#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 4.81 0.28 1.61 0.01 -1.26 -4.99 113.70 114.17 1wfv s SER 2 Ca 0.00 -0.80 0.10 0.00 1.31 0.00 0.00 55.95 56.56 1wfv s SER 2 Cb 0.00 -0.65 0.89 0.00 0.21 0.00 0.00 66.02 66.47 1wfv s SER 2 CO 0.00 -0.48 1.28 -0.24 0.41 0.00 0.00 173.24 174.21 1wfv n SER 3 N -1.33 0.12 0.00 2.44 2.88 -1.26 -4.80 113.62 111.67 1wfv n SER 3 Ca -0.00 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1wfv n SER 3 Cb 0.62 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1wfv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfv n GLY 4 N -1.30 0.76 0.30 0.46 0.00 -1.26 -5.01 105.19 99.14 1wfv n GLY 4 Ca 0.26 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1wfv n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wfv h SER 5 N 0.00 -0.90 -2.86 1.61 0.87 -2.05 -3.39 113.55 106.84 1wfv h SER 5 Ca 0.00 0.16 -0.55 0.00 -1.23 0.00 0.00 61.79 60.17 1wfv h SER 5 Cb 0.00 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1wfv h SER 5 CO 0.00 -0.30 0.88 -0.44 -0.53 0.00 0.00 176.83 176.44 1wfv s SER 6 N -5.04 6.83 0.00 6.23 0.01 -1.26 -5.00 113.70 115.47 1wfv s SER 6 Ca -0.15 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.20 1wfv s SER 6 Cb 0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wfv s SER 6 CO 0.68 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wfv n GLY 7 N 3.72 1.33 1.47 3.44 0.00 -1.26 -4.93 105.19 108.96 1wfv n GLY 7 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.07 -3.74 1.61 6.02 -1.26 -4.99 117.38 117.09 1wfv n GLN 8 Ca 0.00 -3.44 -0.38 0.00 -0.01 0.00 0.00 57.00 53.17 1wfv n GLN 8 Cb 0.00 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 29.53 1wfv n GLN 8 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1wfv s ASP 9 N -3.25 5.33 0.10 1.08 1.47 -1.26 -4.99 116.67 115.14 1wfv s ASP 9 Ca 0.41 -1.40 -0.32 0.00 1.18 0.00 0.00 52.55 52.41 1wfv s ASP 9 Cb 0.38 -1.87 -0.12 0.00 -0.34 0.00 0.00 42.92 40.97 1wfv s ASP 9 CO -0.04 -0.41 1.59 -0.26 0.68 0.00 0.00 175.17 176.73 1wfv h PHE 10 N 8.21 -1.11 -1.16 2.11 0.04 -1.94 -3.44 116.94 119.64 1wfv h PHE 10 Ca -0.21 0.02 0.16 0.00 2.80 0.00 0.00 57.97 60.74 1wfv h PHE 10 Cb 1.07 0.45 -0.23 0.00 2.20 0.00 0.00 35.95 39.44 1wfv h PHE 10 CO 0.59 -0.53 0.16 0.34 -0.60 0.00 0.00 178.31 178.27 1wfv s ASP 11 N -4.61 -0.68 -1.20 2.17 -1.08 -1.26 -4.87 116.67 105.14 1wfv s ASP 11 Ca -0.17 0.91 -0.20 0.00 -0.52 0.00 0.00 52.55 52.58 1wfv s ASP 11 Cb 0.06 1.77 0.05 0.00 -1.46 0.00 0.00 42.92 43.34 1wfv s ASP 11 CO 0.63 -0.13 1.69 -0.31 0.52 0.00 0.00 175.17 177.57 1wfv s TYR 12 N 2.54 2.60 0.25 -5.34 2.02 -1.26 -4.21 117.35 113.96 1wfv s TYR 12 Ca -0.03 -1.15 0.08 0.00 -0.37 0.00 0.00 57.07 55.60 1wfv s TYR 12 Cb -0.07 -4.65 -0.04 0.00 -0.40 0.00 0.00 41.96 36.80 1wfv s TYR 12 CO -0.18 -1.79 0.14 -0.59 -1.57 0.00 0.00 175.55 171.56 1wfv s PHE 13 N 5.26 3.00 0.23 2.71 -0.71 -1.17 -5.01 117.98 122.29 1wfv s PHE 13 Ca 0.54 -0.13 0.04 0.00 -1.04 0.00 0.00 56.93 56.33 1wfv s PHE 13 Cb 0.02 -1.35 -0.03 0.00 -1.21 0.00 0.00 43.02 40.44 1wfv s PHE 13 CO 0.03 0.55 0.36 0.95 -1.34 0.00 0.00 175.22 175.77 1wfv s THR 14 N -2.15 5.26 0.01 -4.49 -4.23 -1.26 -1.60 115.64 107.17 1wfv s THR 14 Ca 0.32 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1wfv