#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfj s SER 2 N 0.00 -0.08 0.51 1.61 0.15 -1.26 -5.15 113.70 109.48 1wfj s SER 2 Ca 0.00 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1wfj s SER 2 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1wfj s SER 2 CO 0.00 -1.12 0.00 -1.20 1.20 0.00 0.00 173.24 172.12 1wfj n SER 3 N -0.92 -6.97 0.00 5.45 7.64 -1.26 -5.08 113.62 112.49 1wfj n SER 3 Ca -0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wfj n SER 3 Cb 0.60 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 1wfj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfj n GLY 4 N -4.14 4.25 2.95 0.23 0.00 -1.26 -5.14 105.19 102.09 1wfj n GLY 4 Ca -0.07 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 44.95 1wfj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfj s SER 5 N 0.00 -0.38 -0.26 1.61 0.15 -1.26 -5.17 113.70 108.39 1wfj s SER 5 Ca 0.00 -0.08 -0.36 0.00 0.70 0.00 0.00 55.95 56.21 1wfj s SER 5 Cb 0.00 0.83 0.16 0.00 -1.71 0.00 0.00 66.02 65.30 1wfj s SER 5 CO 0.00 -0.05 1.33 -0.94 1.20 0.00 0.00 173.24 174.77 1wfj s SER 6 N 2.43 -0.05 0.00 5.45 1.04 -1.26 -5.18 113.70 116.12 1wfj s SER 6 Ca 0.21 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1wfj s SER 6 Cb 0.01 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wfj s SER 6 CO -0.19 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1wfj n GLY 7 N 0.06 -0.75 0.00 7.32 0.00 -1.26 -5.01 105.19 105.55 1wfj n GLY 7 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1wfj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 8 N 0.00 0.60 0.00 1.61 -0.04 -1.26 -5.12 135.00 130.80 1wfj n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wfj n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wfj n PRO 8 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1wfj n HIS 9 N -0.78 0.00 -0.40 0.54 -0.00 -1.26 -4.74 115.22 108.59 1wfj n HIS 9 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1wfj n HIS 9 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1wfj n HIS 9 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wfj n GLY 10 N -0.24 0.41 3.93 1.57 0.00 -0.86 -3.60 105.19 106.39 1wfj n GLY 10 Ca 0.00 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1wfj n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 11 N -3.68 5.18 -0.03 2.61 2.01 -0.03 0.85 115.64 122.55 1wfj s THR 11 Ca 0.00 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1wfj s THR 11 Cb 0.00 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 1wfj s THR 11 CO 0.00 -0.16 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.40 1wfj s LEU 12 N -3.41 1.92 -0.33 4.42 2.96 -0.28 0.10 118.68 124.07 1wfj s LEU 12 Ca 0.34 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1wfj s LEU 12 Cb -0.10 -0.84 0.06 0.00 0.50 0.00 0.00 46.19 45.81 1wfj s LEU 12 CO 0.28 0.15 0.06 -0.70 -1.32 0.00 0.00 176.35 174.82 1wfj s GLU 13 N -0.06 2.34 -0.32 1.98 2.12 -1.18 -0.71 118.70 122.87 1wfj s GLU 13 Ca -0.01 -1.39 -0.15 0.00 0.36 0.00 0.00 54.97 53.78 1wfj s GLU 13 Cb -0.09 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1wfj s GLU 13 CO 0.01 -0.74 0.36 0.08 -0.54 0.00 0.00 175.26 174.44 1wfj s VAL 14 N 1.24 5.17 -0.66 3.70 1.01 0.31 -0.38 120.40 130.79 1wfj s VAL 14 Ca -0.01 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1wfj s VAL 14 Cb -0.20 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.57 1wfj s VAL 14 CO -0.01 -0.00 0.51 -0.69 0.00 0.00 0.00 175.10 174.90 1wfj s VAL 15 N 2.04 4.16 -1.00 2.92 1.01 0.88 0.13 120.40 130.54 1wfj s VAL 15 Ca 0.13 -2.79 -0.24 0.00 0.00 0.00 0.00 61.98 59.08 1wfj s VAL 15 Cb -0.16 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1wfj s VAL 15 CO 0.11 -0.90 1.96 -0.22 0.00 0.00 0.00 175.10 176.05 1wfj s LEU 16 N 0.06 3.10 0.00 3.92 2.96 -1.12 -2.21 118.68 125.39 1wfj s LEU 16 Ca 0.17 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1wfj s LEU 16 Cb -0.18 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.94 1wfj s LEU 16 CO -0.05 -2.95 0.00 0.52 -1.32 0.00 0.00 176.35 172.56 1wfj n VAL 17 N 7.91 0.00 -3.64 1.68 0.31 -1.14 0.11 118.33 123.56 1wfj n VAL 17 Ca 0.42 0.46 -0.07 0.00 -0.01 0.00 0.00 64.34 65.14 1wfj n VAL 17 Cb 0.47 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 31.98 1wfj n VAL 17 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wfj n SER 18 N 0.00 -1.30 -3.77 4.52 3.41 -1.19 0.69 113.62 115.98 1wfj n SER 18 Ca 0.00 -2.11 -0.10 0.00 -0.26 0.00 0.00 58.87 56.40 1wfj n SER 18 Cb 0.00 2.22 -0.07 0.00 -0.26 0.00 0.00 64.21 66.10 1wfj n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfj s ALA 19 N -1.93 -0.55 -0.04 7.33 0.00 -0.99 0.13 121.76 125.72 1wfj s ALA 19 Ca 0.13 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 1wfj s ALA 19 Cb -0.02 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1wfj s ALA 19 CO 0.10 -0.49 0.36 -1.59 0.00 0.00 0.00 175.76 174.14 1wfj s LYS 20 N -3.26 0.68 0.00 0.00 -2.85 -0.68 -3.23 119.74 110.41 1wfj s LYS 20 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 1wfj s LYS 20 Cb 0.02 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1wfj s LYS 20 CO -0.08 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.60 1wfj n GLY 21 N 1.45 1.24 0.00 0.59 0.00 -1.24 -1.25 105.19 105.99 1wfj n GLY 21 Ca -0.20 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1wfj n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfj n LEU 22 N 0.00 0.00 0.02 0.99 7.99 -1.26 -4.83 117.00 119.92 1wfj n LEU 22 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 1wfj n LEU 22 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1wfj n LEU 22 CO 0.00 -0.21 0.47 1.05 -1.51 0.00 0.00 177.39 177.19 1wfj h GLU 23 N 0.00 -0.12 -2.31 3.23 4.11 -2.00 -3.35 114.58 114.14 1wfj h GLU 23 Ca 0.00 0.01 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 1wfj h GLU 23 Cb 0.00 0.03 -0.36 0.00 0.50 0.00 0.00 28.75 28.92 1wfj h GLU 23 CO 0.00 0.40 0.06 -3.47 0.07 0.00 0.00 179.01 176.07 1wfj n ASP 24 N -4.86 5.57 -3.78 3.06 2.03 -1.26 -4.94 116.55 112.36 1wfj n ASP 24 Ca -0.08 -3.64 -0.29 0.00 0.52 0.00 0.00 54.79 51.29 1wfj n ASP 24 Cb 0.29 -0.84 -0.16 0.00 -0.72 0.00 0.00 41.12 39.69 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfj s ALA 25 N -3.62 1.44 -0.77 -1.67 0.00 -1.26 -5.02 121.76 110.87 1wfj s ALA 25 Ca 0.43 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1wfj s ALA 25 Cb 0.22 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.84 1wfj s ALA 25 CO -0.10 -1.37 1.94 -3.47 0.00 0.00 0.00 175.76 172.76 1wfj n ASP 26 N 4.88 3.74 -4.17 0.00 2.03 -1.26 -4.61 116.55 117.16 1wfj n ASP 26 Ca -0.07 -2.39 -0.31 0.00 0.52 0.00 0.00 54.79 52.55 1wfj n ASP 26 Cb 0.44 -1.03 -0.17 0.00 -0.72 0.00 0.00 41.12 39.65 1wfj n ASP 26 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1wfj s PHE 27 N 4.06 2.38 -1.34 -0.67 5.36 -1.26 -4.59 117.98 121.91 1wfj s PHE 27 Ca 0.41 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.36 1wfj s PHE 27 Cb 0.10 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 1wfj s PHE 27 CO 0.02 -0.44 0.00 1.28 -1.46 0.00 0.00 175.22 174.62 1wfj n LEU 28 N 3.71 -0.81 0.00 6.12 4.32 -1.26 -4.56 117.00 124.51 1wfj n LEU 28 Ca -0.20 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1wfj n LEU 28 Cb 0.52 -2.15 0.00 0.00 -1.62 0.00 0.00 43.42 40.18 1wfj n LEU 28 CO 0.27 -0.77 0.00 -3.20 -1.22 0.00 0.00 177.39 172.47 1wfj n ASN 29 N -0.45 0.00 -4.00 -1.43 2.85 -1.26 -2.20 115.26 108.77 1wfj n ASN 29 Ca -0.13 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.01 1wfj n ASN 29 Cb 0.47 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.40 1wfj n ASN 29 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wfj n ASN 30 N 0.00 1.85 -2.58 1.20 4.13 -1.26 -4.43 115.26 114.16 1wfj n ASN 30 Ca 0.00 -2.58 -0.10 0.00 1.68 0.00 0.00 54.58 53.58 1wfj n ASN 30 Cb 0.00 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.05 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 1wfj n MET 31 N 7.85 0.79 -3.23 3.52 0.00 -1.26 -5.10 117.12 119.69 1wfj n MET 31 Ca 0.46 -2.10 -0.24 0.00 0.00 0.00 0.00 57.70 55.82 1wfj n MET 31 Cb 0.44 2.31 -0.06 0.00 0.00 0.00 0.00 33.22 35.91 1wfj n MET 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1wfj n ASP 32 N -1.56 1.91 -4.81 3.17 9.92 -1.26 -4.34 116.55 119.59 1wfj n ASP 32 Ca -0.04 -3.09 -0.33 0.00 -0.53 0.00 0.00 54.79 50.80 1wfj n ASP 32 Cb 0.50 -0.64 0.01 0.00 -0.64 0.00 0.00 41.12 40.35 1wfj n ASP 32 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wfj s PRO 33 N -2.05 3.37 0.04 -0.24 0.04 -1.26 -2.16 135.00 132.75 1wfj s PRO 33 Ca 0.39 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1wfj s PRO 33 Cb 0.20 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1wfj s PRO 33 CO -0.08 -0.76 -0.11 1.52 0.04 0.00 0.00 177.00 177.61 1wfj s TYR 34 N -2.51 0.93 0.15 0.56 -0.85 0.85 -2.86 117.35 113.62 1wfj s TYR 34 Ca 0.63 -0.39 -0.10 0.00 -0.52 0.00 0.00 57.07 56.68 1wfj s TYR 34 Cb -0.15 -0.55 -0.06 0.00 0.38 0.00 0.00 41.96 41.58 1wfj s TYR 34 CO 0.37 -0.01 0.48 0.08 -1.52 0.00 0.00 175.55 174.96 1wfj s VAL 35 N -1.04 4.99 -0.37 -3.49 1.01 -1.26 0.50 120.40 120.75 1wfj s VAL 35 Ca -0.03 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1wfj