#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 5.54 -0.16 1.61 0.01 -1.26 -5.13 113.70 114.31 1wfv s SER 2 Ca 0.00 -0.29 -0.13 0.00 1.31 0.00 0.00 55.95 56.84 1wfv s SER 2 Cb 0.00 -1.32 0.05 0.00 0.21 0.00 0.00 66.02 64.96 1wfv s SER 2 CO 0.00 -0.14 0.42 -0.44 0.41 0.00 0.00 173.24 173.49 1wfv s SER 3 N -3.91 -0.46 0.00 2.44 0.01 -1.26 -5.15 113.70 105.37 1wfv s SER 3 Ca 0.36 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1wfv s SER 3 Cb -0.07 0.84 0.00 0.00 0.21 0.00 0.00 66.02 66.99 1wfv s SER 3 CO 0.26 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1wfv n GLY 4 N 3.21 3.93 3.73 3.44 0.00 -1.26 -5.16 105.19 113.09 1wfv n GLY 4 Ca -0.16 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 2.96 -0.16 1.61 0.01 -1.26 -5.04 113.70 111.82 1wfv s SER 5 Ca 0.00 1.01 -0.10 0.00 1.31 0.00 0.00 55.95 58.17 1wfv s SER 5 Cb 0.00 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.59 1wfv s SER 5 CO 0.00 -2.90 0.18 -0.94 0.41 0.00 0.00 173.24 169.99 1wfv s SER 6 N -3.81 6.33 0.00 2.44 1.04 -1.26 -4.85 113.70 113.59 1wfv s SER 6 Ca 0.65 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1wfv s SER 6 Cb -0.16 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1wfv s SER 6 CO 0.55 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.61 1wfv n GLY 7 N 3.02 0.58 3.57 7.32 0.00 -1.26 -5.00 105.19 113.42 1wfv n GLY 7 Ca -0.16 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.06 3.86 1.09 1.61 -0.21 -1.26 -4.98 119.66 119.71 1wfv s GLN 8 Ca 0.00 -1.73 -0.17 0.00 0.02 0.00 0.00 55.36 53.48 1wfv s GLN 8 Cb 0.00 -5.46 0.24 0.00 1.00 0.00 0.00 33.01 28.79 1wfv s GLN 8 CO 0.00 -2.22 1.18 -0.51 -2.12 0.00 0.00 175.29 171.61 1wfv s ASP 9 N 4.43 1.93 1.36 5.90 1.11 -1.26 -5.04 116.67 125.10 1wfv s ASP 9 Ca 0.51 0.57 -0.19 0.00 0.18 0.00 0.00 52.55 53.62 1wfv s ASP 9 Cb 0.02 -0.80 0.29 0.00 1.07 0.00 0.00 42.92 43.51 1wfv s ASP 9 CO 0.02 -3.49 0.72 0.49 1.18 0.00 0.00 175.17 174.08 1wfv n PHE 10 N -4.33 -3.48 -1.98 4.23 3.01 -1.26 -4.86 117.46 108.79 1wfv n PHE 10 Ca 0.13 -0.67 -0.42 0.00 1.01 0.00 0.00 57.45 57.49 1wfv n PHE 10 Cb 0.59 -0.98 -0.03 0.00 -0.01 0.00 0.00 39.48 39.06 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 -3.02 6.55 -1.08 4.37 2.15 -1.26 -4.93 116.67 119.45 1wfv s ASP 11 Ca 0.54 2.14 -0.17 0.00 0.43 0.00 0.00 52.55 55.49 1wfv s ASP 11 Cb -0.09 -2.53 0.13 0.00 -0.30 0.00 0.00 42.92 40.13 1wfv s ASP 11 CO 0.44 -1.04 1.33 -0.31 -0.17 0.00 0.00 175.17 175.43 1wfv s TYR 12 N 4.46 3.19 0.12 -5.34 2.02 -1.26 -4.20 117.35 116.33 1wfv s TYR 12 Ca 0.75 -1.66 0.05 0.00 -0.37 0.00 0.00 57.07 55.85 1wfv s TYR 12 Cb -0.32 -4.37 -0.04 0.00 -0.40 0.00 0.00 41.96 36.82 1wfv s TYR 12 CO 0.31 -1.52 0.03 -0.59 -1.57 0.00 0.00 175.55 172.21 1wfv s PHE 13 N 2.59 3.01 0.34 2.71 -0.12 -1.17 -5.00 117.98 120.34 1wfv s PHE 13 Ca 0.40 -0.04 -0.01 0.00 -0.05 0.00 0.00 56.93 57.23 1wfv s PHE 13 Cb -0.03 -1.51 -0.04 0.00 -0.63 0.00 0.00 43.02 40.82 1wfv s PHE 13 CO -0.04 0.50 0.56 0.95 -0.05 0.00 0.00 175.22 177.14 1wfv s THR 14 N -1.48 5.09 0.02 -4.49 -4.23 -1.26 -1.20 115.64 108.07 1wfv s THR 14 Ca 0.27 -0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.51 1wfv s THR 14 Cb -0.11 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 