#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 -0.16 -0.30 1.61 0.15 -1.26 -5.14 113.70 108.61 1wfj s SER 2 Ca 0.00 0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.66 1wfj s SER 2 Cb 0.00 1.12 0.19 0.00 -1.71 0.00 0.00 66.02 65.62 1wfj s SER 2 CO 0.00 -0.03 0.85 -0.94 1.20 0.00 0.00 173.24 174.32 1wfj s SER 3 N 2.98 -0.92 0.00 5.45 1.04 -1.26 -5.15 113.70 115.84 1wfj s SER 3 Ca 0.06 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1wfj s SER 3 Cb -0.06 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.73 1wfj s SER 3 CO -0.13 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1wfj n GLY 4 N 5.35 3.74 3.65 7.32 0.00 -1.26 -5.17 105.19 118.81 1wfj n GLY 4 Ca 0.02 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.01 0.27 1.61 0.15 -1.26 -5.19 113.70 109.26 1wfj s SER 5 Ca 0.00 0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.46 1wfj s SER 5 Cb 0.00 0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1wfj s SER 5 CO 0.00 -0.02 0.67 -0.55 1.20 0.00 0.00 173.24 174.54 1wfj s SER 6 N -1.43 -0.25 0.00 5.45 0.15 -1.26 -5.19 113.70 111.18 1wfj s SER 6 Ca 0.10 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wfj s SER 6 Cb -0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1wfj s SER 6 CO -0.06 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.71 1wfj n GLY 7 N -0.44 1.51 0.97 9.45 0.00 -1.26 -5.18 105.19 110.24 1wfj n GLY 7 Ca -0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.95 -3.57 1.61 -0.04 -1.26 -5.11 135.00 125.69 1wfj n PRO 8 Ca 0.00 -0.50 -0.01 0.00 -0.04 0.00 0.00 63.50 62.95 1wfj n PRO 8 Cb 0.00 -0.40 -0.06 0.00 -0.04 0.00 0.00 33.50 33.01 1wfj n PRO 8 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1wfj s HIS 9 N -1.65 -0.56 0.00 0.54 -3.43 -1.26 -4.62 115.29 104.32 1wfj s HIS 9 Ca 0.19 1.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 1wfj s HIS 9 Cb -0.01 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 1wfj s HIS 9 CO 0.14 -0.28 0.00 0.41 -2.00 0.00 0.00 174.74 173.01 1wfj n GLY 10 N 4.05 -0.82 3.56 -1.38 0.00 -1.18 -2.61 105.19 106.82 1wfj n GLY 10 Ca -0.15 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.84 3.15 0.13 2.61 2.01 0.24 -0.94 115.64 119.01 1wfj s THR 11 Ca 0.00 -1.69 0.11 0.00 0.31 0.00 0.00 61.69 60.42 1wfj s THR 11 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1wfj s THR 11 CO 0.00 -0.12 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.34 1wfj s LEU 12 N -2.84 2.39 -0.11 4.42 2.96 0.01 0.15 118.68 125.65 1wfj s LEU 12 Ca 0.25 -0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1wfj s LEU 12 Cb -0.09 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.36 1wfj s LEU 12 CO 0.15 0.18 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.57 1wfj s GLU 13 N -2.12 1.61 -0.33 1.98 2.12 0.13 -1.85 118.70 120.24 1wfj s GLU 13 Ca 0.15 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1wfj s GLU 13 Cb -0.10 -1.62 0.06 0.00 0.26 0.00 0.00 34.13 32.73 1wfj s GLU 13 CO 0.07 -0.24 0.06 0.08 -0.54 0.00 0.00 175.26 174.68 1wfj s VAL 14 N 1.61 3.21 -0.49 3.70 1.01 0.11 -0.69 120.40 128.86 1wfj s VAL 14 Ca 0.04 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 1wfj s VAL 14 Cb -0.13 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1wfj s VAL 14 CO -0.08 -0.22 0.46 -0.69 0.00 0.00 0.00 175.10 174.57 1wfj s VAL 15 N 1.26 5.15 -0.88 2.92 1.01 0.19 -0.43 120.40 129.61 1wfj s VAL 15 Ca -0.02 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1wfj s VAL 15 Cb -0.20 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.04 1wfj s VAL 15 CO -0.01 -0.67 1.28 -0.22 0.00 0.00 0.00 175.10 175.49 1wfj s LEU 16 N 1.87 3.79 0.00 3.92 2.96 -1.10 -1.12 118.68 129.01 1wfj s LEU 16 Ca 0.06 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 52.75 1wfj s LEU 16 Cb -0.24 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1wfj s LEU 16 CO 0.07 -1.51 0.08 0.52 -1.32 0.00 0.00 176.35 174.19 1wfj n VAL 17 N 6.39 0.00 -3.65 1.68 0.31 -1.01 0.20 118.33 122.25 1wfj n VAL 17 Ca 0.19 0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 64.80 1wfj n VAL 17 Cb 0.49 -0.79 -0.01 0.00 -0.91 0.00 0.00 33.84 32.63 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 -0.17 -0.32 -3.63 4.52 3.41 -1.19 -0.01 113.62 116.24 1wfj n SER 18 Ca 0.00 -1.43 -0.06 0.00 -0.26 0.00 0.00 58.87 57.12 1wfj n SER 18 Cb 0.00 0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.81 -1.41 0.26 7.33 0.00 -1.19 0.63 121.76 125.56 1wfj s