s VAL 35 Cb -0.08 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.75 1wfj s VAL 35 CO 0.01 0.13 0.14 -1.58 0.00 0.00 0.00 175.10 173.80 1wfj s GLN 36 N -2.31 1.15 0.72 2.72 0.74 0.26 -2.32 119.66 120.62 1wfj s GLN 36 Ca 0.40 -1.64 -0.15 0.00 0.05 0.00 0.00 55.36 54.01 1wfj s GLN 36 Cb -0.13 -2.48 0.03 0.00 1.10 0.00 0.00 33.01 31.54 1wfj s GLN 36 CO 0.20 -1.03 1.20 -0.51 -0.55 0.00 0.00 175.29 174.60 1wfj s LEU 37 N 0.95 3.33 -0.24 3.68 1.43 0.56 -3.00 118.68 125.39 1wfj s LEU 37 Ca 0.13 2.33 -0.10 0.00 -1.03 0.00 0.00 54.13 55.46 1wfj s LEU 37 Cb -0.20 -4.59 0.10 0.00 0.03 0.00 0.00 46.19 41.53 1wfj s LEU 37 CO -0.12 -2.19 0.53 -0.89 0.23 0.00 0.00 176.35 173.91 1wfj s THR 38 N -2.00 -0.56 -0.39 5.49 2.01 -0.20 -0.95 115.64 119.05 1wfj s THR 38 Ca 0.74 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1wfj s THR 38 Cb -0.28 -0.81 0.16 0.00 0.01 0.00 0.00 72.50 71.57 1wfj s THR 38 CO 0.45 0.03 0.32 0.00 -0.69 0.00 0.00 174.62 174.73 1wfj n ARG 40 N 3.55 -4.42 -3.55 0.00 3.00 -1.26 -3.80 116.66 110.18 1wfj n ARG 40 Ca 0.19 3.16 -0.29 0.00 -0.01 0.00 0.00 57.85 60.90 1wfj n ARG 40 Cb 0.44 -3.78 -0.05 0.00 0.00 0.00 0.00 32.46 29.06 1wfj n ARG 40 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wfj n THR 41 N 1.89 -0.02 -4.12 0.55 5.66 -1.26 -4.84 114.28 112.14 1wfj n THR 41 Ca 0.00 -0.01 -0.15 0.00 -3.05 0.00 0.00 64.05 60.84 1wfj n THR 41 Cb 0.00 -0.35 -0.13 0.00 -1.55 0.00 0.00 70.33 68.30 1wfj n THR 41 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1wfj s GLN 42 N -5.21 0.49 -0.15 1.09 -0.21 -1.25 -5.14 119.66 109.28 1wfj s GLN 42 Ca 0.55 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 55.39 1wfj s GLN 42 Cb -0.32 -0.38 0.06 0.00 1.00 0.00 0.00 33.01 33.37 1wfj s GLN 42 CO 0.69 0.09 0.34 0.16 -2.12 0.00 0.00 175.29 174.45 1wfj s ASP 43 N -0.82 -0.25 -0.08 5.90 1.47 -1.26 -3.12 116.67 118.52 1wfj s ASP 43 Ca -0.03 0.76 -0.03 0.00 1.18 0.00 0.00 52.55 54.43 1wfj s ASP 43 Cb -0.06 0.77 0.04 0.00 -0.34 0.00 0.00 42.92 43.34 1wfj s ASP 43 CO 0.00 -0.20 0.15 -1.10 0.68 0.00 0.00 175.17 174.69 1wfj s GLN 44 N 1.78 0.03 0.22 2.11 -0.21 -0.12 -4.94 119.66 118.52 1wfj s GLN 44 Ca -0.06 0.50 0.06 0.00 0.02 0.00 0.00 55.36 55.88 1wfj s GLN 44 Cb -0.10 -0.28 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 1wfj s GLN 44 CO -0.11 -0.28 0.22 0.15 -2.12 0.00 0.00 175.29 173.15 1wfj s LYS 45 N 2.05 3.07 0.40 2.91 1.02 -1.26 0.21 119.74 128.14 1wfj s LYS 45 Ca 0.01 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.17 1wfj s LYS 45 Cb -0.12 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1wfj s LYS 45 CO -0.05 0.44 0.26 0.45 -0.92 0.00 0.00 175.35 175.53 1wfj s SER 46 N -3.61 4.75 0.49 2.83 0.15 -0.98 -4.97 113.70 112.37 1wfj s SER 46 Ca 0.33 -0.88 -0.20 0.00 0.70 0.00 0.00 55.95 55.89 1wfj s SER 46 Cb -0.09 -0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 63.55 1wfj s SER 46 CO 0.26 -0.55 0.60 0.59 1.20 0.00 0.00 173.24 175.33 1wfj n ASN 47 N -1.36 -0.65 -4.67 5.45 4.13 -1.26 -4.66 115.26 112.23 1wfj n ASN 47 Ca 0.01 0.84 -0.42 0.00 1.68 0.00 0.00 54.58 56.68 1wfj n ASN 47 Cb 0.63 -1.18 -0.03 0.00 -1.54 0.00 0.00 39.78 37.67 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 48 N -1.57 3.91 -0.99 2.41 1.01 -1.26 -4.80 120.40 119.12 1wfj s VAL 48 Ca 0.66 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 63.57 1wfj s VAL 48 Cb -0.52 -3.76 -0.20 0.00 0.00 0.00 0.00 36.38 31.90 1wfj s VAL 48 CO 0.56 -0.06 1.99 0.00 0.00 0.00 0.00 175.10 177.59 1wfj n ALA 49 N 6.22 0.96 -2.36 5.51 0.00 -1.14 -4.87 120.51 124.84 1wfj n ALA 49 Ca 0.14 -2.60 -0.43 0.00 0.00 0.00 0.00 53.44 50.56 1wfj n ALA 49 Cb 0.44 -3.45 -0.02 0.00 0.00 0.00 0.00 19.45 16.41 1wfj n ALA 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfj s GLU 50 N 7.52 4.26 -0.72 0.00 2.02 -1.26 -3.97 118.70 126.55 1wfj s GLU 50 Ca 0.75 1.76 -0.03 0.00 0.02 0.00 0.00 54.97 57.47 1wfj s GLU 50 Cb -0.00 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1wfj s GLU 50 CO 0.19 -0.66 0.51 0.41 0.02 0.00 0.00 175.26 175.73 1wfj n GLY 51 N 3.63 -1.06 0.06 -1.39 0.00 -1.26 -4.87 105.19 100.29 1wfj n GLY 51 Ca 0.14 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.58 1wfj n GLY 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wfj n MET 52 N -2.50 1.82 0.00 1.61 1.56 -1.25 -5.13 117.12 113.23 1wfj n MET 52 Ca -0.26 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.19 1wfj n MET 52 Cb 0.57 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 34.67 1wfj n MET 52 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wfj n GLY 53 