#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfj n SER 2 N 0.00 -9.01 -4.54 1.61 7.64 -1.26 -5.00 113.62 103.07 1wfj n SER 2 Ca 0.00 1.27 -0.31 0.00 1.01 0.00 0.00 58.87 60.84 1wfj n SER 2 Cb 0.00 -4.73 -0.11 0.00 -1.01 0.00 0.00 64.21 58.36 1wfj n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfj s SER 3 N -2.13 4.26 0.79 6.43 0.01 -1.26 -5.09 113.70 116.71 1wfj s SER 3 Ca 0.00 -0.29 -0.17 0.00 1.31 0.00 0.00 55.95 56.80 1wfj s SER 3 Cb 0.00 -0.86 -0.13 0.00 0.21 0.00 0.00 66.02 65.24 1wfj s SER 3 CO 0.00 0.26 -0.37 0.61 0.41 0.00 0.00 173.24 174.15 1wfj n GLY 4 N 1.47 -3.70 3.06 3.44 0.00 -1.26 -4.99 105.19 103.20 1wfj n GLY 4 Ca -0.15 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1wfj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfj s SER 5 N -1.10 -0.78 0.47 1.61 0.01 -1.26 -5.13 113.70 107.52 1wfj s SER 5 Ca 0.49 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1wfj s SER 5 Cb -0.31 1.63 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1wfj s SER 5 CO 0.74 -0.29 0.00 -1.20 0.41 0.00 0.00 173.24 172.89 1wfj n SER 6 N 5.16 -7.63 0.00 2.44 7.64 -1.26 -4.95 113.62 115.02 1wfj n SER 6 Ca 0.05 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1wfj n SER 6 Cb 0.52 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 1wfj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfj n GLY 7 N -4.12 -2.48 0.00 0.23 0.00 -1.26 -4.81 105.19 92.75 1wfj n GLY 7 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.53 -0.45 0.00 1.61 -0.04 -1.26 -5.06 135.00 129.28 1wfj n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wfj n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wfj n PRO 8 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wfj n HIS 9 N -2.18 0.00 0.00 0.54 1.44 -1.26 -4.61 115.22 109.15 1wfj n HIS 9 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1wfj n HIS 9 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1wfj n HIS 9 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wfj n GLY 10 N 0.00 -0.64 3.55 -1.39 0.00 -1.20 -3.92 105.19 101.60 1wfj n GLY 10 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 3.37 0.02 2.61 2.01 -0.71 -1.94 115.64 116.99 1wfj s THR 11 Ca 0.00 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.09 1wfj s THR 11 Cb 0.00 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1wfj s THR 11 CO 0.00 0.33 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.88 1wfj s LEU 12 N -1.56 2.71 -0.15 4.42 1.98 -1.07 -0.41 118.68 124.60 1wfj s LEU 12 Ca 0.17 -0.34 0.02 0.00 -2.89 0.00 0.00 54.13 51.10 1wfj s LEU 12 Cb -0.11 -1.57 0.01 0.00 0.66 0.00 0.00 46.19 45.18 1wfj s LEU 12 CO 0.08 0.28 -0.21 -0.70 -1.89 0.00 0.00 176.35 173.91 1wfj s GLU 13 N -1.27 2.91 -0.28 1.98 2.12 -0.71 -1.53 118.70 121.91 1wfj s GLU 13 Ca 0.14 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 1wfj s GLU 13 Cb -0.11 -2.40 0.04 0.00 0.26 0.00 0.00 34.13 31.93 1wfj s GLU 13 CO 0.05 -0.07 -0.03 0.08 -0.54 0.00 0.00 175.26 174.75 1wfj s VAL 14 N 0.96 2.88 -0.80 3.70 1.01 0.18 -1.36 120.40 126.96 1wfj s VAL 14 Ca -0.04 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 1wfj s VAL 14 Cb -0.15 -2.61 0.21 0.00 0.00 0.00 0.00 36.38 33.83 1wfj s VAL 14 CO -0.05 -0.02 0.74 -0.69 0.00 0.00 0.00 175.10 175.08 1wfj s VAL 15 N 1.26 5.46 -0.90 2.92 1.01 0.24 0.12 120.40 130.50 1wfj s VAL 15 Ca -0.04 -2.48 -0.24 0.00 0.00 0.00 0.00 61.98 59.21 1wfj s VAL 15 Cb -0.19 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1wfj s VAL 15 CO -0.02 -1.01 1.79 -0.22 0.00 0.00 0.00 175.10 175.64 1wfj s LEU 16 N 0.18 3.26 0.00 3.92 2.96 -1.05 -0.67 118.68 127.29 1wfj s LEU 16 Ca 0.17 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1wfj s LEU 16 Cb -0.11 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.02 1wfj s LEU 16 CO -0.08 -2.38 0.08 0.52 -1.32 0.00 0.00 176.35 173.18 1wfj n VAL 17 N 7.53 0.00 -3.70 1.68 0.31 -0.98 0.60 118.33 123.77 1wfj n VAL 17 Ca 0.36 0.36 -0.08 0.00 -0.01 0.00 0.00 64.34 64.97 1wfj n VAL 17 Cb 0.48 -0.90 -0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -0.15 -1.19 -4.06 4.52 3.41 -1.04 0.12 113.62 115.23 1wfj n SER 18 Ca 0.00 -2.13 -0.08 0.00 -0.26 0.00 0.00 58.87 56.40 1wfj n SER 18 Cb 0.00 2.07 -0.10 0.00 -0.26 0.00 0.00 64.21 65.91 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 -2.03 0.39 0.04 7.33 0.00 -0.15 0.16 121.76 127.49 1wfj s ALA 19 Ca 0.15 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1wfj s ALA 19 Cb -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1wfj s ALA 19 CO 0.11 -0.31 -0.10 0.15 0.00 0.00 0.00 175.76 175.60 1wfj s LYS 20 N -3.24 0.69 0.24 0.00 3.01 -0.53 -3.12 119.74 116.79 1wfj s LYS 20 Ca 0.01 -0.69 0.09 0.00 -1.01 0.00 0.00 55.97 54.37 1wfj s LYS 20 Cb 0.03 -0.61 -0.04 0.00 -1.01 0.00 0.00 37.83 36.20 1wfj s LYS 20 CO -0.08 0.14 -0.03 0.20 0.51 0.00 0.00 175.35 176.10 1wfj s GLY 21 N -1.21 1.68 0.00 -3.33 0.00 -1.12 -1.54 107.32 101.80 1wfj s GLY 21 Ca -0.03 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1wfj s GLY 21 CO 0.01 -1.64 0.00 1.04 0.00 0.00 0.00 173.10 172.51 1wfj n LEU 22 N -0.60 0.00 -0.07 0.66 7.99 -1.19 -4.96 117.00 118.82 1wfj n LEU 22 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.89 1wfj n LEU 22 Cb 0.58 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.73 1wfj n LEU 22 CO 0.39 -1.40 -1.03 -1.84 -1.51 0.00 0.00 177.39 172.01 1wfj n GLU 23 N -1.74 0.71 -2.83 3.23 0.28 -1.26 -4.52 120.64 114.51 1wfj n GLU 23 Ca 0.00 -0.07 -0.26 0.00 -0.16 0.00 0.00 57.16 56.68 1wfj n GLU 23 Cb 0.00 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.33 1wfj n GLU 23 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wfj n ASP 24 N -2.58 4.14 -3.67 -1.84 8.00 -1.26 -4.99 116.55 114.34 1wfj n ASP 24 Ca -0.24 -3.61 -0.12 0.00 0.71 0.00 0.00 54.79 51.54 1wfj n ASP 24 Cb 0.97 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 41.41 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 -3.40 -0.72 -0.97 2.24 0.00 -1.26 -5.04 121.76 112.61 1wfj s ALA 25 Ca 0.47 1.11 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 1wfj s ALA 25 Cb 0.32 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 1wfj s ALA 25 CO -0.14 -0.59 2.16 -3.47 0.00 0.00 0.00 175.76 173.72 1wfj n ASP 26 N 5.15 4.92 -4.08 0.00 2.03 -1.26 -4.74 116.55 118.57 1wfj n ASP 26 Ca -0.10 -2.40 -0.31 0.00 0.52 0.00 0.00 54.79 52.50 1wfj n ASP 26 Cb 0.50 -1.15 -0.16 0.00 -0.72 0.00 0.00 41.12 39.59 