1wfv s THR 14 CO 0.20 -0.54 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.84 1wfv s VAL 15 N -2.30 2.57 -0.09 2.29 1.01 0.36 -4.83 120.40 119.41 1wfv s VAL 15 Ca 0.41 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1wfv s VAL 15 Cb -0.10 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1wfv s VAL 15 CO 0.36 0.42 0.00 -0.62 0.00 0.00 0.00 175.10 175.26 1wfv s ASP 16 N -1.16 1.73 0.17 3.32 2.15 -1.26 -3.13 116.67 118.50 1wfv s ASP 16 Ca 0.13 -0.17 -0.15 0.00 0.43 0.00 0.00 52.55 52.80 1wfv s ASP 16 Cb -0.10 -0.46 0.02 0.00 -0.30 0.00 0.00 42.92 42.07 1wfv s ASP 16 CO 0.03 -0.20 0.43 -0.04 -0.17 0.00 0.00 175.17 175.21 1wfv s MET 17 N 1.96 1.25 0.48 4.34 -1.94 -1.21 -4.94 119.30 119.24 1wfv s MET 17 Ca 0.04 -0.92 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 1wfv s MET 17 Cb -0.13 0.47 -0.03 0.00 2.01 0.00 0.00 34.83 37.15 1wfv s MET 17 CO -0.06 -0.51 0.08 -1.21 -0.01 0.00 0.00 175.02 173.32 1wfv s GLU 18 N -3.89 2.15 0.74 2.03 2.02 -1.26 -2.06 118.70 118.44 1wfv s GLU 18 Ca 0.10 -2.20 -0.11 0.00 0.02 0.00 0.00 54.97 52.78 1wfv s GLU 18 Cb 0.01 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.57 1wfv s GLU 18 CO -0.04 -0.29 1.07 0.21 0.02 0.00 0.00 175.26 176.24 1wfv s LYS 19 N -3.90 2.57 0.00 1.61 2.47 0.39 -4.44 119.74 118.44 1wfv s LYS 19 Ca 0.21 0.98 0.00 0.00 -1.56 0.00 0.00 55.97 55.60 1wfv s LYS 19 Cb 0.03 -1.95 0.00 0.00 -1.46 0.00 0.00 37.83 34.46 1wfv s LYS 19 CO 0.12 -1.37 0.00 0.41 0.16 0.00 0.00 175.35 174.67 1wfv n GLY 20 N -1.73 6.12 0.40 5.54 0.00 0.01 -4.82 105.19 110.71 1wfv n GLY 20 Ca 0.08 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.73 -0.36 4.61 0.00 -1.97 -2.99 119.26 118.81 1wfv h ALA 21 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1wfv h ALA 21 Cb 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 1wfv h ALA 21 CO 0.00 -0.97 -0.08 1.63 0.00 0.00 0.00 179.25 179.83 1wfv n LYS 22 N -5.46 1.85 0.00 0.00 4.76 -1.26 -5.07 118.16 112.98 1wfv n LYS 22 Ca -0.07 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.18 1wfv n LYS 22 Cb 0.37 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.12 -0.54 0.35 0.72 0.00 -1.13 -4.62 105.19 98.84 1wfv n GLY 23 Ca 0.34 -2.25 0.18 0.00 0.00 0.00 0.00 46.02 44.28 1wfv n GLY 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wfv h PHE 24 N 0.00 0.00 -1.33 1.61 0.04 -1.87 0.07 116.94 115.46 1wfv h PHE 24 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1wfv h PHE 24 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1wfv h PHE 24 CO 0.00 0.00 -0.04 0.41 -0.60 0.00 0.00 178.31 178.08 1wfv n GLY 25 N -1.32 0.85 3.35 -1.45 0.00 -1.26 -1.04 105.19 104.31 1wfv n GLY 25 Ca 0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.46 0.40 1.61 -0.12 -1.26 0.44 117.98 115.57 1wfv s PHE 26 Ca 0.03 1.05 0.08 0.00 -0.05 0.00 0.00 56.93 58.04 1wfv s PHE 26 Cb -0.02 0.18 -0.07 0.00 -0.63 0.00 0.00 43.02 42.49 1wfv s PHE 26 CO 0.04 -0.31 0.04 0.45 -0.05 0.00 0.00 175.22 175.40 1wfv s SER 27 N -0.19 4.02 0.28 1.98 0.15 -0.92 -5.01 113.70 114.02 1wfv s SER 27 Ca -0.04 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.40 1wfv s SER 27 Cb -0.03 -0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 63.79 1wfv s SER 27 CO 0.02 -0.42 0.05 