#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 -0.37 0.41 1.61 1.04 -1.26 -5.17 113.70 109.96 1wfj s SER 2 Ca 0.00 0.69 0.08 0.00 0.48 0.00 0.00 55.95 57.20 1wfj s SER 2 Cb 0.00 0.63 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 1wfj s SER 2 CO 0.00 -0.15 0.49 -0.44 0.98 0.00 0.00 173.24 174.12 1wfj s SER 3 N 0.80 5.43 0.00 7.02 0.01 -1.26 -4.94 113.70 120.76 1wfj s SER 3 Ca -0.05 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wfj s SER 3 Cb -0.06 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1wfj s SER 3 CO -0.06 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1wfj n GLY 4 N -1.72 -0.79 3.11 3.44 0.00 -1.26 -5.14 105.19 102.83 1wfj n GLY 4 Ca 0.06 0.39 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 1wfj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfj n SER 5 N 0.00 -4.94 -4.97 1.61 3.41 -1.26 -4.95 113.62 102.52 1wfj n SER 5 Ca 0.00 0.36 -0.21 0.00 -0.26 0.00 0.00 58.87 58.76 1wfj n SER 5 Cb 0.00 -0.82 -0.02 0.00 -0.26 0.00 0.00 64.21 63.11 1wfj n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfj s SER 6 N -1.05 6.29 0.42 4.04 0.15 -1.26 -5.07 113.70 117.22 1wfj s SER 6 Ca 0.47 0.13 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1wfj s SER 6 Cb -0.30 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1wfj s SER 6 CO 0.76 -0.14 0.10 -0.83 1.20 0.00 0.00 173.24 174.33 1wfj s GLY 7 N -4.00 2.62 0.00 9.45 0.00 -1.26 -5.14 107.32 108.98 1wfj s GLY 7 Ca 0.36 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1wfj s GLY 7 CO 0.30 -1.89 0.00 -1.55 0.00 0.00 0.00 173.10 169.97 1wfj n PRO 8 N -0.94 0.10 -3.50 2.90 -0.04 -1.26 -4.86 135.00 127.40 1wfj n PRO 8 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wfj n PRO 8 Cb 0.65 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.06 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 -0.60 -0.50 -2.72 0.54 -3.43 -1.26 -3.75 115.29 103.58 1wfj s HIS 9 Ca 0.00 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.18 1wfj s HIS 9 Cb 0.00 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 1wfj s HIS 9 CO 0.00 -0.25 0.00 0.41 -2.00 0.00 0.00 174.74 172.90 1wfj n GLY 10 N 4.20 -0.61 3.88 -1.38 0.00 -1.14 -3.69 105.19 106.44 1wfj n GLY 10 Ca -0.13 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.00 5.17 0.09 2.61 2.01 -0.14 -0.27 115.64 121.11 1wfj s THR 11 Ca 0.00 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1wfj s THR 11 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1wfj s THR 11 CO 0.00 0.18 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.67 1wfj s LEU 12 N -2.34 2.26 0.08 4.42 2.96 0.17 0.56 118.68 126.79 1wfj s LEU 12 Ca 0.32 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1wfj s LEU 12 Cb -0.13 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1wfj s LEU 12 CO 0.24 0.11 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.53 1wfj s GLU 13 N -1.71 2.00 -0.29 1.98 2.12 0.18 -0.37 118.70 122.62 1wfj s GLU 13 Ca 0.08 -1.05 -0.03 0.00 0.36 0.00 0.00 54.97 54.33 1wfj s GLU 13 Cb -0.10 -2.20 0.11 0.00 0.26 0.00 0.00 34.13 32.20 1wfj s GLU 13 CO 0.04 0.52 0.17 0.08 -0.54 0.00 0.00 175.26 175.53 1wfj s VAL 14 N -1.06 -0.16 -0.50 3.70 1.01 0.12 -2.58 120.40 120.93 1wfj s VAL 14 Ca 0.17 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1wfj s VAL 14 Cb -0.11 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.36 1wfj s VAL 14 CO 0.09 -0.65 0.60 -0.69 0.00 0.00 0.00 175.10 174.45 1wfj s VAL 15 N 2.17 4.91 -0.93 2.92 1.01 0.98 -0.32 120.40 131.13 1wfj s VAL 15 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1wfj s VAL 15 Cb -0.15 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.03 1wfj s VAL 15 CO -0.36 -0.78 1.26 -0.22 0.00 0.00 0.00 175.10 175.00 1wfj s LEU 16 N 2.54 4.24 0.00 3.92 2.96 -0.82 -0.29 118.68 131.24 1wfj s LEU 16 Ca 0.14 -1.62 0.00 0.00 -0.22 0.00 0.00 54.13 52.44 1wfj s LEU 16 Cb -0.19 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1wfj s LEU 16 CO 0.12 -1.33 0.08 0.52 -1.32 0.00 0.00 176.35 174.42 1wfj n VAL 17 N 6.17 0.00 -3.58 1.68 0.31 -0.92 -0.18 118.33 121.81 1wfj n VAL 17 Ca 0.24 0.39 -0.05 0.00 -0.01 0.00 0.00 64.34 64.91 1wfj n VAL 17 Cb 0.50 -0.99 -0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.14 -0.80 -3.69 4.52 3.41 -1.16 -0.73 113.62 115.04 1wfj n SER 18 Ca 0.00 -1.78 -0.13 0.00 -0.26 0.00 0.00 58.87 56.70 1wfj n SER 18 Cb 0.00 1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.82 -0.63 0.11 7.33 0.00 -1.15 0.14 121.76 125.76 1wfj s ALA 19 Ca 0.10 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.15 1wfj s ALA 19 Cb -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1wfj s ALA 19 CO 0.07 -0.47 -0.00 0.15 0.00 0.00 0.00 175.76 175.52 1wfj s LYS 20 N 1.96 2.50 0.57 0.00 1.02 -0.73 -3.68 119.74 121.37 1wfj s LYS 20 Ca -0.03 -0.92 0.07 0.00 0.02 0.00 0.00 55.97 55.11 1wfj s LYS 20 Cb -0.11 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1wfj s LYS 20 CO -0.09 0.52 0.53 0.20 -0.92 0.00 0.00 175.35 175.58 1wfj s GLY 21 N -2.49 2.20 0.00 -3.33 0.00 -1.23 -1.64 107.32 100.83 1wfj s GLY 21 Ca 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1wfj s GLY 21 CO 0.18 -1.89 0.00 1.04 0.00 0.00 0.00 173.10 172.44 1wfj n LEU 22 N -1.93 0.00 0.10 0.66 7.99 -1.25 -4.92 117.00 117.65 1wfj n LEU 22 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.80 1wfj n LEU 22 Cb 0.64 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.79 1wfj n LEU 22 CO 0.39 -0.91 -0.42 1.05 -1.51 0.00 0.00 177.39 175.99 1wfj h GLU 23 N 0.00 0.44 -2.28 3.23 4.11 -2.00 -3.37 114.58 114.71 1wfj h GLU 23 Ca 0.00 -0.76 -0.62 0.00 0.07 0.00 0.00 59.36 58.06 1wfj h GLU 23 Cb 0.00 0.28 -0.40 0.00 0.50 0.00 0.00 28.75 29.13 1wfj h GLU 23 CO 0.00 1.36 -0.45 -3.47 0.07 0.00 0.00 179.01 176.52 1wfj n ASP 24 N -3.63 4.72 -3.68 3.06 -0.08 -1.26 -4.99 116.55 110.69 1wfj n ASP 24 Ca -0.21 -3.66 -0.19 0.00 -1.51 0.00 0.00 54.79 49.22 1wfj n ASP 24 Cb 1.09 -0.64 -0.17 0.00 2.34 0.00 0.00 41.12 43.73 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfj s ALA 25 N -3.43 0.10 -0.40 -1.67 0.00 -1.26 -5.03 121.76 110.07 1wfj s ALA 25 Ca 0.47 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 1wfj s ALA 25 Cb 0.25 -0.64 -0.15 0.00 0.00 0.00 0.00 23.12 22.58 1wfj s ALA 25 CO -0.12 -0.47 3.28 -0.25 0.00 0.00 0.00 175.76 178.20 1wfj n ASP 26 N 5.20 6.17 -4.61 0.00 9.92 -1.26 -4.68 116.55 127.29 1wfj n ASP 26 Ca -0.06 -2.69 -0.39 0.00 -0.53 0.00 0.00 54.79 51.13 1wfj n ASP 26 Cb 0.50 -1.40 -0.09 0.00 -0.64 0.00 0.00 41.12 39.49 1wfj n ASP 26 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1wfj s PHE 27 N 0.46 3.26 -0.92 1.24 5.36 -1.26 -4.32 117.98 121.80 1wfj s PHE 27 Ca 0.65 0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 56.96 1wfj s PHE 27 Cb 0.31 -2.51 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1wfj s PHE 27 CO -0.06 -0.17 0.78 1.28 -1.46 0.00 0.00 175.22 175.59 1wfj n LEU 28 N 5.12 -4.37 -3.99 6.12 4.77 -1.26 -4.64 117.00 118.74 1wfj n LEU 28 Ca -0.10 -0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 55.07 1wfj n LEU 28 Cb 0.51 -2.69 -0.17 0.00 -2.33 0.00 0.00 43.42 38.74 1wfj n LEU 28 CO 0.36 0.19 -0.47 0.21 -1.33 0.00 0.00 177.39 176.36 1wfj s ASN 29 N -3.69 2.16 -1.11 -1.43 3.84 -1.26 -2.64 114.94 110.80 1wfj s ASN 29 Ca 0.20 -0.35 -0.10 0.00 0.21 0.00 0.00 52.86 52.81 1wfj s ASN 29 Cb -0.03 -0.93 -0.04 0.00 -0.55 0.00 0.00 41.25 39.70 1wfj s ASN 29 CO 0.60 -0.03 0.86 -3.20 -2.79 0.00 0.00 177.10 172.54 1wfj n ASN 30 N 4.36 -5.45 -2.53 -4.21 2.85 -1.26 -4.98 115.26 104.04 1wfj n ASN 30 Ca -0.18 -0.82 -0.03 0.00 -0.11 0.00 0.00 54.58 53.43 1wfj n ASN 30 Cb 0.51 -4.46 0.02 0.00 1.24 0.00 0.00 39.78 37.09 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 -3.71 0.57 -3.25 1.20 0.00 -1.26 -5.09 117.12 105.58 1wfj n MET 31 Ca -0.11 -1.22 -0.25 0.00 0.00 0.00 0.00 57.70 56.12 1wfj n MET 31 Cb 0.62 1.60 -0.07 0.00 0.00 0.00 0.00 33.22 35.38 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 -1.18 1.98 -4.80 3.17 9.92 -1.26 -3.92 116.55 120.46 1wfj n ASP 32 Ca -0.03 -3.10 -0.34 0.00 -0.53 0.00 0.00 54.79 50.79 1wfj n ASP 32 Cb 0.42 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.02 3.77 0.05 -0.24 0.04 -1.25 -0.83 135.00 134.52 1wfj s PRO 33 Ca 0.39 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1wfj s PRO 33 Cb 0.19 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1wfj s PRO 33 CO -0.07 -0.45 -0.08 1.52 0.04 0.00 0.00 177.00 177.95 1wfj s TYR 34 N -2.02 0.73 0.16 0.56 1.13 -1.20 -3.10 117.35 113.61 1wfj s TYR 34 Ca 0.67 -0.53 -0.09 0.00 -1.41 0.00 0.00 57.07 55.71 1wfj s TYR 34 Cb -0.16 -0.43 -0.06 0.00 -1.10 0.00 0.00 41.96 40.20 1wfj s TYR 34 CO 0.21 -0.08 0.47 0.08 -2.51 0.00 0.00 175.55 173.72 1wfj s VAL 35 N -1.55 5.03 -0.20 -3.49 1.01 -1.26 -2.55 120.40 117.39 1wfj s VAL 35 Ca -0.08 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1wfj s