s THR 14 Cb -0.08 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 1wfv s THR 14 CO 0.23 -0.30 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.09 1wfv s VAL 15 N -1.96 2.32 -0.08 2.29 1.01 0.24 -4.84 120.40 119.39 1wfv s VAL 15 Ca 0.35 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1wfv s VAL 15 Cb -0.10 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1wfv s VAL 15 CO 0.30 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 175.25 1wfv s ASP 16 N -0.97 1.66 0.26 3.32 -1.08 -1.26 -3.06 116.67 115.55 1wfv s ASP 16 Ca 0.11 -0.13 -0.14 0.00 -0.52 0.00 0.00 52.55 51.88 1wfv s ASP 16 Cb -0.10 -0.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.92 1wfv s ASP 16 CO 0.01 -0.20 0.54 -0.04 0.52 0.00 0.00 175.17 176.00 1wfv s MET 17 N 1.97 1.63 0.47 4.34 1.00 -1.12 -4.93 119.30 122.65 1wfv s MET 17 Ca 0.05 -1.22 0.05 0.00 0.00 0.00 0.00 55.69 54.57 1wfv s MET 17 Cb -0.13 0.50 -0.03 0.00 0.00 0.00 0.00 34.83 35.18 1wfv s MET 17 CO -0.05 -0.70 0.17 -1.21 0.00 0.00 0.00 175.02 173.23 1wfv s GLU 18 N -3.92 2.20 -0.13 2.03 2.02 -1.26 -2.03 118.70 117.61 1wfv s GLU 18 Ca 0.20 -2.05 -0.07 0.00 0.02 0.00 0.00 54.97 53.08 1wfv s GLU 18 Cb -0.02 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1wfv s GLU 18 CO 0.09 -0.28 0.11 0.21 0.02 0.00 0.00 175.26 175.41 1wfv s LYS 19 N -3.96 3.53 0.00 1.61 2.20 0.69 -4.53 119.74 119.28 1wfv s LYS 19 Ca 0.30 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1wfv s LYS 19 Cb 0.03 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1wfv s LYS 19 CO 0.17 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.21 1wfv n GLY 20 N 2.41 0.52 0.09 5.54 0.00 0.15 -4.92 105.19 108.98 1wfv n GLY 20 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 0.74 -0.69 4.61 0.00 -1.26 -4.44 120.51 116.47 1wfv n ALA 21 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1wfv n ALA 21 Cb 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 19.45 19.53 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 -4.49 1.95 0.00 0.00 5.02 -1.26 -5.02 118.16 114.37 1wfv n LYS 22 Ca -0.20 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1wfv n LYS 22 Cb 0.50 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.72 -0.97 0.93 0.72 0.00 -1.26 -4.47 105.19 99.42 1wfv n GLY 23 Ca 0.45 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 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 0.26 -4.45 1.61 3.01 -1.26 0.29 117.46 116.92 1wfv n PHE 24 Ca 0.00 -0.41 -0.39 0.00 1.01 0.00 0.00 57.45 57.66 1wfv n PHE 24 Cb 0.00 -0.25 -0.08 0.00 -0.01 0.00 0.00 39.48 39.15 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 0.23 -0.34 3.35 1.37 0.00 -1.26 -2.84 105.19 105.70 1wfv n GLY 25 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.50 -0.66 0.35 1.61 -0.12 -1.26 0.73 117.98 115.13 1wfv s PHE 26 Ca 0.64 1.42 0.08 0.00 -0.05 0.00 0.00 56.93 59.02 1wfv s PHE 26 Cb -0.37 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1wfv s PHE 26 CO 1.01 -0.35 0.20 0.45 -0.05 0.00 0.00 175.22 176.47 1wfv s SER 27 N 1.17 4.82 0.32 1.98 0.15 -0.47 -5.01 113.70 116.65 1wfv s SER 27 Ca -0.07 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.87 1wfv s SER 27 Cb -0.07 -0.75 -0.06 0.00 -1.71 0.00 0.00 66.02 63.43 1wfv s SER 27 CO -0.11 -0.36 0.06 0.27 1.20 0.00 0.00 173.24 174.31 1wfv s ILE 28 N -2.42 1.13 0.20 6.45 -4.36 -1.26 -1.61 121.20 119.34 1wfv s ILE 28 Ca 0.39 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.70 1wfv s ILE 28 Cb -0.03 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 1wfv s ILE 28 CO 0.24 0.00 0.33 0.00 0.24 0.00 0.00 174.94 175.75 1wfv s ARG 29 N -3.90 1.31 1.25 0.37 1.70 0.30 -4.31 118.95 115.67 1wfv s ARG 29 Ca 0.37 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 1wfv s ARG 29 Cb 0.09 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1wfv s ARG 29 CO 0.15 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.28 1wfv n GLY 30 N -0.29 -1.85 0.00 3.88 0.00 -1.26 -1.30 105.19 104.37 1wfv n GLY 30 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1wfv n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfv n GLY 31 N 0.00 3.46 0.42 -0.02 0.00 0.26 -3.56 105.19 105.75 1wfv n GLY 31 Ca 0.00 -1.80 0.21 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.47 1.61 2.47 -0.45 0.61 114.38 118.15 1wfv h ARG 32 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 1wfv h ARG 32 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1wfv h ARG 32 CO 0.00 0.00 -0.06 1.49 0.56 0.00 0.00 179.97 181.96 1wfv h GLU 33 N 0.00 0.82 -0.44 0.04 4.57 -1.88 -2.86 114.58 114.84 1wfv h GLU 33 Ca 0.25 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1wfv h GLU 33 Cb 1.65 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.16 1wfv h GLU 33 CO -0.00 0.86 0.00 0.66 -1.18 0.00 0.00 179.01 179.35 1wfv n TYR 34 N -4.18 0.92 -3.69 0.92 4.01 0.20 -4.97 117.16 110.36 1wfv n TYR 34 Ca 0.02 -0.63 -0.21 0.00 -0.16 0.00 0.00 57.90 56.92 1wfv n TYR 34 Cb 0.34 -0.16 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.49 -4.75 -3.69 -0.72 4.76 -0.36 -4.86 118.16 109.03 1wfv n LYS 35 Ca 0.19 0.62 -0.10 0.00 -2.87 0.00 0.00 58.31 56.15 1wfv n LYS 35 Cb 0.70 -5.16 -0.04 0.00 -1.84 0.00 0.00 35.03 28.69 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 -5.95 1.26 0.98 1.97 0.23 -1.04 -4.97 119.30 111.78 1wfv s MET 36 Ca 0.02 -0.80 -0.12 0.00 -1.03 0.00 0.00 55.69 53.76 1wfv s MET 36 Cb -0.01 0.50 0.18 0.00 -1.53 0.00 0.00 34.83 33.97 1wfv s MET 36 CO 0.81 -0.52 1.10 -0.51 -2.03 0.00 0.00 175.02 173.87 1wfv s ASP 37 N -2.85 2.81 -0.25 -1.18 1.01 -1.26 -0.57 116.67 114.38 1wfv s ASP 37 Ca 0.07 1.15 -0.17 0.00 0.71 0.00 0.00 52.55 54.31 1wfv s ASP 37 Cb 0.00 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.10 1wfv s ASP 37 CO -0.06 -3.01 0.48 -0.76 0.21 0.00 0.00 175.17 172.02 1wfv s LEU 38 N -6.37 4.06 0.32 1.23 1.43 -1.26 -3.23 118.68 114.87 1wfv s LEU 38 Ca 0.65 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 1wfv s LEU 38 Cb -0.18 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 1wfv s LEU 38 CO 0.57 -0.24 -0.02 -0.31 0.23 0.00 0.00 176.35 176.57 1wfv s TYR 39 N 2.13 2.13 -0.39 0.29 1.51 -0.42 0.33 117.35 122.93 1wfv s TYR 39 Ca 0.20 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 55.25 1wfv s TYR 39 Cb -0.16 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1wfv s TYR 39 CO 0.09 0.29 1.11 0.08 -1.11 0.00 0.00 175.55 176.02 1wfv s VAL 40 N -2.96 4.36 0.01 0.71 1.01 -1.22 0.11 120.40 122.42 1wfv s VAL 40 Ca 0.33 1.50 -0.25 0.00 0.00 0.00 0.00 