#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 1.78 0.21 1.61 0.15 -1.26 -5.16 113.70 111.03 1wfj s SER 2 Ca 0.00 -0.92 -0.02 0.00 0.70 0.00 0.00 55.95 55.71 1wfj s SER 2 Cb 0.00 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1wfj s SER 2 CO 0.00 -0.27 0.18 -0.94 1.20 0.00 0.00 173.24 173.41 1wfj s SER 3 N -2.85 0.19 0.00 5.45 1.04 -1.26 -5.16 113.70 111.11 1wfj s SER 3 Ca 0.13 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1wfj s SER 3 Cb -0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1wfj s SER 3 CO 0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1wfj n GLY 4 N -0.30 4.10 3.57 7.32 0.00 -1.26 -5.19 105.19 113.43 1wfj n GLY 4 Ca 0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 0.29 1.61 0.15 -1.26 -5.19 113.70 109.07 1wfj s SER 5 Ca 0.00 -0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 1wfj s SER 5 Cb 0.00 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1wfj s SER 5 CO 0.00 -0.47 0.72 -0.94 1.20 0.00 0.00 173.24 173.75 1wfj s SER 6 N -2.46 -0.21 0.00 5.45 1.04 -1.26 -5.16 113.70 111.09 1wfj s SER 6 Ca 0.08 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1wfj s SER 6 Cb -0.00 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1wfj s SER 6 CO -0.06 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1wfj n GLY 7 N -0.47 -0.91 0.00 7.32 0.00 -1.26 -5.01 105.19 104.86 1wfj n GLY 7 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.24 -3.63 1.61 -0.04 -1.26 -5.07 135.00 126.86 1wfj n PRO 8 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1wfj n PRO 8 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 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 -0.51 -0.45 -5.00 0.54 -3.43 -1.26 -4.68 115.29 100.50 1wfj s HIS 9 Ca 0.00 1.07 0.00 0.00 -0.80 0.00 0.00 55.06 55.33 1wfj s HIS 9 Cb 0.00 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 1wfj s HIS 9 CO 0.00 -0.24 0.00 0.41 -2.00 0.00 0.00 174.74 172.91 1wfj n GLY 10 N 2.03 0.25 3.89 -1.38 0.00 -1.24 -3.63 105.19 105.10 1wfj n GLY 10 Ca -0.12 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.76 4.98 -0.05 2.61 2.01 0.18 -0.15 115.64 122.46 1wfj s THR 11 Ca 0.00 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1wfj s THR 11 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1wfj s THR 11 CO 0.00 -0.14 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.43 1wfj s LEU 12 N -3.30 2.73 -0.24 4.42 1.98 0.23 0.14 118.68 124.64 1wfj s LEU 12 Ca 0.33 -0.20 0.01 0.00 -2.89 0.00 0.00 54.13 51.38 1wfj s LEU 12 Cb -0.10 -1.55 0.06 0.00 0.66 0.00 0.00 46.19 45.26 1wfj s LEU 12 CO 0.27 0.34 -0.04 -0.70 -1.89 0.00 0.00 176.35 174.33 1wfj s GLU 13 N -0.71 1.53 -0.07 1.98 2.12 -1.21 0.42 118.70 122.76 1wfj s GLU 13 Ca 0.11 -0.98 -0.08 0.00 0.36 0.00 0.00 54.97 54.38 1wfj s GLU 13 Cb -0.11 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1wfj s GLU 13 CO 0.01 -0.62 0.22 0.08 -0.54 0.00 0.00 175.26 174.40 1wfj s VAL 14 N 1.42 5.38 -0.42 3.70 1.01 0.28 0.33 120.40 132.11 1wfj s VAL 14 Ca -0.05 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1wfj s VAL 14 Cb -0.19 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.82 1wfj s VAL 14 CO -0.07 0.55 0.20 -0.69 0.00 0.00 0.00 175.10 175.09 1wfj s VAL 15 N -1.11 1.44 -0.74 2.92 1.01 0.17 0.52 120.40 124.62 1wfj s VAL 15 Ca 0.20 -2.39 -0.26 0.00 0.00 0.00 0.00 61.98 59.53 1wfj s VAL 15 Cb -0.13 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1wfj s VAL 15 CO 0.09 -0.83 2.04 -0.22 0.00 0.00 0.00 175.10 176.18 1wfj s LEU 16 N 0.56 3.19 0.00 3.92 2.96 -0.76 -2.29 118.68 126.27 1wfj s LEU 16 Ca 0.16 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1wfj s LEU 16 Cb -0.23 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1wfj s LEU 16 CO -0.04 -2.80 0.05 0.52 -1.32 0.00 0.00 176.35 172.75 1wfj n VAL 17 N 7.80 0.00 -4.10 1.68 0.31 -1.02 0.19 118.33 123.19 1wfj n VAL 17 Ca 0.34 0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.72 1wfj n VAL 17 Cb 0.49 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.16 -0.88 -3.61 4.52 3.41 -1.04 -0.53 113.62 115.34 1wfj n SER 18 Ca 0.00 -2.70 -0.10 0.00 -0.26 0.00 0.00 58.87 55.81 1wfj n SER 18 Cb 0.00 1.78 -0.10 0.00 -0.26 0.00 0.00 64.21 65.62 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 -2.84 -0.96 -0.00 7.33 0.00 -1.10 0.16 121.76 124.34 1wfj s ALA 19 Ca 0.28 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 