0.27 1.20 0.00 0.00 173.24 174.36 1wfv s ILE 28 N -2.65 0.99 0.15 6.45 -4.36 -1.26 -1.71 121.20 118.81 1wfv s ILE 28 Ca 0.36 -2.01 -0.08 0.00 -0.26 0.00 0.00 60.65 58.66 1wfv s ILE 28 Cb 0.07 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.14 1wfv s ILE 28 CO 0.19 -0.10 0.24 0.00 0.24 0.00 0.00 174.94 175.51 1wfv s ARG 29 N -3.92 1.10 0.83 0.37 1.04 0.26 -4.26 118.95 114.38 1wfv s ARG 29 Ca 0.35 -1.20 0.00 0.00 -1.04 0.00 0.00 55.73 53.83 1wfv s ARG 29 Cb 0.08 0.35 0.00 0.00 -2.04 0.00 0.00 34.95 33.34 1wfv s ARG 29 CO 0.13 -0.39 0.00 0.41 -0.04 0.00 0.00 175.30 175.41 1wfv n GLY 30 N -0.18 -2.01 0.00 3.88 0.00 -1.26 -1.04 105.19 104.58 1wfv n GLY 30 Ca -0.08 -1.39 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 -0.45 3.44 0.51 -0.02 0.00 0.12 -3.79 105.19 105.01 1wfv n GLY 31 Ca 0.00 -1.79 0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 0.11 -0.73 1.61 2.47 -0.73 0.70 114.38 117.80 1wfv h ARG 32 Ca 0.00 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1wfv h ARG 32 Cb 0.00 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 1wfv h ARG 32 CO 0.00 0.07 0.48 1.49 0.56 0.00 0.00 179.97 182.57 1wfv h GLU 33 N 0.11 0.82 -0.28 0.04 4.57 -1.89 -1.97 114.58 115.98 1wfv h GLU 33 Ca 0.64 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1wfv h GLU 33 Cb 2.26 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 1wfv h GLU 33 CO -0.13 0.54 0.00 0.66 -1.18 0.00 0.00 179.01 178.90 1wfv n TYR 34 N -4.46 0.37 -3.41 0.92 4.01 0.21 -4.99 117.16 109.81 1wfv n TYR 34 Ca 0.10 -0.34 -0.18 0.00 -0.16 0.00 0.00 57.90 57.32 1wfv n TYR 34 Cb 0.16 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.70 -4.65 -3.50 -0.72 4.76 0.62 -4.87 118.16 110.49 1wfv n LYS 35 Ca 0.12 0.81 -0.11 0.00 -2.87 0.00 0.00 58.31 56.25 1wfv n LYS 35 Cb 0.41 -5.69 -0.03 0.00 -1.84 0.00 0.00 35.03 27.88 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 -5.13 1.21 1.14 1.97 0.23 -1.00 -4.95 119.30 112.78 1wfv s MET 36 Ca 0.18 -0.56 -0.13 0.00 -1.03 0.00 0.00 55.69 54.15 1wfv s MET 36 Cb -0.03 0.55 0.27 0.00 -1.53 0.00 0.00 34.83 34.09 1wfv s MET 36 CO 0.75 -0.51 1.04 -0.51 -2.03 0.00 0.00 175.02 173.76 1wfv s ASP 37 N -2.77 1.25 -0.30 -1.18 1.01 -1.26 0.15 116.67 113.57 1wfv s ASP 37 Ca 0.02 1.31 -0.13 0.00 0.71 0.00 0.00 52.55 54.46 1wfv s ASP 37 Cb -0.00 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1wfv s ASP 37 CO -0.12 -4.00 0.29 -0.76 0.21 0.00 0.00 175.17 170.78 1wfv s LEU 38 N -7.04 4.17 0.39 1.23 1.43 -1.26 -3.01 118.68 114.59 1wfv s LEU 38 Ca 0.68 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1wfv s LEU 38 Cb -0.22 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 1wfv s LEU 38 CO 0.62 -0.17 0.01 -0.31 0.23 0.00 0.00 176.35 176.73 1wfv s TYR 39 N 1.90 2.51 -0.65 0.29 1.51 -0.20 0.30 117.35 123.01 1wfv s TYR 39 Ca 0.10 -0.59 -0.24 0.00 -1.01 0.00 0.00 57.07 55.33 1wfv s TYR 39 Cb -0.16 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.06 1wfv s TYR 39 CO 0.11 0.45 1.04 0.08 -1.11 0.00 0.00 175.55 176.12 1wfv s VAL 40 N -2.65 4.18 0.03 0.71 1.01 -1.19 0.91 120.40 123.41 1wfv s VAL 40 Ca 0.35 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1wfv s VAL 40 Cb 0.06 -4.