176.54 176.81 1wfv n THR 96 N -5.36 0.00 -2.83 4.70 5.66 -1.26 -4.82 114.28 110.38 1wfv n THR 96 Ca -0.02 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 1wfv n THR 96 Cb 0.33 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.07 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 -1.45 2.30 -1.43 1.09 0.00 -1.26 -3.76 107.32 102.80 1wfv s GLY 97 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 1wfv s GLY 97 CO 0.00 1.70 1.10 1.44 0.00 0.00 0.00 173.10 177.35 1wfv n SER 98 N 4.91 -5.69 -3.31 1.64 7.64 -1.26 -3.59 113.62 113.95 1wfv n SER 98 Ca 0.05 -0.64 -0.28 0.00 1.01 0.00 0.00 58.87 59.02 1wfv n SER 98 Cb 0.49 -4.58 0.03 0.00 -1.01 0.00 0.00 64.21 59.14 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 -1.88 -0.30 0.00 0.23 0.00 -1.25 -4.78 105.19 97.22 1wfv n GLY 99 Ca 0.02 1.05 0.06 0.00 0.00 0.00 0.00 46.02 47.15 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 -0.03 0.49 -1.28 1.61 -0.04 -1.24 -4.03 135.00 130.48 1wfv n PRO 100 Ca -0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 1wfv n PRO 100 Cb 0.60 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1wfv n PRO 100 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfv n SER 101 N -0.91 6.61 -4.07 3.54 3.41 -1.26 -4.80 113.62 116.14 1wfv n SER 101 Ca 0.10 -2.73 -0.34 0.00 -0.26 0.00 0.00 58.87 55.64 1wfv n SER 101 Cb 0.04 -1.40 -0.13 0.00 -0.26 0.00 0.00 64.21 62.46 1wfv n SER 101 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfv s SER 102 N 1.51 4.99 0.00 4.04 0.15 -1.26 -5.27 113.70 117.86 1wfv s SER 102 Ca 0.65 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1wfv s SER 102 Cb 0.29 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1wfv s SER 102 CO -0.07 -0.45 0.35 0.61 1.20 0.00 0.00 173.24 174.88