1wfj s ALA 19 Cb 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1wfj s ALA 19 CO 0.20 -0.81 0.26 0.15 0.00 0.00 0.00 175.76 175.56 1wfj s LYS 20 N 2.54 3.58 0.00 0.00 1.02 -0.02 -3.79 119.74 123.07 1wfj s LYS 20 Ca 0.01 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1wfj s LYS 20 Cb -0.13 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1wfj s LYS 20 CO -0.12 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 1wfj n GLY 21 N 1.22 2.49 1.50 -3.33 0.00 -1.04 0.58 105.19 106.62 1wfj n GLY 21 Ca -0.12 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.00 0.99 4.77 -1.20 -4.64 117.00 116.91 1wfj n LEU 22 Ca 0.00 -1.31 0.07 0.00 -0.03 0.00 0.00 56.01 54.74 1wfj n LEU 22 Cb 0.00 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1wfj n LEU 22 CO 0.00 -0.20 -0.51 -1.84 -1.33 0.00 0.00 177.39 173.52 1wfj n GLU 23 N -0.55 0.94 -2.55 3.23 0.28 -1.26 -4.54 120.64 116.19 1wfj n GLU 23 Ca -0.08 -0.10 -0.23 0.00 -0.16 0.00 0.00 57.16 56.59 1wfj n GLU 23 Cb 0.26 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1wfj n GLU 23 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wfj n ASP 24 N -1.83 3.91 -3.15 -1.84 2.03 -1.26 -4.93 116.55 109.49 1wfj n ASP 24 Ca -0.01 -3.48 0.05 0.00 0.52 0.00 0.00 54.79 51.86 1wfj n ASP 24 Cb 0.34 -0.48 -0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -3.43 -3.08 -0.84 -1.67 0.00 -1.26 -5.08 121.76 106.39 1wfj s ALA 25 Ca 0.43 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 1wfj s ALA 25 Cb 0.41 -2.67 -0.20 0.00 0.00 0.00 0.00 23.12 20.67 1wfj s ALA 25 CO -0.13 -1.95 2.35 -0.25 0.00 0.00 0.00 175.76 175.77 1wfj n ASP 26 N 5.27 0.89 -3.68 0.00 9.92 -1.26 -4.51 116.55 123.18 1wfj n ASP 26 Ca 0.07 -1.20 -0.16 0.00 -0.53 0.00 0.00 54.79 52.97 1wfj n ASP 26 Cb 0.56 -1.34 -0.15 0.00 -0.64 0.00 0.00 41.12 39.54 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 10.63 -0.20 -0.90 1.24 5.36 -1.26 -4.89 117.98 127.96 1wfj s PHE 27 Ca 1.04 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.62 1wfj s PHE 27 Cb -0.34 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.10 1wfj s PHE 27 CO 0.23 -0.26 0.76 1.28 -1.46 0.00 0.00 175.22 175.77 1wfj n LEU 28 N 5.15 -4.09 -4.01 6.12 4.77 -1.26 -4.75 117.00 118.93 1wfj n LEU 28 Ca -0.08 -0.51 -0.30 0.00 -0.03 0.00 0.00 56.01 55.09 1wfj n LEU 28 Cb 0.50 -2.60 -0.16 0.00 -2.33 0.00 0.00 43.42 38.83 1wfj n LEU 28 CO 0.06 0.22 -0.48 0.21 -1.33 0.00 0.00 177.39 176.07 1wfj s ASN 29 N -3.78 2.69 -0.94 -1.43 3.84 -1.26 -1.67 114.94 112.39 1wfj s ASN 29 Ca 0.14 -0.50 -0.10 0.00 0.21 0.00 0.00 52.86 52.60 1wfj s ASN 29 Cb -0.02 -1.16 0.01 0.00 -0.55 0.00 0.00 41.25 39.54 1wfj s ASN 29 CO 0.58 -0.07 0.66 0.59 -2.79 0.00 0.00 177.10 176.07 1wfj n ASN 30 N 4.78 -5.12 -1.90 -4.21 3.02 -1.26 -4.94 115.26 105.63 1wfj n ASN 30 Ca -0.16 -0.94 -0.03 0.00 -0.03 0.00 0.00 54.58 53.41 1wfj n ASN 30 Cb 0.50 -2.34 0.01 0.00 -0.61 0.00 0.00 39.78 37.34 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1wfj n MET 31 N -3.27 0.47 -3.38 3.52 0.00 -1.26 -5.09 117.12 108.12 1wfj n MET 31 Ca -0.21 -0.95 -0.26 0.00 0.00 0.00 0.00 57.70 56.29 1wfj n MET 31 Cb 0.63 1.20 -0.08 0.00 0.00 0.00 0.00 33.22 34.97 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 -1.16 2.32 -4.75 3.17 9.92 -1.26 -3.76 116.55 121.03 1wfj n ASP 32 Ca -0.03 -3.13 -0.41 0.00 -0.53 0.00 0.00 54.79 50.69 1wfj n ASP 32 Cb 0.28 -0.66 -0.04 0.00 -0.64 0.00 0.00 41.12 40.05 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 -1.86 4.62 -0.02 -0.24 0.04 -1.26 -0.67 135.00 135.62 1wfj s PRO 33 Ca 0.37 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1wfj s PRO 33 Cb 0.14 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1wfj s PRO 33 CO -0.06 0.15 -0.12 1.52 0.04 0.00 0.00 177.00 178.53 1wfj s TYR 34 N -0.70 1.10 0.25 0.56 1.13 -1.05 -3.44 117.35 115.19 1wfj s TYR 34 Ca 0.47 -0.24 -0.08 0.00 -1.41 0.00 0.00 57.07 55.81 1wfj s TYR 34 Cb -0.31 -0.73 -0.07 0.00 -1.10 0.00 0.00 41.96 39.75 1wfj s TYR 34 CO 0.38 -0.06 0.55 0.08 -2.51 0.00 0.00 175.55 173.99 1wfj s VAL 35 N -0.12 4.96 -0.32 -3.49 1.01 -1.26 -1.32 120.40 119.87 1wfj s VAL 35 Ca 0.02 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1wfj s VAL 35 Cb -0.06 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1wfj s VAL 35 CO 0.00 -0.15 0.11 -1.58 0.00 0.00 0.00 175.10 173.48 1wfj s GLN 36 N -3.03 0.78 0.25 2.72 0.74 -0.96 -1.86 119.66 118.30 1wfj s GLN 36 Ca 0.46 -1.17 -0.30 0.00 0.05 0.00 0.00 55.36 54.40 1wfj s GLN 36 Cb -0.11 -2.06 -0.10 0.00 1.10 0.00 0.00 33.01 31.84 1wfj s GLN 36 CO 0.24 -1.00 1.41 -0.51 -0.55 0.00 0.00 175.29 174.89 1wfj s LEU 37 N 1.50 4.39 -0.03 3.68 2.01 0.92 -3.67 118.68 127.49 1wfj s LEU 37 Ca 0.10 2.64 0.04 0.00 0.01 0.00 0.00 54.13 56.92 1wfj s LEU 37 Cb -0.18 -3.62 -0.00 0.00 0.01 0.00 0.00 46.19 42.40 1wfj s LEU 37 CO -0.23 -0.67 -0.15 -0.89 1.01 0.00 0.00 176.35 175.43 1wfj s THR 38 N -0.10 1.22 -0.31 5.49 2.01 -0.84 -0.84 115.64 122.28 1wfj s THR 38 Ca 0.58 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1wfj s THR 38 Cb -0.41 -1.05 0.11 0.00 0.01 0.00 0.00 72.50 71.16 1wfj s THR 38 CO 0.44 0.36 0.17 0.00 -0.69 0.00 0.00 174.62 174.90 1wfj n ARG 40 N 4.96 0.00 0.00 0.00 0.63 -1.26 0.56 116.66 121.56 1wfj n ARG 40 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1wfj n ARG 40 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1wfj n THR 41 N 0.00 0.24 -3.53 5.15 -2.24 -1.26 -5.03 114.28 107.61 1wfj n THR 41 Ca 0.00 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 1wfj n THR 41 Cb 0.00 0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.24 3.38 -0.11 -0.78 -0.21 0.19 -5.06 119.66 116.84 1wfj s GLN 42 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1wfj s GLN 42 Cb 0.00 -3.82 -0.02 0.00 1.00 0.00 0.00 33.01 30.18 1wfj s GLN 42 CO 0.00 -0.50 -0.14 0.16 -2.12 0.00 0.00 175.29 172.69 1wfj s ASP 43 N 1.70 3.92 -0.13 5.90 -4.77 -1.26 0.14 116.67 122.17 1wfj s ASP 43 Ca 0.06 -0.32 -0.05 0.00 -3.30 0.00 0.00 52.55 48.94 1wfj s ASP 43 Cb -0.18 -1.40 0.06 0.00 -1.09 0.00 0.00 42.92 40.32 1wfj s ASP 43 CO 0.10 0.21 0.28 -1.10 0.70 0.00 0.00 175.17 175.36 1wfj s GLN 44 N 0.08 0.19 0.39 2.11 -0.21 -0.02 -5.00 119.66 117.21 1wfj s GLN 44 Ca -0.06 0.72 0.02 0.00 0.02 0.00 0.00 55.36 56.05 1wfj s GLN 44 Cb -0.15 -0.03 -0.01 0.00 1.00 0.00 0.00 33.01 33.82 1wfj s GLN 44 CO 0.05 -0.24 0.59 0.15 -2.12 0.00 0.00 175.29 173.71 1wfj s LYS 45 N 2.08 3.20 0.39 2.91 1.02 -1.26 -0.05 119.74 128.02 1wfj s LYS 45 Ca -0.02 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.50 1wfj s LYS 45 Cb -0.11 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1wfj s LYS 45 CO -0.09 -0.07 0.19 -1.54 -0.92 0.00 0.00 175.35 172.91 1wfj s SER 46 N -4.15 4.57 0.64 2.83 1.04 -0.77 -4.94 113.70 112.92 1wfj s SER 46 Ca 0.45 -0.94 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1wfj s SER 46 Cb -0.10 -0.57 -0.08 0.00 0.10 0.00 0.00 66.02 65.37 1wfj s SER 46 CO 0.36 -0.47 0.36 -0.46 0.98 0.00 0.00 173.24 174.02 1wfj n ASN 47 N -1.24 -1.73 -4.63 7.02 0.23 -1.26 -4.71 115.26 108.95 1wfj n ASN 47 Ca -0.01 0.64 -0.43 0.00 -0.53 0.00 0.00 54.58 54.25 1wfj n ASN 47 Cb 0.63 -1.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.18 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1wfj s VAL 48 N -1.85 4.52 -1.01 3.53 1.01 -1.26 -4.77 120.40 120.57 1wfj s VAL 48 Ca 0.64 1.52 -0.25 0.00 0.00 0.00 0.00 61.98 63.90 1wfj s VAL 48 Cb -0.40 -4.39 -0.12 0.00 0.00 0.00 0.00 36.38 31.47 1wfj s VAL 48 CO 0.59 -0.52 2.07 0.00 0.00 0.00 0.00 175.10 177.23 1wfj s ALA 49 N 3.63 1.24 -0.09 5.51 0.00 -1.22 -4.89 121.76 125.94 1wfj s ALA 49 Ca 0.43 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1wfj s ALA 49 Cb -0.12 -4.63 -0.03 0.00 0.00 0.00 0.00 23.12 18.34 1wfj s ALA 49 CO 0.17 -5.65 1.32 -1.21 0.00 0.00 0.00 175.76 170.39 1wfj s GLU 50 N 7.52 4.27 -0.54 0.00 2.02 -1.26 -4.04 118.70 126.66 1wfj s GLU 50 Ca 0.76 1.79 -0.18 0.00 0.02 0.00 0.00 54.97 57.37 1wfj s GLU 50 Cb -0.06 -3.70 0.03 0.00 0.10 0.00 0.00 34.13 30.50 1wfj s GLU 50 CO 0.10 -0.63 0.55 0.41 0.02 0.00 0.00 175.26 175.70 1wfj n GLY 51 N 3.62 -0.46 0.03 -1.39 0.00 -1.25 -4.89 105.19 100.85 1wfj n GLY 51 Ca 0.13 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.90 1wfj n GLY 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfj n MET 52 N -1.21 2.57 0.00 1.61 2.81 -1.26 -5.10 117.12 116.54 1wfj n MET 52 Ca -0.18 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1wfj n MET 52 Cb 0.60 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 1wfj n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wfj n GLY 53 N 2.80 0.58 1.75 3.03 0.00 -1.26 -4.35 105.19 107.73 1wfj n GLY 53 Ca -0.09 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.26 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 