#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 6.68 -0.06 1.61 1.04 -1.26 -4.80 113.70 116.90 1wfv s SER 2 Ca 0.00 -2.01 -0.25 0.00 0.48 0.00 0.00 55.95 54.17 1wfv s SER 2 Cb 0.00 -2.50 -0.23 0.00 0.10 0.00 0.00 66.02 63.39 1wfv s SER 2 CO 0.00 -1.22 1.02 0.28 0.98 0.00 0.00 173.24 174.30 1wfv h SER 3 N 8.76 0.15 -3.41 7.02 0.02 -2.13 -3.44 113.55 120.51 1wfv h SER 3 Ca 0.25 -0.77 -0.52 0.00 -0.84 0.00 0.00 61.79 59.90 1wfv h SER 3 Cb 0.97 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.48 1wfv h SER 3 CO 1.32 0.91 0.55 -0.83 -1.14 0.00 0.00 176.83 177.63 1wfv s GLY 4 N -3.86 2.62 -0.02 -3.77 0.00 -1.26 -5.01 107.32 96.02 1wfv s GLY 4 Ca -0.16 0.91 -0.23 0.00 0.00 0.00 0.00 44.72 45.24 1wfv s GLY 4 CO 0.72 1.88 0.69 -0.45 0.00 0.00 0.00 173.10 175.94 1wfv s SER 5 N 0.33 7.04 0.14 1.64 0.15 -1.26 -5.05 113.70 116.69 1wfv s SER 5 Ca 0.54 1.25 -0.19 0.00 0.70 0.00 0.00 55.95 58.25 1wfv s SER 5 Cb -0.32 -2.41 0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1wfv s SER 5 CO 0.35 -0.02 0.49 -0.94 1.20 0.00 0.00 173.24 174.32 1wfv s SER 6 N 0.29 -0.38 0.35 5.45 1.04 -1.26 -5.19 113.70 113.99 1wfv s SER 6 Ca 0.36 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 1wfv s SER 6 Cb -0.19 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1wfv s SER 6 CO 0.19 -0.90 0.64 -0.83 0.98 0.00 0.00 173.24 173.32 1wfv s GLY 7 N -2.77 0.73 -0.69 7.32 0.00 -1.26 -5.10 107.32 105.55 1wfv s GLY 7 Ca 0.02 -0.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 1wfv s GLY 7 CO -0.12 -0.56 1.44 1.20 0.00 0.00 0.00 173.10 175.06 1wfv s GLN 8 N -2.88 3.04 0.46 2.90 -0.21 -1.26 -4.97 119.66 116.75 1wfv s GLN 8 Ca 0.21 0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.65 1wfv s GLN 8 Cb -0.03 -4.23 -0.02 0.00 1.00 0.00 0.00 33.01 29.72 1wfv s GLN 8 CO 0.14 -2.29 0.04 0.16 -2.12 0.00 0.00 175.29 171.22 1wfv s ASP 9 N 4.96 3.62 -0.03 5.90 1.47 -1.26 -5.09 116.67 126.24 1wfv s ASP 9 Ca 0.45 -1.63 -0.01 0.00 1.18 0.00 0.00 52.55 52.54 1wfv s ASP 9 Cb -0.09 0.41 -0.01 0.00 -0.34 0.00 0.00 42.92 42.89 1wfv s ASP 9 CO 0.17 -0.83 -0.04 0.49 0.68 0.00 0.00 175.17 175.64 1wfv n PHE 10 N -1.10 0.00 -3.42 2.11 3.01 -1.26 -5.07 117.46 111.72 1wfv n PHE 10 Ca -0.13 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.34 1wfv n PHE 10 Cb 0.66 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.99 1wfv n PHE 10 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wfv s ASP 11 N -5.09 -0.75 -1.06 4.37 -1.08 -1.26 -4.96 116.67 106.84 1wfv s ASP 11 Ca -0.04 0.94 -0.11 0.00 -0.52 0.00 0.00 52.55 52.82 1wfv s ASP 11 Cb 0.01 1.82 0.25 0.00 -1.46 0.00 0.00 42.92 43.55 1wfv s ASP 11 CO 0.05 -0.14 1.07 -0.31 0.52 0.00 0.00 175.17 176.36 1wfv s TYR 12 N 2.61 4.09 0.09 -5.34 2.02 -1.26 -3.67 117.35 115.89 1wfv s TYR 12 Ca -0.02 -2.48 0.07 0.00 -0.37 0.00 0.00 57.07 54.27 1wfv s TYR 12 Cb -0.08 -3.88 -0.04 0.00 -0.40 0.00 0.00 41.96 37.56 1wfv s TYR 12 CO -0.18 -1.01 -0.12 -0.59 -1.57 0.00 0.00 175.55 172.09 1wfv s PHE 13 N -0.66 2.70 0.40 2.71 -0.71 -1.08 -5.00 117.98 116.34 1wfv s PHE 13 Ca 0.29 -0.17 -0.01 0.00 -1.04 0.00 0.00 56.93 55.99 1wfv s PHE 13 Cb -0.09 -1.44 -0.03 0.00 -1.21 0.00 0.00 43.02 40.25 1wfv s PHE 13 CO -0.08 0.40 0.64 0.95 -1.34 0.00 0.00 175.22 175.79 1wfv s THR 14 N -1.15 