61.98 63.56 1wfv s VAL 40 Cb 0.06 -4.49 -0.16 0.00 0.00 0.00 0.00 36.38 31.79 1wfv s VAL 40 CO 0.15 -0.71 1.18 0.25 0.00 0.00 0.00 175.10 175.97 1wfv h LEU 41 N 10.61 -0.44 -7.08 3.92 7.12 -1.49 -3.34 115.31 124.61 1wfv h LEU 41 Ca -0.22 -0.13 -0.07 0.00 0.13 0.00 0.00 57.88 57.59 1wfv h LEU 41 Cb 1.06 0.11 -0.19 0.00 -0.53 0.00 0.00 40.66 41.12 1wfv h LEU 41 CO 1.07 -0.06 0.12 -0.60 -0.13 0.00 0.00 178.44 178.84 1wfv s ARG 42 N -4.59 1.01 0.09 1.25 3.00 -1.25 -4.92 118.95 113.54 1wfv s ARG 42 Ca -0.14 0.16 0.03 0.00 -1.00 0.00 0.00 55.73 54.78 1wfv s ARG 42 Cb 0.02 0.47 -0.04 0.00 0.00 0.00 0.00 34.95 35.40 1wfv s ARG 42 CO 0.51 -0.31 0.13 -0.51 0.00 0.00 0.00 175.30 175.11 1wfv s LEU 43 N -1.27 3.95 -0.34 -0.88 1.43 -1.26 -1.37 118.68 118.94 1wfv s LEU 43 Ca -0.11 0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 52.81 1wfv s LEU 43 Cb -0.01 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1wfv s LEU 43 CO 0.08 0.15 0.72 0.00 0.23 0.00 0.00 176.35 177.53 1wfv s ALA 44 N -1.48 3.47 0.61 4.21 0.00 0.23 -4.92 121.76 123.87 1wfv s ALA 44 Ca 0.31 -0.66 0.32 0.00 0.00 0.00 0.00 51.96 51.93 1wfv s ALA 44 Cb -0.12 -3.25 1.90 0.00 0.00 0.00 0.00 23.12 21.65 1wfv s ALA 44 CO 0.24 -1.31 2.25 1.05 0.00 0.00 0.00 175.76 177.98 1wfv h GLU 45 N 8.35 0.00 -0.25 0.00 4.11 -1.98 -1.37 114.58 123.44 1wfv h GLU 45 Ca -0.25 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.00 1wfv h GLU 45 Cb 1.10 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 1wfv h GLU 45 CO 0.87 0.00 -0.54 -3.47 0.07 0.00 0.00 179.01 175.94 1wfv n ASP 46 N -3.69 2.72 -4.67 3.06 2.03 -1.26 -4.94 116.55 109.80 1wfv n ASP 46 Ca -0.02 -3.86 -0.26 0.00 0.52 0.00 0.00 54.79 51.17 1wfv n ASP 46 Cb 0.13 -0.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.94 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 -3.26 2.42 0.51 0.27 0.00 -0.52 -4.99 107.32 101.74 1wfv s GLY 47 Ca 0.42 -2.21 0.29 0.00 0.00 0.00 0.00 44.72 43.23 1wfv s GLY 47 CO -0.03 -2.01 1.94 -0.56 0.00 0.00 0.00 173.10 172.44 1wfv h PRO 48 N 1.62 0.00 0.22 2.90 0.13 -1.82 -3.20 132.00 131.86 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 32.38 1wfv h PRO 48 CO 0.76 0.11 -0.10 0.00 -0.23 0.00 0.00 178.00 178.53 1wfv h ALA 49 N 1.89 -0.63 -0.44 -0.56 0.00 -1.75 -2.00 119.26 115.77 1wfv h ALA 49 Ca -0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1wfv h ALA 49 Cb 0.57 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1wfv h ALA 49 CO 0.01 -0.61 0.66 0.97 0.00 0.00 0.00 179.25 180.28 1wfv h ILE 50 N -0.47 0.17 0.00 0.00 2.10 -1.69 1.01 117.51 118.64 1wfv h ILE 50 Ca -0.03 0.00 -0.22 0.00 1.08 0.00 0.00 64.86 65.69 1wfv h ILE 50 Cb 0.22 0.44 -0.03 0.00 -1.09 0.00 0.00 36.82 36.36 1wfv h ILE 50 CO 0.05 0.00 -1.10 0.03 -1.08 0.00 0.00 178.15 176.05 1wfv h ARG 51 N 0.00 0.00 0.53 2.19 3.08 -1.53 -3.34 114.38 115.30 1wfv h ARG 51 Ca 0.21 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1wfv h ARG 51 Cb 1.52 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.57 1wfv h ARG 51 CO -0.00 0.87 -0.25 -0.97 -1.07 0.00 0.00 179.97 178.54 1wfv h ASN 52 N 0.00 -0.60 0.00 7.04 -1.24 0.19 -3.47 115.58 117.50 1wfv h ASN 52 Ca -0.06 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1wfv h ASN 52 Cb 1.78 