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 3.50 2.35 -0.42 -0.67 5.36 -1.26 -4.84 117.98 122.00 1wfj s PHE 27 Ca 0.44 -1.24 -0.08 0.00 -0.96 0.00 0.00 56.93 55.09 1wfj s PHE 27 Cb 0.11 -1.66 0.01 0.00 -0.34 0.00 0.00 43.02 41.14 1wfj s PHE 27 CO -0.02 -0.63 0.49 1.28 -1.46 0.00 0.00 175.22 174.89 1wfj n LEU 28 N 4.41 -6.26 -3.65 6.12 4.32 -1.26 -4.72 117.00 115.96 1wfj n LEU 28 Ca -0.19 0.24 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 1wfj n LEU 28 Cb 0.51 -2.83 -0.07 0.00 -1.62 0.00 0.00 43.42 39.41 1wfj n LEU 28 CO 0.24 -1.46 0.23 0.21 -1.22 0.00 0.00 177.39 175.39 1wfj s ASN 29 N -2.44 -0.88 -1.30 -1.43 3.84 -1.24 -3.16 114.94 108.33 1wfj s ASN 29 Ca 0.12 1.40 -0.00 0.00 0.21 0.00 0.00 52.86 54.58 1wfj s ASN 29 Cb -0.03 1.70 0.00 0.00 -0.55 0.00 0.00 41.25 42.37 1wfj s ASN 29 CO 0.59 -0.23 0.74 -3.20 -2.79 0.00 0.00 177.10 172.22 1wfj n ASN 30 N 4.96 -1.35 -2.71 -4.21 5.15 -1.26 -4.96 115.26 110.88 1wfj n ASN 30 Ca -0.15 -0.79 -0.08 0.00 -0.60 0.00 0.00 54.58 52.96 1wfj n ASN 30 Cb 0.53 -4.20 0.03 0.00 -0.53 0.00 0.00 39.78 35.61 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1wfj n MET 31 N -4.26 1.01 -3.31 1.20 0.00 -1.26 -5.11 117.12 105.39 1wfj n MET 31 Ca -0.29 -2.00 -0.25 0.00 0.00 0.00 0.00 57.70 55.16 1wfj n MET 31 Cb 0.67 2.51 -0.08 0.00 0.00 0.00 0.00 33.22 36.32 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 -1.47 0.31 -4.79 3.17 8.00 -1.26 -4.49 116.55 116.02 1wfj n ASP 32 Ca -0.08 -2.65 -0.29 0.00 0.71 0.00 0.00 54.79 52.49 1wfj n ASP 32 Cb 0.55 -0.61 0.13 0.00 -0.02 0.00 0.00 41.12 41.17 1wfj n ASP 32 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wfj s PRO 33 N -0.83 1.23 -0.11 -0.24 0.04 -1.26 -1.38 135.00 132.46 1wfj s PRO 33 Ca 0.34 0.32 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 1wfj s PRO 33 Cb 0.11 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.85 1wfj s PRO 33 CO -0.14 -2.14 0.45 1.52 0.04 0.00 0.00 177.00 176.73 1wfj s TYR 34 N -3.27 -0.43 0.09 0.56 -0.85 0.21 -0.71 117.35 112.95 1wfj s TYR 34 Ca 0.63 0.93 -0.17 0.00 -0.52 0.00 0.00 57.07 57.94 1wfj s TYR 34 Cb -0.15 0.19 -0.07 0.00 0.38 0.00 0.00 41.96 42.31 1wfj s TYR 34 CO 0.53 -0.35 0.54 0.08 -1.52 0.00 0.00 175.55 174.84 1wfj s VAL 35 N -0.47 4.81 -0.41 -3.49 1.01 -1.26 -1.33 120.40 119.27 1wfj s VAL 35 Ca -0.06 1.04 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1wfj s VAL 35 Cb -0.03 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.64 1wfj s VAL 35 CO 0.03 0.44 0.14 -1.58 0.00 0.00 0.00 175.10 174.14 1wfj s GLN 36 N -1.42 1.54 -0.09 2.72 0.74 -1.03 -2.17 119.66 119.95 1wfj s GLN 36 Ca 0.32 -2.05 -0.29 0.00 0.05 0.00 0.00 55.36 53.38 1wfj s GLN 36 Cb -0.18 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 1wfj s GLN 36 CO 0.18 -1.02 1.72 -0.51 -0.55 0.00 0.00 175.29 175.11 1wfj s LEU 37 N 0.52 4.18 -0.07 3.68 1.02 0.19 -3.87 118.68 124.34 1wfj s LEU 37 Ca 0.14 2.12 0.03 0.00 0.02 0.00 0.00 54.13 56.43 1wfj s LEU 37 Cb -0.22 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.44 1wfj s LEU 37 CO -0.06 -1.08 -0.14 -0.89 0.02 0.00 0.00 176.35 174.19 1wfj s THR 38 N 4.63 3.06 -0.23 5.49 2.01 -0.65 0.15 115.64 130.10 1wfj s THR 38 Ca 0.76 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 