4.95 0.10 -4.49 -4.23 -1.26 -0.82 115.64 108.73 1wfv s THR 14 Ca 0.20 -0.24 0.10 0.00 -1.18 0.00 0.00 61.69 60.56 1wfv s THR 14 Cb -0.11 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 1wfv s THR 14 CO 0.12 -0.64 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.63 1wfv s VAL 15 N -2.48 2.47 -0.08 2.29 1.01 0.30 -4.83 120.40 119.07 1wfv s VAL 15 Ca 0.43 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1wfv s VAL 15 Cb -0.10 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1wfv s VAL 15 CO 0.39 0.17 0.02 -0.62 0.00 0.00 0.00 175.10 175.06 1wfv s ASP 16 N -1.88 1.70 0.24 3.32 2.15 -1.26 -3.41 116.67 117.53 1wfv s ASP 16 Ca 0.15 -0.16 -0.13 0.00 0.43 0.00 0.00 52.55 52.83 1wfv s ASP 16 Cb -0.10 -0.41 -0.00 0.00 -0.30 0.00 0.00 42.92 42.11 1wfv s ASP 16 CO 0.06 -0.22 0.48 -0.04 -0.17 0.00 0.00 175.17 175.28 1wfv s MET 17 N 1.99 1.51 0.46 4.34 -1.94 -1.11 -4.93 119.30 119.62 1wfv s MET 17 Ca 0.04 -1.19 0.03 0.00 -1.71 0.00 0.00 55.69 52.86 1wfv s MET 17 Cb -0.13 0.47 -0.04 0.00 2.01 0.00 0.00 34.83 37.15 1wfv s MET 17 CO -0.05 -0.63 0.02 -1.21 -0.01 0.00 0.00 175.02 173.14 1wfv s GLU 18 N -3.99 2.07 0.39 2.03 2.02 -1.26 -1.69 118.70 118.26 1wfv s GLU 18 Ca 0.20 -2.26 -0.14 0.00 0.02 0.00 0.00 54.97 52.79 1wfv s GLU 18 Cb -0.01 -1.46 -0.08 0.00 0.10 0.00 0.00 34.13 32.68 1wfv s GLU 18 CO 0.07 -0.25 0.80 0.21 0.02 0.00 0.00 175.26 176.11 1wfv s LYS 19 N -3.81 3.93 0.00 1.61 2.20 0.48 -4.31 119.74 119.84 1wfv s LYS 19 Ca 0.19 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1wfv s LYS 19 Cb 0.05 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1wfv s LYS 19 CO 0.10 0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1wfv n GLY 20 N -0.94 7.02 0.17 5.54 0.00 0.29 -4.84 105.19 112.44 1wfv n GLY 20 Ca 0.04 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.08 -0.47 4.61 0.00 -1.98 -2.81 119.26 119.52 1wfv h ALA 21 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1wfv h ALA 21 Cb 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 1wfv h ALA 21 CO 0.00 -0.59 0.07 1.17 0.00 0.00 0.00 179.25 179.90 1wfv n LYS 22 N -5.26 2.09 0.00 0.00 4.81 -1.26 -5.07 118.16 113.48 1wfv n LYS 22 Ca -0.04 -3.12 0.00 0.00 -0.87 0.00 0.00 58.31 54.28 1wfv n LYS 22 Cb 0.18 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1wfv n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfv n GLY 23 N -1.03 -0.79 0.07 3.14 0.00 -1.06 -4.51 105.19 101.00 1wfv n GLY 23 Ca 0.37 -2.17 0.06 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.34 -2.75 1.61 3.72 -1.26 0.11 117.46 119.22 1wfv n PHE 24 Ca 0.00 0.16 -0.07 0.00 -0.05 0.00 0.00 57.45 57.49 1wfv n PHE 24 Cb 0.00 -0.76 0.02 0.00 -0.94 0.00 0.00 39.48 37.80 1wfv n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wfv n GLY 25 N -0.95 0.49 3.36 1.37 0.00 -1.26 -1.37 105.19 106.83 1wfv n GLY 25 Ca 0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.02 -0.45 0.24 1.61 -0.12 -1.26 0.32 117.98 115.30 1wfv s PHE 26 Ca 0.15 1.00 0.10 0.00 -0.05 0.00 0.00 56.93 58.14 1wfv s PHE 26 Cb -0.07 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.46 1wfv s PHE 26 CO 0.19 -0.33 -0.18 0.45 -0.05 0.00 0.00 175.22 175.29 1wfv s SER 27 N -0.34 3.21 0.41 1.98 0.15 -0.78 -5.01 113.70 113.32 1wfv s SER 27 Ca -0.05 -1.01 0.07 0.00 