ALA 19 Ca 0.06 1.70 0.08 0.00 0.00 0.00 0.00 51.96 53.81 1wfj s ALA 19 Cb -0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1wfj s ALA 19 CO 0.05 -0.84 0.08 0.15 0.00 0.00 0.00 175.76 175.20 1wfj s LYS 20 N 2.69 2.57 0.00 0.00 1.02 -0.76 -3.73 119.74 121.53 1wfj s LYS 20 Ca -0.02 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1wfj s LYS 20 Cb -0.12 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1wfj s LYS 20 CO -0.15 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1wfj n GLY 21 N -0.99 3.62 0.00 -3.33 0.00 -1.24 -1.19 105.19 102.07 1wfj n GLY 21 Ca -0.07 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.07 0.99 7.99 -1.26 -4.84 117.00 119.81 1wfj n LEU 22 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1wfj n LEU 22 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1wfj n LEU 22 CO 0.00 0.00 0.22 1.05 -1.51 0.00 0.00 177.39 177.15 1wfj h GLU 23 N 0.00 0.00 -2.34 3.23 4.11 -2.01 -3.38 114.58 114.20 1wfj h GLU 23 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.71 1wfj h GLU 23 Cb 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.91 1wfj h GLU 23 CO 0.00 0.89 0.29 -0.25 0.07 0.00 0.00 179.01 180.01 1wfj n ASP 24 N -4.60 5.96 -3.74 3.06 8.00 -1.26 -4.95 116.55 119.02 1wfj n ASP 24 Ca -0.12 -3.64 -0.24 0.00 0.71 0.00 0.00 54.79 51.51 1wfj n ASP 24 Cb 0.46 -0.93 -0.17 0.00 -0.02 0.00 0.00 41.12 40.46 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfj s ALA 25 N -3.70 0.69 -0.23 2.24 0.00 -1.26 -5.02 121.76 114.49 1wfj s ALA 25 Ca 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 1wfj s ALA 25 Cb 0.20 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1wfj s ALA 25 CO -0.09 -0.64 2.82 -3.47 0.00 0.00 0.00 175.76 174.38 1wfj n ASP 26 N 5.15 5.93 -4.60 0.00 2.03 -1.26 -4.68 116.55 119.12 1wfj n ASP 26 Ca -0.07 -2.85 -0.41 0.00 0.52 0.00 0.00 54.79 51.99 1wfj n ASP 26 Cb 0.49 -1.25 -0.07 0.00 -0.72 0.00 0.00 41.12 39.58 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 -0.64 3.23 -0.70 -0.67 5.36 -1.26 -4.22 117.98 119.07 1wfj s PHE 27 Ca 0.49 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 57.00 1wfj s PHE 27 Cb 0.29 -2.90 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1wfj s PHE 27 CO -0.08 -0.41 0.62 1.28 -1.46 0.00 0.00 175.22 175.16 1wfj n LEU 28 N 5.76 -4.58 -3.93 6.12 4.77 -1.26 -4.51 117.00 119.37 1wfj n LEU 28 Ca -0.02 -0.45 -0.25 0.00 -0.03 0.00 0.00 56.01 55.26 1wfj n LEU 28 Cb 0.49 -2.39 -0.17 0.00 -2.33 0.00 0.00 43.42 39.03 1wfj n LEU 28 CO 0.44 -0.00 -0.44 0.21 -1.33 0.00 0.00 177.39 176.26 1wfj s ASN 29 N -3.22 1.84 -1.14 -1.43 3.84 -1.26 -1.69 114.94 111.89 1wfj s ASN 29 Ca 0.29 -0.26 -0.13 0.00 0.21 0.00 0.00 52.86 52.97 1wfj s ASN 29 Cb -0.04 -0.75 -0.03 0.00 -0.55 0.00 0.00 41.25 39.88 1wfj s ASN 29 CO 0.51 -0.07 0.82 -3.20 -2.79 0.00 0.00 177.10 172.37 1wfj n ASN 30 N 4.47 -5.03 -3.06 -4.21 2.85 -1.26 -4.97 115.26 104.04 1wfj n ASN 30 Ca -0.17 -0.89 -0.04 0.00 -0.11 0.00 0.00 54.58 53.37 1wfj n ASN 30 Cb 0.51 -4.07 0.02 0.00 1.24 0.00 0.00 39.78 37.48 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 1wfj n MET 31 N -3.90 0.74 -3.39 1.20 0.00 -1.26 -5.09 117.12 105.42 1wfj n MET 31 Ca -0.12 -1.59 -0.26 0.00 0.00 0.00 0.00 57.70 55.72 1wfj n MET 31 Cb 0.61 2.10 -0.08 0.00 0.00 0.00 0.00 33.22 35.86 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 -1.33 2.45 -4.79 3.17 9.92 -1.26 -3.95 116.55 120.76 1wfj n ASP 32 Ca -0.04 -3.16 -0.35 0.00 -0.53 0.00 0.00 54.79 50.72 1wfj n ASP 32 Cb 0.56 -0.66 -0.04 0.00 -0.64 0.00 0.00 41.12 40.34 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 -1.90 3.88 0.01 -0.24 0.04 -1.26 -0.69 135.00 134.83 1wfj s PRO 33 Ca 0.37 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 1wfj s PRO 33 Cb 0.14 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1wfj s PRO 33 CO -0.06 -0.37 -0.01 1.52 0.04 0.00 0.00 177.00 178.12 1wfj s TYR 34 N -1.91 0.13 0.11 0.56 1.13 0.44 -3.11 117.35 114.69 1wfj s TYR 34 Ca 0.65 -0.26 -0.13 0.00 -1.41 0.00 0.00 57.07 55.92 1wfj s TYR 34 Cb -0.18 -0.09 -0.06 0.00 -1.10 0.00 0.00 41.96 40.53 1wfj s TYR 34 CO 0.21 -0.10 0.49 0.08 -2.51 0.00 0.00 175.55 173.72 1wfj s VAL 35 N -0.76 4.94 -0.40 -3.49 1.01 -1.26 0.09 120.40 120.53 1wfj s VAL 35 Ca -0.08 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1wfj s VAL 35 Cb -0.05 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.73 1wfj s VAL 35 CO -0.00 0.29 0.14 -1.58 0.00 0.00 0.00 175.10 173.95 