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.99 1wfv h ASN 52 CO 0.12 -0.43 0.00 0.61 -1.29 0.00 0.00 177.43 176.43 1wfv n GLY 53 N -1.40 2.39 0.61 1.57 0.00 -1.17 -4.78 105.19 102.41 1wfv n GLY 53 Ca -0.12 -0.48 0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.64 1.61 5.12 -1.26 -4.13 116.66 113.37 1wfv n ARG 54 Ca 0.00 1.01 -0.23 0.00 -1.93 0.00 0.00 57.85 56.69 1wfv n ARG 54 Cb 0.00 -2.39 -0.15 0.00 -1.16 0.00 0.00 32.46 28.76 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 -4.58 1.22 0.20 5.56 0.23 -1.26 -4.92 119.30 115.74 1wfv s MET 55 Ca -0.04 -0.67 0.04 0.00 -1.03 0.00 0.00 55.69 54.00 1wfv s MET 55 Cb 0.21 -1.22 -0.02 0.00 -1.53 0.00 0.00 34.83 32.27 1wfv s MET 55 CO 0.68 0.32 0.17 0.54 -2.03 0.00 0.00 175.02 174.71 1wfv n ARG 56 N 2.37 0.24 -2.96 3.16 3.00 -1.26 -4.80 116.66 116.42 1wfv n ARG 56 Ca -0.16 -1.96 -0.39 0.00 -0.01 0.00 0.00 57.85 55.34 1wfv n ARG 56 Cb 0.54 1.61 -0.06 0.00 0.00 0.00 0.00 32.46 34.55 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 -2.79 4.34 0.00 1.55 1.01 -1.26 -3.95 120.40 119.30 1wfv s VAL 57 Ca 0.23 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1wfv s VAL 57 Cb 0.01 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1wfv s VAL 57 CO 0.17 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1wfv n GLY 58 N 1.51 0.93 3.96 4.51 0.00 -1.25 -5.06 105.19 109.78 1wfv n GLY 58 Ca -0.05 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 5.18 -0.16 1.61 1.01 -1.25 -5.00 116.67 116.00 1wfv s ASP 59 Ca 0.00 -0.75 0.01 0.00 0.71 0.00 0.00 52.55 52.52 1wfv s ASP 59 Cb 0.00 -0.25 0.02 0.00 1.01 0.00 0.00 42.92 43.71 1wfv s ASP 59 CO 0.00 -0.92 -0.16 -1.58 0.21 0.00 0.00 175.17 172.72 1wfv s GLN 60 N -4.35 2.54 -0.15 8.23 -0.44 -1.26 -3.43 119.66 120.80 1wfv s GLN 60 Ca 0.51 -0.66 -0.23 0.00 -2.50 0.00 0.00 55.36 52.48 1wfv s GLN 60 Cb -0.06 -2.28 -0.03 0.00 -1.64 0.00 0.00 33.01 29.01 1wfv s GLN 60 CO 0.31 -0.23 0.70 0.42 0.50 0.00 0.00 175.29 176.99 1wfv s ILE 61 N 1.41 4.99 -0.22 -2.34 1.01 0.15 -3.32 121.20 122.88 1wfv s ILE 61 Ca 0.05 1.38 0.04 0.00 0.00 0.00 0.00 60.65 62.12 1wfv s ILE 61 Cb -0.13 -4.02 -0.16 0.00 0.01 0.00 0.00 42.46 38.15 1wfv s ILE 61 CO -0.11 0.13 -0.16 2.30 0.00 0.00 0.00 174.94 177.09 1wfv n ILE 62 N 4.45 1.32 -4.36 2.92 -0.00 -0.58 -4.07 119.36 119.06 1wfv n ILE 62 Ca 0.00 -0.56 -0.21 0.00 -0.00 0.00 0.00 62.75 61.99 1wfv n ILE 62 Cb 0.50 -1.19 -0.11 0.00 -0.00 0.00 0.00 39.64 38.84 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 -2.46 1.35 -0.02 6.28 2.12 -1.21 -1.54 118.70 123.22 1wfv s GLU 63 Ca -0.28 -1.51 0.01 0.00 0.36 0.00 0.00 54.97 53.55 1wfv s GLU 63 Cb 0.08 -1.34 0.01 0.00 0.26 0.00 0.00 34.13 33.13 1wfv s GLU 63 CO 0.57 0.26 -0.02 0.42 -0.54 0.00 0.00 175.26 175.95 1wfv s ILE 64 N -2.37 0.28 -0.11 -3.70 1.01 -0.08 -1.44 121.20 114.79 1wfv s ILE 64 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1wfv s ILE 64 Cb -0.04 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.13 1wfv s ILE 64 CO 0.08 0.12 0.00 0.59 0.00 0.00 0.00 174.94 175.73 1wfv n ASN 65 N 3.55 -0.86 -0.22 3.58 3.02 0.45 0.20 115.26 124.99 1wfv n ASN 65 Ca -0.20 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1wfv n ASN 65 Cb 0.54 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.31 