0.70 0.00 0.00 55.95 55.66 1wfv s SER 27 Cb -0.03 -0.24 -0.07 0.00 -1.71 0.00 0.00 66.02 63.97 1wfv s SER 27 CO 0.03 -0.03 0.05 0.27 1.20 0.00 0.00 173.24 174.76 1wfv s ILE 28 N -2.58 2.07 0.16 6.45 -4.36 -1.26 -0.80 121.20 120.88 1wfv s ILE 28 Ca 0.26 -1.93 -0.07 0.00 -0.26 0.00 0.00 60.65 58.65 1wfv s ILE 28 Cb -0.04 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 1wfv s ILE 28 CO 0.12 -0.00 0.24 0.00 0.24 0.00 0.00 174.94 175.54 1wfv s ARG 29 N -3.75 1.13 1.34 0.37 1.70 0.30 -4.19 118.95 115.84 1wfv s ARG 29 Ca 0.36 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 1wfv s ARG 29 Cb 0.09 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1wfv s ARG 29 CO 0.19 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.42 1wfv n GLY 30 N -0.20 -1.75 0.00 3.88 0.00 -1.26 -1.16 105.19 104.70 1wfv n GLY 30 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 2.56 0.43 -0.02 0.00 0.33 -3.85 105.19 104.64 1wfv n GLY 31 Ca 0.00 -1.95 0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.69 1.61 2.47 -1.17 0.25 114.38 116.85 1wfv h ARG 32 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1wfv h ARG 32 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1wfv h ARG 32 CO 0.00 0.00 0.33 1.49 0.56 0.00 0.00 179.97 182.35 1wfv h GLU 33 N 0.00 0.99 -0.48 0.04 4.57 -1.88 -2.52 114.58 115.31 1wfv h GLU 33 Ca 0.31 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1wfv h GLU 33 Cb 1.41 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1wfv h GLU 33 CO -0.00 0.77 0.00 0.66 -1.18 0.00 0.00 179.01 179.25 1wfv n TYR 34 N -4.33 0.63 -3.63 0.92 4.01 0.65 -4.97 117.16 110.43 1wfv n TYR 34 Ca 0.07 -0.48 -0.21 0.00 -0.16 0.00 0.00 57.90 57.11 1wfv n TYR 34 Cb 0.14 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.93 -5.62 -3.79 -0.72 4.76 0.19 -4.87 118.16 109.04 1wfv n LYS 35 Ca 0.16 0.70 -0.10 0.00 -2.87 0.00 0.00 58.31 56.20 1wfv n LYS 35 Cb 0.49 -5.44 -0.05 0.00 -1.84 0.00 0.00 35.03 28.19 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 -5.86 1.14 1.02 1.97 0.23 -0.83 -4.97 119.30 111.99 1wfv s MET 36 Ca 0.08 -0.93 -0.12 0.00 -1.03 0.00 0.00 55.69 53.69 1wfv s MET 36 Cb -0.04 0.43 0.20 0.00 -1.53 0.00 0.00 34.83 33.89 1wfv s MET 36 CO 0.79 -0.44 1.08 -0.51 -2.03 0.00 0.00 175.02 173.91 1wfv s ASP 37 N -2.88 2.41 -0.27 -1.18 1.01 -1.26 -0.51 116.67 113.99 1wfv s ASP 37 Ca 0.09 1.32 -0.16 0.00 0.71 0.00 0.00 52.55 54.51 1wfv s ASP 37 Cb 0.02 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 1wfv s ASP 37 CO -0.06 -3.28 0.44 -0.76 0.21 0.00 0.00 175.17 171.71 1wfv s LEU 38 N -6.58 4.05 0.38 1.23 1.43 -1.25 -3.21 118.68 114.72 1wfv s LEU 38 Ca 0.66 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 1wfv s LEU 38 Cb -0.20 -2.53 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 1wfv s LEU 38 CO 0.59 -0.23 -0.02 -0.31 0.23 0.00 0.00 176.35 176.60 1wfv s TYR 39 N 2.18 2.45 -0.78 0.29 1.51 -0.31 0.10 117.35 122.80 1wfv s TYR 39 Ca 0.18 -0.63 -0.25 0.00 -1.01 0.00 0.00 57.07 55.36 1wfv s TYR 39 Cb -0.16 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 1wfv s TYR 39 CO 0.10 0.47 1.24 0.08 -1.11 0.00 0.00 175.55 176.32 1wfv s VAL 40 N -2.71 3.92 0.07 0.71 1.01 -1.19 0.11 120.40 122.32 1wfv s VAL 40 Ca 0.34 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 