1wfj s GLN 36 N -1.85 1.47 0.16 2.72 0.74 -0.64 -1.73 119.66 120.53 1wfj s GLN 36 Ca 0.35 -1.98 -0.32 0.00 0.05 0.00 0.00 55.36 53.46 1wfj s GLN 36 Cb -0.15 -2.93 -0.10 0.00 1.10 0.00 0.00 33.01 30.93 1wfj s GLN 36 CO 0.18 -1.03 1.57 -0.51 -0.55 0.00 0.00 175.29 174.96 1wfj s LEU 37 N 0.60 4.37 -0.05 3.68 1.02 0.36 -3.56 118.68 125.10 1wfj s LEU 37 Ca 0.13 2.62 0.03 0.00 0.02 0.00 0.00 54.13 56.94 1wfj s LEU 37 Cb -0.21 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.40 1wfj s LEU 37 CO -0.07 -0.83 -0.15 -0.89 0.02 0.00 0.00 176.35 174.43 1wfj s THR 38 N 1.18 1.25 -0.35 5.49 2.01 -0.65 0.20 115.64 124.76 1wfj s THR 38 Ca 0.70 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1wfj s THR 38 Cb -0.44 -1.09 0.14 0.00 0.01 0.00 0.00 72.50 71.12 1wfj s THR 38 CO 0.31 0.37 0.22 0.00 -0.69 0.00 0.00 174.62 174.83 1wfj n ARG 40 N 3.97 0.00 -0.00 0.00 3.00 -1.26 0.19 116.66 122.56 1wfj n ARG 40 Ca 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.98 1wfj n ARG 40 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.85 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1wfj n THR 41 N 0.00 0.04 -3.46 0.55 -2.24 -1.26 -4.99 114.28 102.92 1wfj n THR 41 Ca 0.00 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 60.88 1wfj n THR 41 Cb 0.00 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.18 1wfj n THR 41 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wfj s GLN 42 N -0.22 4.18 -0.06 -0.78 -0.21 0.13 -5.07 119.66 117.64 1wfj s GLN 42 Ca 0.03 0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.54 1wfj s GLN 42 Cb 0.02 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.53 1wfj s GLN 42 CO 0.03 0.05 -0.12 0.16 -2.12 0.00 0.00 175.29 173.28 1wfj s ASP 43 N 0.90 1.74 -0.14 5.90 -4.77 -1.26 0.13 116.67 119.18 1wfj s ASP 43 Ca 0.17 -0.29 -0.06 0.00 -3.30 0.00 0.00 52.55 49.07 1wfj s ASP 43 Cb -0.14 -0.77 0.06 0.00 -1.09 0.00 0.00 42.92 40.98 1wfj s ASP 43 CO 0.06 0.04 0.30 -1.10 0.70 0.00 0.00 175.17 175.17 1wfj s GLN 44 N 0.60 0.22 0.33 2.11 -0.21 0.13 -4.99 119.66 117.86 1wfj s GLN 44 Ca -0.13 0.73 0.07 0.00 0.02 0.00 0.00 55.36 56.04 1wfj s GLN 44 Cb -0.15 -0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 1wfj s GLN 44 CO 0.03 -0.23 0.46 0.15 -2.12 0.00 0.00 175.29 173.59 1wfj s LYS 45 N 1.96 3.12 0.41 2.91 1.02 -1.26 0.13 119.74 128.03 1wfj s LYS 45 Ca -0.04 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.01 1wfj s LYS 45 Cb -0.11 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1wfj s LYS 45 CO -0.10 0.07 0.25 0.45 -0.92 0.00 0.00 175.35 175.10 1wfj s SER 46 N -4.16 4.67 0.97 2.83 0.15 -0.71 -4.92 113.70 112.52 1wfj s SER 46 Ca 0.45 -0.93 -0.14 0.00 0.70 0.00 0.00 55.95 56.02 1wfj s SER 46 Cb -0.09 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.66 1wfj s SER 46 CO 0.31 -0.56 0.01 -0.46 1.20 0.00 0.00 173.24 173.74 1wfj n ASN 47 N -1.34 -3.31 -4.63 5.45 6.94 -1.26 -4.69 115.26 112.42 1wfj n ASN 47 Ca 0.00 0.27 -0.41 0.00 -0.02 0.00 0.00 54.58 54.43 1wfj n ASN 47 Cb 0.63 -1.06 -0.06 0.00 -2.36 0.00 0.00 39.78 36.93 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wfj s VAL 48 N -2.27 4.96 -1.01 3.53 1.01 -1.26 -4.73 120.40 120.62 1wfj s VAL 48 Ca 0.51 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 1wfj s VAL 48 Cb -0.20 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1wfj s VAL 48 CO 0.72 0.02 1.97 0.00 0.00 0.00 0.00 175.10 177.81 1wfj s ALA 49 N 2.49 1.63 -0.36 5.51 0.00 -1.18 -4.90 121.76 124.94 1wfj s ALA 49 Ca 0.28 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 1wfj s ALA 49 Cb -0.15 -4.61 0.01 0.00 0.00 0.00 0.00 23.12 18.36 1wfj s ALA 49 CO 0.08 -5.11 1.37 -1.21 0.00 0.00 0.00 175.76 170.90 1wfj s GLU 50 N 6.94 3.72 -0.87 0.00 2.02 -1.26 -4.01 118.70 125.24 1wfj s GLU 50 Ca 0.71 1.08 -0.04 0.00 0.02 0.00 0.00 54.97 56.74 1wfj s GLU 50 Cb -0.05 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.22 1wfj s GLU 50 CO 0.06 -1.38 0.62 0.41 0.02 0.00 0.00 175.26 174.99 1wfj n GLY 51 N 4.76 -1.26 0.06 -1.39 0.00 -1.25 -4.90 105.19 101.21 1wfj n GLY 51 Ca 0.16 0.57 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.83 1.68 0.00 1.61 1.56 -1.26 -5.12 117.12 112.76 1wfj n MET 52 Ca -0.27 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.17 1wfj n MET 52 Cb 0.66 -1.32 0.00 0.00 2.15 0.00 0.00 33.22 34.72 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 2.34 -0.36 0.17 -5.12 0.00 -1.26 -4.43 105.19 96.53 1wfj n GLY 53 