2.34 -2.96 2.61 -2.24 -0.67 -4.19 114.28 109.17 1wfj n THR 54 Ca 0.00 -1.27 -0.15 0.00 -2.27 0.00 0.00 64.05 60.36 1wfj n THR 54 Cb 0.00 -0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.79 -0.22 -2.53 4.28 -2.24 -1.25 -2.50 114.28 110.61 1wfj n THR 55 Ca 0.26 -2.89 -0.37 0.00 -2.27 0.00 0.00 64.05 58.78 1wfj n THR 55 Cb 1.06 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.65 4.25 -0.01 -0.78 0.04 -1.25 -4.82 135.00 131.78 1wfj s PRO 56 Ca 0.32 1.57 0.08 0.00 0.04 0.00 0.00 61.00 63.01 1wfj s PRO 56 Cb 0.26 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1wfj s PRO 56 CO -0.12 -0.08 -0.25 -1.21 0.04 0.00 0.00 177.00 175.38 1wfj s GLU 57 N -2.29 2.08 0.00 4.56 8.01 -1.26 -2.72 118.70 127.08 1wfj s GLU 57 Ca 0.55 -0.95 0.00 0.00 0.01 0.00 0.00 54.97 54.59 1wfj s GLU 57 Cb -0.24 -2.05 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 1wfj s GLU 57 CO 0.30 0.56 0.00 0.91 0.01 0.00 0.00 175.26 177.04 1wfj n TRP 58 N 2.33 0.00 -2.16 1.61 8.01 0.31 -4.94 117.44 122.61 1wfj n TRP 58 Ca -0.16 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.91 1wfj n TRP 58 Cb 0.51 0.01 -0.02 0.00 -2.01 0.00 0.00 31.31 29.80 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 -2.64 -3.63 -4.63 -0.99 4.13 0.51 -4.92 115.26 103.09 1wfj n ASN 59 Ca 0.00 0.23 -0.26 0.00 1.68 0.00 0.00 54.58 56.22 1wfj n ASN 59 Cb 0.48 -3.17 0.11 0.00 -1.54 0.00 0.00 39.78 35.66 1wfj n ASN 59 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wfj s GLU 60 N -4.50 1.60 -0.02 3.52 0.41 -0.91 -4.86 118.70 113.95 1wfj s GLU 60 Ca 0.00 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.06 1wfj s GLU 60 Cb 0.00 -2.11 0.01 0.00 -1.78 0.00 0.00 34.13 30.25 1wfj s GLU 60 CO 0.00 -1.65 -0.01 0.99 -0.49 0.00 0.00 175.26 174.10 1wfj s THR 61 N -3.42 0.19 -0.04 3.63 2.01 -1.26 -1.82 115.64 114.93 1wfj s THR 61 Ca 0.66 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.67 1wfj s THR 61 Cb -0.07 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1wfj s THR 61 CO 0.47 0.11 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.09 1wfj s PHE 62 N 0.54 0.84 0.01 4.92 0.08 0.18 -4.96 117.98 119.58 1wfj s PHE 62 Ca -0.05 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1wfj s PHE 62 Cb -0.08 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 1wfj s PHE 62 CO -0.01 -0.18 0.15 0.42 -0.10 0.00 0.00 175.22 175.49 1wfj s ILE 63 N 0.78 5.16 -0.14 0.64 -1.09 -1.26 0.10 121.20 125.39 1wfj s ILE 63 Ca -0.11 -0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 57.95 1wfj s ILE 63 Cb -0.14 -3.41 0.07 0.00 -1.58 0.00 0.00 42.46 37.39 1wfj s ILE 63 CO 0.01 0.30 0.31 -0.36 -1.23 0.00 0.00 174.94 173.97 1wfj s PHE 64 N -1.31 -0.51 0.32 3.97 0.08 0.17 -4.96 117.98 115.74 1wfj s PHE 64 Ca 0.27 1.10 -0.29 0.00 0.12 0.00 0.00 56.93 58.13 1wfj s PHE 64 Cb -0.12 0.08 -0.11 0.00 -0.57 0.00 0.00 43.02 42.30 1wfj s PHE 64 CO 0.18 -0.37 1.45 0.99 -0.10 0.00 0.00 175.22 177.38 1wfj s THR 65 N 2.22 2.37 0.24 0.64 2.01 -1.26 0.77 115.64 122.62 1wfj s THR 65 Ca -0.02 0.34 0.11 0.00 0.31 0.00 0.00 61.69 62.43 1wfj s THR 65 Cb -0.11 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1wfj s THR 65 CO -0.10 0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.02 1wfj s VAL 66 N -0.62 2.25 0.27 3.82 1.01 0.79 -4.83 120.40 123.09 1wfj s VAL 66 Ca 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1wfj s VAL 66 Cb -0.44 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1wfj s VAL 66 CO 0.53 -0.40 0.00 -1.54 0.00 0.00 0.00 175.10 173.69 1wfj n SER 67 N -0.37 -2.41 -3.54 3.32 3.41 -1.26 -3.66 113.62 109.10 1wfj n SER 67 Ca -0.07 0.53 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 1wfj n SER 67 Cb 0.59 2.44 -0.03 0.00 -0.26 0.00 0.00 64.21 66.95 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 -2.00 0.64 0.00 4.33 -1.05 -1.26 -4.60 118.70 114.75 1wfj s GLU 68 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 1wfj s GLU 68 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1wfj s GLU 68 CO 0.00 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.36 1wfj n GLY 69 N 0.05 1.54 3.60 -3.83 0.00 -1.26 -4.89 105.19 100.40 1wfj n GLY 69 Ca -0.07 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 4.09 -0.00 2.61 2.01 -1.26 -4.75 115.64 118.34 1wfj s THR 70 Ca 0.00 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.13 1wfj s THR 70 Cb 0.00 