#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfv n SER 2 N 0.00 5.06 -3.85 1.61 3.41 -1.26 -4.91 113.62 113.69 1wfv n SER 2 Ca 0.00 -3.75 -0.29 0.00 -0.26 0.00 0.00 58.87 54.57 1wfv n SER 2 Cb 0.00 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 1wfv n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfv s SER 3 N -3.46 4.12 -0.52 4.04 0.15 -1.26 -5.07 113.70 111.70 1wfv s SER 3 Ca 0.51 -3.13 -0.19 0.00 0.70 0.00 0.00 55.95 53.84 1wfv s SER 3 Cb 0.41 -1.42 0.06 0.00 -1.71 0.00 0.00 66.02 63.37 1wfv s SER 3 CO -0.02 -0.20 0.63 -0.83 1.20 0.00 0.00 173.24 174.02 1wfv s GLY 4 N -0.40 1.78 -0.44 9.45 0.00 -1.26 -4.98 107.32 111.46 1wfv s GLY 4 Ca 0.20 -1.82 -0.39 0.00 0.00 0.00 0.00 44.72 42.71 1wfv s GLY 4 CO -0.05 1.47 1.81 1.44 0.00 0.00 0.00 173.10 177.77 1wfv n SER 5 N 6.16 0.74 -2.34 1.64 7.64 -1.26 -4.80 113.62 121.40 1wfv n SER 5 Ca -0.07 0.68 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 1wfv n SER 5 Cb 0.45 -0.79 0.04 0.00 -1.01 0.00 0.00 64.21 62.89 1wfv n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfv n SER 6 N 6.09 6.20 -0.37 6.43 3.41 -1.26 -5.00 113.62 129.12 1wfv n SER 6 Ca 0.45 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 1wfv n SER 6 Cb -0.04 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 -0.71 -2.85 3.57 5.00 0.00 -1.26 -4.99 105.19 103.95 1wfv n GLY 7 Ca 0.51 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1wfv n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wfv s GLN 8 N -3.15 3.79 -0.26 1.61 -2.07 -1.26 -5.05 119.66 113.27 1wfv s GLN 8 Ca 0.00 -0.33 -0.20 0.00 -1.82 0.00 0.00 55.36 53.01 1wfv s GLN 8 Cb 0.00 -3.72 0.07 0.00 -1.09 0.00 0.00 33.01 28.27 1wfv s GLN 8 CO 0.00 -0.33 0.68 0.16 -1.32 0.00 0.00 175.29 174.48 1wfv s ASP 9 N 1.72 -0.80 -0.09 12.60 -4.77 -1.26 -5.07 116.67 119.00 1wfv s ASP 9 Ca 0.10 1.42 -0.22 0.00 -3.30 0.00 0.00 52.55 50.55 1wfv s ASP 9 Cb -0.16 1.38 -0.18 0.00 -1.09 0.00 0.00 42.92 42.87 1wfv s ASP 9 CO 0.11 -0.24 0.76 -0.26 0.70 0.00 0.00 175.17 176.24 1wfv h PHE 10 N 5.92 -0.08 -0.80 2.11 0.04 -1.92 -3.46 116.94 118.75 1wfv h PHE 10 Ca -0.30 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.59 1wfv h PHE 10 Cb 1.19 0.03 -0.21 0.00 2.20 0.00 0.00 35.95 39.16 1wfv h PHE 10 CO 0.25 0.50 -0.20 -0.51 -0.60 0.00 0.00 178.31 177.75 1wfv s ASP 11 N -5.77 -1.18 -1.21 2.17 1.01 -1.26 -5.00 116.67 105.43 1wfv s ASP 11 Ca -0.14 0.49 -0.21 0.00 0.71 0.00 0.00 52.55 53.41 1wfv s ASP 11 Cb -0.01 1.89 -0.04 0.00 1.01 0.00 0.00 42.92 45.77 1wfv s ASP 11 CO 0.51 -0.22 1.88 -1.22 0.21 0.00 0.00 175.17 176.33 1wfv n TYR 12 N 5.40 3.26 -4.12 4.23 4.01 -1.26 -4.12 117.16 124.56 1wfv n TYR 12 Ca 0.01 -1.89 -0.28 0.00 -0.16 0.00 0.00 57.90 55.57 1wfv n TYR 12 Cb 0.53 -2.59 -0.07 0.00 -0.31 0.00 0.00 39.34 36.90 1wfv n TYR 12 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1wfv s PHE 13 N 8.75 3.02 0.37 -0.72 -0.12 -1.10 -4.99 117.98 123.20 1wfv s PHE 13 Ca 0.63 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 57.52 1wfv s PHE 13 Cb 0.02 -1.51 -0.01 0.00 -0.63 0.00 0.00 43.02 40.89 1wfv s PHE 13 CO 0.12 0.50 0.55 0.95 -0.05 0.00 0.00 175.22 177.29 1wfv s THR 14 N -1.52 4.18 0.06 -4.49 -4.23 -1.26 -0.54 115.64 107.84 