Ca -0.22 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 43.92 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 0.02 -3.22 2.61 -2.24 -0.68 -4.05 114.28 106.72 1wfj n THR 54 Ca 0.00 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 1wfj n THR 54 Cb 0.00 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.56 0.21 -2.45 4.28 -2.24 -1.24 -3.65 114.28 108.63 1wfj n THR 55 Ca 0.20 -4.44 -0.42 0.00 -2.27 0.00 0.00 64.05 57.12 1wfj n THR 55 Cb 0.18 -1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 66.70 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 -1.77 4.38 -0.13 -0.78 0.04 -1.25 -4.79 135.00 130.71 1wfj s PRO 56 Ca 0.38 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 1wfj s PRO 56 Cb 0.20 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1wfj s PRO 56 CO -0.09 -0.38 0.10 -1.21 0.04 0.00 0.00 177.00 175.47 1wfj s GLU 57 N 1.82 3.53 -0.07 4.56 2.02 -1.26 -3.17 118.70 126.13 1wfj s GLU 57 Ca 0.57 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.34 1wfj s GLU 57 Cb -0.26 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1wfj s GLU 57 CO 0.25 0.63 -0.06 0.91 0.02 0.00 0.00 175.26 177.01 1wfj n TRP 58 N 2.44 0.00 -2.82 1.61 8.01 0.99 -4.93 117.44 122.74 1wfj n TRP 58 Ca -0.19 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.86 1wfj n TRP 58 Cb 0.54 -0.26 -0.01 0.00 -2.01 0.00 0.00 31.31 29.58 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 -2.69 -3.19 -4.40 -0.99 3.02 0.13 -4.91 115.26 102.24 1wfj n ASN 59 Ca -0.12 0.02 -0.26 0.00 -0.03 0.00 0.00 54.58 54.20 1wfj n ASN 59 Cb 0.63 -2.72 0.15 0.00 -0.61 0.00 0.00 39.78 37.23 1wfj n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wfj s GLU 60 N -5.41 1.11 -0.14 3.52 0.41 -1.04 -4.91 118.70 112.25 1wfj s GLU 60 Ca 0.15 -0.97 -0.05 0.00 -0.41 0.00 0.00 54.97 53.70 1wfj s GLU 60 Cb -0.08 -2.14 0.07 0.00 -1.78 0.00 0.00 34.13 30.19 1wfj s GLU 60 CO 0.19 -1.93 0.28 0.99 -0.49 0.00 0.00 175.26 174.30 1wfj s THR 61 N -3.46 -0.44 0.14 3.63 2.01 -1.26 -2.70 115.64 113.55 1wfj s THR 61 Ca 0.71 0.27 0.09 0.00 0.31 0.00 0.00 61.69 63.07 1wfj s THR 61 Cb -0.04 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1wfj s THR 61 CO 0.48 0.11 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.01 1wfj s PHE 62 N 2.44 2.56 0.01 4.92 0.40 0.43 -4.95 117.98 123.79 1wfj s PHE 62 Ca 0.01 -0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.15 1wfj s PHE 62 Cb -0.12 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 1wfj s PHE 62 CO -0.09 0.43 -0.20 0.42 0.70 0.00 0.00 175.22 176.48 1wfj s ILE 63 N -1.34 1.62 -0.08 0.64 -1.09 -1.26 0.07 121.20 119.76 1wfj s ILE 63 Ca 0.20 -1.03 -0.04 0.00 -2.23 0.00 0.00 60.65 57.56 1wfj s ILE 63 Cb -0.10 -1.38 0.04 0.00 -1.58 0.00 0.00 42.46 39.44 1wfj s ILE 63 CO 0.12 0.32 0.17 -0.36 -1.23 0.00 0.00 174.94 173.96 1wfj s PHE 64 N -0.64 -0.21 0.13 3.97 0.08 -0.77 -4.96 117.98 115.58 1wfj s PHE 64 Ca 0.07 0.56 -0.31 0.00 0.12 0.00 0.00 56.93 57.37 1wfj s PHE 64 Cb -0.08 -0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.23 1wfj s PHE 64 CO 0.01 -0.18 1.50 0.99 -0.10 0.00 0.00 175.22 177.43 1wfj s THR 65 N 1.15 2.95 0.10 0.64 2.01 -1.26 -0.81 115.64 120.41 1wfj s THR 65 Ca -0.09 0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.63 1wfj s THR 65 Cb -0.11 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1wfj s THR 65 CO -0.06 0.05 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.17 1wfj s VAL 66 N 1.27 3.70 0.00 3.82 1.01 -0.11 -4.91 120.40 125.17 1wfj s VAL 66 Ca 0.68 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1wfj s VAL 66 Cb -0.40 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1wfj s VAL 66 CO 0.31 0.12 0.00 -1.54 0.00 0.00 0.00 175.10 173.99 1wfj n SER 67 N 0.65 0.00 -4.20 3.32 3.41 -1.26 -3.07 113.62 112.46 1wfj n SER 67 Ca -0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.26 1wfj n SER 67 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 1wfj n SER 67 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1wfj s GLU 68 N -0.00 1.14 0.00 4.33 -1.05 -1.26 -4.81 118.70 117.05 1wfj s GLU 68 Ca 0.00 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 1wfj s GLU 68 Cb 0.00 -1.22 0.00 0.00 -0.44 0.00 0.00 34.13 32.47 1wfj s GLU 68 CO 0.00 0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.92 1wfj n GLY 69 N 1.79 1.47 3.55 -3.83 0.00 -1.26 -4.88 105.19 102.03 1wfj n GLY 69 Ca -0.18 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1wfj