VAL 35 Cb -0.09 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1wfj s VAL 35 CO 0.00 0.08 0.05 -1.58 0.00 0.00 0.00 175.10 173.65 1wfj s GLN 36 N -2.47 0.59 0.72 2.72 0.74 -0.29 -1.96 119.66 119.71 1wfj s GLN 36 Ca 0.41 -0.44 -0.11 0.00 0.05 0.00 0.00 55.36 55.27 1wfj s GLN 36 Cb -0.12 -2.05 0.03 0.00 1.10 0.00 0.00 33.01 31.96 1wfj s GLN 36 CO 0.21 -0.68 1.11 -0.51 -0.55 0.00 0.00 175.29 174.87 1wfj s LEU 37 N 1.88 2.83 -0.24 3.68 2.01 -0.78 -2.17 118.68 125.88 1wfj s LEU 37 Ca 0.00 1.03 -0.08 0.00 0.01 0.00 0.00 54.13 55.09 1wfj s LEU 37 Cb -0.17 -3.77 0.11 0.00 0.01 0.00 0.00 46.19 42.37 1wfj s LEU 37 CO -0.10 -1.45 0.52 -0.89 1.01 0.00 0.00 176.35 175.44 1wfj s THR 38 N -3.39 -0.80 -0.30 5.49 2.01 -0.72 -1.97 115.64 115.96 1wfj s THR 38 Ca 0.59 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 1wfj s THR 38 Cb -0.11 -0.81 0.12 0.00 0.01 0.00 0.00 72.50 71.70 1wfj s THR 38 CO 0.51 0.04 0.20 0.00 -0.69 0.00 0.00 174.62 174.67 1wfj n ARG 40 N 5.10 -3.18 -2.57 0.00 1.74 -1.26 -3.07 116.66 113.42 1wfj n ARG 40 Ca -0.02 2.60 -0.12 0.00 -0.77 0.00 0.00 57.85 59.54 1wfj n ARG 40 Cb 0.43 -5.25 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfj n THR 41 N 0.51 0.00 -3.63 0.55 -2.24 -1.26 -4.81 114.28 103.40 1wfj n THR 41 Ca 0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.55 1wfj n THR 41 Cb 0.08 -0.14 -0.17 0.00 -2.10 0.00 0.00 70.33 68.00 1wfj n THR 41 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1wfj s GLN 42 N -4.23 0.05 0.36 -0.78 0.74 -1.17 -5.14 119.66 109.48 1wfj s GLN 42 Ca 0.23 0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1wfj s GLN 42 Cb -0.13 -1.55 -0.07 0.00 1.10 0.00 0.00 33.01 32.36 1wfj s GLN 42 CO 0.28 -0.59 -0.05 0.16 -0.55 0.00 0.00 175.29 174.53 1wfj s ASP 43 N 2.14 3.64 -0.27 6.67 1.47 -1.25 0.23 116.67 129.29 1wfj s ASP 43 Ca 0.03 -1.26 -0.10 0.00 1.18 0.00 0.00 52.55 52.40 1wfj s ASP 43 Cb -0.15 -0.34 0.11 0.00 -0.34 0.00 0.00 42.92 42.20 1wfj s ASP 43 CO -0.08 -0.31 0.59 -1.10 0.68 0.00 0.00 175.17 174.95 1wfj s GLN 44 N -3.66 0.53 0.50 2.11 -0.21 -0.83 -4.93 119.66 113.16 1wfj s GLN 44 Ca 0.33 1.30 -0.08 0.00 0.02 0.00 0.00 55.36 56.93 1wfj s GLN 44 Cb 0.05 0.61 -0.04 0.00 1.00 0.00 0.00 33.01 34.62 1wfj s GLN 44 CO 0.17 -0.20 0.84 0.15 -2.12 0.00 0.00 175.29 174.12 1wfj s LYS 45 N 2.59 3.62 0.50 2.91 3.01 -1.26 -1.87 119.74 129.24 1wfj s LYS 45 Ca -0.06 0.40 0.06 0.00 -1.01 0.00 0.00 55.97 55.36 1wfj s LYS 45 Cb -0.11 -2.31 0.01 0.00 -1.01 0.00 0.00 37.83 34.41 1wfj s LYS 45 CO -0.17 -0.25 0.32 0.45 0.51 0.00 0.00 175.35 176.21 1wfj s SER 46 N -3.88 4.60 0.90 2.83 0.15 -0.83 -4.99 113.70 112.47 1wfj s SER 46 Ca 0.50 -1.19 -0.15 0.00 0.70 0.00 0.00 55.95 55.82 1wfj s SER 46 Cb -0.10 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1wfj s SER 46 CO 0.43 -0.91 0.10 0.59 1.20 0.00 0.00 173.24 174.65 1wfj n ASN 47 N -1.59 -2.97 -4.56 5.45 3.02 -1.26 -4.70 115.26 108.66 1wfj n ASN 47 Ca -0.02 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 1wfj n ASN 47 Cb 0.64 -1.08 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wfj s VAL 48 N -2.18 4.83 -0.98 2.41 1.01 -1.26 -4.70 120.40 119.53 1wfj s VAL 48 Ca 0.54 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 1wfj s VAL 48 Cb -0.24 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1wfj s VAL 48 CO 0.69 -0.43 2.20 0.00 0.00 0.00 0.00 175.10 177.56 1wfj s ALA 49 N 2.84 0.66 -0.22 5.51 0.00 -1.18 -4.86 121.76 124.50 1wfj s ALA 49 Ca 0.25 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1wfj s ALA 49 Cb -0.14 -4.65 -0.01 0.00 0.00 0.00 0.00 23.12 18.32 1wfj s ALA 49 CO 0.17 -6.41 1.32 -1.21 0.00 0.00 0.00 175.76 169.62 1wfj s GLU 50 N 8.45 4.06 -0.67 0.00 2.02 -1.26 -4.04 118.70 127.26 1wfj s GLU 50 Ca 0.84 1.50 -0.05 0.00 0.02 0.00 0.00 54.97 57.29 1wfj s GLU 50 Cb -0.08 -3.84 0.01 0.00 0.10 0.00 0.00 34.13 30.32 1wfj s GLU 50 CO 0.13 -0.93 0.46 0.41 0.02 0.00 0.00 175.26 175.35 1wfj n GLY 51 N 4.00 -0.92 0.08 -1.39 0.00 -1.25 -4.86 105.19 100.85 1wfj n GLY 51 Ca 0.15 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.43 1.32 0.00 1.61 1.56 -1.26 -5.12 117.12 112.80 1wfj n MET 52 Ca -0.22 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.21 1wfj n MET 52 Cb 0.50 -1.41 0.00 0.00 2.15 0.00 0.00 33.22 34.46 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 2.05 -0.54 0.00 -5.12 0.00 -1.26 -4.45 105.19 95.87 1wfj n GLY 53 Ca -0.27 -2.09 0.09 0.00 0.00 