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1wfv s VAL 40 CO 0.18 -1.46 1.15 0.25 0.00 0.00 0.00 175.10 175.22 1wfv h LEU 41 N 11.69 -0.46 0.00 3.92 7.12 -1.51 -3.22 115.31 132.85 1wfv h LEU 41 Ca -0.28 0.05 -0.32 0.00 0.13 0.00 0.00 57.88 57.47 1wfv h LEU 41 Cb 1.07 0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 41.30 1wfv h LEU 41 CO 1.18 -0.13 -0.20 -2.11 -0.13 0.00 0.00 178.44 177.05 1wfv n ARG 42 N -3.33 0.68 -4.16 1.25 -4.01 -1.26 -4.75 116.66 101.09 1wfv n ARG 42 Ca -0.02 -2.95 -0.17 0.00 -1.04 0.00 0.00 57.85 53.67 1wfv n ARG 42 Cb 0.10 2.77 -0.12 0.00 -3.04 0.00 0.00 32.46 32.18 1wfv n ARG 42 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1wfv s LEU 43 N 0.00 2.29 -0.27 2.89 1.43 -1.26 -2.15 118.68 121.60 1wfv s LEU 43 Ca 0.31 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 1wfv s LEU 43 Cb -0.01 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1wfv s LEU 43 CO 0.22 -0.11 0.74 0.00 0.23 0.00 0.00 176.35 177.43 1wfv s ALA 44 N -1.40 3.59 0.44 4.21 0.00 0.17 -4.93 121.76 123.84 1wfv s ALA 44 Ca -0.02 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.68 1wfv s ALA 44 Cb -0.09 -3.19 0.98 0.00 0.00 0.00 0.00 23.12 20.82 1wfv s ALA 44 CO 0.02 -0.99 2.04 1.05 0.00 0.00 0.00 175.76 177.88 1wfv h GLU 45 N 7.93 0.41 -0.71 0.00 4.11 -1.98 -1.83 114.58 122.50 1wfv h GLU 45 Ca -0.25 -0.02 -0.48 0.00 0.07 0.00 0.00 59.36 58.68 1wfv h GLU 45 Cb 1.11 -0.09 -0.29 0.00 0.50 0.00 0.00 28.75 29.97 1wfv h GLU 45 CO 0.84 0.27 -0.07 -0.25 0.07 0.00 0.00 179.01 179.87 1wfv n ASP 46 N -4.48 4.93 -4.55 3.06 9.92 -1.26 -4.93 116.55 119.24 1wfv n ASP 46 Ca 0.05 -3.77 -0.26 0.00 -0.53 0.00 0.00 54.79 50.27 1wfv n ASP 46 Cb 0.18 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 39.93 1wfv n ASP 46 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1wfv s GLY 47 N -2.71 2.21 0.35 0.44 0.00 -0.69 -4.79 107.32 102.13 1wfv s GLY 47 Ca 0.53 -2.10 0.27 0.00 0.00 0.00 0.00 44.72 43.42 1wfv s GLY 47 CO 0.01 -2.04 1.80 -0.56 0.00 0.00 0.00 173.10 172.31 1wfv h PRO 48 N 2.01 0.00 0.27 2.90 0.13 -1.78 -3.22 132.00 132.31 1wfv h PRO 48 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.71 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.35 1wfv h ALA 49 N 2.19 -0.39 0.00 -0.56 0.00 -1.31 -2.43 119.26 116.75 1wfv h ALA 49 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wfv h ALA 49 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wfv h ALA 49 CO 0.00 -0.36 0.18 0.97 0.00 0.00 0.00 179.25 180.04 1wfv h ILE 50 N -1.03 0.00 0.00 0.00 2.10 -1.68 0.59 117.51 117.49 1wfv h ILE 50 Ca -0.04 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1wfv h ILE 50 Cb 0.28 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.42 1wfv h ILE 50 CO 0.06 0.00 -1.37 0.54 -1.08 0.00 0.00 178.15 176.30 1wfv n ARG 51 N -2.21 0.58 0.26 2.19 1.74 -1.21 -4.38 116.66 113.63 1wfv n ARG 51 Ca -0.01 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.91 1wfv n ARG 51 Cb 0.21 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 1wfv n ARG 51 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1wfv h ASN 52 N 0.00 -0.58 0.00 0.55 -1.24 0.71 -3.47 115.58 111.54 1wfv h ASN 52 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1wfv h ASN 52 Cb 0.96 0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1wfv