n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfj n THR 70 N 0.00 -0.05 -0.89 2.61 -1.04 -1.26 -4.58 114.28 109.07 1wfj n THR 70 Ca 0.00 -0.64 0.01 0.00 -2.04 0.00 0.00 64.05 61.38 1wfj n THR 70 Cb 0.00 -2.27 0.01 0.00 -1.82 0.00 0.00 70.33 66.26 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 8.08 0.47 -3.64 12.58 -2.24 -1.26 -4.63 114.28 123.63 1wfj n THR 71 Ca 0.44 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1wfj n THR 71 Cb 0.45 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.56 0.08 0.00 -0.78 -1.05 -1.26 -2.80 118.70 112.33 1wfj s GLU 72 Ca 0.03 0.06 -0.02 0.00 -0.15 0.00 0.00 54.97 54.89 1wfj s GLU 72 Cb 0.03 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 1wfj s GLU 72 CO 0.00 -0.02 0.16 -1.17 0.95 0.00 0.00 175.26 175.18 1wfj s LEU 73 N -0.45 4.23 -0.28 1.83 2.96 0.73 -4.83 118.68 122.87 1wfj s LEU 73 Ca 0.08 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1wfj s LEU 73 Cb -0.03 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 1wfj s LEU 73 CO -0.12 0.25 0.07 -0.54 -1.32 0.00 0.00 176.35 174.69 1wfj s LYS 74 N -1.95 3.23 -0.43 1.98 3.01 -0.79 -0.46 119.74 124.33 1wfj s LYS 74 Ca 0.27 -0.76 -0.10 0.00 -1.01 0.00 0.00 55.97 54.37 1wfj s LYS 74 Cb -0.12 -3.33 0.08 0.00 -1.01 0.00 0.00 37.83 33.45 1wfj s LYS 74 CO 0.18 -0.37 0.28 0.00 0.51 0.00 0.00 175.35 175.95 1wfj s ALA 75 N 1.52 3.32 -0.27 5.17 0.00 0.10 -1.64 121.76 129.96 1wfj s ALA 75 Ca 0.04 -2.17 -0.06 0.00 0.00 0.00 0.00 51.96 49.77 1wfj s ALA 75 Cb -0.16 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1wfj s ALA 75 CO 0.02 -1.67 0.04 0.15 0.00 0.00 0.00 175.76 174.30 1wfj s LYS 76 N 1.44 3.20 -0.02 0.00 1.02 -1.23 0.16 119.74 124.30 1wfj s LYS 76 Ca 0.03 -0.77 -0.26 0.00 0.02 0.00 0.00 55.97 54.99 1wfj s LYS 76 Cb -0.23 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1wfj s LYS 76 CO 0.02 -0.36 0.81 0.42 -0.92 0.00 0.00 175.35 175.33 1wfj s ILE 77 N 1.49 4.93 0.14 2.17 1.09 0.52 -1.63 121.20 129.92 1wfj s ILE 77 Ca 0.03 1.70 0.01 0.00 -1.10 0.00 0.00 60.65 61.30 1wfj s ILE 77 Cb -0.16 -4.16 -0.00 0.00 -1.06 0.00 0.00 42.46 37.08 1wfj s ILE 77 CO 0.01 0.24 0.04 0.49 -0.10 0.00 0.00 174.94 175.61 1wfj n PHE 78 N 3.67 0.12 -4.67 3.97 3.72 0.11 0.46 117.46 124.85 1wfj n PHE 78 Ca 0.01 -0.85 -0.28 0.00 -0.05 0.00 0.00 57.45 56.29 1wfj n PHE 78 Cb 0.51 -0.03 -0.17 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.84 2.32 0.47 4.37 2.15 -1.26 -0.42 116.67 122.45 1wfj s ASP 79 Ca 0.05 -0.40 0.41 0.00 0.43 0.00 0.00 52.55 53.03 1wfj s ASP 79 Cb 0.00 -1.05 1.49 0.00 -0.30 0.00 0.00 42.92 43.06 1wfj s ASP 79 CO 0.04 0.05 1.40 2.29 -0.17 0.00 0.00 175.17 178.78 1wfj n LYS 80 N 3.90 -0.01 0.31 4.34 2.85 0.13 0.21 118.16 129.89 1wfj n LYS 80 Ca -0.20 1.02 -0.16 0.00 -1.05 0.00 0.00 58.31 57.91 1wfj n LYS 80 Cb 0.52 -2.24 -0.08 0.00 -0.65 0.00 0.00 35.03 32.57 1wfj n LYS 80 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1wfj h ASP 81 N 0.00 -0.64 -1.13 -5.58 3.32 -1.94 -3.44 116.42 107.00 1wfj h ASP 81 Ca 0.83 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.86 1wfj h ASP 81 Cb 3.15 0.17 0.00 0.00 0.22 0.00 0.00 39.33 42.86 1wfj h ASP 81 CO -0.13 -0.39 0.00 0.55 -1.72 0.00 0.00 179.24 177.54 1wfj n VAL 82 N -5.38 0.00 -2.69 -1.35 3.14 0.56 -5.03 118.33 107.58 1wfj n VAL 82 Ca -0.12 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.19 1wfj n VAL 82 Cb 0.33 -0.70 0.08 0.00 -1.06 0.00 0.00 33.84 32.49 1wfj n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wfj n GLY 83 N 1.76 1.46 5.00 7.55 0.00 -1.26 -4.82 105.19 114.88 1wfj n GLY 83 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1wfj n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfj n THR 84 N -0.46 0.00 -2.17 2.61 -2.24 -1.26 -4.64 114.28 106.12 1wfj n THR 84 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 1wfj n THR 84 Cb 0.84 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.00 2.78 0.00 -0.78 1.02 -1.26 -3.85 120.64 118.56 1wfj n GLU 85 Ca 0.00 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 1wfj n GLU 85 Cb 0.00 -3.43 0.00 0.00 -0.02 0.00 0.00 31.44 27.99 1wfj n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wfj n ASP 86 N 8.40 0.00 -3.64 1.62 8.00 -1.26 -5.13 116.55 124.54 1wfj n ASP 86 Ca 0.49 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.94 1wfj n ASP 86 Cb 0.44 0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1wfj n ASP 86 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wfj