1wfj s THR 38 Cb -0.32 -2.22 0.09 0.00 0.01 0.00 0.00 72.50 70.05 1wfj s THR 38 CO 0.31 0.57 0.15 0.00 -0.69 0.00 0.00 174.62 174.96 1wfj n ARG 40 N 5.28 0.00 -0.00 0.00 5.12 -1.26 -0.82 116.66 124.98 1wfj n ARG 40 Ca -0.06 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.87 1wfj n ARG 40 Cb 0.47 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.74 1wfj n ARG 40 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1wfj n THR 41 N 0.00 0.03 -3.25 0.55 5.66 -1.26 -4.99 114.28 111.02 1wfj n THR 41 Ca 0.00 -0.07 -0.39 0.00 -3.05 0.00 0.00 64.05 60.54 1wfj n THR 41 Cb 0.00 0.21 -0.06 0.00 -1.55 0.00 0.00 70.33 68.93 1wfj n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wfj s GLN 42 N -2.18 4.23 -0.02 1.09 -2.07 0.00 -5.06 119.66 115.66 1wfj s GLN 42 Ca -0.01 0.44 0.02 0.00 -1.82 0.00 0.00 55.36 53.99 1wfj s GLN 42 Cb 0.02 -3.53 0.00 0.00 -1.09 0.00 0.00 33.01 28.41 1wfj s GLN 42 CO 0.12 -0.08 -0.08 0.16 -1.32 0.00 0.00 175.29 174.08 1wfj s ASP 43 N 1.02 1.13 -0.08 12.60 -4.77 -1.26 0.71 116.67 126.03 1wfj s ASP 43 Ca 0.25 -0.17 -0.00 0.00 -3.30 0.00 0.00 52.55 49.32 1wfj s ASP 43 Cb -0.15 -0.29 0.03 0.00 -1.09 0.00 0.00 42.92 41.41 1wfj s ASP 43 CO 0.10 0.06 -0.04 -1.10 0.70 0.00 0.00 175.17 174.89 1wfj s GLN 44 N 0.19 0.97 0.34 2.11 -0.21 0.39 -4.96 119.66 118.49 1wfj s GLN 44 Ca -0.03 -0.06 0.08 0.00 0.02 0.00 0.00 55.36 55.37 1wfj s GLN 44 Cb -0.08 -1.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 1wfj s GLN 44 CO 0.00 -0.24 0.17 -1.59 -2.12 0.00 0.00 175.29 171.52 1wfj s LYS 45 N 1.64 2.41 0.36 2.91 -2.85 -1.26 -0.63 119.74 122.32 1wfj s LYS 45 Ca 0.01 -1.53 0.08 0.00 -1.00 0.00 0.00 55.97 53.53 1wfj s LYS 45 Cb -0.13 -2.21 -0.04 0.00 -2.06 0.00 0.00 37.83 33.39 1wfj s LYS 45 CO -0.05 0.09 0.21 0.45 0.10 0.00 0.00 175.35 176.16 1wfj s SER 46 N -3.87 4.83 1.01 0.03 0.15 -0.92 -4.96 113.70 109.96 1wfj s SER 46 Ca 0.38 -0.75 -0.14 0.00 0.70 0.00 0.00 55.95 56.14 1wfj s SER 46 Cb -0.03 -0.72 0.16 0.00 -1.71 0.00 0.00 66.02 63.72 1wfj s SER 46 CO 0.23 -0.40 0.28 0.59 1.20 0.00 0.00 173.24 175.15 1wfj n ASN 47 N -1.27 -2.98 -4.86 5.45 4.13 -1.26 -4.57 115.26 109.91 1wfj n ASN 47 Ca -0.02 -0.37 -0.33 0.00 1.68 0.00 0.00 54.58 55.55 1wfj n ASN 47 Cb 0.61 -0.77 -0.06 0.00 -1.54 0.00 0.00 39.78 38.03 1wfj n ASN 47 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1wfj s VAL 48 N -2.08 4.81 -1.20 2.41 -7.23 -1.26 -4.61 120.40 111.24 1wfj s VAL 48 Ca 0.37 0.74 -0.20 0.00 -1.81 0.00 0.00 61.98 61.07 1wfj s VAL 48 Cb -0.06 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.26 1wfj s VAL 48 CO 0.35 -0.04 1.72 0.00 -0.31 0.00 0.00 175.10 176.82 1wfj s ALA 49 N -1.80 2.83 0.14 1.32 0.00 0.11 -4.94 121.76 119.43 1wfj s ALA 49 Ca 0.48 -2.56 -0.31 0.00 0.00 0.00 0.00 51.96 49.56 1wfj s ALA 49 Cb -0.12 -4.62 -0.10 0.00 0.00 0.00 0.00 23.12 18.28 1wfj s ALA 49 CO 0.20 -3.79 1.60 -1.21 0.00 0.00 0.00 175.76 172.55 1wfj s GLU 50 N 4.94 4.21 -0.53 0.00 2.02 -1.26 -3.61 118.70 124.46 1wfj s GLU 50 Ca 0.56 2.37 -0.10 0.00 0.02 0.00 0.00 54.97 57.81 1wfj s GLU 50 Cb 0.02 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1wfj s GLU 50 CO 0.05 -0.64 0.47 0.41 0.02 0.00 0.00 175.26 