1wfv s VAL 40 Cb 0.07 -4.89 -0.07 0.00 0.00 0.00 0.00 36.38 31.50 1wfv s VAL 40 CO 0.17 -1.78 1.31 0.25 0.00 0.00 0.00 175.10 175.06 1wfv h LEU 41 N 12.53 -0.99 -8.43 3.92 7.12 -1.13 -3.32 115.31 125.01 1wfv h LEU 41 Ca -0.19 0.12 -0.22 0.00 0.13 0.00 0.00 57.88 57.73 1wfv h LEU 41 Cb 1.05 0.39 -0.07 0.00 -0.53 0.00 0.00 40.66 41.50 1wfv h LEU 41 CO 1.28 -0.27 -0.13 0.00 -0.13 0.00 0.00 178.44 179.19 1wfv s ARG 42 N -4.52 1.90 0.08 1.25 1.04 -1.23 -4.84 118.95 112.63 1wfv s ARG 42 Ca -0.09 -1.66 0.05 0.00 -1.04 0.00 0.00 55.73 53.00 1wfv s ARG 42 Cb 0.04 0.47 -0.03 0.00 -2.04 0.00 0.00 34.95 33.39 1wfv s ARG 42 CO 0.34 -0.80 -0.14 -0.51 -0.04 0.00 0.00 175.30 174.16 1wfv s LEU 43 N -3.19 2.31 -0.36 -1.89 1.43 -1.26 -1.86 118.68 113.85 1wfv s LEU 43 Ca 0.28 -0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 1wfv s LEU 43 Cb -0.01 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.70 1wfv s LEU 43 CO 0.18 -0.10 0.63 0.00 0.23 0.00 0.00 176.35 177.29 1wfv s ALA 44 N -1.49 3.45 0.58 4.21 0.00 0.15 -4.92 121.76 123.74 1wfv s ALA 44 Ca 0.00 -0.90 0.28 0.00 0.00 0.00 0.00 51.96 51.35 1wfv s ALA 44 Cb -0.09 -3.17 1.59 0.00 0.00 0.00 0.00 23.12 21.45 1wfv s ALA 44 CO 0.02 -1.37 2.05 1.05 0.00 0.00 0.00 175.76 177.51 1wfv h GLU 45 N 8.50 0.00 -0.27 0.00 9.09 -1.98 0.21 114.58 130.13 1wfv h GLU 45 Ca -0.26 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.10 1wfv h GLU 45 Cb 1.11 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.18 1wfv h GLU 45 CO 0.84 0.00 -0.01 -0.40 0.05 0.00 0.00 179.01 179.49 1wfv n ASP 46 N -3.83 3.49 -4.90 3.06 5.75 -1.26 -4.94 116.55 113.92 1wfv n ASP 46 Ca 0.04 -3.18 -0.21 0.00 -0.01 0.00 0.00 54.79 51.42 1wfv n ASP 46 Cb 0.42 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.12 1.53 0.47 6.12 0.00 0.73 -4.90 107.32 109.15 1wfv s GLY 47 Ca 0.42 -1.47 0.26 0.00 0.00 0.00 0.00 44.72 43.93 1wfv s GLY 47 CO 0.07 -1.44 1.90 -0.56 0.00 0.00 0.00 173.10 173.07 1wfv h PRO 48 N 1.21 0.00 0.48 2.90 0.13 -1.80 -3.22 132.00 131.70 1wfv h PRO 48 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.58 0.19 -0.23 0.00 -0.23 0.00 0.00 178.00 178.31 1wfv h ALA 49 N 1.81 -0.73 0.00 -0.56 0.00 -1.47 -2.33 119.26 115.99 1wfv h ALA 49 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wfv h ALA 49 Cb 0.63 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wfv h ALA 49 CO 0.02 -0.68 0.36 0.97 0.00 0.00 0.00 179.25 179.92 1wfv h ILE 50 N -1.03 0.00 0.00 0.00 2.10 -1.73 0.68 117.51 117.53 1wfv h ILE 50 Ca -0.07 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.63 1wfv h ILE 50 Cb 0.50 0.47 -0.04 0.00 -1.09 0.00 0.00 36.82 36.65 1wfv h ILE 50 CO 0.11 0.00 -1.44 0.03 -1.08 0.00 0.00 178.15 175.77 1wfv h ARG 51 N 0.00 0.00 0.90 2.19 3.08 -1.54 -3.38 114.38 115.63 1wfv h ARG 51 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1wfv h ARG 51 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.79 1wfv h ARG 51 CO 0.00 0.58 -0.43 -2.95 -1.07 0.00 0.00 179.97 176.10 1wfv h ASN 52 N 0.00 -1.02 0.00 7.04 7.08 0.94 -3.48 115.58 126.15 1wfv h ASN 52 Ca -0.19 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.07 1wfv h ASN 52 Cb 1.87 0.26 0.00 0.00 -2.08 0.00 0.00 38.32 38.37 1wfv h ASN 52 CO 0.09 -0.69 0.00 0.61 -2.08 0.00 0.00 177.43 175.36 1wfv