s ASP 87 N 0.05 -0.41 -0.25 -2.24 1.11 -1.25 -5.13 116.67 108.56 1wfj s ASP 87 Ca 0.00 0.73 -0.09 0.00 0.18 0.00 0.00 52.55 53.38 1wfj s ASP 87 Cb 0.00 0.89 -0.04 0.00 1.07 0.00 0.00 42.92 44.84 1wfj s ASP 87 CO 0.00 -0.12 0.11 0.00 1.18 0.00 0.00 175.17 176.34 1wfj s ALA 88 N 0.58 3.35 0.56 5.23 0.00 -1.26 -4.67 121.76 125.56 1wfj s ALA 88 Ca -0.01 -1.03 0.48 0.00 0.00 0.00 0.00 51.96 51.40 1wfj s ALA 88 Cb -0.04 -2.19 1.65 0.00 0.00 0.00 0.00 23.12 22.54 1wfj s ALA 88 CO -0.10 -0.36 1.56 -0.39 0.00 0.00 0.00 175.76 176.46 1wfj h VAL 89 N 5.33 0.03 -1.84 0.00 -1.51 -0.28 -3.43 116.25 114.55 1wfj h VAL 89 Ca -0.37 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.46 1wfj h VAL 89 Cb 1.18 0.03 -0.09 0.00 -2.13 0.00 0.00 31.29 30.28 1wfj h VAL 89 CO 0.60 0.00 0.92 -0.83 -1.23 0.00 0.00 177.57 177.02 1wfj s GLY 90 N -3.82 -0.24 0.21 5.19 0.00 -1.00 -4.79 107.32 102.86 1wfj s GLY 90 Ca -0.05 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1wfj s GLY 90 CO 0.85 4.03 0.40 -1.83 0.00 0.00 0.00 173.10 176.55 1wfj s GLU 91 N -2.10 1.38 0.04 2.90 4.04 0.93 0.20 118.70 126.09 1wfj s GLU 91 Ca 0.25 -1.20 -0.20 0.00 0.04 0.00 0.00 54.97 53.86 1wfj s GLU 91 Cb 0.02 0.43 0.04 0.00 0.02 0.00 0.00 34.13 34.64 1wfj s GLU 91 CO -0.02 -0.55 0.45 0.00 -1.84 0.00 0.00 175.26 173.29 1wfj s ALA 92 N -3.99 -1.11 -0.28 -0.84 0.00 0.43 -1.00 121.76 114.97 1wfj s ALA 92 Ca 0.20 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1wfj s ALA 92 Cb 0.01 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1wfj s ALA 92 CO 0.05 -0.46 0.03 0.99 0.00 0.00 0.00 175.76 176.37 1wfj s THR 93 N -2.36 3.52 -0.49 0.00 2.01 -1.26 -0.72 115.64 116.33 1wfj s THR 93 Ca -0.06 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1wfj s THR 93 Cb -0.01 -2.82 0.13 0.00 0.01 0.00 0.00 72.50 69.80 1wfj s THR 93 CO -0.01 0.10 0.31 -0.63 -0.69 0.00 0.00 174.62 173.70 1wfj s ILE 94 N 1.42 3.65 0.50 1.82 1.01 0.39 -4.90 121.20 125.09 1wfj s ILE 94 Ca 0.01 -2.24 -0.20 0.00 0.00 0.00 0.00 60.65 58.23 1wfj s ILE 94 Cb -0.17 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1wfj s ILE 94 CO -0.00 -0.77 1.04 -2.16 0.00 0.00 0.00 174.94 173.05 1wfj s PRO 95 N 0.86 3.75 0.00 2.79 0.04 -1.26 0.26 135.00 141.44 1wfj s PRO 95 Ca 0.10 1.33 0.16 0.00 0.04 0.00 0.00 61.00 62.63 1wfj s PRO 95 Cb -0.23 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.26 1wfj s PRO 95 CO -0.03 -0.47 0.89 1.28 0.04 0.00 0.00 177.00 178.70 1wfj n LEU 96 N -1.12 1.81 -0.29 -3.56 7.99 -1.12 -4.48 117.00 116.23 1wfj n LEU 96 Ca 0.09 -0.83 0.07 0.00 -0.01 0.00 0.00 56.01 55.33 1wfj n LEU 96 Cb 0.53 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 44.06 1wfj n LEU 96 CO 0.41 0.34 1.08 -0.08 -1.51 0.00 0.00 177.39 177.62 1wfj h GLU 97 N 2.15 0.54 0.00 3.23 4.81 -1.93 1.22 114.58 124.60 1wfj h GLU 97 Ca 0.00 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 1wfj h GLU 97 Cb 0.57 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1wfj h GLU 97 CO 0.00 0.36 -0.72 -1.00 -0.73 0.00 0.00 179.01 176.92 1wfj h PRO 98 N 0.56 0.00 -0.00 0.92 0.13 -1.95 -2.24 132.00 129.42 1wfj h PRO 98 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1wfj h PRO 98 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1wfj h PRO 98 CO -0.39 0.72 -0.13 1.55 -0.23 0.00 0.00 178.00 179.53 1wfj n VAL 99 N -3.62 0.00 -0.08 1.56 3.14 0.40 -1.22 118.33 118.50 1wfj n VAL 99 Ca -0.01 -0.07 -0.10 0.00 -2.96 0.00 0.00 64.34 61.21 1wfj n VAL 99 Cb 0.72 -0.04 -0.16 0.00 -1.06 0.00 0.00 33.84 33.30 1wfj n VAL 99 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1wfj n PHE 100 N -0.93 0.21 -0.05 1.45 3.72 0.39 -2.71 117.46 119.55 1wfj n PHE 100 Ca 0.14 0.08 -0.14 0.00 -0.05 0.00 0.00 57.45 57.47 1wfj n PHE 100 Cb 0.29 -1.04 -0.14 0.00 -0.94 0.00 0.00 39.48 37.65 1wfj n PHE 100 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1wfj n VAL 101 N -2.82 1.60 -0.06 -4.37 0.24 -0.87 -4.44 118.33 107.61 1wfj n VAL 101 Ca -0.30 -0.73 -0.16 0.00 -2.04 0.00 0.00 64.34 61.12 1wfj n VAL 101 Cb 1.14 -1.21 -0.13 0.00 -1.47 0.00 0.00 33.84 32.16 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 0.02 0.03 0.00 7.34 4.39 -1.38 -3.48 114.58 121.50 1wfj h GLU 102 Ca -0.43 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1wfj h GLU 102 Cb 2.05 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1wfj h GLU 102 CO 0.05 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 