N 2.46 -1.25 0.00 -5.12 0.00 -1.26 -4.42 105.19 95.60 1wfj n GLY 53 Ca -0.19 -2.11 0.05 0.00 0.00 0.00 0.00 46.02 43.77 1wfj n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfj n THR 54 N 0.00 1.07 -3.43 2.61 -2.24 -0.93 -3.37 114.28 107.98 1wfj n THR 54 Ca 0.00 0.27 -0.26 0.00 -2.27 0.00 0.00 64.05 61.78 1wfj n THR 54 Cb 0.00 -1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 1wfj n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfj n THR 55 N -1.40 0.98 -2.46 4.28 -2.24 -1.26 -3.68 114.28 108.49 1wfj n THR 55 Ca 0.03 -4.62 -0.42 0.00 -2.27 0.00 0.00 64.05 56.77 1wfj n THR 55 Cb 0.10 -2.03 -0.03 0.00 -2.10 0.00 0.00 70.33 66.28 1wfj n THR 55 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wfj s PRO 56 N -1.67 4.43 -0.07 -0.78 0.04 -1.20 -4.83 135.00 130.93 1wfj s PRO 56 Ca 0.35 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1wfj s PRO 56 Cb 0.11 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1wfj s PRO 56 CO -0.09 -0.26 -0.08 -2.00 0.04 0.00 0.00 177.00 174.61 1wfj s GLU 57 N 1.22 2.75 -0.08 4.56 2.12 -1.26 -2.35 118.70 125.66 1wfj s GLU 57 Ca 0.58 -0.57 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1wfj s GLU 57 Cb -0.28 -2.57 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 1wfj s GLU 57 CO 0.28 0.64 -0.08 0.91 -0.54 0.00 0.00 175.26 176.46 1wfj n TRP 58 N 2.30 0.00 -2.93 5.30 8.01 0.22 -4.96 117.44 125.38 1wfj n TRP 58 Ca -0.18 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.86 1wfj n TRP 58 Cb 0.53 -0.31 -0.01 0.00 -2.01 0.00 0.00 31.31 29.51 1wfj n TRP 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1wfj n ASN 59 N -2.92 -2.95 -2.43 -0.99 3.02 0.29 -4.91 115.26 104.38 1wfj n ASN 59 Ca -0.15 -0.04 -0.05 0.00 -0.03 0.00 0.00 54.58 54.31 1wfj n ASN 59 Cb 0.64 -2.52 0.03 0.00 -0.61 0.00 0.00 39.78 37.33 1wfj n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wfj n GLU 60 N -3.15 0.17 -3.69 3.52 -0.58 -0.87 -4.88 120.64 111.15 1wfj n GLU 60 Ca -0.04 -0.46 -0.11 0.00 -0.42 0.00 0.00 57.16 56.13 1wfj n GLU 60 Cb 0.55 -0.18 -0.11 0.00 -0.57 0.00 0.00 31.44 31.12 1wfj n GLU 60 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wfj s THR 61 N -0.89 -0.16 -0.06 2.62 2.01 -1.26 -2.77 115.64 115.13 1wfj s THR 61 Ca 0.13 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1wfj s THR 61 Cb -0.01 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1wfj s THR 61 CO 0.09 0.06 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.63 1wfj s PHE 62 N 1.66 1.19 -0.09 4.92 0.08 0.35 -4.96 117.98 121.12 1wfj s PHE 62 Ca -0.07 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 1wfj s PHE 62 Cb -0.10 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1wfj s PHE 62 CO -0.11 -0.26 0.21 0.42 -0.10 0.00 0.00 175.22 175.37 1wfj s ILE 63 N 0.83 5.39 -0.06 0.64 -1.09 -1.26 0.11 121.20 125.77 1wfj s ILE 63 Ca -0.12 0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1wfj s ILE 63 Cb -0.15 -3.48 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1wfj s ILE 63 CO 0.02 0.60 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.95 1wfj s PHE 64 N -1.05 0.64 -0.07 3.97 0.08 0.11 -4.97 117.98 116.70 1wfj s PHE 64 Ca 0.18 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 1wfj s PHE 64 Cb -0.13 -0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 1wfj s PHE 64 CO 0.07 -0.25 1.66 0.99 -0.10 0.00 0.00 175.22 177.58 1wfj s THR 65 N 1.46 3.59 0.04 0.64 2.01 -1.26 -1.13 115.64 120.98 1wfj s THR 65 Ca -0.03 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.70 1wfj s THR 65 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1wfj s THR 65 CO -0.03 -0.08 0.04 -0.69 -0.69 0.00 0.00 174.62 173.17 1wfj s VAL 66 N 4.17 4.34 0.00 3.82 1.01 0.25 -4.87 120.40 129.12 1wfj s VAL 66 Ca 0.74 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1wfj s VAL 66 Cb -0.33 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1wfj s VAL 66 CO 0.29 0.26 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 1wfj n SER 67 N 0.95 0.00 -2.10 3.32 2.88 -1.26 -2.03 113.62 115.38 1wfj n SER 67 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wfj n SER 67 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1wfj n SER 67 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wfj n GLU 68 N -0.53 0.30 0.19 -1.46 4.71 -1.26 -4.81 120.64 117.78 1wfj n GLU 68 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 1wfj n GLU 68 Cb 0.00 0.00 0.65 0.00 -1.01 0.00 0.00 31.44 31.08 1wfj n GLU 68 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1wfj h GLY 69 N 0.00 0.00 -6.64 0.62 0.00 -1.95 -3.43 103.07 91.67 1wfj