n GLY 53 N -1.36 3.16 0.01 9.14 0.00 -1.18 -4.95 105.19 110.02 1wfv n GLY 53 Ca -0.15 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.32 1.61 5.12 -1.26 -4.46 116.66 115.34 1wfv n ARG 54 Ca 0.00 0.61 -0.25 0.00 -1.93 0.00 0.00 57.85 56.27 1wfv n ARG 54 Cb 0.00 -0.91 0.10 0.00 -1.16 0.00 0.00 32.46 30.49 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 -3.07 1.81 0.01 5.56 0.23 -1.26 -4.98 119.30 117.60 1wfv s MET 55 Ca -0.00 -0.60 -0.16 0.00 -1.03 0.00 0.00 55.69 53.90 1wfv s MET 55 Cb 0.00 -2.20 0.05 0.00 -1.53 0.00 0.00 34.83 31.16 1wfv s MET 55 CO 0.01 -1.45 0.72 0.54 -2.03 0.00 0.00 175.02 172.82 1wfv n ARG 56 N -2.98 0.15 -2.78 3.16 1.74 -1.26 -4.93 116.66 109.76 1wfv n ARG 56 Ca 0.11 -0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 56.26 1wfv n ARG 56 Cb 0.60 0.81 -0.03 0.00 -1.02 0.00 0.00 32.46 32.82 1wfv n ARG 56 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wfv s VAL 57 N -2.10 4.88 0.00 1.55 1.01 -1.26 -3.54 120.40 120.93 1wfv s VAL 57 Ca 0.17 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.06 1wfv s VAL 57 Cb -0.01 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1wfv s VAL 57 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1wfv n GLY 58 N 3.04 0.78 3.92 4.51 0.00 -1.25 -4.93 105.19 111.26 1wfv n GLY 58 Ca 0.05 0.00 -0.27 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 -1.97 4.77 -0.21 1.61 1.01 -1.23 -3.98 116.67 116.67 1wfv s ASP 59 Ca 0.00 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.88 1wfv s ASP 59 Cb 0.00 -1.23 0.04 0.00 1.01 0.00 0.00 42.92 42.75 1wfv s ASP 59 CO 0.00 -1.67 -0.11 -1.58 0.21 0.00 0.00 175.17 172.02 1wfv s GLN 60 N -5.35 2.13 -0.11 8.23 -0.44 -1.25 -3.15 119.66 119.71 1wfv s GLN 60 Ca 0.60 -0.92 -0.29 0.00 -2.50 0.00 0.00 55.36 52.25 1wfv s GLN 60 Cb -0.11 -2.51 -0.01 0.00 -1.64 0.00 0.00 33.01 28.74 1wfv s GLN 60 CO 0.46 -0.44 0.98 0.42 0.50 0.00 0.00 175.29 177.22 1wfv s ILE 61 N 1.34 4.80 -0.16 -2.34 1.01 0.28 -3.24 121.20 122.90 1wfv s ILE 61 Ca -0.02 1.98 0.15 0.00 0.00 0.00 0.00 60.65 62.76 1wfv s ILE 61 Cb -0.17 -4.29 -0.21 0.00 0.01 0.00 0.00 42.46 37.81 1wfv s ILE 61 CO -0.08 0.01 0.07 2.30 0.00 0.00 0.00 174.94 177.24 1wfv n ILE 62 N 4.57 1.10 -4.07 2.92 -0.00 -0.62 -3.90 119.36 119.36 1wfv n ILE 62 Ca 0.08 -0.70 -0.13 0.00 -0.00 0.00 0.00 62.75 62.00 1wfv n ILE 62 Cb 0.49 -0.53 -0.11 0.00 -0.00 0.00 0.00 39.64 39.48 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 -2.43 0.56 -0.05 6.28 2.12 -1.15 -1.92 118.70 122.10 1wfv s GLU 63 Ca -0.08 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.44 1wfv s GLU 63 Cb 0.05 -0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.17 1wfv s GLU 63 CO 0.69 0.05 0.01 0.42 -0.54 0.00 0.00 175.26 175.88 1wfv s ILE 64 N -1.54 0.21 -1.45 -3.70 1.01 -0.88 -0.48 121.20 114.37 1wfv s ILE 64 Ca -0.08 0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1wfv s ILE 64 Cb -0.09 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.06 1wfv s ILE 64 CO 0.00 0.20 0.63 0.59 0.00 0.00 0.00 174.94 176.36 1wfv n ASN 65 N 4.75 -1.70 -2.67 3.58 3.02 0.13 -0.42 115.26 121.96 1wfv n ASN 65 Ca -0.14 -0.93 -0.22 0.00 -0.03 0.00 0.00 54.58 53.27 1wfv n ASN 65 Cb 0.50 -3.38 0.01 0.00 -0.61 0.00 0.00 39.78 36.30 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 -1.75 -0.51 2.77 7.41 0.00 -1.24 -4.97 105.19 106.89 1wfv n GLY 66 Ca -0.19 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.33 0.84 -0.36 1.61 2.02 0.45 -5.09 118.70 112.83 1wfv s GLU 67 Ca 0.13 -0.62 -0.41 0.00 0.02 0.00 0.00 54.97 54.10 1wfv s GLU 67 Cb -0.06 -2.18 -0.16 0.00 0.10 0.00 0.00 34.13 31.83 1wfv s GLU 67 CO 0.16 -0.68 1.84 -1.13 0.02 0.00 0.00 175.26 175.48 1wfv n SER 68 N 4.95 1.92 -2.10 -0.19 3.41 -1.26 -2.07 113.62 118.28 1wfv n SER 68 Ca -0.09 0.94 -0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1wfv n SER 68 Cb 0.46 -1.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.19 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 5.16 2.51 -3.95 6.66 -2.24 -0.81 -4.85 114.28 116.74 1wfv n THR 69 Ca 0.33 -1.26 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 1wfv n THR 69 Cb 0.09 -1.92 -0.08 0.00 -2.10 0.00 0.00 70.33 66.31 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 1.35 3.78 -1.87 -0.78 1.70 -1.26 -4.31 118.95 117.55 1wfv s ARG 70 Ca 0.56 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.55 1wfv s ARG 70 Cb 0.26 -3.21 0.00 0.00 -0.57 0.00 0.00 34.95 31.44 1wfv s ARG 70 CO -0.00 0.46 0.00 -3.47 -1.08 0.00 0.00 175.30 171.21 1wfv n ASP 71 N 2.98 -5.57 -4.82 -2.89 2.03 -1.26 -4.98 116.55 102.04 1wfv n ASP 71 Ca -0.18 0.19 -0.32 0.00 0.52 0.00 0.00 54.79 55.01 1wfv n ASP 71 Cb 0.53 -4.69 -0.06 0.00 -0.72 0.00 0.00 41.12 36.18 1wfv n ASP 71 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1wfv s MET 72 N -4.45 3.13 -0.05 -0.67 -1.94 -1.26 -4.95 119.30 109.12 1wfv s MET 72 Ca 0.00 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1wfv s MET 72 Cb 0.00 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1wfv s MET 72 CO 0.00 0.62 0.16 0.95 -0.01 0.00 0.00 175.02 176.74 1wfv s THR 73 N -1.32 5.40 0.28 2.05 -4.23 -1.26 -0.95 115.64 115.61 1wfv s THR 73 Ca 0.27 -0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.91 1wfv s THR 73 Cb -0.12 -3.46 0.29 0.00 1.34 0.00 0.00 72.50 70.55 1wfv s THR 73 CO 0.19 0.43 1.13 1.57 -0.54 0.00 0.00 174.62 177.40 1wfv n HIS 74 N 1.32 0.72 0.00 3.99 -0.00 -1.25 0.21 115.22 120.20 1wfv n HIS 74 Ca -0.14 0.72 -0.11 0.00 0.46 0.00 0.00 57.72 58.65 1wfv n HIS 74 Cb 0.53 -1.14 -0.05 0.00 -0.12 0.00 0.00 29.99 29.21 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 1.33 0.11 0.40 1.57 0.00 -1.93 -2.42 119.26 118.32 1wfv h ALA 75 Ca 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1wfv h ALA 75 Cb 1.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1wfv h ALA 75 CO -0.47 -0.41 -0.39 -0.09 0.00 0.00 0.00 179.25 177.89 1wfv h ARG 76 N 0.11 -0.76 -1.34 0.00 9.65 0.20 -1.51 114.38 120.73 1wfv h ARG 76 Ca 0.03 0.05 0.39 0.00 -1.10 0.00 0.00 59.98 59.36 1wfv h ARG 76 Cb -0.00 0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.68 1wfv h ARG 76 CO -0.02 -0.50 0.94 0.00 2.80 0.00 0.00 179.97 183.19 1wfv h ALA 77 N -1.12 3.07 -0.04 2.80 0.00 -1.50 1.22 119.26 123.69 1wfv h ALA 77 Ca -0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1wfv h ALA 77 Cb 0.68 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1wfv h ALA 77 CO -0.04 -1.51 -0.65 0.82 0.00 0.00 0.00 179.25 177.87 1wfv h ILE 78 N 0.08 1.42 0.00 0.00 1.08 -0.78 -2.95 117.51 116.36 1wfv h ILE 78 Ca 0.68 -2.13 -0.09 