h ASN 52 CO 0.00 -0.23 0.00 0.61 -1.29 0.00 0.00 177.43 176.52 1wfv n GLY 53 N -0.58 2.69 0.68 1.57 0.00 -1.21 -4.81 105.19 103.53 1wfv n GLY 53 Ca -0.11 -0.63 0.52 0.00 0.00 0.00 0.00 46.02 45.79 1wfv n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfv h ARG 54 N 0.00 0.00 -6.03 1.61 2.47 -1.92 -3.36 114.38 107.15 1wfv h ARG 54 Ca 0.00 -0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.11 1wfv h ARG 54 Cb 0.00 -0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.02 1wfv h ARG 54 CO 0.00 0.00 -0.86 0.00 0.56 0.00 0.00 179.97 179.67 1wfv s MET 55 N -4.91 1.74 0.25 0.04 0.23 -1.26 -4.90 119.30 110.49 1wfv s MET 55 Ca -0.05 -0.75 0.03 0.00 -1.03 0.00 0.00 55.69 53.88 1wfv s MET 55 Cb 0.27 -1.67 -0.01 0.00 -1.53 0.00 0.00 34.83 31.89 1wfv s MET 55 CO 0.89 0.44 0.11 0.54 -2.03 0.00 0.00 175.02 174.97 1wfv n ARG 56 N 2.60 0.61 -3.14 3.16 3.00 -1.26 -4.83 116.66 116.79 1wfv n ARG 56 Ca -0.15 -2.19 -0.41 0.00 -0.01 0.00 0.00 57.85 55.09 1wfv n ARG 56 Cb 0.53 1.32 -0.07 0.00 0.00 0.00 0.00 32.46 34.24 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 -2.60 4.95 0.00 1.55 1.01 -1.26 -4.03 120.40 120.03 1wfv s VAL 57 Ca 0.16 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1wfv s VAL 57 Cb 0.01 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1wfv s VAL 57 CO 0.11 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1wfv n GLY 58 N 4.50 1.73 3.96 4.51 0.00 -1.22 -5.06 105.19 113.62 1wfv n GLY 58 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 4.98 -0.19 1.61 1.11 -1.26 -4.84 116.67 116.08 1wfv s ASP 59 Ca 0.00 -0.93 0.01 0.00 0.18 0.00 0.00 52.55 51.81 1wfv s ASP 59 Cb 0.00 0.12 0.03 0.00 1.07 0.00 0.00 42.92 44.13 1wfv s ASP 59 CO 0.00 -1.10 -0.18 -1.58 1.18 0.00 0.00 175.17 173.49 1wfv s GLN 60 N -4.42 2.79 -0.25 8.23 -0.44 -1.26 -3.17 119.66 121.15 1wfv s GLN 60 Ca 0.50 -0.89 -0.23 0.00 -2.50 0.00 0.00 55.36 52.23 1wfv s GLN 60 Cb -0.04 -2.58 -0.01 0.00 -1.64 0.00 0.00 33.01 28.73 1wfv s GLN 60 CO 0.31 -0.28 0.77 0.42 0.50 0.00 0.00 175.29 177.01 1wfv s ILE 61 N 1.28 4.88 -0.21 -2.34 1.01 0.15 -3.65 121.20 122.32 1wfv s ILE 61 Ca 0.03 1.43 0.21 0.00 0.00 0.00 0.00 60.65 62.32 1wfv s ILE 61 Cb -0.14 -4.06 -0.30 0.00 0.01 0.00 0.00 42.46 37.96 1wfv s ILE 61 CO -0.11 -0.04 0.53 2.30 0.00 0.00 0.00 174.94 177.62 1wfv n ILE 62 N 5.24 0.00 -3.95 2.92 -0.00 -0.69 -4.19 119.36 118.69 1wfv n ILE 62 Ca 0.04 -0.39 -0.10 0.00 -0.00 0.00 0.00 62.75 62.30 1wfv n ILE 62 Cb 0.48 0.21 -0.10 0.00 -0.00 0.00 0.00 39.64 40.23 1wfv n ILE 62 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1wfv s GLU 63 N -3.34 0.44 -0.11 6.28 2.12 -1.19 -3.06 118.70 119.84 1wfv s GLU 63 Ca -0.05 -0.63 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 1wfv s GLU 63 Cb 0.14 0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.75 1wfv s GLU 63 CO 0.86 -0.09 0.15 0.42 -0.54 0.00 0.00 175.26 176.05 1wfv s ILE 64 N -1.86 -0.23 -1.54 -3.70 1.01 -1.20 -1.23 121.20 112.46 1wfv s ILE 64 Ca -0.12 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1wfv s ILE 64 Cb -0.06 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1wfv s ILE 64 CO -0.02 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.55 1wfv n ASN 65 N 5.32 -4.86 -0.07 3.58 3.02 