0.00 0.00 46.02 43.75 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 0.00 -3.22 2.61 -2.24 -1.08 -3.87 114.28 106.48 1wfj n THR 54 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1wfj n THR 54 Cb 0.00 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.78 0.03 -2.42 4.28 -2.24 -1.26 -3.48 114.28 108.40 1wfj n THR 55 Ca 0.13 -4.36 -0.43 0.00 -2.27 0.00 0.00 64.05 57.12 1wfj n THR 55 Cb 0.06 -1.67 -0.02 0.00 -2.10 0.00 0.00 70.33 66.60 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 -1.69 4.28 0.67 -0.78 0.04 -1.24 -4.83 135.00 131.45 1wfj s PRO 56 Ca 0.37 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1wfj s PRO 56 Cb 0.20 -3.68 0.12 0.00 0.04 0.00 0.00 34.50 31.19 1wfj s PRO 56 CO -0.09 -0.60 0.92 -1.21 0.04 0.00 0.00 177.00 176.06 1wfj s GLU 57 N 2.94 1.90 0.00 4.56 2.02 -1.26 -2.94 118.70 125.92 1wfj s GLU 57 Ca 0.56 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1wfj s GLU 57 Cb -0.23 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1wfj s GLU 57 CO 0.18 -1.23 0.00 0.91 0.02 0.00 0.00 175.26 175.14 1wfj n TRP 58 N -2.58 -1.25 -3.32 1.61 8.01 0.09 -4.74 117.44 115.26 1wfj n TRP 58 Ca 0.17 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 56.12 1wfj n TRP 58 Cb 0.61 0.29 0.01 0.00 -2.01 0.00 0.00 31.31 30.22 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 -2.08 -4.45 -4.22 -0.99 3.02 0.75 -4.95 115.26 102.34 1wfj n ASN 59 Ca 0.00 -0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 53.96 1wfj n ASN 59 Cb 0.00 -3.64 0.10 0.00 -0.61 0.00 0.00 39.78 35.63 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 -3.89 0.05 -3.68 3.52 -0.58 -0.96 -4.90 120.64 110.20 1wfj n GLU 60 Ca -0.04 -2.37 -0.09 0.00 -0.42 0.00 0.00 57.16 54.25 1wfj n GLU 60 Cb 0.56 -0.54 -0.10 0.00 -0.57 0.00 0.00 31.44 30.80 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 -2.57 -0.20 -0.13 2.62 2.01 -1.26 -1.94 115.64 114.18 1wfj s THR 61 Ca 0.57 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1wfj s THR 61 Cb -0.03 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1wfj s THR 61 CO 0.37 0.04 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.80 1wfj s PHE 62 N 1.77 2.32 -0.17 4.92 0.08 0.56 -4.94 117.98 122.52 1wfj s PHE 62 Ca -0.08 -1.16 -0.10 0.00 0.12 0.00 0.00 56.93 55.72 1wfj s PHE 62 Cb -0.09 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1wfj s PHE 62 CO -0.14 -0.56 0.15 0.42 -0.10 0.00 0.00 175.22 174.99 1wfj s ILE 63 N 0.95 5.42 0.25 0.64 -1.09 -1.26 -0.70 121.20 125.41 1wfj s ILE 63 Ca -0.06 0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.68 1wfj s ILE 63 Cb -0.15 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1wfj s ILE 63 CO -0.03 0.49 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.69 1wfj s PHE 64 N -0.04 1.90 -0.39 3.97 0.08 0.50 -4.94 117.98 119.06 1wfj s PHE 64 Ca 0.11 -0.59 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 1wfj s PHE 64 Cb -0.12 -0.96 0.07 0.00 -0.57 0.00 0.00 43.02 41.44 1wfj s PHE 64 CO 0.00 0.38 0.20 0.99 -0.10 0.00 0.00 175.22 176.70 1wfj s THR 65 N -2.92 3.93 0.36 0.64 2.01 -1.26 0.43 115.64 118.83 1wfj s THR 65 Ca 0.26 -1.42 -0.21 0.00 0.31 0.00 0.00 61.69 60.63 1wfj s THR 65 Cb 0.01 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 1wfj s THR 65 CO 0.10 -0.43 0.89 -0.69 -0.69 0.00 0.00 174.62 173.80 1wfj s VAL 66 N 1.37 4.41 -0.43 3.82 1.01 0.63 -4.96 120.40 126.26 1wfj s VAL 66 Ca 0.02 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.50 1wfj s VAL 66 Cb -0.22 -3.73 0.27 0.00 0.00 0.00 0.00 36.38 32.70 1wfj s VAL 66 CO 0.01 -0.12 1.07 -1.20 0.00 0.00 0.00 175.10 174.86 1wfj n SER 67 N -0.14 -2.22 -1.41 3.32 7.64 -1.26 -2.89 113.62 116.64 1wfj n SER 67 Ca 0.04 -2.86 0.17 0.00 1.01 0.00 0.00 58.87 57.23 1wfj n SER 67 Cb 0.53 1.51 -0.09 0.00 -1.01 0.00 0.00 64.21 65.15 1wfj n SER 67 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfj n GLU 68 N 1.24 -3.16 0.00 1.43 1.02 -1.25 -4.71 120.64 115.22 1wfj n GLU 68 Ca 0.05 2.56 0.00 0.00 -0.02 0.00 0.00 57.16 59.75 1wfj n GLU 68 Cb 0.68 -3.