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1wfj s THR 70 CO 0.00 -0.86 0.58 0.35 -0.69 0.00 0.00 174.62 174.00 1wfj n THR 71 N 6.86 0.13 -3.69 -0.82 -2.24 -1.26 -4.75 114.28 108.51 1wfj n THR 71 Ca 0.14 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1wfj n THR 71 Cb 0.48 0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.13 0.57 0.02 -0.78 -1.05 -1.26 0.17 118.70 116.25 1wfj s GLU 72 Ca 0.00 0.78 -0.10 0.00 -0.15 0.00 0.00 54.97 55.50 1wfj s GLU 72 Cb 0.00 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.86 1wfj s GLU 72 CO 0.00 -0.10 0.35 -1.17 0.95 0.00 0.00 175.26 175.29 1wfj s LEU 73 N 0.63 4.39 -0.27 1.83 2.96 1.01 -4.87 118.68 124.36 1wfj s LEU 73 Ca -0.03 0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1wfj s LEU 73 Cb -0.05 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1wfj s LEU 73 CO -0.04 0.26 0.12 -0.54 -1.32 0.00 0.00 176.35 174.82 1wfj s LYS 74 N -1.55 3.65 -0.42 1.98 3.01 -1.15 -0.63 119.74 124.63 1wfj s LYS 74 Ca 0.27 -0.50 -0.05 0.00 -1.01 0.00 0.00 55.97 54.69 1wfj s LYS 74 Cb -0.14 -3.46 0.11 0.00 -1.01 0.00 0.00 37.83 33.33 1wfj s LYS 74 CO 0.15 -0.24 0.24 0.00 0.51 0.00 0.00 175.35 176.01 1wfj s ALA 75 N 1.65 3.22 -0.28 5.17 0.00 -0.74 -1.98 121.76 128.80 1wfj s ALA 75 Ca 0.06 -2.52 -0.11 0.00 0.00 0.00 0.00 51.96 49.39 1wfj s ALA 75 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1wfj s ALA 75 CO 0.06 -1.82 0.20 0.15 0.00 0.00 0.00 175.76 174.35 1wfj s LYS 76 N 1.21 3.96 -0.01 0.00 1.02 -1.24 -0.00 119.74 124.67 1wfj s LYS 76 Ca 0.07 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 55.56 1wfj s LYS 76 Cb -0.24 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.37 1wfj s LYS 76 CO -0.03 -0.17 0.62 0.42 -0.92 0.00 0.00 175.35 175.27 1wfj s ILE 77 N 1.73 4.92 0.00 2.17 1.09 0.43 -2.27 121.20 129.27 1wfj s ILE 77 Ca 0.08 1.30 0.00 0.00 -1.10 0.00 0.00 60.65 60.93 1wfj s ILE 77 Cb -0.16 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 1wfj s ILE 77 CO 0.10 0.39 0.00 0.49 -0.10 0.00 0.00 174.94 175.82 1wfj n PHE 78 N 2.92 0.00 -3.70 3.97 3.72 -0.43 0.11 117.46 124.04 1wfj n PHE 78 Ca -0.06 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.23 1wfj n PHE 78 Cb 0.51 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.94 1wfj n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wfj s ASP 79 N 1.00 -0.44 0.62 4.37 1.01 -1.26 -2.53 116.67 119.44 1wfj s ASP 79 Ca 0.00 0.79 0.24 0.00 0.71 0.00 0.00 52.55 54.29 1wfj s ASP 79 Cb 0.00 0.68 1.09 0.00 1.01 0.00 0.00 42.92 45.69 1wfj s ASP 79 CO 0.00 -0.19 1.56 0.07 0.21 0.00 0.00 175.17 176.82 1wfj h LYS 80 N 7.17 0.00 0.09 8.23 2.10 -1.24 1.60 116.57 134.52 1wfj h LYS 80 Ca -0.37 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.07 1wfj h LYS 80 Cb 1.17 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1wfj h LYS 80 CO 0.31 0.00 -0.85 -0.44 -2.00 0.00 0.00 179.45 176.48 1wfj h ASP 81 N 0.00 0.59 0.00 7.07 3.32 -1.95 -3.45 116.42 122.00 1wfj h ASP 81 Ca 0.25 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1wfj h ASP 81 Cb 1.84 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.20 1wfj h ASP 81 CO -0.00 1.39 0.00 1.33 -1.72 0.00 0.00 179.24 180.24 1wfj n VAL 82 N -4.08 0.00 -3.53 -1.35 0.24 0.55 -5.12 118.33 105.04 1wfj n VAL 82 Ca -0.13 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1wfj n VAL 82 Cb 0.81 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.14 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 0.00 -0.44 0.07 7.63 0.00 -1.25 -4.84 107.32 108.49 1wfj s GLY 83 Ca 0.00 1.41 -0.14 0.00 0.00 0.00 0.00 44.72 45.99 1wfj s GLY 83 CO 0.00 0.74 1.20 -1.30 0.00 0.00 0.00 173.10 173.74 1wfj n THR 84 N 0.41 -0.31 0.13 0.90 -2.24 -1.26 -1.84 114.28 110.07 1wfj n THR 84 Ca -0.13 1.85 -0.13 0.00 -2.27 0.00 0.00 64.05 63.37 1wfj n THR 84 Cb 0.59 -2.36 -0.08 0.00 -2.10 0.00 0.00 70.33 66.39 1wfj n THR 84 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1wfj h GLU 85 N 0.00 -0.33 0.00 -0.78 4.11 -2.03 -3.34 114.58 112.21 1wfj h GLU 85 Ca 0.07 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1wfj h GLU 85 Cb 0.19 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wfj h GLU 85 CO -0.43 -0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.40 1wfj n ASP 86 N -5.09 0.00 -3.64 3.06 8.00 -0.77 -4.70 116.55 113.41 1wfj n ASP 86 Ca -0.09 0.12 -0.06 0.00 0.71 0.00 0.00 54.79 55.46 1wfj n ASP 