0.37 -0.02 115.26 122.59 1wfv n ASN 65 Ca -0.05 0.17 -0.01 0.00 -0.03 0.00 0.00 54.58 54.66 1wfv n ASN 65 Cb 0.50 -4.15 -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 -0.76 0.49 3.23 7.41 0.00 -1.24 -4.97 105.19 109.34 1wfv n GLY 66 Ca -0.19 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.93 2.47 -0.34 1.61 2.02 0.97 -5.04 118.70 119.45 1wfv s GLU 67 Ca 0.00 -1.39 -0.34 0.00 0.02 0.00 0.00 54.97 53.26 1wfv s GLU 67 Cb 0.00 -3.52 -0.14 0.00 0.10 0.00 0.00 34.13 30.56 1wfv s GLU 67 CO 0.00 -0.81 1.13 0.43 0.02 0.00 0.00 175.26 176.03 1wfv n SER 68 N 4.77 0.82 -3.20 -0.19 7.64 -1.26 -3.21 113.62 118.99 1wfv n SER 68 Ca -0.10 0.86 -0.36 0.00 1.01 0.00 0.00 58.87 60.28 1wfv n SER 68 Cb 0.43 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 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 2.78 4.44 -4.43 0.44 -2.24 -1.17 -4.89 114.28 109.20 1wfv n THR 69 Ca 0.22 -3.03 -0.29 0.00 -2.27 0.00 0.00 64.05 58.68 1wfv n THR 69 Cb -0.04 -2.35 -0.13 0.00 -2.10 0.00 0.00 70.33 65.72 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 0.87 1.51 -0.79 -0.78 1.70 -1.26 -4.65 118.95 115.54 1wfv s ARG 70 Ca 0.64 -1.30 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 1wfv s ARG 70 Cb 0.20 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.64 1wfv s ARG 70 CO -0.07 0.46 0.00 -0.25 -1.08 0.00 0.00 175.30 174.36 1wfv n ASP 71 N 0.99 -2.91 -4.78 -2.89 8.00 -1.26 -4.92 116.55 108.78 1wfv n ASP 71 Ca -0.18 0.27 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 1wfv n ASP 71 Cb 0.53 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.12 38.98 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 -4.53 2.85 0.01 -1.24 -1.94 -1.26 -4.96 119.30 108.23 1wfv s MET 72 Ca 0.00 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1wfv s MET 72 Cb 0.00 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1wfv s MET 72 CO 0.00 0.51 0.04 0.95 -0.01 0.00 0.00 175.02 176.50 1wfv s THR 73 N -1.63 4.40 0.41 2.05 -4.23 -1.26 -0.24 115.64 115.14 1wfv s THR 73 Ca 0.30 -0.57 0.33 0.00 -1.18 0.00 0.00 61.69 60.57 1wfv s THR 73 Cb -0.11 -3.00 0.50 0.00 1.34 0.00 0.00 72.50 71.23 1wfv s THR 73 CO 0.22 0.33 1.35 1.57 -0.54 0.00 0.00 174.62 177.55 1wfv n HIS 74 N 1.17 0.42 -0.08 3.99 -0.00 -1.25 0.19 115.22 119.68 1wfv n HIS 74 Ca -0.13 0.43 -0.10 0.00 0.46 0.00 0.00 57.72 58.37 1wfv n HIS 74 Cb 0.53 -0.85 -0.04 0.00 -0.12 0.00 0.00 29.99 29.51 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 1.22 0.33 0.28 1.57 0.00 -1.93 -2.69 119.26 118.04 1wfv h ALA 75 Ca 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 1wfv h ALA 75 Cb 2.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.39 1wfv h ALA 75 CO -0.28 -0.06 -0.30 -0.09 0.00 0.00 0.00 179.25 178.52 1wfv h ARG 76 N 0.24 -0.56 -1.29 0.00 9.65 0.17 -1.50 114.38 121.10 1wfv h ARG 76 Ca 0.08 0.04 0.38 0.00 -1.10 0.00 0.00 59.98 59.38 1wfv h ARG 76 Cb 0.21 0.13 -0.08 0.00 -1.39 0.00 0.00 29.97 28.84 1wfv h ARG 76 CO -0.00 -0.37 0.88 0.00 2.80 0.00 0.00 179.97 183.28 1wfv h ALA 77 N -1.24 2.90 -0.08 2.80 0.00 -1.58 1.17 119.26 123.23 1wfv h ALA 77 Ca -0.03 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1wfv h ALA 77 Cb 0.50 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wfv h ALA 77 