0.83 2.82 7.41 0.00 -1.15 -4.91 105.19 109.87 1wfv n GLY 66 Ca -0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 1wfv n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfv s GLU 67 N -3.80 0.01 0.34 1.61 -1.05 0.54 -5.13 118.70 111.22 1wfv s GLU 67 Ca 0.00 0.34 -0.25 0.00 -0.15 0.00 0.00 54.97 54.90 1wfv s GLU 67 Cb 0.00 -0.27 -0.13 0.00 -0.44 0.00 0.00 34.13 33.29 1wfv s GLU 67 CO 0.00 -0.21 0.75 0.43 0.95 0.00 0.00 175.26 177.18 1wfv n SER 68 N 4.54 0.06 -2.59 0.83 7.64 -1.26 -0.91 113.62 121.92 1wfv n SER 68 Ca -0.20 1.05 -0.26 0.00 1.01 0.00 0.00 58.87 60.46 1wfv n SER 68 Cb 0.51 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 62.52 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 -0.32 2.46 -0.03 0.44 -2.24 -0.59 -4.77 114.28 109.22 1wfv n THR 69 Ca 0.12 -5.01 -0.02 0.00 -2.27 0.00 0.00 64.05 56.86 1wfv n THR 69 Cb 0.35 -1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 67.35 1wfv n THR 69 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1wfv h ARG 70 N 2.68 0.00 -2.63 -0.78 9.65 -1.91 -3.41 114.38 117.97 1wfv h ARG 70 Ca 0.25 0.00 -0.79 0.00 -1.10 0.00 0.00 59.98 58.34 1wfv h ARG 70 Cb 0.84 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.19 1wfv h ARG 70 CO 0.83 0.00 1.42 -0.25 2.80 0.00 0.00 179.97 184.77 1wfv n ASP 71 N -3.33 7.05 -4.20 -3.80 8.00 -1.26 -4.78 116.55 114.24 1wfv n ASP 71 Ca -0.03 -3.43 -0.16 0.00 0.71 0.00 0.00 54.79 51.88 1wfv n ASP 71 Cb 0.10 -1.27 -0.11 0.00 -0.02 0.00 0.00 41.12 39.82 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 -2.70 0.91 0.05 -1.24 -1.94 -1.26 -5.03 119.30 108.10 1wfv s MET 72 Ca 0.41 -1.19 0.04 0.00 -1.71 0.00 0.00 55.69 53.24 1wfv s MET 72 Cb 0.15 -0.66 -0.04 0.00 2.01 0.00 0.00 34.83 36.28 1wfv s MET 72 CO -0.05 0.11 -0.00 0.95 -0.01 0.00 0.00 175.02 176.02 1wfv s THR 73 N -2.33 4.04 0.42 2.05 -4.23 -1.26 0.09 115.64 114.42 1wfv s THR 73 Ca 0.07 -0.84 0.36 0.00 -1.18 0.00 0.00 61.69 60.10 1wfv s THR 73 Cb -0.04 -2.88 0.54 0.00 1.34 0.00 0.00 72.50 71.47 1wfv s THR 73 CO 0.01 0.22 1.27 1.57 -0.54 0.00 0.00 174.62 177.15 1wfv n HIS 74 N 0.90 0.19 -0.01 3.99 -0.00 -1.23 0.19 115.22 119.24 1wfv n HIS 74 Ca -0.12 0.19 -0.13 0.00 0.46 0.00 0.00 57.72 58.12 1wfv n HIS 74 Cb 0.52 -0.59 -0.08 0.00 -0.12 0.00 0.00 29.99 29.71 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 0.97 0.06 -0.32 1.57 0.00 -1.93 -2.72 119.26 116.88 1wfv h ALA 75 Ca 0.75 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1wfv h ALA 75 Cb 2.84 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 20.54 1wfv h ALA 75 CO -0.13 -0.25 -0.20 -0.09 0.00 0.00 0.00 179.25 178.58 1wfv h ARG 76 N -0.26 -0.16 -0.29 0.00 9.65 0.17 -1.71 114.38 121.78 1wfv h ARG 76 Ca 0.01 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1wfv h ARG 76 Cb 0.38 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.94 1wfv h ARG 76 CO 0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 179.97 182.59 1wfv h ALA 77 N 1.01 0.18 0.00 2.80 0.00 -1.54 0.19 119.26 121.91 1wfv h ALA 77 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wfv h ALA 77 Cb 0.42 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wfv h ALA 77 CO -0.42 -0.47 0.02 0.82 0.00 0.00 0.00 179.25 179.20 1wfv h ILE 78 N -0.01 0.00 