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 1wfj n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wfj n GLY 69 N -4.29 1.63 3.66 0.62 0.00 -1.26 -4.90 105.19 100.65 1wfj n GLY 69 Ca -0.08 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1wfj n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 70 N 0.00 4.70 -0.01 2.61 2.01 -1.26 -4.84 115.64 118.85 1wfj s THR 70 Ca 0.00 1.97 0.01 0.00 0.31 0.00 0.00 61.69 63.99 1wfj s THR 70 Cb 0.00 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1wfj s THR 70 CO 0.00 -0.17 0.74 0.35 -0.69 0.00 0.00 174.62 174.85 1wfj n THR 71 N 5.31 0.28 -3.53 -0.82 -2.24 -1.26 -4.82 114.28 107.20 1wfj n THR 71 Ca 0.11 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1wfj n THR 71 Cb 0.46 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.34 1.00 -0.04 -0.78 -1.05 -1.26 -1.12 118.70 115.10 1wfj s GLU 72 Ca 0.02 0.28 -0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1wfj s GLU 72 Cb 0.02 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1wfj s GLU 72 CO 0.00 -0.31 0.01 -1.17 0.95 0.00 0.00 175.26 174.75 1wfj s LEU 73 N -1.11 3.59 -0.17 1.83 2.96 1.04 -4.85 118.68 121.97 1wfj s LEU 73 Ca -0.10 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1wfj s LEU 73 Cb -0.00 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1wfj s LEU 73 CO 0.09 0.33 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.90 1wfj s LYS 74 N -1.26 3.75 -0.20 1.98 3.01 -1.17 -0.55 119.74 125.29 1wfj s LYS 74 Ca 0.17 -0.47 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 1wfj s LYS 74 Cb -0.11 -3.02 0.05 0.00 -1.01 0.00 0.00 37.83 33.73 1wfj s LYS 74 CO 0.07 0.22 -0.07 0.00 0.51 0.00 0.00 175.35 176.07 1wfj s ALA 75 N 0.46 1.83 -0.06 5.17 0.00 -0.83 -1.75 121.76 126.59 1wfj s ALA 75 Ca -0.01 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1wfj s ALA 75 Cb -0.14 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1wfj s ALA 75 CO 0.02 -0.93 -0.15 0.15 0.00 0.00 0.00 175.76 174.85 1wfj s LYS 76 N 1.47 2.56 0.02 0.00 1.02 -0.92 -0.07 119.74 123.82 1wfj s LYS 76 Ca -0.02 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.30 1wfj s LYS 76 Cb -0.17 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1wfj s LYS 76 CO -0.07 0.58 -0.07 0.42 -0.92 0.00 0.00 175.35 175.29 1wfj s ILE 77 N -0.62 3.65 0.00 2.17 1.09 0.78 -1.14 121.20 127.13 1wfj s ILE 77 Ca 0.09 -0.85 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 1wfj s ILE 77 Cb -0.11 -2.61 0.00 0.00 -1.06 0.00 0.00 42.46 38.68 1wfj s ILE 77 CO 0.01 0.34 0.00 0.49 -0.10 0.00 0.00 174.94 175.67 1wfj n PHE 78 N 1.37 0.00 -3.99 3.97 3.01 -1.06 0.64 117.46 121.40 1wfj n PHE 78 Ca -0.15 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.12 1wfj n PHE 78 Cb 0.52 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.83 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wfj s ASP 79 N 1.29 0.81 0.57 4.37 -1.08 -1.26 -3.26 116.67 118.11 1wfj s ASP 79 Ca 0.00 -0.07 0.48 0.00 -0.52 0.00 0.00 52.55 52.44 1wfj s ASP 79 Cb 0.00 -0.34 1.64 0.00 -1.46 0.00 0.00 42.92 42.76 1wfj s ASP 79 CO 0.00 -0.10 1.54 0.07 0.52 0.00 0.00 175.17 177.19 1wfj h LYS 80 N 7.42 0.00 0.16 4.34 2.10 -1.32 1.50 116.57 130.76 1wfj h LYS 80 Ca -0.36 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 1wfj h LYS 80 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1wfj h LYS 80 CO 0.43 0.00 -0.08 -0.44 -2.00 0.00 0.00 179.45 177.36 1wfj h ASP 81 N 0.00 -0.18 -0.43 7.07 3.32 -1.94 -3.45 116.42 120.80 1wfj h ASP 81 Ca 0.88 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1wfj h ASP 81 Cb 3.69 0.05 0.00 0.00 0.22 0.00 0.00 39.33 43.28 1wfj h ASP 81 CO -0.01 0.36 0.00 1.33 -1.72 0.00 0.00 179.24 179.20 1wfj n VAL 82 N -4.93 0.00 -3.95 -1.35 0.24 0.51 -5.09 118.33 103.76 1wfj n VAL 82 Ca -0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 1wfj n VAL 82 Cb 0.27 -1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 31.53 1wfj n VAL 82 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wfj s GLY 83 N -1.43 0.19 0.41 7.63 0.00 -1.26 -4.74 107.32 108.11 1wfj s GLY 83 Ca 0.00 -0.49 0.27 0.00 0.00 0.00 0.00 44.72 44.50 1wfj s GLY 83 CO 0.00 -0.60 1.56 -1.30 0.00 0.00 0.00 173.10 172.77 1wfj n THR 84 N 1.33 -0.33 -3.44 0.90 -2.24 -1.26 -1.52 114.28 107.73 1wfj n THR 84 Ca -0.22 1.90 -0.38 0.00 -2.27 0.00 0.00 64.05 63.07 1wfj n THR 84 Cb 0.56 -3.10 -0.04 0.00 -2.10 0.00 0.00 70.33 65.66 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 -4.95 3.16 0.03 -0.78 1.02 -1.26 -4.61 120.64 113.25 1wfj n GLU 85 Ca 0.39 -4.