h GLY 69 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1wfj h GLY 69 CO 0.00 0.00 1.73 2.41 0.00 0.00 0.00 176.54 180.68 1wfj n THR 70 N -2.35 0.00 -1.71 4.70 -1.04 -1.26 -4.67 114.28 107.95 1wfj n THR 70 Ca -0.02 -0.11 0.06 0.00 -2.04 0.00 0.00 64.05 61.94 1wfj n THR 70 Cb 0.09 -0.36 0.14 0.00 -1.82 0.00 0.00 70.33 68.37 1wfj n THR 70 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wfj n THR 71 N 6.67 1.50 -3.55 12.58 -2.24 -1.26 -4.81 114.28 123.17 1wfj n THR 71 Ca 0.63 -2.30 -0.10 0.00 -2.27 0.00 0.00 64.05 60.01 1wfj n THR 71 Cb 0.05 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1wfj n THR 71 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wfj s GLU 72 N -2.22 0.66 0.06 -0.78 -1.05 -1.26 -1.49 118.70 112.62 1wfj s GLU 72 Ca 0.33 -0.00 0.06 0.00 -0.15 0.00 0.00 54.97 55.21 1wfj s GLU 72 Cb 0.32 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.29 1wfj s GLU 72 CO -0.06 -0.24 -0.13 -1.17 0.95 0.00 0.00 175.26 174.60 1wfj s LEU 73 N -1.60 2.85 -0.30 1.83 2.96 0.83 -4.82 118.68 120.44 1wfj s LEU 73 Ca 0.01 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 1wfj s LEU 73 Cb -0.01 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1wfj s LEU 73 CO -0.02 0.23 0.06 -0.54 -1.32 0.00 0.00 176.35 174.77 1wfj s LYS 74 N -1.69 2.87 -0.37 1.98 3.01 -0.43 -0.94 119.74 124.16 1wfj s LYS 74 Ca 0.17 -1.00 -0.05 0.00 -1.01 0.00 0.00 55.97 54.08 1wfj s LYS 74 Cb -0.11 -3.33 0.07 0.00 -1.01 0.00 0.00 37.83 33.45 1wfj s LYS 74 CO 0.08 -0.52 0.15 0.00 0.51 0.00 0.00 175.35 175.57 1wfj s ALA 75 N 1.43 3.08 -0.10 5.17 0.00 -0.88 -1.04 121.76 129.42 1wfj s ALA 75 Ca 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 51.96 49.88 1wfj s ALA 75 Cb -0.18 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1wfj s ALA 75 CO 0.01 -1.53 -0.03 0.15 0.00 0.00 0.00 175.76 174.37 1wfj s LYS 76 N 1.30 3.15 -0.15 0.00 1.02 -1.16 -0.69 119.74 123.21 1wfj s LYS 76 Ca 0.01 -0.48 -0.06 0.00 0.02 0.00 0.00 55.97 55.46 1wfj s LYS 76 Cb -0.21 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1wfj s LYS 76 CO -0.00 0.54 0.06 0.42 -0.92 0.00 0.00 175.35 175.44 1wfj s ILE 77 N -0.45 4.75 0.06 2.17 1.09 0.45 0.92 121.20 130.20 1wfj s ILE 77 Ca 0.07 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1wfj s ILE 77 Cb -0.12 -3.10 -0.00 0.00 -1.06 0.00 0.00 42.46 38.18 1wfj s ILE 77 CO 0.02 0.52 0.03 0.49 -0.10 0.00 0.00 174.94 175.90 1wfj n PHE 78 N 2.99 -0.01 -4.96 3.97 3.72 0.18 0.18 117.46 123.53 1wfj n PHE 78 Ca -0.18 -0.42 -0.32 0.00 -0.05 0.00 0.00 57.45 56.48 1wfj n PHE 78 Cb 0.53 0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.93 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wfj s ASP 79 N -1.39 3.69 0.43 4.37 2.15 -1.26 -0.11 116.67 124.55 1wfj s ASP 79 Ca 0.04 -0.38 0.29 0.00 0.43 0.00 0.00 52.55 52.92 1wfj s ASP 79 Cb 0.00 -1.36 1.40 0.00 -0.30 0.00 0.00 42.92 42.66 1wfj s ASP 79 CO 0.03 0.20 1.63 0.07 -0.17 0.00 0.00 175.17 176.92 1wfj h LYS 80 N 6.43 0.09 -1.72 4.34 2.10 -1.76 1.52 116.57 127.57 1wfj h LYS 80 Ca -0.28 -0.01 -0.49 0.00 -2.00 0.00 0.00 60.65 57.88 1wfj h LYS 80 Cb 1.21 -0.02 -0.19 0.00 -0.90 0.00 0.00 32.23 32.33 1wfj h LYS 80 CO 0.52 0.06 0.52 -3.47 -2.00 0.00 0.00 179.45 175.08 1wfj n ASP 81 N -4.73 6.72 -3.55 7.07 2.03 -1.26 -4.85 116.55 117.98 1wfj n ASP 81 Ca 0.37 -3.29 -0.15 0.00 0.52 0.00 0.00 54.79 52.24 1wfj n ASP 81 Cb 1.40 -1.13 -0.05 0.00 -0.72 0.00 0.00 41.12 40.61 1wfj n ASP 81 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wfj s VAL 82 N -2.83 0.02 -0.14 5.18 1.01 0.52 -5.14 120.40 119.02 1wfj s VAL 82 Ca 0.50 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 1wfj s VAL 82 Cb 0.36 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1wfj s VAL 82 CO -0.14 -0.08 0.16 -0.83 0.00 0.00 0.00 175.10 174.21 1wfj s GLY 83 N -1.73 2.13 0.49 4.51 0.00 -1.26 -4.68 107.32 106.79 1wfj s GLY 83 Ca -0.07 -0.63 0.44 0.00 0.00 0.00 0.00 44.72 44.46 1wfj s GLY 83 CO 0.02 -0.13 1.42 -1.30 0.00 0.00 0.00 173.10 173.10 1wfj n THR 84 N 2.59 -0.03 -2.52 0.90 -2.24 -1.26 0.11 114.28 111.84 1wfj n THR 84 Ca -0.18 1.39 -0.36 0.00 -2.27 0.00 0.00 64.05 62.63 1wfj n THR 84 Cb 0.54 -2.31 0.01 0.00 -2.10 0.00 0.00 70.33 66.46 1wfj n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wfj n GLU 85 N -3.84 4.10 0.03 -0.78 1.02 -1.26 -4.59 120.64 115.31 1wfj n GLU 85 Ca 0.40 -4.43 0.00 0.00 -0.02 0.00 0.00 57.16 53.11 1wfj n GLU 85 Cb 1.79 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1wfj n GLU 85 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfj n ASP 86 N -0.26 0.00 -3.21 1.62 -0.08 0.31 -5.12 116.55 109.81 1wfj n ASP 86 Ca 0.44 0.09 0.04 0.00 -1.51 0.00 0.00 54.79 53.86 1wfj n ASP 86 Cb 0.33 0.06 -0.03 0.00 2.34 0.00 0.00 41.12 43.83 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wfj s ASP 87 N -4.36 -0.36 0.06 1.67 2.15 -1.25 -5.04 116.67 109.53 1wfj s ASP 87 Ca 0.00 0.33 -0.24 0.00 0.43 0.00 0.00 52.55 53.07 1wfj s ASP 87 Cb 0.00 1.34 -0.06 0.00 -0.30 0.00 0.00 42.92 43.90 1wfj s ASP 87 CO 0.00 -0.07 0.73 0.00 -0.17 0.00 0.00 175.17 175.67 1wfj s ALA 88 N 2.66 3.41 0.27 3.66 0.00 -1.26 -4.61 121.76 125.89 1wfj s ALA 88 Ca -0.02 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 1wfj s ALA 88 Cb -0.07 -2.94 0.35 0.00 0.00 0.00 0.00 23.12 20.46 1wfj s ALA 88 CO -0.13 0.13 1.93 -0.39 0.00 0.00 0.00 175.76 177.30 1wfj h VAL 89 N 3.98 1.23 -2.63 0.00 -1.51 0.16 -3.46 116.25 114.02 1wfj h VAL 89 Ca -0.45 -0.47 0.13 0.00 -1.23 0.00 0.00 66.70 64.67 1wfj h VAL 89 Cb 1.21 -0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 30.27 1wfj h VAL 89 CO 0.70 0.24 0.37 -0.83 -1.23 0.00 0.00 177.57 176.82 1wfj s GLY 90 N -3.25 -0.20 0.12 5.19 0.00 -1.04 -4.79 107.32 103.35 1wfj s GLY 90 Ca -0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 1wfj s GLY 90 CO 0.81 -0.02 0.29 -1.83 0.00 0.00 0.00 173.10 172.35 1wfj s GLU 91 N -3.55 1.00 0.05 2.90 4.04 0.35 0.17 118.70 123.66 1wfj s GLU 91 Ca 0.11 -0.90 -0.14 0.00 0.04 0.00 0.00 54.97 54.08 1wfj s GLU 91 Cb -0.03 0.40 0.02 0.00 0.02 0.00 0.00 34.13 34.54 1wfj s GLU 91 CO 0.03 -0.36 0.32 0.00 -1.84 0.00 0.00 175.26 173.41 1wfj s ALA 92 N -3.86 -0.72 -0.30 -0.84 0.00 0.13 -0.77 121.76 115.41 1wfj s ALA 92 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1wfj s ALA 92 Cb 0.03 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.53 1wfj s ALA 92 CO -0.09 -0.43 0.03 0.99 0.00 0.00 0.00 175.76 176.26 1wfj s THR 93 N -2.64 3.35 -0.43 0.00 2.01 -1.26 -2.07 115.64 114.60 1wfj s THR 93 Ca -0.04 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 1wfj s THR 93 Cb -0.01 -2.85 0.08 0.00 0.01 0.00 0.00 72.50 69.74 1wfj s THR 93 CO -0.04 -0.04 0.29 -0.63 -0.69 0.00 0.00 174.62 173.51 1wfj s ILE 94 N 1.35 4.33 0.22 1.82 1.09 -0.12 -4.94 121.20 124.96 1wfj s ILE 94 Ca -0.02 -1.43 -0.30 0.00 -1.10 0.00 0.00 60.65 57.80 1wfj s ILE 94 Cb -0.19 -3.68 -0.08 0.00 -1.06 0.00 0.00 42.46 37.45 1wfj s ILE 94 CO 0.00 -0.56 1.10 -2.16 -0.10 0.00 0.00 174.94 173.22 1wfj s PRO 95 N 1.44 4.61 -0.10 2.79 0.04 -1.26 0.29 135.00 142.81 1wfj s PRO 95 Ca 0.04 1.76 0.16 0.00 0.04 0.00 0.00 61.00 62.99 1wfj s PRO 95 Cb -0.24 -3.24 0.63 0.00 0.04 0.00 0.00 34.50 31.69 1wfj s PRO 95 CO 0.02 0.13 1.51 1.28 0.04 0.00 0.00 177.00 179.98 1wfj n LEU 96 N 1.90 4.18 0.09 -3.56 4.77 -0.56 -4.14 117.00 119.69 1wfj n LEU 96 Ca 0.01 -2.11 -0.06 0.00 -0.03 0.00 0.00 56.01 53.82 1wfj n LEU 96 Cb 0.45 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1wfj n LEU 96 CO 0.54 0.71 0.40 -0.08 -1.33 0.00 0.00 177.39 177.63 1wfj h GLU 97 N 3.53 0.21 0.00 3.23 4.81 -1.92 0.35 114.58 124.79 1wfj h GLU 97 Ca 0.00 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1wfj h GLU 97 Cb 1.29 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1wfj h GLU 97 CO 0.21 0.82 -0.56 -1.00 -0.73 0.00 0.00 179.01 177.75 1wfj h PRO 98 N 0.14 0.00 0.00 0.92 0.13 -1.93 -3.03 132.00 128.23 1wfj h PRO 98 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 1wfj h PRO 98 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1wfj h PRO 98 CO 0.11 0.56 -1.49 1.33 -0.23 0.00 0.00 178.00 178.28 1wfj n VAL 99 N -3.50 1.08 0.27 1.56 0.24 -1.15 -1.62 118.33 115.19 1wfj n VAL 99 Ca 0.00 -0.68 0.14 0.00 -2.04 0.00 0.00 64.34 61.77 1wfj n VAL 99 Cb 0.65 -0.64 0.70 0.00 -1.47 0.00 0.00 33.84 33.08 1wfj n VAL 99 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1wfj h PHE 100 N 0.00 0.00 0.00 6.34 -1.00 -0.22 1.81 116.94 123.87 1wfj h PHE 100 Ca -0.17 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.33 1wfj h PHE 100 Cb 1.55 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 41.06 1wfj h PHE 100 CO 0.00 0.10 -2.01 1.33 -1.61 0.00 0.00 178.31 176.12 1wfj n VAL 101 N -3.36 1.00 0.06 -0.55 0.24 -1.15 -4.61 118.33 109.96 1wfj n VAL 101 Ca -0.01 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 1wfj n VAL 101 Cb 0.29 -1.46 -0.05 0.00 -1.47 0.00 0.00 33.84 31.15 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1wfj h GLU 102 N -0.36 0.45 0.00 7.34 4.39 -1.33 -3.47 114.58 121.60 1wfj h GLU 102 Ca -0.43 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 58.79 1wfj h GLU 102 Cb 1.49 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1wfj