CO -0.05 -1.36 -0.51 0.82 0.00 0.00 0.00 179.25 178.16 1wfv h ILE 78 N 0.12 1.35 0.00 0.00 1.08 -0.97 -2.92 117.51 116.17 1wfv h ILE 78 Ca 0.68 -1.76 -0.11 0.00 -0.39 0.00 0.00 64.86 63.28 1wfv h ILE 78 Cb 2.34 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 37.93 1wfv h ILE 78 CO -0.18 0.52 -0.81 1.05 -0.69 0.00 0.00 178.15 178.04 1wfv h GLU 79 N 0.17 0.00 -0.46 2.37 4.11 0.22 -3.32 114.58 117.67 1wfv h GLU 79 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1wfv h GLU 79 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1wfv h GLU 79 CO 0.08 0.37 -0.20 -0.07 0.07 0.00 0.00 179.01 179.26 1wfv h LEU 80 N 0.00 0.95 -1.54 3.06 3.38 -0.72 0.57 115.31 121.02 1wfv h LEU 80 Ca -0.06 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1wfv h LEU 80 Cb 1.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1wfv h LEU 80 CO 0.05 1.12 -0.15 0.40 0.09 0.00 0.00 178.44 179.95 1wfv h ILE 81 N 0.81 1.15 0.00 1.22 2.04 -1.61 -2.18 117.51 118.93 1wfv h ILE 81 Ca 0.11 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1wfv h ILE 81 Cb 0.76 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1wfv h ILE 81 CO 0.06 0.20 -1.35 2.29 0.00 0.00 0.00 178.15 179.36 1wfv n LYS 82 N -4.31 0.37 0.07 2.37 2.85 -1.07 -4.12 118.16 114.32 1wfv n LYS 82 Ca -0.02 -0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 1wfv n LYS 82 Cb 0.25 -1.57 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 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 0.43 -0.29 -5.58 0.87 0.67 -3.27 113.55 106.38 1wfv h SER 83 Ca 0.00 -0.34 -0.19 0.00 -1.23 0.00 0.00 61.79 60.03 1wfv h SER 83 Cb 0.79 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1wfv h SER 83 CO 0.00 1.13 -0.55 1.23 -0.53 0.00 0.00 176.83 178.10 1wfv h GLY 84 N 1.45 0.97 0.00 5.77 0.00 -1.58 -3.50 103.07 106.17 1wfv h GLY 84 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.13 1wfv h GLY 84 CO 0.15 1.02 0.00 0.61 0.00 0.00 0.00 176.54 178.32 1wfv n GLY 85 N 0.38 0.41 0.06 4.60 0.00 -1.24 -4.75 105.19 104.65 1wfv n GLY 85 Ca -0.04 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 0.55 -4.01 1.61 1.74 -1.26 -4.71 116.66 110.59 1wfv n ARG 86 Ca 0.00 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 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 -3.38 3.54 -0.13 5.56 0.52 -1.26 0.15 118.95 123.95 1wfv s ARG 87 Ca -0.02 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1wfv s ARG 87 Cb 0.12 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.53 1wfv s ARG 87 CO 0.83 -0.07 -0.18 0.54 0.02 0.00 0.00 175.30 176.44 1wfv s VAL 88 N 1.20 1.74 -0.25 3.52 0.11 -0.87 -4.82 120.40 121.03 1wfv s VAL 88 Ca 0.03 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1wfv s VAL 88 Cb -0.15 -1.57 0.05 0.00 -1.53 0.00 0.00 36.38 33.18 1wfv s VAL 88 CO 0.01 0.49 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.56 1wfv s ARG 89 N 0.97 2.48 0.06 1.54 3.52 -1.26 -3.32 118.95 122.93 1wfv s ARG 89 Ca -0.06 -1.20 0.07 0.00 -0.13 0.00 0.00 55.73 54.42 1wfv s ARG 89 Cb -0.15 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1wfv s ARG 89 CO -0.03 -0.49 -0.20 -0.48 -0.81 0.00 0.00 175.30 173.30 1wfv s LEU 90 N 1.18 2.21 -0.40 -0.88 2.34 -1.18 0.14 118.68 122.09 1wfv s LEU 90 Ca -0.05 -0.57 -0.25 