0.00 -0.39 0.00 0.00 64.86 62.93 1wfv h ILE 78 Cb 2.49 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 38.34 1wfv h ILE 78 CO -0.12 0.62 -0.65 1.05 -0.69 0.00 0.00 178.15 178.37 1wfv h GLU 79 N 0.12 0.00 -0.32 2.37 4.11 0.22 -3.32 114.58 117.77 1wfv h GLU 79 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.26 1wfv h GLU 79 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wfv h GLU 79 CO 0.10 0.34 -0.41 -0.07 0.07 0.00 0.00 179.01 179.04 1wfv h LEU 80 N 0.00 0.92 -1.83 3.06 3.38 -0.84 0.32 115.31 120.32 1wfv h LEU 80 Ca -0.03 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1wfv h LEU 80 Cb 1.33 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wfv h LEU 80 CO 0.05 1.23 -0.06 0.40 0.09 0.00 0.00 178.44 180.14 1wfv h ILE 81 N 0.63 1.06 0.00 1.22 2.04 -1.61 -1.79 117.51 119.05 1wfv h ILE 81 Ca 0.04 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1wfv h ILE 81 Cb 1.01 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1wfv h ILE 81 CO 0.10 0.08 -1.43 2.29 0.00 0.00 0.00 178.15 179.18 1wfv n LYS 82 N -4.45 0.43 0.10 2.37 2.85 -1.14 -4.18 118.16 114.14 1wfv n LYS 82 Ca -0.03 -0.07 -0.04 0.00 -1.05 0.00 0.00 58.31 57.13 1wfv n LYS 82 Cb 0.15 -1.57 0.04 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.00 -0.17 -5.58 0.87 0.46 -3.28 113.55 105.84 1wfv h SER 83 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1wfv h SER 83 Cb 0.83 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1wfv h SER 83 CO 0.00 0.78 -0.23 1.23 -0.53 0.00 0.00 176.83 178.08 1wfv h GLY 84 N 2.39 0.51 0.00 5.77 0.00 -1.55 -3.50 103.07 106.68 1wfv h GLY 84 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1wfv h GLY 84 CO 0.10 0.50 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1wfv n GLY 85 N 0.28 0.58 0.19 4.60 0.00 -1.24 -4.79 105.19 104.81 1wfv n GLY 85 Ca -0.06 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1wfv n GLY 85 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 86 N 0.00 0.00 -5.18 1.61 3.08 -1.91 -3.42 114.38 108.56 1wfv h ARG 86 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1wfv h ARG 86 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 1wfv h ARG 86 CO 0.00 0.38 -0.68 1.03 -1.07 0.00 0.00 179.97 179.63 1wfv s ARG 87 N -3.95 3.58 -0.05 0.04 0.52 -1.26 0.18 118.95 118.01 1wfv s ARG 87 Ca -0.02 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1wfv s ARG 87 Cb 0.13 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 1wfv s ARG 87 CO 0.70 0.07 -0.25 0.54 0.02 0.00 0.00 175.30 176.38 1wfv s VAL 88 N 0.80 2.05 -0.18 3.52 0.11 -0.68 -4.84 120.40 121.18 1wfv s VAL 88 Ca -0.01 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 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 0.02 0.57 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.74 1wfv s ARG 89 N -0.28 1.16 0.10 1.54 3.52 -1.26 -2.77 118.95 120.97 1wfv s ARG 89 Ca -0.00 -0.55 0.09 0.00 -0.13 0.00 0.00 55.73 55.14 1wfv s ARG 89 Cb -0.13 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 1wfv s ARG 89 CO 0.02 -0.53 -0.23 -0.48 -0.81 0.00 0.00 175.30 173.28 1wfv s LEU 90 N 1.68 2.28 -0.53 -0.88 2.34 -1.22 0.20 118.68 122.54 1wfv s LEU 90 Ca -0.01 -0.67 -0.24 0.00 0.06 0.00 0.00 54.13 53.26 1wfv s LEU 90 Cb -0.16 -1.01 0.04 0.00 -0.56 0.00 0.00 46.19 44.50 