179.33 1wfj n GLY 103 N 1.59 0.36 3.32 -3.84 0.00 -1.10 -5.01 105.19 100.51 1wfj n GLY 103 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.18 -0.18 -0.04 1.61 1.04 -1.26 -3.17 113.70 109.52 1wfj s SER 104 Ca 0.00 0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1wfj s SER 104 Cb 0.00 1.18 -0.02 0.00 0.10 0.00 0.00 66.02 67.27 1wfj s SER 104 CO 0.00 -0.04 -0.18 -0.63 0.98 0.00 0.00 173.24 173.37 1wfj s ILE 105 N 1.92 2.71 0.87 -1.02 -1.09 0.36 -4.94 121.20 120.00 1wfj s ILE 105 Ca -0.02 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1wfj s ILE 105 Cb -0.02 -2.03 0.11 0.00 -1.58 0.00 0.00 42.46 38.95 1wfj s ILE 105 CO -0.15 0.58 1.12 -2.16 -1.23 0.00 0.00 174.94 173.10 1wfj s PRO 106 N -0.71 1.49 -0.52 2.79 0.04 -1.26 -2.23 135.00 134.59 1wfj s PRO 106 Ca 0.11 0.42 -0.28 0.00 0.04 0.00 0.00 61.00 61.29 1wfj s PRO 106 Cb -0.10 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1wfj s PRO 106 CO 0.00 -1.98 1.48 -1.25 0.04 0.00 0.00 177.00 175.29 1wfj s PRO 107 N -5.23 3.29 0.10 0.56 0.04 -1.26 -4.41 135.00 128.09 1wfj s PRO 107 Ca 0.63 0.61 0.09 0.00 0.04 0.00 0.00 61.00 62.37 1wfj s PRO 107 Cb -0.15 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1wfj s PRO 107 CO 0.54 -1.94 -0.22 0.99 0.04 0.00 0.00 177.00 176.41 1wfj s THR 108 N 6.28 2.58 -0.55 1.26 2.01 -0.63 -4.74 115.64 121.85 1wfj s THR 108 Ca 0.57 -1.50 -0.28 0.00 0.31 0.00 0.00 61.69 60.79 1wfj s THR 108 Cb -0.12 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.26 1wfj s THR 108 CO 0.26 0.17 1.43 0.00 -0.69 0.00 0.00 174.62 175.80 1wfj s ALA 109 N -1.04 2.81 0.18 7.40 0.00 -1.26 -1.96 121.76 127.89 1wfj s ALA 109 Ca 0.15 -0.62 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 1wfj s ALA 109 Cb -0.10 -4.10 -0.08 0.00 0.00 0.00 0.00 23.12 18.84 1wfj s ALA 109 CO 0.07 -2.92 0.81 0.71 0.00 0.00 0.00 175.76 174.43 1wfj s TYR 110 N 6.11 3.92 0.18 0.00 2.02 0.52 -4.61 117.35 125.48 1wfj s TYR 110 Ca 0.54 1.69 -0.33 0.00 -0.37 0.00 0.00 57.07 58.59 1wfj s TYR 110 Cb -0.11 -2.81 -0.14 0.00 -0.40 0.00 0.00 41.96 38.50 1wfj s TYR 110 CO 0.25 0.50 1.49 0.09 -1.57 0.00 0.00 175.55 176.31 1wfj n ASN 111 N 1.54 2.77 -4.10 2.29 4.13 -1.26 0.95 115.26 121.59 1wfj n ASN 111 Ca -0.05 1.11 -0.33 0.00 1.68 0.00 0.00 54.58 56.99 1wfj n ASN 111 Cb 0.48 -1.39 -0.15 0.00 -1.54 0.00 0.00 39.78 37.18 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 0.53 2.27 0.40 2.41 1.01 0.18 -4.28 120.40 122.92 1wfj s VAL 112 Ca 0.76 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1wfj s VAL 112 Cb -0.71 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1wfj s VAL 112 CO 0.43 0.10 0.16 0.68 0.00 0.00 0.00 175.10 176.47 1wfj s VAL 113 N 1.17 2.36 -0.36 2.92 -7.23 -0.17 0.17 120.40 119.27 1wfj s VAL 113 Ca -0.05 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1wfj s VAL 113 Cb -0.18 -2.98 0.15 0.00 0.56 0.00 0.00 36.38 33.92 1wfj s VAL 113 CO -0.06 -0.03 0.28 -0.75 -0.31 0.00 0.00 175.10 174.23 1wfj s LYS 114 N -3.88 0.61 0.00 4.82 2.47 0.41 -0.05 119.74 124.13 1wfj s LYS 114 Ca 0.40 -1.21 0.00 0.00 -1.56 0.00 0.00 55.97 53.60 1wfj s LYS 114 Cb 0.03 -1.08 0.00 0.00 -1.46 0.00 0.00 37.83 35.32 1wfj s LYS 114 CO 0.22 -1.22 0.00 -3.47 0.16 0.00 0.00 175.35 171.04 1wfj n ASP 115 N 4.03 0.00 0.00 1.43 2.03 -1.26 -3.26 116.55 119.52 1wfj n ASP 115 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1wfj n ASP 115 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.48 0.00 -3.22 -0.67 0.28 -1.26 -5.14 120.64 109.15 1wfj n GLU 116 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1wfj n GLU 116 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 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 4.27 -0.41 3.44 2.02 -1.20 -4.99 118.70 121.83 1wfj s GLU 117 Ca 0.00 0.77 -0.29 0.00 0.02 0.00 0.00 54.97 55.47 1wfj s GLU 117 Cb 0.00 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.97 1wfj s GLU 117 CO 0.00 0.53 1.26 -0.47 0.02 0.00 0.00 175.26 176.61 1wfj s TYR 118 N -0.76 2.67 0.06 1.61 5.04 -1.26 0.16 117.35 124.86 1wfj s TYR 118 Ca 0.30 0.77 -0.08 0.00 -2.44 0.00 0.00 57.07 55.63 1wfj s TYR 118 Cb -0.19 -4.22 -0.31 0.00 0.35 0.00 0.00 41.96 37.59 1wfj s TYR 118 CO 0.19 -1.57 1.09 0.87 -1.34 0.00 0.00 175.55 174.79 1wfj h LYS 119 N 9.68 0.35 0.00 4.97 1.79 0.15 -3.48 116.57 130.03 1wfj h LYS 119 Ca -0.25 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 57.61 1wfj h LYS 119 Cb 1.08 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1wfj