0.09 0.00 1.08 -1.02 -1.71 117.51 115.93 1wfv h ILE 78 Ca 0.14 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 64.27 1wfv h ILE 78 Cb 0.22 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1wfv h ILE 78 CO -0.30 0.00 -1.85 1.21 -0.69 0.00 0.00 178.15 176.52 1wfv n GLU 79 N -2.42 0.71 -0.27 2.37 4.07 0.52 -3.98 120.64 121.64 1wfv n GLU 79 Ca -0.02 0.33 -0.01 0.00 -0.06 0.00 0.00 57.16 57.41 1wfv n GLU 79 Cb 0.06 -1.71 0.18 0.00 -0.06 0.00 0.00 31.44 29.92 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 -0.21 0.97 -1.56 4.31 3.38 -0.22 1.24 115.31 123.22 1wfv h LEU 80 Ca -0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1wfv h LEU 80 Cb 1.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1wfv h LEU 80 CO -0.00 0.74 0.15 0.40 0.09 0.00 0.00 178.44 179.81 1wfv h ILE 81 N 1.12 1.12 0.00 1.22 2.04 -1.58 -1.16 117.51 120.27 1wfv h ILE 81 Ca 0.30 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1wfv h ILE 81 Cb -0.07 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1wfv h ILE 81 CO -0.06 0.13 -1.67 2.29 0.00 0.00 0.00 178.15 178.85 1wfv n LYS 82 N -4.43 0.56 0.07 2.37 2.85 -0.70 -4.16 118.16 114.72 1wfv n LYS 82 Ca 0.02 -0.11 -0.10 0.00 -1.05 0.00 0.00 58.31 57.07 1wfv n LYS 82 Cb 0.12 -1.58 0.01 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.39 -0.34 -5.58 0.87 0.20 -3.26 113.55 105.83 1wfv h SER 83 Ca 0.00 -0.28 -0.14 0.00 -1.23 0.00 0.00 61.79 60.14 1wfv h SER 83 Cb 0.93 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1wfv h SER 83 CO 0.00 1.05 -0.33 1.23 -0.53 0.00 0.00 176.83 178.25 1wfv h GLY 84 N 1.49 0.89 0.00 5.77 0.00 -1.41 -3.50 103.07 106.32 1wfv h GLY 84 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1wfv h GLY 84 CO 0.13 0.82 0.00 0.61 0.00 0.00 0.00 176.54 178.10 1wfv n GLY 85 N 0.14 0.20 0.15 4.60 0.00 -1.23 -4.72 105.19 104.32 1wfv n GLY 85 Ca -0.03 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.45 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 -5.08 1.61 3.08 -1.92 -3.44 114.38 108.63 1wfv h ARG 86 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1wfv h ARG 86 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.80 1wfv h ARG 86 CO 0.00 0.29 -0.68 1.03 -1.07 0.00 0.00 179.97 179.54 1wfv s ARG 87 N -3.06 3.53 0.09 0.04 0.52 -1.26 0.25 118.95 119.06 1wfv s ARG 87 Ca 0.03 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 54.77 1wfv s ARG 87 Cb 0.07 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1wfv s ARG 87 CO 0.74 -0.06 -0.23 0.54 0.02 0.00 0.00 175.30 176.32 1wfv s VAL 88 N 1.17 1.85 -0.13 3.52 0.11 -0.86 -4.84 120.40 121.22 1wfv s VAL 88 Ca 0.03 -1.52 -0.04 0.00 -2.93 0.00 0.00 61.98 57.52 1wfv s VAL 88 Cb -0.14 -1.65 0.05 0.00 -1.53 0.00 0.00 36.38 33.11 1wfv s VAL 88 CO 0.01 0.05 0.10 -0.60 -3.33 0.00 0.00 175.10 171.33 1wfv s ARG 89 N -1.77 0.03 0.07 1.54 3.52 -1.26 -2.80 118.95 118.29 1wfv s ARG 89 Ca 0.09 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.89 1wfv s ARG 89 Cb -0.10 -1.24 -0.03 0.00 -1.56 0.00 0.00 34.95 32.02 1wfv s ARG 89 CO 0.04 -0.54 -0.17 -0.48 -0.81 0.00 0.00 175.30 173.34 1wfv s LEU 90 N 2.18 2.24 -0.42 -0.88 2.34 -1.17 0.17 118.68 123.15 1wfv s LEU 90 Ca 0.03 -0.59 -0.25 0.00 0.06 0.00 0.00 54.13 53.39 1wfv s LEU 90 Cb -0.14 -0.73 