h GLU 102 CO -0.18 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.21 1wfj n GLY 103 N 0.95 1.97 3.60 -3.84 0.00 0.62 -4.94 105.19 103.54 1wfj n GLY 103 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1wfj n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfj s SER 104 N -3.34 -0.77 -0.00 1.61 1.04 -1.25 -2.42 113.70 108.56 1wfj s SER 104 Ca 0.00 1.17 0.04 0.00 0.48 0.00 0.00 55.95 57.64 1wfj s SER 104 Cb 0.00 1.54 -0.01 0.00 0.10 0.00 0.00 66.02 67.65 1wfj s SER 104 CO 0.00 -0.18 -0.13 -0.63 0.98 0.00 0.00 173.24 173.28 1wfj s ILE 105 N 1.91 1.02 0.84 -1.02 -1.09 0.17 -4.87 121.20 118.17 1wfj s ILE 105 Ca -0.08 -0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 57.61 1wfj s ILE 105 Cb -0.06 -0.87 0.10 0.00 -1.58 0.00 0.00 42.46 40.05 1wfj s ILE 105 CO -0.18 0.24 1.11 -2.16 -1.23 0.00 0.00 174.94 172.73 1wfj s PRO 106 N -0.44 1.69 -0.36 2.79 0.04 -1.26 -2.07 135.00 135.40 1wfj s PRO 106 Ca 0.04 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 1wfj s PRO 106 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wfj s PRO 106 CO -0.00 -1.86 1.38 -1.25 0.04 0.00 0.00 177.00 175.31 1wfj s PRO 107 N -5.21 3.72 0.03 0.56 0.04 -1.26 -4.31 135.00 128.58 1wfj s PRO 107 Ca 0.62 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1wfj s PRO 107 Cb -0.15 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 1wfj s PRO 107 CO 0.54 -1.37 -0.17 0.99 0.04 0.00 0.00 177.00 177.03 1wfj s THR 108 N 4.99 2.85 -0.73 1.26 2.01 -1.11 -4.67 115.64 120.24 1wfj s THR 108 Ca 0.60 -1.12 -0.26 0.00 0.31 0.00 0.00 61.69 61.22 1wfj s THR 108 Cb -0.15 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1wfj s THR 108 CO 0.29 0.37 1.82 0.00 -0.69 0.00 0.00 174.62 176.40 1wfj s ALA 109 N -0.90 2.10 0.22 7.40 0.00 -1.25 -2.70 121.76 126.62 1wfj s ALA 109 Ca 0.14 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1wfj s ALA 109 Cb -0.11 -4.39 -0.09 0.00 0.00 0.00 0.00 23.12 18.54 1wfj s ALA 109 CO 0.05 -4.10 0.97 0.71 0.00 0.00 0.00 175.76 173.39 1wfj s TYR 110 N 8.89 3.89 -0.07 0.00 2.02 0.40 -4.57 117.35 127.91 1wfj s TYR 110 Ca 0.64 1.86 -0.35 0.00 -0.37 0.00 0.00 57.07 58.85 1wfj s TYR 110 Cb -0.10 -3.05 -0.13 0.00 -0.40 0.00 0.00 41.96 38.29 1wfj s TYR 110 CO 0.12 0.23 1.81 0.09 -1.57 0.00 0.00 175.55 176.24 1wfj n ASN 111 N 1.69 3.26 -4.31 2.29 4.13 -1.26 -0.03 115.26 121.03 1wfj n ASN 111 Ca -0.01 1.00 -0.38 0.00 1.68 0.00 0.00 54.58 56.87 1wfj n ASN 111 Cb 0.47 -1.35 -0.12 0.00 -1.54 0.00 0.00 39.78 37.23 1wfj n ASN 111 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 112 N 3.48 3.91 0.46 2.41 1.01 0.32 -4.38 120.40 127.61 1wfj s VAL 112 Ca 0.91 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1wfj s VAL 112 Cb -0.73 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1wfj s VAL 112 CO 0.51 -0.09 0.26 0.68 0.00 0.00 0.00 175.10 176.46 1wfj s VAL 113 N 1.45 2.04 -0.38 2.92 -7.23 0.05 0.14 120.40 119.39 1wfj s VAL 113 Ca 0.00 -1.61 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1wfj s VAL 113 Cb -0.19 -2.65 0.17 0.00 0.56 0.00 0.00 36.38 34.27 1wfj s VAL 113 CO 0.03 0.00 0.50 -0.75 -0.31 0.00 0.00 175.10 174.57 1wfj s LYS 114 N -4.05 0.69 0.00 4.82 2.47 0.14 -0.49 119.74 123.32 1wfj s LYS 114 Ca 0.36 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 1wfj s LYS 114 Cb 0.01 -0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.09 1wfj s LYS 114 CO 0.21 -1.17 0.00 -3.47 0.16 0.00 0.00 175.35 171.08 1wfj n ASP 115 N 4.49 0.00 0.00 1.43 2.03 -1.26 -3.44 116.55 119.79 1wfj n ASP 115 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1wfj n ASP 115 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wfj n GLU 116 N -0.41 0.00 -3.13 -0.67 0.28 -1.26 -5.14 120.64 110.31 1wfj n GLU 116 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1wfj n GLU 116 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 1wfj n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wfj s GLU 117 N 0.00 3.92 -0.52 3.44 0.41 -1.22 -5.01 118.70 119.71 1wfj s GLU 117 Ca 0.00 0.56 -0.24 0.00 -0.41 0.00 0.00 54.97 54.88 1wfj s GLU 117 Cb 0.00 -2.46 0.04 0.00 -1.78 0.00 0.00 34.13 29.93 1wfj s GLU 117 CO 0.00 0.14 0.91 -0.47 -0.49 0.00 0.00 175.26 175.35 1wfj s TYR 118 N -2.04 2.85 0.04 1.61 5.04 -1.26 0.28 117.35 123.87 1wfj s TYR 118 Ca 0.52 0.05 -0.18 0.00 -2.44 0.00 0.00 57.07 55.03 1wfj s TYR 118 Cb -0.10 -3.99 -0.21 0.00 0.35 0.00 0.00 41.96 38.01 1wfj s TYR 118 CO 0.21 -1.26 1.18 0.87 -1.34 0.00 0.00 175.55 175.21 1wfj h LYS 119 N 9.22 0.52 0.00 4.97 1.79 0.92 -3.48 116.57 130.51 1wfj h LYS 119 Ca -0.26 