1wfv s THR 14 Ca 0.28 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 60.10 1wfv s THR 14 Cb -0.11 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1wfv s THR 14 CO 0.20 -0.26 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.11 1wfv s VAL 15 N -2.32 1.77 -0.10 2.29 1.01 0.29 -4.82 120.40 118.52 1wfv s VAL 15 Ca 0.45 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1wfv s VAL 15 Cb -0.10 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1wfv s VAL 15 CO 0.34 0.17 0.02 -0.62 0.00 0.00 0.00 175.10 175.00 1wfv s ASP 16 N -1.38 1.88 0.33 3.32 2.15 -1.26 -3.18 116.67 118.52 1wfv s ASP 16 Ca 0.08 -0.26 -0.05 0.00 0.43 0.00 0.00 52.55 52.76 1wfv s ASP 16 Cb -0.09 -0.45 0.01 0.00 -0.30 0.00 0.00 42.92 42.08 1wfv s ASP 16 CO 0.03 -0.23 0.49 -0.04 -0.17 0.00 0.00 175.17 175.25 1wfv s MET 17 N 1.97 1.87 0.39 4.34 -1.94 -1.13 -4.96 119.30 119.84 1wfv s MET 17 Ca 0.04 -1.65 0.07 0.00 -1.71 0.00 0.00 55.69 52.43 1wfv s MET 17 Cb -0.13 0.46 -0.08 0.00 2.01 0.00 0.00 34.83 37.09 1wfv s MET 17 CO -0.06 -0.78 0.01 -1.21 -0.01 0.00 0.00 175.02 172.97 1wfv s GLU 18 N -3.16 1.89 0.60 2.03 2.02 -1.26 -2.24 118.70 118.58 1wfv s GLU 18 Ca 0.28 -2.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.06 1wfv s GLU 18 Cb -0.01 -1.51 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 1wfv s GLU 18 CO 0.18 -0.06 1.05 0.21 0.02 0.00 0.00 175.26 176.66 1wfv s LYS 19 N -3.73 3.31 0.00 1.61 2.20 0.49 -4.02 119.74 119.60 1wfv s LYS 19 Ca 0.35 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1wfv s LYS 19 Cb 0.09 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 1wfv s LYS 19 CO 0.17 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1wfv n GLY 20 N -1.24 3.31 0.11 5.54 0.00 -1.26 -4.65 105.19 107.00 1wfv n GLY 20 Ca 0.08 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 0.89 -1.31 4.61 0.00 -1.26 -4.46 120.51 115.98 1wfv n ALA 21 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 1wfv n ALA 21 Cb 0.00 -0.24 0.20 0.00 0.00 0.00 0.00 19.45 19.41 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 -4.39 2.20 -1.04 0.00 4.76 -1.26 -4.97 118.16 113.45 1wfv n LYS 22 Ca -0.36 -3.09 0.00 0.00 -2.87 0.00 0.00 58.31 51.99 1wfv n LYS 22 Cb 0.70 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.05 -2.04 1.79 0.72 0.00 -1.26 -4.43 105.19 98.91 1wfv n GLY 23 Ca 0.46 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.35 -1.50 -3.88 1.61 3.01 -1.26 -1.40 117.46 114.39 1wfv n PHE 24 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.19 1wfv n PHE 24 Cb 0.00 -0.95 -0.07 0.00 -0.01 0.00 0.00 39.48 38.45 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 -0.28 -0.18 3.36 1.37 0.00 -1.26 -3.26 105.19 104.95 1wfv n GLY 25 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.55 -0.46 0.29 1.61 -0.12 -0.49 0.21 117.98 115.46 1wfv s PHE 26 Ca 0.25 1.02 0.09 0.00 -0.05 0.00 0.00 56.93 58.25 1wfv s PHE 26 Cb -0.14 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.38 1wfv s PHE 26 CO 0.78 -0.33 -0.13 0.45 -0.05 0.00 0.00 175.22 175.93 1wfv s SER 27 N -0.30 3.31 0.38 1.98 0.15 -0.80 -4.90 113.70 113.51 1wfv s SER 27 Ca -0.05 -1.11 0.06 0.00 0.70 0.00 0.00 55.95 55.55 1wfv s SER 27 Cb -0.03 -0.26 -0.07 0.00 -1.71 0.00 0.00 66.02 63.94 1wfv s SER 27 CO 0.03 -0.14 0.02 0.27 1.20 0.00 0.00 173.24 174.62 1wfv s ILE 28 N -2.71 1.73 0.09 6.45 -4.36 -1.26 -1.17 121.20 119.97 1wfv s ILE 28 Ca 0.29 -2.01 -0.09 0.00 -0.26 0.00 0.00 60.65 58.58 1wfv s ILE 28 Cb -0.00 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.80 1wfv s ILE 28 CO 0.14 -0.01 0.21 0.00 0.24 0.00 0.00 174.94 175.51 1wfv s ARG 29 N -3.77 0.87 1.54 0.37 1.70 0.31 -4.26 118.95 115.72 1wfv s ARG 29 Ca 0.35 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1wfv s ARG 29 Cb 0.09 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1wfv s ARG 29 CO 0.17 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.51 1wfv n GLY 30 N -0.08 -1.65 0.00 3.88 0.00 -1.26 -0.68 105.19 105.40 1wfv n GLY 30 Ca -0.15 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 1.06 0.33 -0.02 0.00 0.14 -3.72 105.19 102.99 1wfv n GLY 31 Ca 0.00 -2.22 0.21 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 0.00 0.00 -0.25 1.61 2.47 -0.44 0.24 114.38 118.01 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 0.00 -0.29 0.93 0.56 0.00 0.00 179.97 181.17 1wfv h GLU 33 N 0.00 0.50 -0.30 0.04 4.39 -1.85 -3.02 114.58 114.33 1wfv h GLU 33 Ca 0.01 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1wfv h GLU 33 Cb 0.14 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1wfv h GLU 33 CO -0.00 0.74 0.00 0.66 -1.16 0.00 0.00 179.01 179.25 1wfv n TYR 34 N -4.10 0.47 -3.61 4.33 4.02 -0.26 -4.98 117.16 113.04 1wfv n TYR 34 Ca -0.01 -0.55 -0.20 0.00 -0.01 0.00 0.00 57.90 57.13 1wfv n TYR 34 Cb 0.43 -0.06 0.06 0.00 -0.02 0.00 0.00 39.34 39.74 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 0.28 -5.71 -3.64 -0.72 4.01 -0.09 -4.88 118.16 107.41 1wfv n LYS 35 Ca 0.12 0.71 -0.10 0.00 -0.51 0.00 0.00 58.31 58.53 1wfv n LYS 35 Cb 0.47 -5.48 -0.05 0.00 -0.51 0.00 0.00 35.03 29.46 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 -5.79 1.06 1.09 1.97 0.23 -0.56 -4.97 119.30 112.34 1wfv s MET 36 Ca 0.06 -0.71 -0.13 0.00 -1.03 0.00 0.00 55.69 53.87 1wfv s MET 36 Cb -0.03 0.47 0.24 0.00 -1.53 0.00 0.00 34.83 33.98 1wfv s MET 36 CO 0.78 -0.41 1.06 -0.51 -2.03 0.00 0.00 175.02 173.90 1wfv s ASP 37 N -2.80 1.68 -0.32 -1.18 1.01 -1.26 0.25 116.67 114.05 1wfv s ASP 37 Ca 0.03 1.33 -0.17 0.00 0.71 0.00 0.00 52.55 54.45 1wfv s ASP 37 Cb 0.02 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1wfv s ASP 37 CO -0.12 -3.74 0.47 -0.76 0.21 0.00 0.00 175.17 171.23 1wfv s LEU 38 N -6.88 4.26 0.34 1.23 1.43 -1.25 -3.03 118.68 114.78 1wfv s LEU 38 Ca 0.67 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.94 1wfv s LEU 38 Cb -0.22 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1wfv s LEU 38 CO 0.61 -0.38 0.09 -0.31 0.23 0.00 0.00 176.35 176.59 1wfv s TYR 39 N 2.27 2.64 -0.84 0.29 1.51 0.15 0.16 117.35 123.52 1wfv s TYR 39 Ca 0.17 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.57 1wfv s TYR 39 Cb -0.16 -1.59 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1wfv s TYR 39 CO 0.12 0.39 1.30 0.08 -1.11 0.00 0.00 175.55 176.34 1wfv s VAL 40 N -2.47 3.89 0.10 0.71 1.01 -1.22 0.11 120.40 122.54 1wfv s VAL 40 Ca 0.37 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 1wfv s VAL 40 Cb -0.01 -4.94 -0.08 0.00 0.00 0.00 0.00 36.38 31.35 1wfv s VAL 40 CO 0.21 -1.84 1.40 0.25 0.00 0.00 0.00 175.10 175.13 1wfv h LEU 41 N 12.67 -1.40 -8.24 3.92 7.12 -1.32 -3.33 115.31 124.73 1wfv h LEU 41 Ca -0.09 0.18 -0.11 0.00 0.13 0.00 0.00 57.88 58.00 1wfv h LEU 41 Cb 1.04 0.57 -0.05 0.00 -0.53 0.00 0.00 40.66 41.69 1wfv h LEU 41 CO 1.32 -0.29 0.01 0.00 -0.13 0.00 0.00 178.44 179.35 1wfv s ARG 42 N -4.94 1.91 0.09 1.25 1.04 -1.24 -4.83 118.95 112.24 1wfv s ARG 42 Ca -0.10 -1.46 0.07 0.00 -1.04 0.00 0.00 55.73 53.19 1wfv s ARG 42 Cb 0.06 0.52 -0.03 0.00 -2.04 0.00 0.00 34.95 33.46 1wfv s ARG 42 CO 0.45 -0.84 -0.18 -0.51 -0.04 0.00 0.00 175.30 174.19 1wfv s LEU 43 N -3.10 2.30 -0.24 -1.89 1.43 -1.26 -1.91 118.68 114.02 1wfv s LEU 43 Ca 0.22 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.42 1wfv s LEU 43 Cb -0.02 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1wfv s LEU 43 CO 0.13 -0.01 0.74 0.00 0.23 0.00 0.00 176.35 177.45 1wfv s ALA 44 N -1.30 3.62 0.57 4.21 0.00 0.13 -4.93 121.76 124.07 1wfv s ALA 44 Ca 0.04 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.02 1wfv s ALA 44 Cb -0.10 -3.16 1.67 0.00 0.00 0.00 0.00 23.12 21.53 1wfv s ALA 44 CO 0.04 -0.83 2.21 1.05 0.00 0.00 0.00 175.76 178.23 1wfv h GLU 45 N 7.71 0.00 -0.26 0.00 4.11 -1.99 -1.43 114.58 122.72 1wfv h GLU 45 Ca -0.26 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.02 1wfv h GLU 45 Cb 1.11 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1wfv h GLU 45 CO 0.82 0.00 -0.32 -3.47 0.07 0.00 0.00 179.01 176.11 1wfv n ASP 46 N -4.02 2.53 -4.75 3.06 2.03 -1.26 -4.95 116.55 109.18 1wfv n ASP 46 Ca -0.02 -3.84 -0.24 0.00 0.52 0.00 0.00 54.79 51.20 1wfv n ASP 46 Cb 0.11 -0.57 -0.07 0.00 -0.72 0.00 0.00 41.12 39.88 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 2.24 0.42 0.27 0.00 -0.54 -4.89 107.32 101.88 1wfv s GLY 47 Ca 0.43 -2.03 0.21 0.00 0.00 0.00 0.00 44.72 43.33 1wfv s GLY 47 CO -0.03 -1.86 1.84 -0.56 0.00 0.00 0.00 173.10 172.49 1wfv h PRO 48 N 1.40 0.00 0.21 2.90 0.13 -1.83 -3.24 132.00 131.57 1wfv h PRO 48 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1wfv h PRO 48 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wfv h PRO 48 CO 0.67 0.29 -0.10 0.00 -0.23 0.00 0.00 178.00 178.63 1wfv h ALA 49 N 1.71 -0.78 -0.43 -0.56 0.00 -1.77 -0.96 119.26 116.47 1wfv h ALA 49 Ca -0.00 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1wfv h ALA 49 Cb 0.71 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wfv h ALA 49 CO 0.04 -0.76 0.79 0.97 0.00 0.00 0.00 179.25 180.29 1wfv h ILE 50 N -0.37 0.09 0.02 0.00 2.10 -1.71 1.39 117.51 119.04 1wfv h ILE 50 Ca -0.03 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.64 1wfv h ILE 50 Cb 0.22 0.31 -0.04 0.00 -1.09 0.00 0.00 36.82 36.22 1wfv h ILE 50 CO 0.05 0.00 -1.45 0.03 -1.08 0.00 0.00 178.15 175.69 1wfv h ARG 51 N 0.00 0.05 0.87 2.19 3.08 -1.55 -3.37 114.38 115.66 1wfv h ARG 51 Ca 0.20 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1wfv h ARG 51 Cb 1.78 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1wfv h ARG 51 CO -0.00 0.79 -0.47 -0.97 -1.07 0.00 0.00 179.97 178.24 1wfv h ASN 52 N 0.01 -1.15 0.00 7.04 -1.24 0.33 -3.47 115.58 117.10 1wfv h ASN 52 Ca -0.19 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1wfv h ASN 52 Cb 1.93 0.32 0.00 0.00 0.73 0.00 0.00 38.32 41.30 1wfv h ASN 52 CO 0.11 -0.76 0.00 0.61 -1.29 0.00 0.00 177.43 176.10 1wfv n GLY 53 N -1.63 2.83 0.29 1.57 0.00 -1.13 -4.84 105.19 102.28 1wfv n GLY 53 Ca -0.15 -0.71 0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.02 -4.74 1.61 5.12 -1.26 -4.03 116.66 113.34 1wfv n ARG 54 Ca 0.00 0.77 -0.27 0.00 -1.93 0.00 0.00 57.85 56.42 1wfv n ARG 54 Cb 0.00 -1.52 -0.14 0.00 -1.16 0.00 0.00 32.46 29.64 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 -4.61 1.52 0.32 5.56 0.23 -1.26 -4.96 119.30 116.10 1wfv s MET 55 Ca -0.05 -0.97 0.07 0.00 -1.03 0.00 0.00 55.69 53.71 1wfv s MET 55 Cb 0.19 -1.64 -0.02 0.00 -1.53 0.00 0.00 34.83 31.83 1wfv s MET 55 CO 0.50 0.42 0.24 0.54 -2.03 0.00 0.00 175.02 174.69 1wfv n ARG 56 N 1.88 0.42 -2.71 3.16 3.00 -1.26 -4.82 116.66 116.33 1wfv n ARG 56 Ca -0.17 -3.11 -0.42 0.00 -0.01 0.00 0.00 57.85 54.14 1wfv n ARG 56 Cb 0.53 2.38 -0.03 0.00 0.00 0.00 0.00 32.46 35.33 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 -3.20 4.78 0.00 1.55 1.01 -1.26 -3.93 120.40 119.35 1wfv s VAL 57 Ca 0.33 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.37 1wfv s VAL 57 Cb 0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1wfv s VAL 57 CO 0.24 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1wfv n GLY 58 N 2.76 1.93 3.76 4.51 0.00 -1.25 -5.08 105.19 111.82 1wfv n GLY 58 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 4.30 -0.19 1.61 1.01 -1.25 -4.95 116.67 115.19 1wfv s ASP 59 Ca 0.00 -1.30 0.01 0.00 0.71 0.00 0.00 52.55 51.97 1wfv s ASP 59 Cb 0.00 -0.06 0.03 0.00 1.01 0.00 0.00 42.92 43.90 1wfv s ASP 59 CO 0.00 -0.71 -0.16 -1.58 0.21 0.00 0.00 175.17 172.94 1wfv s GLN 60 N -3.94 2.57 -0.24 8.23 -0.44 -1.26 -3.37 119.66 121.21 1wfv s GLN 60 Ca 0.30 -0.88 -0.23 0.00 -2.50 0.00 0.00 55.36 52.06 1wfv s GLN 60 Cb 0.03 -2.52 -0.01 0.00 -1.64 0.00 0.00 33.01 28.87 1wfv s GLN 60 CO 0.17 -0.32 0.74 0.42 0.50 0.00 0.00 175.29 176.80 1wfv s ILE 61 N 1.31 4.91 -0.18 -2.34 1.01 0.12 -3.55 121.20 122.49 1wfv s ILE 61 Ca 0.01 1.38 0.16 0.00 0.00 0.00 0.00 60.65 62.21 1wfv s ILE 61 Cb -0.15 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 38.04 1wfv s ILE 61 CO -0.10 -0.02 0.16 2.30 0.00 0.00 0.00 174.94 177.28 1wfv n ILE 62 N 5.15 1.43 -4.26 2.92 -0.00 -0.63 -3.95 119.36 120.04 1wfv n ILE 62 Ca 0.03 -0.84 -0.20 0.00 -0.00 0.00 0.00 62.75 61.74 1wfv n ILE 62 Cb 0.48 -0.60 -0.13 0.00 -0.00 0.00 0.00 39.64 39.39 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 -2.51 0.90 -0.18 6.28 2.12 -1.20 -2.67 118.70 121.44 1wfv s GLU 63 Ca -0.10 -0.91 -0.05 0.00 0.36 0.00 0.00 54.97 54.27 1wfv s GLU 63 Cb 0.06 -0.94 0.06 0.00 0.26 0.00 0.00 34.13 33.58 1wfv s GLU 63 CO 0.82 0.22 0.09 0.42 -0.54 0.00 0.00 175.26 176.27 1wfv s ILE 64 N -1.11 -0.07 -1.40 -3.70 1.01 -0.94 -1.42 121.20 113.58 1wfv s ILE 64 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1wfv s ILE 64 Cb -0.09 -0.62 0.04 0.00 0.01 0.00 0.00 42.46 41.80 1wfv s ILE 64 CO 0.02 -0.32 0.96 0.59 0.00 0.00 0.00 174.94 176.20 1wfv n ASN 65 N 5.27 -3.95 -3.02 3.58 3.02 0.06 -1.87 115.26 118.35 1wfv n ASN 65 Ca -0.07 -0.71 -0.19 0.00 -0.03 0.00 0.00 54.58 53.57 1wfv n ASN 65 Cb 0.48 -4.34 0.07 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.68 -0.26 2.80 7.41 0.00 -1.26 -5.02 105.19 107.19 1wfv n GLY 66 Ca -0.09 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.02 0.28 0.09 1.61 0.41 -0.78 -5.12 118.70 109.17 1wfv s GLU 67 Ca 0.45 0.11 -0.33 0.00 -0.41 0.00 0.00 54.97 54.79 1wfv s GLU 67 Cb -0.20 -0.51 -0.12 0.00 -1.78 0.00 0.00 34.13 31.52 1wfv s GLU 67 CO 0.59 -0.17 1.74 0.43 -0.49 0.00 0.00 175.26 177.37 1wfv n SER 68 N 4.31 3.49 -2.63 -0.19 7.64 -1.26 -2.21 113.62 122.78 1wfv n SER 68 Ca -0.23 1.03 -0.35 0.00 1.01 0.00 0.00 58.87 60.33 1wfv n SER 68 Cb 0.50 -1.45 0.04 0.00 -1.01 0.00 0.00 64.21 62.29 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 4.26 3.24 -0.10 0.44 -2.24 -1.09 -4.51 114.28 114.28 1wfv n THR 69 Ca 0.19 -4.16 -0.13 0.00 -2.27 0.00 0.00 64.05 57.68 1wfv n THR 69 Cb 0.32 -1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 67.23 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 -0.62 0.68 -2.33 -0.78 3.00 -1.26 -4.65 116.66 110.70 1wfv n ARG 70 Ca 0.52 0.09 -0.24 0.00 -0.00 0.00 0.00 57.85 58.21 1wfv n ARG 70 Cb 0.47 -1.40 0.01 0.00 0.00 0.00 0.00 32.46 31.54 1wfv n ARG 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1wfv n ASP 71 N -2.99 4.58 -4.37 6.15 8.00 -1.26 -4.88 116.55 121.78 1wfv n ASP 71 Ca -0.33 -3.65 -0.25 0.00 0.71 0.00 0.00 54.79 51.27 1wfv n ASP 71 Cb 0.90 -0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wfv s MET 72 N -3.55 1.36 -0.03 -1.24 -1.94 -1.26 -4.99 119.30 107.64 1wfv s MET 72 Ca 0.48 -1.39 -0.06 0.00 -1.71 0.00 0.00 55.69 53.01 1wfv s MET 72 Cb 0.40 -1.64 -0.04 0.00 2.01 0.00 0.00 34.83 35.56 1wfv s MET 72 CO -0.09 0.36 0.21 0.95 -0.01 0.00 0.00 175.02 176.44 1wfv s THR 73 N -1.53 5.40 0.31 2.05 -4.23 -1.26 0.13 115.64 116.50 1wfv s THR 73 Ca 0.15 0.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.97 1wfv s THR 73 Cb -0.08 -3.52 0.35 0.00 1.34 0.00 0.00 72.50 70.59 1wfv s THR 73 CO 0.07 0.43 1.09 1.57 -0.54 0.00 0.00 174.62 177.24 1wfv n HIS 74 N 1.31 0.50 0.12 3.99 -0.00 -1.24 0.18 115.22 120.08 1wfv n HIS 74 Ca -0.14 0.51 -0.14 0.00 0.46 0.00 0.00 57.72 58.41 1wfv n HIS 74 Cb 0.53 -0.90 -0.08 0.00 -0.12 0.00 0.00 29.99 29.42 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 1.12 -0.28 -0.64 1.57 0.00 -1.92 -2.59 119.26 116.52 1wfv h ALA 75 Ca 0.62 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.53 1wfv h ALA 75 Cb 1.98 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.77 1wfv h ALA 75 CO -0.33 -0.56 -0.03 -0.09 0.00 0.00 0.00 179.25 178.24 1wfv h ARG 76 N -0.48 0.08 -0.26 0.00 9.65 0.15 -0.61 114.38 122.92 1wfv h ARG 76 Ca -0.03 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 1wfv h ARG 76 Cb 0.36 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1wfv h ARG 76 CO 0.05 0.06 0.04 0.00 2.80 0.00 0.00 179.97 182.91 1wfv h ALA 77 N 1.60 0.26 0.00 2.80 0.00 -1.44 0.53 119.26 123.01 1wfv h ALA 77 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wfv h ALA 77 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wfv h ALA 77 CO -0.58 -0.38 0.00 -0.89 0.00 0.00 0.00 179.25 177.40 1wfv n ILE 78 N -5.10 1.31 -0.03 0.00 