86 Cb 0.25 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.81 -0.29 -0.19 -2.24 1.01 -0.82 -4.96 116.67 108.37 1wfj s ASP 87 Ca 0.00 0.55 -0.08 0.00 0.71 0.00 0.00 52.55 53.73 1wfj s ASP 87 Cb 0.00 0.58 -0.04 0.00 1.01 0.00 0.00 42.92 44.47 1wfj s ASP 87 CO 0.00 -0.09 0.07 0.00 0.21 0.00 0.00 175.17 175.35 1wfj s ALA 88 N 0.19 3.39 0.64 5.23 0.00 -1.26 -4.33 121.76 125.62 1wfj s ALA 88 Ca 0.04 -0.79 0.27 0.00 0.00 0.00 0.00 51.96 51.48 1wfj s ALA 88 Cb -0.05 -1.96 1.44 0.00 0.00 0.00 0.00 23.12 22.56 1wfj s ALA 88 CO -0.10 0.09 1.83 -0.39 0.00 0.00 0.00 175.76 177.19 1wfj h VAL 89 N 4.95 0.13 0.00 0.00 -1.51 0.47 -3.45 116.25 116.83 1wfj h VAL 89 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1wfj h VAL 89 Cb 1.17 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1wfj h VAL 89 CO 0.69 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 1wfj n GLY 90 N -1.35 -1.68 3.62 5.19 0.00 -0.94 -4.75 105.19 105.28 1wfj n GLY 90 Ca 0.02 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.69 1.58 0.04 1.61 4.04 0.51 0.16 118.70 124.96 1wfj s GLU 91 Ca 0.00 -1.23 -0.15 0.00 0.04 0.00 0.00 54.97 53.63 1wfj s GLU 91 Cb 0.00 0.49 0.02 0.00 0.02 0.00 0.00 34.13 34.66 1wfj s GLU 91 CO 0.00 -0.67 0.33 0.00 -1.84 0.00 0.00 175.26 173.09 1wfj s ALA 92 N -3.99 -0.77 -0.31 -0.84 0.00 1.00 0.22 121.76 117.06 1wfj s ALA 92 Ca 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1wfj s ALA 92 Cb -0.01 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1wfj s ALA 92 CO 0.09 -0.42 0.06 0.99 0.00 0.00 0.00 175.76 176.48 1wfj s THR 93 N -2.52 3.59 -0.45 0.00 2.01 -1.26 -1.80 115.64 115.22 1wfj s THR 93 Ca -0.05 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 60.82 1wfj s THR 93 Cb -0.01 -2.97 0.11 0.00 0.01 0.00 0.00 72.50 69.65 1wfj s THR 93 CO -0.03 -0.06 0.30 -0.63 -0.69 0.00 0.00 174.62 173.51 1wfj s ILE 94 N 1.39 3.92 0.16 1.82 1.01 0.20 -4.92 121.20 124.78 1wfj s ILE 94 Ca -0.01 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.49 1wfj s ILE 94 Cb -0.19 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1wfj s ILE 94 CO 0.01 -0.74 1.13 -2.16 0.00 0.00 0.00 174.94 173.18 1wfj s PRO 95 N 1.30 4.56 -0.11 2.79 0.04 -1.26 0.33 135.00 142.64 1wfj s PRO 95 Ca 0.06 1.75 0.16 0.00 0.04 0.00 0.00 61.00 63.01 1wfj s PRO 95 Cb -0.25 -3.28 0.66 0.00 0.04 0.00 0.00 34.50 31.66 1wfj s PRO 95 CO -0.02 0.00 1.55 1.28 0.04 0.00 0.00 177.00 179.85 1wfj n LEU 96 N 2.60 4.39 0.08 -3.56 4.77 0.45 -4.15 117.00 121.58 1wfj n LEU 96 Ca 0.04 -2.22 -0.07 0.00 -0.03 0.00 0.00 56.01 53.73 1wfj n LEU 96 Cb 0.46 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1wfj n LEU 96 CO 0.54 0.73 0.35 -0.08 -1.33 0.00 0.00 177.39 177.60 1wfj h GLU 97 N 3.68 0.23 0.00 3.23 4.81 -1.88 0.17 114.58 124.82 1wfj h GLU 97 Ca 0.00 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1wfj h GLU 97 Cb 1.36 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1wfj h GLU 97 CO 0.23 0.88 -0.41 -1.00 -0.73 0.00 0.00 179.01 177.97 1wfj h PRO 98 N 0.15 0.00 0.00 0.92 0.13 -1.91 -2.92 132.00 128.36 1wfj h PRO 98 Ca -0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.93 1wfj h PRO 98 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1wfj h PRO 98 CO 0.12 0.41 -1.53 1.33 -0.23 0.00 0.00 178.00 178.10 1wfj n VAL 99 N -3.40 1.14 0.07 1.56 0.24 -1.16 -1.88 118.33 114.91 1wfj n VAL 99 Ca 0.01 -0.70 -0.01 0.00 -2.04 0.00 0.00 64.34 61.60 1wfj n VAL 99 Cb 0.59 -0.68 0.28 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.35 0.00 6.34 -1.00 -0.56 1.36 116.94 123.43 1wfj h PHE 100 Ca -0.19 -0.06 -0.31 0.00 2.81 0.00 0.00 57.97 60.22 1wfj h PHE 100 Cb 1.61 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 41.03 1wfj h PHE 100 CO 0.00 0.54 -1.77 1.33 -1.61 0.00 0.00 178.31 176.81 1wfj n VAL 101 N -4.16 1.52 -0.13 -0.55 0.24 -1.11 -4.47 118.33 109.68 1wfj n VAL 101 Ca -0.01 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1wfj n VAL 101 Cb 0.37 -2.01 -0.02 0.00 -1.47 0.00 0.00 33.84 30.70 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 -1.00 0.66 0.00 7.34 4.39 -1.45 -3.47 114.58 121.06 1wfj h GLU 102 Ca -0.46 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.02 1wfj h GLU 102 Cb 1.37 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1wfj h GLU 102 CO -0.28 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 1wfj n GLY 103 N -0.32 0.89 3.63 -3.84 0.00 0.47 -4.99 105.19 101.02 1wfj n GLY 103 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.14 -0.62 -0.01 1.61 1.04 -1.24 -2.36 113.70 109.98 1wfj s SER 104 Ca 0.00 0.97 0.04 0.00 0.48 0.00 0.00 55.95 57.45 1wfj s SER 104 Cb 0.00 1.30 -0.01 0.00 0.10 0.00 0.00 66.02 67.41 1wfj s SER 104 CO 0.00 -0.15 -0.14 -0.63 0.98 0.00 0.00 173.24 173.30 1wfj s ILE 105 N 1.50 1.11 0.91 -1.02 -1.09 0.60 -4.87 121.20 118.35 1wfj s ILE 105 Ca -0.09 -0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 57.59 1wfj s ILE 105 Cb -0.04 -0.93 0.14 0.00 -1.58 0.00 0.00 42.46 40.05 1wfj s ILE 105 CO -0.16 0.30 1.14 -2.16 -1.23 0.00 0.00 174.94 172.82 1wfj s PRO 106 N -0.37 1.15 -0.44 2.79 0.04 -1.26 -2.16 135.00 134.76 1wfj s PRO 106 Ca 0.05 0.29 -0.29 0.00 0.04 0.00 0.00 61.00 61.09 1wfj s PRO 106 Cb -0.06 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1wfj s PRO 106 CO -0.00 -2.19 1.42 -1.25 0.04 0.00 0.00 177.00 175.02 1wfj s PRO 107 N -5.28 3.51 0.01 0.56 0.04 -1.25 -4.29 135.00 128.29 1wfj s PRO 107 Ca 0.64 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1wfj s PRO 107 Cb -0.15 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 1wfj s PRO 107 CO 0.53 -1.65 -0.14 0.99 0.04 0.00 0.00 177.00 176.77 1wfj s THR 108 N 5.62 3.12 -0.60 1.26 2.01 -0.84 -4.69 115.64 121.52 1wfj s THR 108 Ca 0.60 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 1wfj s THR 108 Cb -0.13 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1wfj s THR 108 CO 0.31 0.40 1.78 0.00 -0.69 0.00 0.00 174.62 176.43 1wfj s ALA 109 N -0.91 2.30 -0.02 7.40 0.00 -1.26 -2.39 121.76 126.88 1wfj s ALA 109 Ca 0.15 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 1wfj s ALA 109 Cb -0.11 -4.27 -0.04 0.00 0.00 0.00 0.00 23.12 18.70 1wfj s ALA 109 CO 0.05 -3.71 0.73 0.71 0.00 0.00 0.00 175.76 173.54 1wfj s TYR 110 N 8.48 3.64 0.06 0.00 2.02 0.42 -4.63 117.35 127.34 1wfj s TYR 110 Ca 0.64 1.34 -0.36 0.00 -0.37 0.00 0.00 57.07 58.32 1wfj s TYR 110 Cb -0.13 -2.81 -0.16 0.00 -0.40 0.00 0.00 41.96 38.47 1wfj s TYR 110 CO 0.21 0.17 1.47 0.09 -1.57 0.00 0.00 175.55 175.91 1wfj n ASN 111 N 3.38 2.18 -4.23 2.29 4.13 -1.26 0.10 115.26 121.85 1wfj n ASN 111 Ca -0.02 1.10 -0.36 0.00 1.68 0.00 0.00 54.58 56.98 1wfj n ASN 111 Cb 0.51 -1.26 -0.13 0.00 -1.54 0.00 0.00 39.78 37.36 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 1.04 3.36 0.36 2.41 1.01 0.21 -4.27 120.40 124.52 1wfj s VAL 112 Ca 0.85 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1wfj s VAL 112 Cb -0.88 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1wfj s VAL 112 CO 0.46 -0.05 0.23 0.68 0.00 0.00 0.00 175.10 176.43 1wfj s VAL 113 N 1.35 3.00 -0.32 2.92 -7.23 0.13 0.72 120.40 120.98 1wfj s VAL 113 Ca -0.02 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1wfj s VAL 113 Cb -0.19 -3.04 0.13 0.00 0.56 0.00 0.00 36.38 33.84 1wfj s VAL 113 CO 0.00 -0.12 0.25 -0.75 -0.31 0.00 0.00 175.10 174.17 1wfj s LYS 114 N -3.95 0.39 0.00 4.82 2.36 0.30 0.19 119.74 123.85 1wfj s LYS 114 Ca 0.41 -0.63 0.00 0.00 -2.55 0.00 0.00 55.97 53.20 1wfj s LYS 114 Cb -0.03 -0.93 0.00 0.00 -1.05 0.00 0.00 37.83 35.82 1wfj s LYS 114 CO 0.25 -1.10 0.00 -3.47 1.55 0.00 0.00 175.35 172.58 1wfj n ASP 115 N 4.83 0.00 0.00 1.43 2.03 -1.26 -3.04 116.55 120.54 1wfj n ASP 115 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1wfj n ASP 115 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.57 0.00 -3.08 -0.67 0.28 -1.26 -5.14 120.64 110.20 1wfj n GLU 116 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1wfj n GLU 116 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 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 3.84 -0.27 3.44 0.41 -1.17 -5.00 118.70 119.95 1wfj s GLU 117 Ca 0.00 0.46 -0.20 0.00 -0.41 0.00 0.00 54.97 54.82 1wfj s GLU 117 Cb 0.00 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 29.87 1wfj s GLU 117 CO 0.00 0.10 0.62 -0.47 -0.49 0.00 0.00 175.26 175.02 1wfj s TYR 118 N -2.14 3.26 -0.19 1.61 5.04 -1.26 0.11 117.35 123.78 1wfj s TYR 118 Ca 0.51 0.74 -0.16 0.00 -2.44 0.00 0.00 57.07 55.72 1wfj s TYR 118 Cb -0.10 -2.87 -0.21 0.00 0.35 0.00 0.00 41.96 39.12 1wfj s TYR 118 CO 0.25 -0.37 0.22 1.63 -1.34 0.00 0.00 175.55 175.94 1wfj n LYS 119 N 5.75 0.63 0.00 4.97 4.76 0.22 -4.95 118.16 129.54 1wfj n LYS 119 Ca -0.01 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 1wfj n LYS 119 Cb 0.49 