1wfv s LEU 90 CO -0.07 0.12 0.93 -0.22 -1.06 0.00 0.00 176.35 176.05 1wfv s LEU 91 N -1.80 4.10 0.14 1.48 0.20 0.37 -0.54 118.68 122.62 1wfv s LEU 91 Ca 0.09 -0.27 0.09 0.00 0.69 0.00 0.00 54.13 54.72 1wfv s LEU 91 Cb -0.10 -2.89 -0.04 0.00 -0.43 0.00 0.00 46.19 42.73 1wfv s LEU 91 CO 0.04 -1.19 -0.14 -0.22 -0.29 0.00 0.00 176.35 174.55 1wfv s LEU 92 N 3.89 2.84 -0.12 -0.68 2.96 -0.00 -1.59 118.68 125.98 1wfv s LEU 92 Ca 0.31 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1wfv s LEU 92 Cb -0.12 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1wfv s LEU 92 CO 0.20 0.15 -0.21 -1.59 -1.32 0.00 0.00 176.35 173.59 1wfv s LYS 93 N -2.38 3.13 0.28 1.98 -2.85 -1.20 -2.63 119.74 116.07 1wfv s LYS 93 Ca 0.21 -0.83 0.07 0.00 -1.00 0.00 0.00 55.97 54.42 1wfv s LYS 93 Cb -0.10 -2.41 -0.03 0.00 -2.06 0.00 0.00 37.83 33.23 1wfv s LYS 93 CO 0.12 0.15 0.31 1.03 0.10 0.00 0.00 175.35 177.06 1wfv s ARG 94 N 0.43 3.04 0.00 1.78 1.81 -1.26 -3.83 118.95 120.93 1wfv s ARG 94 Ca -0.15 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 52.83 1wfv s ARG 94 Cb -0.17 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.66 1wfv s ARG 94 CO 0.06 0.28 0.00 0.41 -0.68 0.00 0.00 175.30 175.37 1wfv n GLY 95 N -1.36 2.89 0.15 -3.53 0.00 -1.26 -4.29 105.19 97.79 1wfv n GLY 95 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1wfv n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfv h THR 96 N 0.00 0.85 -3.18 2.61 1.03 -1.93 -3.44 112.91 108.85 1wfv h THR 96 Ca 0.00 -2.10 -0.62 0.00 -0.01 0.00 0.00 66.41 63.68 1wfv h THR 96 Cb 0.00 2.35 -0.12 0.00 -1.07 0.00 0.00 68.15 69.30 1wfv h THR 96 CO 0.00 0.47 -0.51 -0.83 -0.01 0.00 0.00 175.52 174.63 1wfv s GLY 97 N -4.44 2.01 0.34 2.99 0.00 -1.26 -5.07 107.32 101.90 1wfv s GLY 97 Ca 0.03 -0.70 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 1wfv s GLY 97 CO 0.73 0.00 0.69 -1.35 0.00 0.00 0.00 173.10 173.18 1wfv s SER 98 N 0.09 6.56 -0.32 1.64 1.04 -1.26 -4.89 113.70 116.56 1wfv s SER 98 Ca 0.08 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 57.53 1wfv s SER 98 Cb -0.12 -2.28 0.19 0.00 0.10 0.00 0.00 66.02 63.92 1wfv s SER 98 CO -0.00 -0.28 0.80 -0.83 0.98 0.00 0.00 173.24 173.91 1wfv s GLY 99 N -2.91 -1.21 0.30 7.32 0.00 -1.26 -4.85 107.32 104.71 1wfv s GLY 99 Ca 0.50 1.25 -0.29 0.00 0.00 0.00 0.00 44.72 46.17 1wfv s GLY 99 CO 0.27 3.90 1.24 2.56 0.00 0.00 0.00 173.10 181.07 1wfv s PRO 100 N 2.56 4.46 0.14 2.90 0.04 -1.26 -5.04 135.00 138.80 1wfv s PRO 100 Ca 0.17 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 1wfv s PRO 100 Cb -0.05 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1wfv s PRO 100 CO -0.20 -0.06 0.40 -1.54 0.04 0.00 0.00 177.00 175.64 1wfv s SER 101 N -0.52 -0.19 -1.07 6.66 1.04 -1.26 -4.96 113.70 113.40 1wfv s SER 101 Ca 0.48 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wfv s SER 101 Cb -0.37 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wfv s SER 101 CO 0.47 -0.89 0.90 -0.24 0.98 0.00 0.00 173.24 174.46 1wfv n SER 102 N -0.24 -2.34 0.00 7.02 2.88 -1.26 -5.37 113.62 114.32 1wfv n SER 102 Ca -0.14 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 1wfv n SER 102 Cb 0.63 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 1wfv n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42