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.02 1wfj n GLU 85 Cb 1.44 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 2.04 -0.50 -3.31 1.62 2.03 -0.57 -5.12 116.55 112.74 1wfj n ASP 86 Ca 0.24 0.12 0.02 0.00 0.52 0.00 0.00 54.79 55.70 1wfj n ASP 86 Cb 0.37 0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 41.56 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wfj s ASP 87 N -1.15 -1.28 -0.36 1.67 2.15 -1.25 -5.03 116.67 111.43 1wfj s ASP 87 Ca 0.00 1.08 -0.17 0.00 0.43 0.00 0.00 52.55 53.89 1wfj s ASP 87 Cb 0.00 2.19 -0.00 0.00 -0.30 0.00 0.00 42.92 44.80 1wfj s ASP 87 CO 0.00 -0.24 0.44 0.00 -0.17 0.00 0.00 175.17 175.20 1wfj s ALA 88 N 2.87 3.48 0.58 3.66 0.00 -1.26 -4.53 121.76 126.56 1wfj s ALA 88 Ca 0.12 -1.17 0.35 0.00 0.00 0.00 0.00 51.96 51.26 1wfj s ALA 88 Cb -0.14 -2.94 1.35 0.00 0.00 0.00 0.00 23.12 21.39 1wfj s ALA 88 CO -0.20 -1.22 1.56 -0.39 0.00 0.00 0.00 175.76 175.52 1wfj h VAL 89 N 5.60 0.13 0.00 0.00 -1.51 -0.07 -3.44 116.25 116.96 1wfj h VAL 89 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1wfj h VAL 89 Cb 1.13 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1wfj h VAL 89 CO 0.74 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.69 1wfj n GLY 90 N -1.75 -1.35 3.70 5.19 0.00 -1.17 -4.76 105.19 105.05 1wfj n GLY 90 Ca 0.27 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1wfj n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 91 N -1.39 1.72 0.00 1.61 4.04 0.48 -0.15 118.70 125.00 1wfj s GLU 91 Ca 0.00 -1.20 -0.19 0.00 0.04 0.00 0.00 54.97 53.63 1wfj s GLU 91 Cb 0.00 0.53 0.04 0.00 0.02 0.00 0.00 34.13 34.72 1wfj s GLU 91 CO 0.00 -0.75 0.41 0.00 -1.84 0.00 0.00 175.26 173.07 1wfj s ALA 92 N -3.78 -1.02 -0.30 -0.84 0.00 0.90 0.16 121.76 116.88 1wfj s ALA 92 Ca 0.18 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 1wfj s ALA 92 Cb -0.03 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1wfj s ALA 92 CO 0.09 -0.35 0.05 0.99 0.00 0.00 0.00 175.76 176.54 1wfj s THR 93 N -1.77 3.56 -0.44 0.00 2.01 -1.26 -1.96 115.64 115.77 1wfj s THR 93 Ca -0.10 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.82 1wfj s THR 93 Cb -0.03 -2.93 0.11 0.00 0.01 0.00 0.00 72.50 69.66 1wfj s THR 93 CO 0.03 -0.02 0.29 -0.63 -0.69 0.00 0.00 174.62 173.60 1wfj s ILE 94 N 1.40 3.98 0.33 1.82 1.01 0.29 -4.93 121.20 125.09 1wfj s ILE 94 Ca -0.01 -1.76 -0.27 0.00 0.00 0.00 0.00 60.65 58.61 1wfj s ILE 94 Cb -0.18 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 1wfj s ILE 94 CO 0.01 -0.69 1.07 -2.16 0.00 0.00 0.00 174.94 173.17 1wfj s PRO 95 N 1.32 4.44 0.00 2.79 0.04 -1.26 0.34 135.00 142.67 1wfj s PRO 95 Ca 0.05 1.66 0.22 0.00 0.04 0.00 0.00 61.00 62.98 1wfj s PRO 95 Cb -0.25 -2.91 0.61 0.00 0.04 0.00 0.00 34.50 32.00 1wfj s PRO 95 CO -0.01 0.07 1.52 1.28 0.04 0.00 0.00 177.00 179.90 1wfj n LEU 96 N 0.65 3.88 -0.11 -3.56 4.77 -0.28 -4.28 117.00 118.07 1wfj n LEU 96 Ca 0.02 -1.95 -0.09 0.00 -0.03 0.00 0.00 56.01 53.96 1wfj n LEU 96 Cb 0.47 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1wfj n LEU 96 CO 0.50 0.96 0.70 -0.08 -1.33 0.00 0.00 177.39 178.13 1wfj h GLU 97 N 4.23 0.84 -0.00 3.23 4.81 -1.92 0.36 114.58 126.13 1wfj h GLU 97 Ca 0.00 -0.34 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 1wfj h GLU 97 Cb 0.98 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1wfj h GLU 97 CO 0.00 0.98 -0.75 -1.00 -0.73 0.00 0.00 179.01 177.51 1wfj h PRO 98 N 0.73 0.01 0.00 0.92 0.13 -1.93 -2.23 132.00 129.63 1wfj h PRO 98 Ca 0.10 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 65.01 1wfj h PRO 98 Cb 0.75 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 1wfj h PRO 98 CO 0.06 0.76 -1.02 -0.24 -0.23 0.00 0.00 178.00 177.33 1wfj h VAL 99 N 0.01 1.67 0.00 1.56 3.04 -1.75 0.57 116.25 121.35 1wfj h VAL 99 Ca -0.01 -3.38 0.00 0.00 -1.01 0.00 0.00 66.70 62.30 1wfj h VAL 99 Cb 1.33 2.83 0.00 0.00 -2.01 0.00 0.00 31.29 33.43 1wfj h VAL 99 CO 0.10 0.95 0.00 -0.26 -1.01 0.00 0.00 177.57 177.35 1wfj h PHE 100 N 0.00 0.00 0.03 3.17 0.04 -0.21 1.34 116.94 121.31 1wfj h PHE 100 Ca -0.02 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.36 1wfj h PHE 100 Cb 1.77 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.87 1wfj h PHE 100 CO 0.00 0.00 -2.26 0.28 -0.60 0.00 0.00 178.31 175.73 1wfj n VAL 101 N -3.00 1.57 0.06 -0.55 0.31 -0.85 -4.54 118.33 111.34 1wfj n VAL 101 Ca 0.03 -0.48 -0.22 0.00 -0.01 0.00 0.00 64.34 63.65 1wfj n VAL 101 Cb 0.45 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.56 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wfj h GLU 102 N -0.34 0.36 0.00 5.55 5.08 -0.94 -3.48 114.58 120.81 1wfj h GLU 102 Ca -0.55 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.19 1wfj h GLU 