0.02 0.00 -0.56 0.00 0.00 46.19 44.78 1wfv s LEU 90 CO -0.07 0.03 0.89 -0.22 -1.06 0.00 0.00 176.35 175.92 1wfv s LEU 91 N -1.56 4.04 0.23 1.48 0.20 -0.52 -0.59 118.68 121.96 1wfv s LEU 91 Ca 0.03 0.28 0.11 0.00 0.69 0.00 0.00 54.13 55.24 1wfv s LEU 91 Cb -0.09 -3.17 -0.05 0.00 -0.43 0.00 0.00 46.19 42.45 1wfv s LEU 91 CO 0.03 -0.93 -0.21 -0.22 -0.29 0.00 0.00 176.35 174.73 1wfv s LEU 92 N 3.53 2.51 -0.12 -0.68 2.96 -0.63 -1.52 118.68 124.74 1wfv s LEU 92 Ca 0.36 -0.95 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1wfv s LEU 92 Cb -0.11 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.52 1wfv s LEU 92 CO 0.22 0.04 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.55 1wfv s LYS 93 N -3.13 3.14 -0.05 1.98 1.02 -1.21 -3.03 119.74 118.46 1wfv s LYS 93 Ca 0.24 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1wfv s LYS 93 Cb -0.06 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1wfv s LYS 93 CO 0.11 0.15 -0.03 0.50 -0.92 0.00 0.00 175.35 175.17 1wfv s ARG 94 N 0.43 2.81 -0.06 1.68 6.06 -1.26 -4.12 118.95 124.49 1wfv s ARG 94 Ca -0.15 -0.54 0.00 0.00 -2.50 0.00 0.00 55.73 52.55 1wfv s ARG 94 Cb -0.17 -2.66 0.08 0.00 0.06 0.00 0.00 34.95 32.26 1wfv s ARG 94 CO 0.06 0.66 1.23 0.41 -2.50 0.00 0.00 175.30 175.17 1wfv n GLY 95 N 1.92 2.40 0.27 8.12 0.00 -1.26 -4.18 105.19 112.45 1wfv n GLY 95 Ca -0.17 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 0.24 1.27 0.00 2.61 1.03 -1.96 -3.35 112.91 112.75 1wfv h THR 96 Ca 0.08 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.96 1wfv h THR 96 Cb 1.20 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1wfv h THR 96 CO 0.15 0.51 0.00 0.61 -0.01 0.00 0.00 175.52 176.78 1wfv n GLY 97 N 0.09 -3.01 3.39 2.99 0.00 -1.26 -4.04 105.19 103.36 1wfv n GLY 97 Ca -0.02 0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.89 1wfv n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfv s SER 98 N -2.50 6.38 -0.54 1.61 0.01 -1.26 -5.00 113.70 112.41 1wfv s SER 98 Ca 0.00 -1.76 -0.16 0.00 1.31 0.00 0.00 55.95 55.34 1wfv s SER 98 Cb 0.00 -2.32 0.13 0.00 0.21 0.00 0.00 66.02 64.04 1wfv s SER 98 CO 0.00 -1.03 0.49 -0.83 0.41 0.00 0.00 173.24 172.28 1wfv s GLY 99 N 3.38 2.09 1.25 3.44 0.00 -1.26 -4.96 107.32 111.26 1wfv s GLY 99 Ca 0.18 -2.54 -0.21 0.00 0.00 0.00 0.00 44.72 42.15 1wfv s GLY 99 CO 0.00 1.20 1.11 2.56 0.00 0.00 0.00 173.10 177.97 1wfv s PRO 100 N 1.59 -1.62 -1.09 2.90 0.04 -1.26 -4.35 135.00 131.21 1wfv s PRO 100 Ca 0.03 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 60.80 1wfv s PRO 100 Cb -0.30 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1wfv s PRO 100 CO 0.03 -3.94 0.95 0.43 0.04 0.00 0.00 177.00 174.50 1wfv n SER 101 N -4.90 -5.22 -3.93 6.66 7.64 -1.26 -5.02 113.62 107.59 1wfv n SER 101 Ca 0.15 -0.44 -0.17 0.00 1.01 0.00 0.00 58.87 59.42 1wfv n SER 101 Cb 0.60 -4.19 -0.15 0.00 -1.01 0.00 0.00 64.21 59.46 1wfv n SER 101 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfv s SER 102 N -3.35 0.65 0.00 6.43 0.01 -1.26 -5.34 113.70 110.84 1wfv s SER 102 Ca 0.43 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1wfv s SER 102 Cb -0.19 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1wfv s SER 102 CO 0.59 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.87