2.08 -0.32 -1.84 119.36 115.47 1wfv n ILE 78 Ca -0.01 0.59 -0.21 0.00 0.56 0.00 0.00 62.75 63.68 1wfv n ILE 78 Cb 0.12 -1.57 -0.13 0.00 -0.75 0.00 0.00 39.64 37.31 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 -1.98 0.72 -0.26 0.38 4.07 0.06 -4.14 120.64 119.49 1wfv n GLU 79 Ca -0.00 0.27 -0.07 0.00 -0.06 0.00 0.00 57.16 57.30 1wfv n GLU 79 Cb 0.05 -1.68 0.05 0.00 -0.06 0.00 0.00 31.44 29.80 1wfv n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wfv h LEU 80 N -0.05 1.03 -1.46 4.31 3.38 -0.45 0.48 115.31 122.54 1wfv h LEU 80 Ca -0.45 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.46 1wfv h LEU 80 Cb 1.94 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 42.37 1wfv h LEU 80 CO 0.02 0.95 0.52 0.40 0.09 0.00 0.00 178.44 180.42 1wfv h ILE 81 N 1.04 0.84 0.00 1.22 2.04 -1.61 -0.34 117.51 120.71 1wfv h ILE 81 Ca 0.23 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1wfv h ILE 81 Cb 0.28 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1wfv h ILE 81 CO -0.01 0.10 -1.33 2.29 0.00 0.00 0.00 178.15 179.20 1wfv n LYS 82 N -4.51 0.31 0.07 2.37 2.85 -0.97 -4.23 118.16 114.06 1wfv n LYS 82 Ca 0.15 -0.06 -0.08 0.00 -1.05 0.00 0.00 58.31 57.26 1wfv n LYS 82 Cb 0.47 -1.54 0.04 0.00 -0.65 0.00 0.00 35.03 33.35 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 0.34 -0.10 -5.58 0.87 0.16 -3.21 113.55 106.03 1wfv h SER 83 Ca 0.00 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.19 1wfv h SER 83 Cb 0.74 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1wfv h SER 83 CO 0.00 0.97 -0.40 1.23 -0.53 0.00 0.00 176.83 178.10 1wfv h GLY 84 N 1.52 0.69 0.00 5.77 0.00 -1.44 -3.50 103.07 106.12 1wfv h GLY 84 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1wfv h GLY 84 CO 0.12 0.63 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1wfv n GLY 85 N 0.02 0.31 0.08 4.60 0.00 -1.21 -4.72 105.19 104.26 1wfv n GLY 85 Ca -0.02 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 0.46 -4.51 1.61 1.74 -1.26 -4.73 116.66 109.97 1wfv n ARG 86 Ca 0.00 0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 1wfv n ARG 86 Cb 0.00 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 29.57 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 -3.29 3.18 0.05 5.56 0.52 -1.26 0.18 118.95 123.90 1wfv s ARG 87 Ca 0.02 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1wfv s ARG 87 Cb 0.12 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1wfv s ARG 87 CO 0.78 -0.01 -0.26 0.54 0.02 0.00 0.00 175.30 176.37 1wfv s VAL 88 N 0.86 2.16 -0.17 3.52 0.11 -0.95 -4.81 120.40 121.11 1wfv s VAL 88 Ca -0.05 -1.40 -0.03 0.00 -2.93 0.00 0.00 61.98 57.57 1wfv s VAL 88 Cb -0.15 -1.84 0.05 0.00 -1.53 0.00 0.00 36.38 32.91 1wfv s VAL 88 CO -0.01 0.36 0.03 -0.60 -3.33 0.00 0.00 175.10 171.55 1wfv s ARG 89 N -1.28 0.61 0.09 1.54 3.52 -1.26 -2.83 118.95 119.34 1wfv s ARG 89 Ca 0.12 -0.31 0.08 0.00 -0.13 0.00 0.00 55.73 55.49 1wfv s ARG 89 Cb -0.10 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.35 1wfv s ARG 89 CO 0.02 -0.59 -0.22 -0.48 -0.81 0.00 0.00 175.30 173.23 1wfv s LEU 90 N 1.90 2.26 -0.31 -0.88 2.34 -1.19 -0.76 118.68 122.03 1wfv s LEU 90 Ca 0.00 -0.65 -0.23 0.00 0.06 0.00 0.00 54.13 53.31 1wfv s LEU 90 Cb -0.16 -0.97 0.00 0.00 -0.56 0.00 0.00 46.19 44.50 1wfv s LEU 90 CO -0.08 0.11 0.78 -0.22 -1.06 0.00 0.00 176.35 175.89 1wfv s LEU 91 N -1.72 4.09 0.12 1.48 0.20 -0.51 -0.55 118.68 121.79 1wfv s LEU 91 Ca 0.08 0.63 0.08 0.00 0.69 0.00 0.00 54.13 55.61 1wfv s LEU 91 Cb -0.10 -3.06 -0.04 0.00 -0.43 0.00 0.00 46.19 42.56 1wfv s LEU 91 CO 0.04 -0.62 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.07 1wfv s LEU 92 N 2.96 2.35 -0.05 -0.68 2.96 0.30 -1.60 118.68 124.91 1wfv s LEU 92 Ca 0.32 -0.74 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1wfv s LEU 92 Cb -0.14 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.78 1wfv s LEU 92 CO 0.13 -0.01 -0.06 -1.59 -1.32 0.00 0.00 176.35 173.50 1wfv s LYS 93 N -2.23 1.05 0.07 1.98 -2.85 -1.23 -2.69 119.74 113.84 1wfv s LYS 93 Ca 0.08 -0.18 0.04 0.00 -1.00 0.00 0.00 55.97 54.91 1wfv s LYS 93 Cb -0.08 -1.00 -0.04 0.00 -2.06 0.00 0.00 37.83 34.65 1wfv s LYS 93 CO 0.05 -0.06 0.02 0.50 0.10 0.00 0.00 175.35 175.95 1wfv s ARG 94 N 0.89 2.67 -0.01 1.78 6.06 -1.26 -4.03 118.95 125.04 1wfv s ARG 94 Ca -0.11 -0.76 -0.21 0.00 -2.50 0.00 0.00 55.73 52.14 1wfv s ARG 94 Cb -0.15 -2.61 -0.23 0.00 0.06 0.00 0.00 34.95 32.03 1wfv s ARG 94 CO 0.01 0.56 1.08 0.78 -2.50 0.00 0.00 175.30 175.23 1wfv h GLY 95 N 3.56 0.37 -3.40 8.12 0.00 -1.97 -3.39 103.07 106.37 1wfv h GLY 95 Ca -0.48 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1wfv h GLY 95 CO 0.61 0.56 0.00 -0.37 0.00 0.00 0.00 176.54 177.34 1wfv n THR 96 N -4.32 0.00 -1.55 4.70 5.66 -1.26 -4.70 114.28 112.80 1wfv n THR 96 Ca -0.10 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.70 1wfv n THR 96 Cb 0.61 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 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 -0.24 -0.07 2.89 1.09 0.00 -1.26 -4.88 105.19 102.71 1wfv n GLY 97 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 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 17.53 -4.07 -3.57 1.61 2.88 -1.26 -5.00 113.62 121.74 1wfv n SER 98 Ca 0.45 0.45 -0.14 0.00 -1.33 0.00 0.00 58.87 58.31 1wfv n SER 98 Cb 0.45 -0.75 -0.06 0.00 -0.75 0.00 0.00 64.21 63.10 1wfv n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfv s GLY 99 N -0.91 -0.42 0.00 0.46 0.00 -1.26 -5.01 107.32 100.17 1wfv s GLY 99 Ca 0.47 1.80 0.08 0.00 0.00 0.00 0.00 44.72 47.07 1wfv s GLY 99 CO 0.65 1.19 0.94 -1.55 0.00 0.00 0.00 173.10 174.33 1wfv n PRO 100 N 1.24 0.49 -0.44 2.90 -0.04 -1.26 -3.58 135.00 134.31 1wfv n PRO 100 Ca -0.15 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.25 1wfv n PRO 100 Cb 0.57 -1.26 0.04 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.76 4.15 -0.19 3.54 3.41 -1.26 -4.48 113.62 118.03 1wfv n SER 101 Ca 0.06 -2.52 -0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1wfv n SER 101 Cb 0.03 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1wfv n SER 101 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfv h SER 102 N 0.60 -0.20 -0.03 4.04 0.87 -2.03 -3.56 113.55 113.24 1wfv h SER 102 Ca 0.15 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1wfv h SER 102 Cb 1.28 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1wfv h SER 102 CO 0.31 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.15