102 Cb 1.79 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1wfj h GLU 102 CO -0.15 1.30 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 1wfj n GLY 103 N 1.77 0.38 3.57 -3.84 0.00 0.46 -4.99 105.19 102.54 1wfj n GLY 103 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.31 -0.79 -0.06 1.61 1.04 -1.24 -1.94 113.70 110.02 1wfj s SER 104 Ca 0.00 1.16 0.05 0.00 0.48 0.00 0.00 55.95 57.64 1wfj s SER 104 Cb 0.00 1.69 -0.01 0.00 0.10 0.00 0.00 66.02 67.80 1wfj s SER 104 CO 0.00 -0.17 -0.23 -0.63 0.98 0.00 0.00 173.24 173.19 1wfj s ILE 105 N 2.17 1.88 0.97 -1.02 -1.09 0.51 -4.91 121.20 119.72 1wfj s ILE 105 Ca -0.06 -0.97 -0.14 0.00 -2.23 0.00 0.00 60.65 57.25 1wfj s ILE 105 Cb -0.07 -1.60 0.18 0.00 -1.58 0.00 0.00 42.46 39.39 1wfj s ILE 105 CO -0.18 0.53 1.17 -2.16 -1.23 0.00 0.00 174.94 173.07 1wfj s PRO 106 N -0.06 0.62 -0.61 2.79 0.04 -1.26 -1.27 135.00 135.25 1wfj s PRO 106 Ca -0.05 0.08 -0.27 0.00 0.04 0.00 0.00 61.00 60.80 1wfj s PRO 106 Cb -0.14 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wfj s PRO 106 CO 0.04 -2.51 1.53 -1.25 0.04 0.00 0.00 177.00 174.84 1wfj s PRO 107 N -5.43 3.08 0.07 0.56 0.04 -1.25 -4.27 135.00 127.80 1wfj s PRO 107 Ca 0.67 0.37 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1wfj s PRO 107 Cb -0.12 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1wfj s PRO 107 CO 0.54 -2.22 -0.09 0.99 0.04 0.00 0.00 177.00 176.26 1wfj s THR 108 N 6.89 3.42 -0.64 1.26 2.01 -0.61 -4.70 115.64 123.28 1wfj s THR 108 Ca 0.53 -1.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 1wfj s THR 108 Cb -0.11 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.86 1wfj s THR 108 CO 0.22 0.21 1.35 0.00 -0.69 0.00 0.00 174.62 175.70 1wfj s ALA 109 N -1.14 2.78 0.01 7.40 0.00 -1.26 -1.87 121.76 127.68 1wfj s ALA 109 Ca 0.20 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.95 1wfj s ALA 109 Cb -0.11 -4.16 -0.05 0.00 0.00 0.00 0.00 23.12 18.80 1wfj s ALA 109 CO 0.12 -3.08 0.77 0.71 0.00 0.00 0.00 175.76 174.28 1wfj s TYR 110 N 5.94 3.68 -0.10 0.00 2.02 0.38 -4.63 117.35 124.65 1wfj s TYR 110 Ca 0.45 1.43 -0.38 0.00 -0.37 0.00 0.00 57.07 58.21 1wfj s TYR 110 Cb -0.09 -2.85 -0.15 0.00 -0.40 0.00 0.00 41.96 38.47 1wfj s TYR 110 CO 0.21 0.18 1.63 0.09 -1.57 0.00 0.00 175.55 176.10 1wfj n ASN 111 N 3.23 2.41 -4.34 2.29 4.13 -1.26 0.11 115.26 121.82 1wfj n ASN 111 Ca -0.01 1.07 -0.38 0.00 1.68 0.00 0.00 54.58 56.94 1wfj n ASN 111 Cb 0.51 -1.22 -0.12 0.00 -1.54 0.00 0.00 39.78 37.41 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 2.48 4.16 0.39 2.41 1.01 0.62 -4.34 120.40 127.12 1wfj s VAL 112 Ca 0.91 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1wfj s VAL 112 Cb -0.94 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1wfj s VAL 112 CO 0.55 -0.09 0.20 0.68 0.00 0.00 0.00 175.10 176.45 1wfj s VAL 113 N 1.50 2.64 -0.35 2.92 -7.23 0.12 0.18 120.40 120.18 1wfj s VAL 113 Ca 0.01 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1wfj s VAL 113 Cb -0.18 -2.99 0.14 0.00 0.56 0.00 0.00 36.38 33.91 1wfj s VAL 113 CO 0.04 -0.07 0.27 -0.75 -0.31 0.00 0.00 175.10 174.28 1wfj s LYS 114 N -3.92 0.55 0.00 4.82 2.36 0.28 0.18 119.74 124.01 1wfj s LYS 114 Ca 0.41 -1.09 0.00 0.00 -2.55 0.00 0.00 55.97 52.74 1wfj s LYS 114 Cb 0.00 -1.06 0.00 0.00 -1.05 0.00 0.00 37.83 35.72 1wfj s LYS 114 CO 0.24 -1.19 0.00 -3.47 1.55 0.00 0.00 175.35 172.47 1wfj n ASP 115 N 4.21 0.00 0.00 1.43 2.03 -1.26 -2.94 116.55 120.02 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 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.57 0.00 -2.99 -0.67 0.28 -1.26 -5.13 120.64 109.29 1wfj n GLU 116 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 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 4.52 -0.50 3.44 2.02 -1.15 -5.00 118.70 122.03 1wfj s GLU 117 Ca 0.00 1.10 -0.29 0.00 0.02 0.00 0.00 54.97 55.80 1wfj s GLU 117 Cb 0.00 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.94 1wfj s GLU 117 CO 0.00 0.43 1.26 -0.47 0.02 0.00 0.00 175.26 176.50 1wfj s TYR 118 N -0.59 2.58 -0.01 1.61 5.04 -1.26 1.00 117.35 125.71 1wfj s TYR 118 Ca 0.37 0.60 -0.20 0.00 -2.44 0.00 0.00 57.07 55.39 1wfj s TYR 118 Cb -0.22 -4.42 -0.26 0.00 0.35 0.00 0.00 41.96 37.40 1wfj s TYR 118 CO 0.24 -1.63 1.03 0.87 -1.34 0.00 0.00 175.55 174.73 1wfj h LYS 119 N 9.95 0.39 0.00 4.97 1.79 0.17 -3.48 116.57 130.36 1wfj h LYS 119 Ca -0.25 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.73 