h LYS 119 CO 1.09 1.29 0.00 0.41 -1.08 0.00 0.00 179.45 181.15 1wfj n GLY 120 N 1.59 -0.70 3.05 3.86 0.00 -0.53 -4.15 105.19 108.31 1wfj n GLY 120 Ca -0.11 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.27 0.53 -0.18 1.61 -1.05 -0.34 0.50 118.70 118.51 1wfj s GLU 121 Ca 0.00 -0.69 0.01 0.00 -0.15 0.00 0.00 54.97 54.14 1wfj s GLU 121 Cb 0.00 -0.34 0.02 0.00 -0.44 0.00 0.00 34.13 33.37 1wfj s GLU 121 CO 0.00 0.07 -0.19 -1.50 0.95 0.00 0.00 175.26 174.59 1wfj s ILE 122 N -1.20 1.98 -0.14 1.83 2.07 0.27 -1.84 121.20 124.18 1wfj s ILE 122 Ca -0.08 -0.89 -0.27 0.00 -1.41 0.00 0.00 60.65 58.00 1wfj s ILE 122 Cb -0.09 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.69 1wfj s ILE 122 CO 0.00 0.53 0.92 0.26 -1.91 0.00 0.00 174.94 174.74 1wfj s TRP 123 N 1.32 3.46 -0.03 3.50 0.52 0.20 0.19 118.94 128.12 1wfj s TRP 123 Ca 0.05 1.42 -0.19 0.00 0.02 0.00 0.00 56.10 57.40 1wfj s TRP 123 Cb -0.13 -3.10 0.04 0.00 -1.15 0.00 0.00 33.47 29.13 1wfj s TRP 123 CO -0.13 -0.23 0.41 0.08 0.02 0.00 0.00 176.95 177.10 1wfj s VAL 124 N 2.09 0.04 0.03 4.03 1.01 -0.83 -2.40 120.40 124.37 1wfj s VAL 124 Ca 0.43 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1wfj s VAL 124 Cb -0.17 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1wfj s VAL 124 CO 0.15 -0.19 -0.25 0.00 0.00 0.00 0.00 175.10 174.81 1wfj s ALA 125 N -1.25 2.30 -0.08 5.51 0.00 -0.27 -1.61 121.76 126.36 1wfj s ALA 125 Ca -0.13 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1wfj s ALA 125 Cb -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1wfj s ALA 125 CO 0.06 0.54 -0.19 -0.51 0.00 0.00 0.00 175.76 175.66 1wfj s LEU 126 N -1.13 2.41 -0.23 0.00 1.43 -0.95 -0.64 118.68 119.57 1wfj s LEU 126 Ca 0.12 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1wfj s LEU 126 Cb -0.10 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.71 1wfj s LEU 126 CO 0.02 0.24 0.09 -0.55 0.23 0.00 0.00 176.35 176.38 1wfj s SER 127 N -0.10 3.03 0.13 2.29 0.15 0.14 0.14 113.70 119.48 1wfj s SER 127 Ca -0.04 -0.99 -0.19 0.00 0.70 0.00 0.00 55.95 55.43 1wfj s SER 127 Cb -0.14 -0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 63.69 1wfj s SER 127 CO 0.04 -0.38 0.63 0.12 1.20 0.00 0.00 173.24 174.85 1wfj s PHE 128 N 2.02 3.75 -0.40 3.44 5.36 -1.19 0.21 117.98 131.17 1wfj s PHE 128 Ca 0.05 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 1wfj s PHE 128 Cb -0.16 -2.54 0.12 0.00 -0.34 0.00 0.00 43.02 40.10 1wfj s PHE 128 CO -0.20 0.49 0.18 0.15 -1.46 0.00 0.00 175.22 174.38 1wfj s LYS 129 N -1.48 1.17 0.18 10.12 1.02 0.38 -4.70 119.74 126.44 1wfj s LYS 129 Ca 0.35 -1.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1wfj s LYS 129 Cb -0.19 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 34.69 1wfj s LYS 129 CO 0.21 -1.09 1.12 -1.25 -0.92 0.00 0.00 175.35 173.42 1wfj s PRO 130 N 0.75 4.57 -0.84 -1.68 0.04 -1.26 0.81 135.00 137.40 1wfj s PRO 130 Ca 0.15 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1wfj s PRO 130 Cb -0.22 -3.27 -0.16 0.00 0.04 0.00 0.00 34.50 30.89 1wfj s PRO 130 CO -0.08 0.05 2.36 -1.13 0.04 0.00 0.00 177.00 178.24 1wfj n SER 131 N 2.37 1.62 -0.15 6.66 3.41 -1.07 -4.84 113.62 121.62 1wfj n SER 131 Ca 0.03 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1wfj n SER 131 Cb 0.46 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 1wfj n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfj n GLY 132 N 6.67 1.85 3.55 5.00 0.00 -1.26 -4.98 105.19 116.01 1wfj n GLY 132 Ca 0.47 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 3.88 2.92 0.06 1.61 0.04 -1.26 -4.96 135.00 137.28 1wfj s PRO 133 Ca 0.00 0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.24 1wfj s PRO 133 Cb 0.00 -4.29 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1wfj s PRO 133 CO 0.00 -2.44 -0.10 -1.54 0.04 0.00 0.00 177.00 172.96 1wfj s SER 134 N 5.87 1.20 -0.47 6.66 1.04 -1.26 -5.10 113.70 121.64 1wfj s SER 134 Ca 0.51 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 56.05 1wfj s SER 134 Cb -0.10 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1wfj s SER 134 CO 0.17 -0.16 1.27 -0.44 0.98 0.00 0.00 173.24 175.06 1wfj s SER 135 N -1.71 6.47 0.00 7.02 0.01 -1.26 -5.25 113.70 118.97 1wfj s SER 135 Ca -0.06 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1wfj s SER 135 Cb -0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1wfj s SER 135 CO 0.01 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.89