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.72 1wfj h LYS 119 Cb 1.08 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1wfj h LYS 119 CO 1.06 1.12 0.00 0.41 -1.08 0.00 0.00 179.45 180.96 1wfj n GLY 120 N 0.90 -0.79 3.17 3.86 0.00 -0.36 -3.99 105.19 107.97 1wfj n GLY 120 Ca -0.09 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 1wfj n GLY 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 121 N -0.90 0.84 -0.09 1.61 -1.05 -0.38 0.12 118.70 118.84 1wfj s GLU 121 Ca 0.00 -1.07 0.01 0.00 -0.15 0.00 0.00 54.97 53.76 1wfj s GLU 121 Cb 0.00 -0.66 0.02 0.00 -0.44 0.00 0.00 34.13 33.05 1wfj s GLU 121 CO 0.00 0.13 -0.10 -1.50 0.95 0.00 0.00 175.26 174.74 1wfj s ILE 122 N -1.92 1.07 -0.13 1.83 2.07 0.96 -1.68 121.20 123.41 1wfj s ILE 122 Ca 0.02 -0.37 -0.24 0.00 -1.41 0.00 0.00 60.65 58.65 1wfj s ILE 122 Cb -0.06 -1.04 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 1wfj s ILE 122 CO 0.01 0.36 0.74 0.26 -1.91 0.00 0.00 174.94 174.40 1wfj s TRP 123 N 1.22 3.48 -0.17 3.50 0.52 0.34 0.15 118.94 127.98 1wfj s TRP 123 Ca -0.04 1.19 -0.11 0.00 0.02 0.00 0.00 56.10 57.16 1wfj s TRP 123 Cb -0.14 -2.88 0.06 0.00 -1.15 0.00 0.00 33.47 29.35 1wfj s TRP 123 CO -0.03 -0.08 0.42 0.08 0.02 0.00 0.00 176.95 177.36 1wfj s VAL 124 N 1.50 -0.02 -0.09 4.03 1.01 -1.10 -2.88 120.40 122.85 1wfj s VAL 124 Ca 0.36 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1wfj s VAL 124 Cb -0.17 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1wfj s VAL 124 CO 0.15 0.03 -0.19 0.00 0.00 0.00 0.00 175.10 175.09 1wfj s ALA 125 N 1.13 2.41 0.14 5.51 0.00 -0.94 -2.74 121.76 127.27 1wfj s ALA 125 Ca -0.07 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 50.97 1wfj s ALA 125 Cb -0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1wfj s ALA 125 CO -0.10 0.37 0.07 -0.51 0.00 0.00 0.00 175.76 175.59 1wfj s LEU 126 N -0.03 3.64 -0.39 0.00 1.43 -0.88 -0.08 118.68 122.36 1wfj s LEU 126 Ca -0.05 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1wfj s LEU 126 Cb -0.14 -2.29 0.31 0.00 0.03 0.00 0.00 46.19 44.09 1wfj s LEU 126 CO 0.05 0.11 0.69 -0.24 0.23 0.00 0.00 176.35 177.19 1wfj n SER 127 N 0.03 0.20 -4.69 2.29 2.88 0.49 0.43 113.62 115.25 1wfj n SER 127 Ca -0.09 -2.96 -0.43 0.00 -1.33 0.00 0.00 58.87 54.05 1wfj n SER 127 Cb 0.54 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1wfj n SER 127 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1wfj n PHE 128 N 0.74 2.29 -3.84 0.66 7.35 -1.01 -3.12 117.46 120.53 1wfj n PHE 128 Ca 0.21 0.49 -0.30 0.00 -0.76 0.00 0.00 57.45 57.10 1wfj n PHE 128 Cb 0.62 -2.44 -0.14 0.00 0.35 0.00 0.00 39.48 37.86 1wfj n PHE 128 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1wfj s LYS 129 N -1.32 1.22 0.34 -4.13 1.02 0.29 -4.42 119.74 112.74 1wfj s LYS 129 Ca 0.60 -1.72 -0.26 0.00 0.02 0.00 0.00 55.97 54.61 1wfj s LYS 129 Cb -0.59 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.04 1wfj s LYS 129 CO 0.57 -1.03 1.06 -1.25 -0.92 0.00 0.00 175.35 173.79 1wfj s PRO 130 N 0.88 4.39 -0.73 -1.68 0.04 -1.26 -0.85 135.00 135.79 1wfj s PRO 130 Ca 0.13 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1wfj s PRO 130 Cb -0.21 -2.84 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1wfj s PRO 130 CO -0.11 0.03 1.90 0.43 0.04 0.00 0.00 177.00 179.29 1wfj n SER 131 N 0.52 3.50 -1.42 6.66 7.64 -1.24 -4.79 113.62 124.49 1wfj n SER 131 Ca 0.02 -2.39 0.11 0.00 1.01 0.00 0.00 58.87 57.63 1wfj n SER 131 Cb 0.47 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 62.61 1wfj n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfj n GLY 132 N 4.05 -3.20 3.81 0.23 0.00 -1.26 -4.87 105.19 103.96 1wfj n GLY 132 Ca 0.40 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1wfj n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 133 N -4.70 3.23 -1.25 1.61 0.04 -1.26 -4.96 135.00 127.71 1wfj s PRO 133 Ca 0.00 1.09 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 1wfj s PRO 133 Cb 0.00 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1wfj s PRO 133 CO 0.00 -0.87 1.61 0.43 0.04 0.00 0.00 177.00 178.21 1wfj n SER 134 N -2.39 5.08 0.05 6.66 7.64 -1.26 -4.47 113.62 124.94 1wfj n SER 134 Ca 0.08 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1wfj n SER 134 Cb 0.53 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1wfj n SER 134 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfj n SER 135 N 5.84 0.96 0.00 6.43 2.88 -1.26 -5.32 113.62 123.15 1wfj n SER 135 Ca 0.40 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1wfj n SER 135 Cb 0.42 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42