1wfj h LYS 119 Cb 1.07 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1wfj h LYS 119 CO 1.14 1.17 0.00 0.41 -1.08 0.00 0.00 179.45 181.09 1wfj n GLY 120 N 1.28 -0.38 3.25 3.86 0.00 -0.41 -3.86 105.19 108.93 1wfj n GLY 120 Ca -0.12 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.60 -0.17 1.61 -1.05 -0.65 -0.27 118.70 118.76 1wfj s GLU 121 Ca 0.00 0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.87 1wfj s GLU 121 Cb 0.00 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 1wfj s GLU 121 CO 0.00 -0.14 -0.18 -1.50 0.95 0.00 0.00 175.26 174.38 1wfj s ILE 122 N -0.83 2.26 -0.19 1.83 2.07 0.29 -1.78 121.20 124.85 1wfj s ILE 122 Ca -0.09 -0.89 -0.26 0.00 -1.41 0.00 0.00 60.65 58.01 1wfj s ILE 122 Cb -0.04 -1.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.59 1wfj s ILE 122 CO 0.03 0.53 0.86 0.26 -1.91 0.00 0.00 174.94 174.71 1wfj s TRP 123 N 1.13 3.39 -0.04 3.50 0.52 0.38 0.14 118.94 127.96 1wfj s TRP 123 Ca 0.01 1.26 -0.17 0.00 0.02 0.00 0.00 56.10 57.22 1wfj s TRP 123 Cb -0.14 -3.06 0.03 0.00 -1.15 0.00 0.00 33.47 29.15 1wfj s TRP 123 CO -0.08 -0.31 0.38 0.08 0.02 0.00 0.00 176.95 177.05 1wfj s VAL 124 N 2.44 0.04 0.12 4.03 1.01 -0.78 -2.16 120.40 125.10 1wfj s VAL 124 Ca 0.38 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1wfj s VAL 124 Cb -0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1wfj s VAL 124 CO 0.11 -0.18 -0.22 0.00 0.00 0.00 0.00 175.10 174.80 1wfj s ALA 125 N -1.08 2.54 0.06 5.51 0.00 0.61 -1.57 121.76 127.83 1wfj s ALA 125 Ca -0.11 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.50 1wfj s ALA 125 Cb -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1wfj s ALA 125 CO 0.05 0.57 -0.16 -0.51 0.00 0.00 0.00 175.76 175.70 1wfj s LEU 126 N -2.09 2.22 -0.23 0.00 1.43 -0.39 -0.02 118.68 119.60 1wfj s LEU 126 Ca 0.16 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1wfj s LEU 126 Cb -0.10 -0.67 0.12 0.00 0.03 0.00 0.00 46.19 45.56 1wfj s LEU 126 CO 0.08 0.03 0.40 -0.44 0.23 0.00 0.00 176.35 176.65 1wfj s SER 127 N -1.41 0.00 0.15 2.29 0.01 -1.07 0.19 113.70 113.86 1wfj s SER 127 Ca 0.02 0.55 -0.14 0.00 1.31 0.00 0.00 55.95 57.69 1wfj s SER 127 Cb -0.09 1.23 -0.07 0.00 0.21 0.00 0.00 66.02 67.30 1wfj s SER 127 CO 0.02 -0.27 0.54 0.12 0.41 0.00 0.00 173.24 174.06 1wfj s PHE 128 N 2.58 3.60 -0.38 2.43 5.36 -0.82 0.52 117.98 131.27 1wfj s PHE 128 Ca 0.07 1.04 0.01 0.00 -0.96 0.00 0.00 56.93 57.09 1wfj s PHE 128 Cb -0.14 -2.36 0.13 0.00 -0.34 0.00 0.00 43.02 40.32 1wfj s PHE 128 CO -0.15 0.43 0.21 0.15 -1.46 0.00 0.00 175.22 174.40 1wfj s LYS 129 N -1.98 0.81 0.17 10.12 1.02 0.19 -4.73 119.74 125.34 1wfj s LYS 129 Ca 0.38 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 1wfj s LYS 129 Cb -0.15 -1.70 -0.08 0.00 -0.52 0.00 0.00 37.83 35.38 1wfj s LYS 129 CO 0.19 -1.17 1.12 -1.25 -0.92 0.00 0.00 175.35 173.32 1wfj s PRO 130 N 0.87 4.57 -0.81 -1.68 0.04 -1.26 -0.97 135.00 135.76 1wfj s PRO 130 Ca 0.17 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.70 1wfj s PRO 130 Cb -0.23 -3.27 -0.15 0.00 0.04 0.00 0.00 34.50 30.88 1wfj s PRO 130 CO -0.02 0.03 2.39 0.45 0.04 0.00 0.00 177.00 179.90 1wfj n SER 131 N 2.47 1.73 -2.82 6.66 2.88 -1.24 -4.89 113.62 118.41 1wfj n SER 131 Ca 0.03 -1.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 1wfj n SER 131 Cb 0.46 -1.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1wfj n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfj n GLY 132 N 6.75 -1.13 3.58 0.46 0.00 -1.26 -4.85 105.19 108.74 1wfj n GLY 132 Ca 0.47 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 3.26 0.10 1.61 0.04 -1.26 -4.70 135.00 134.05 1wfj s PRO 133 Ca 0.00 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1wfj s PRO 133 Cb 0.00 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1wfj s PRO 133 CO 0.00 -1.98 0.00 0.43 0.04 0.00 0.00 177.00 175.49 1wfj n SER 134 N 9.86 0.51 -4.52 6.66 7.64 -1.26 -4.96 113.62 127.54 1wfj n SER 134 Ca 0.14 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 1wfj n SER 134 Cb 0.49 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1wfj n SER 134 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfj s SER 135 N -5.48 6.23 0.00 6.43 0.15 -1.26 -5.31 113.70 114.45 1wfj s SER 135 Ca 0.00 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1wfj s SER 135 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wfj s SER 135 CO 0.00 -1.67 0.00 0.61 1.20 0.00 0.00 173.24 173.38