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1wfj n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfj n GLY 120 N 1.62 0.87 3.08 0.72 0.00 -0.83 -3.25 105.19 107.40 1wfj n GLY 120 Ca -0.34 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 4.58 0.55 -0.11 1.61 -1.05 0.20 0.64 118.70 125.12 1wfj s GLU 121 Ca 0.00 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 1wfj s GLU 121 Cb 0.00 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 1wfj s GLU 121 CO 0.00 -0.11 -0.10 -1.50 0.95 0.00 0.00 175.26 174.50 1wfj s ILE 122 N -3.10 1.18 -0.32 1.83 2.07 0.29 -0.84 121.20 122.30 1wfj s ILE 122 Ca -0.01 -0.40 -0.24 0.00 -1.41 0.00 0.00 60.65 58.59 1wfj s ILE 122 Cb 0.02 -1.15 0.00 0.00 0.13 0.00 0.00 42.46 41.47 1wfj s ILE 122 CO -0.07 0.39 0.82 0.26 -1.91 0.00 0.00 174.94 174.43 1wfj s TRP 123 N 1.46 3.18 -0.02 3.50 0.52 0.42 0.16 118.94 128.16 1wfj s TRP 123 Ca 0.01 0.82 -0.03 0.00 0.02 0.00 0.00 56.10 56.92 1wfj s TRP 123 Cb -0.13 -3.31 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1wfj s TRP 123 CO -0.07 -0.62 0.07 0.08 0.02 0.00 0.00 176.95 176.44 1wfj s VAL 124 N 3.07 0.04 -0.04 4.03 1.01 -1.00 -2.44 120.40 125.06 1wfj s VAL 124 Ca 0.34 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1wfj s VAL 124 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1wfj s VAL 124 CO 0.14 -0.16 -0.19 0.00 0.00 0.00 0.00 175.10 174.89 1wfj s ALA 125 N -0.49 1.65 0.25 5.51 0.00 -0.97 -1.98 121.76 125.73 1wfj s ALA 125 Ca -0.06 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1wfj s ALA 125 Cb -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1wfj s ALA 125 CO 0.00 0.33 0.08 -0.51 0.00 0.00 0.00 175.76 175.66 1wfj s LEU 126 N -0.10 3.47 -0.44 0.00 1.43 -0.92 0.45 118.68 122.57 1wfj s LEU 126 Ca -0.01 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1wfj s LEU 126 Cb -0.11 -2.02 0.22 0.00 0.03 0.00 0.00 46.19 44.32 1wfj s LEU 126 CO 0.02 -0.00 0.63 -1.20 0.23 0.00 0.00 176.35 176.02 1wfj n SER 127 N -0.92 -1.43 -4.50 2.29 7.64 0.15 -0.29 113.62 116.57 1wfj n SER 127 Ca -0.07 -2.85 -0.38 0.00 1.01 0.00 0.00 58.87 56.58 1wfj n SER 127 Cb 0.58 0.48 0.04 0.00 -1.01 0.00 0.00 64.21 64.30 1wfj n SER 127 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1wfj n PHE 128 N 1.98 -0.31 -3.65 1.43 7.35 -0.99 -3.32 117.46 119.94 1wfj n PHE 128 Ca 0.19 0.45 -0.29 0.00 -0.76 0.00 0.00 57.45 57.03 1wfj n PHE 128 Cb 0.55 -2.00 -0.13 0.00 0.35 0.00 0.00 39.48 38.25 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 -2.20 0.98 0.27 -4.13 1.02 0.36 -4.64 119.74 111.40 1wfj s LYS 129 Ca 0.70 -1.63 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 1wfj s LYS 129 Cb -0.45 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1wfj s LYS 129 CO 0.53 -1.13 1.08 -1.25 -0.92 0.00 0.00 175.35 173.66 1wfj s PRO 130 N 0.81 4.66 -0.97 -1.68 0.04 -1.26 0.48 135.00 137.09 1wfj s PRO 130 Ca 0.16 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.73 1wfj s PRO 130 Cb -0.23 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1wfj s PRO 130 CO -0.05 0.24 1.93 -1.54 0.04 0.00 0.00 177.00 177.62 1wfj s SER 131 N -0.88 5.17 0.00 6.66 1.04 -1.24 -4.80 113.70 119.65 1wfj s SER 131 Ca 0.44 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1wfj s SER 131 Cb -0.31 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.24 1wfj s SER 131 CO 0.40 -2.77 0.00 0.61 0.98 0.00 0.00 173.24 172.46 1wfj n GLY 132 N 6.62 5.38 3.64 7.32 0.00 -1.26 -5.07 105.19 121.83 1wfj n GLY 132 Ca 0.41 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 3.80 4.05 0.24 1.61 0.04 -1.26 -4.97 135.00 138.51 1wfj s PRO 133 Ca 0.00 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.30 1wfj s PRO 133 Cb 0.00 -3.84 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1wfj s PRO 133 CO 0.00 -0.94 0.67 -1.54 0.04 0.00 0.00 177.00 175.23 1wfj s SER 134 N 2.53 -0.37 0.02 6.66 1.04 -1.26 -5.08 113.70 117.24 1wfj s SER 134 Ca 0.57 -0.39 -0.28 0.00 0.48 0.00 0.00 55.95 56.33 1wfj s SER 134 Cb -0.20 0.68 -0.16 0.00 0.10 0.00 0.00 66.02 66.45 1wfj s SER 134 CO 0.20 -1.21 1.17 -1.28 0.98 0.00 0.00 173.24 173.10 1wfj h SER 135 N 2.00 -0.86 0.00 7.02 0.87 -2.05 -3.56 113.55 116.97 1wfj h SER 135 Ca -0.24 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1wfj h SER 135 Cb 1.27 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1wfj h SER 135 CO 0.29 -0.49 0.00 0.61 -0.53 0.00 0.00 176.83 176.70