0.00 0.06 0.00 0.00 54.13 53.32 1wfv s LEU 90 Cb -0.18 -0.89 0.02 0.00 -0.56 0.00 0.00 46.19 44.58 1wfv s LEU 90 CO -0.06 0.11 0.91 -0.22 -1.06 0.00 0.00 176.35 176.03 1wfv s LEU 91 N -1.42 4.01 0.12 1.48 0.20 -0.36 -0.49 118.68 122.21 1wfv s LEU 91 Ca 0.06 0.40 0.08 0.00 0.69 0.00 0.00 54.13 55.37 1wfv s LEU 91 Cb -0.09 -3.22 -0.04 0.00 -0.43 0.00 0.00 46.19 42.41 1wfv s LEU 91 CO 0.02 -0.92 -0.21 -0.22 -0.29 0.00 0.00 176.35 174.74 1wfv s LEU 92 N 3.55 2.33 -0.04 -0.68 2.96 -0.35 -1.71 118.68 124.74 1wfv s LEU 92 Ca 0.37 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1wfv s LEU 92 Cb -0.11 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.70 1wfv s LEU 92 CO 0.21 0.05 -0.04 -1.59 -1.32 0.00 0.00 176.35 173.67 1wfv s LYS 93 N -2.07 0.74 0.27 1.98 -2.85 -1.24 -3.06 119.74 113.50 1wfv s LYS 93 Ca 0.09 -0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 1wfv s LYS 93 Cb -0.09 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.79 1wfv s LYS 93 CO 0.05 -0.10 0.96 0.50 0.10 0.00 0.00 175.35 176.86 1wfv s ARG 94 N 0.98 4.75 -0.19 1.78 6.06 -1.26 -3.98 118.95 127.08 1wfv s ARG 94 Ca -0.10 1.48 0.00 0.00 -2.50 0.00 0.00 55.73 54.61 1wfv s ARG 94 Cb -0.14 -3.14 0.17 0.00 0.06 0.00 0.00 34.95 31.90 1wfv s ARG 94 CO -0.00 0.41 1.77 0.41 -2.50 0.00 0.00 175.30 175.39 1wfv n GLY 95 N 1.20 3.32 0.08 8.12 0.00 -1.26 -4.15 105.19 112.50 1wfv n GLY 95 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 0.77 1.35 0.00 2.61 1.03 -2.01 -3.50 112.91 113.16 1wfv h THR 96 Ca 0.20 -3.02 0.00 0.00 -0.01 0.00 0.00 66.41 63.58 1wfv h THR 96 Cb 1.17 2.65 0.00 0.00 -1.07 0.00 0.00 68.15 70.90 1wfv h THR 96 CO 0.46 0.77 0.00 0.61 -0.01 0.00 0.00 175.52 177.35 1wfv n GLY 97 N 1.37 -0.76 0.26 2.99 0.00 -1.26 -4.40 105.19 103.40 1wfv n GLY 97 Ca -0.03 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1wfv n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfv n SER 98 N -0.80 0.82 0.00 1.61 3.41 -1.26 -5.01 113.62 112.39 1wfv n SER 98 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1wfv n SER 98 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1wfv n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfv n GLY 99 N 1.05 0.62 3.63 5.00 0.00 -1.26 -5.03 105.19 109.21 1wfv n GLY 99 Ca 0.19 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1wfv n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfv s PRO 100 N -0.62 3.82 -1.08 1.61 0.04 -1.26 -4.94 135.00 132.57 1wfv s PRO 100 Ca 0.00 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1wfv s PRO 100 Cb 0.00 -4.02 0.12 0.00 0.04 0.00 0.00 34.50 30.63 1wfv s PRO 100 CO 0.00 -1.26 1.37 -1.12 0.04 0.00 0.00 177.00 176.03 1wfv s SER 101 N 4.12 6.75 -0.27 6.66 0.01 -1.26 -4.92 113.70 124.80 1wfv s SER 101 Ca 0.71 -2.24 -0.25 0.00 1.31 0.00 0.00 55.95 55.48 1wfv s SER 101 Cb -0.25 -2.46 0.07 0.00 0.21 0.00 0.00 66.02 63.59 1wfv s SER 101 CO 0.29 -1.08 0.74 -0.55 0.41 0.00 0.00 173.24 173.04 1wfv s SER 102 N 3.78 -0.74 0.00 2.44 0.15 -1.26 -5.27 113.70 112.80 1wfv s SER 102 Ca 0.41 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.48 1wfv s SER 102 Cb -0.02 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 1wfv s SER 102 CO -0.04 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.76