175.56 1wfj n GLY 51 N 3.82 -0.61 0.02 -1.39 0.00 -1.26 -4.88 105.19 100.89 1wfj n GLY 51 Ca 0.14 0.60 -0.03 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.46 2.41 0.00 1.61 2.81 -1.24 -5.12 117.12 116.13 1wfj n MET 52 Ca -0.19 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1wfj n MET 52 Cb 0.52 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 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 2.89 0.95 1.09 3.03 0.00 -1.26 -3.95 105.19 107.94 1wfj n GLY 53 Ca -0.07 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.84 1wfj n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfj n THR 54 N 0.00 1.35 -3.26 2.61 -2.24 -1.19 -3.73 114.28 107.83 1wfj n THR 54 Ca 0.00 -1.15 -0.24 0.00 -2.27 0.00 0.00 64.05 60.39 1wfj n THR 54 Cb 0.00 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.85 -0.91 -2.43 4.28 -2.24 -1.25 -2.79 114.28 109.78 1wfj n THR 55 Ca 0.20 -3.48 -0.42 0.00 -2.27 0.00 0.00 64.05 58.07 1wfj n THR 55 Cb 0.64 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.39 4.31 -0.11 -0.78 0.04 -1.18 -4.81 135.00 132.08 1wfj s PRO 56 Ca 0.34 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1wfj s PRO 56 Cb 0.10 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 1wfj s PRO 56 CO -0.16 -0.53 -0.21 -2.00 0.04 0.00 0.00 177.00 174.13 1wfj s GLU 57 N 2.61 3.12 -0.15 4.56 2.12 -1.26 -0.98 118.70 128.72 1wfj s GLU 57 Ca 0.56 -0.83 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 1wfj s GLU 57 Cb -0.24 -2.38 -0.06 0.00 0.26 0.00 0.00 34.13 31.71 1wfj s GLU 57 CO 0.20 0.19 -0.20 0.91 -0.54 0.00 0.00 175.26 175.83 1wfj n TRP 58 N 3.51 0.00 -3.48 5.30 8.01 0.32 -4.96 117.44 126.15 1wfj n TRP 58 Ca -0.19 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.79 1wfj n TRP 58 Cb 0.53 -0.54 0.07 0.00 -2.01 0.00 0.00 31.31 29.36 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 -3.69 -5.69 -3.10 -0.99 3.02 0.20 -4.97 115.26 100.04 1wfj n ASN 59 Ca -0.30 -0.49 -0.08 0.00 -0.03 0.00 0.00 54.58 53.68 1wfj n ASN 59 Cb 0.70 -4.60 0.03 0.00 -0.61 0.00 0.00 39.78 35.30 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 -4.52 0.72 -3.70 3.52 -0.58 -0.71 -4.92 120.64 110.44 1wfj n GLU 60 Ca -0.01 -1.17 -0.12 0.00 -0.42 0.00 0.00 57.16 55.44 1wfj n GLU 60 Cb 0.56 -0.14 -0.12 0.00 -0.57 0.00 0.00 31.44 31.17 1wfj n GLU 60 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wfj s THR 61 N -0.56 -0.17 -0.05 2.62 2.01 -1.26 -2.52 115.64 115.72 1wfj s THR 61 Ca 0.24 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.46 1wfj s THR 61 Cb -0.02 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 1wfj s THR 61 CO 0.15 0.07 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.62 1wfj s PHE 62 N 1.65 1.81 0.19 4.92 0.08 0.12 -4.95 117.98 121.80 1wfj s PHE 62 Ca -0.06 -0.56 0.06 0.00 0.12 0.00 0.00 56.93 56.48 1wfj s PHE 62 Cb -0.11 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1wfj s PHE 62 CO -0.10 -0.21 0.12 0.42 -0.10 0.00 0.00 175.22 175.36 1wfj s ILE 63 N 0.12 4.32 0.32 0.64 -1.09 -1.26 0.48 121.20 124.74 1wfj s ILE 63 Ca -0.06 -1.22 -0.01 0.00 -2.23 0.00 0.00 60.65 57.13 1wfj s ILE 63 Cb -0.13 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1wfj s ILE 63 CO 0.03 -0.16 0.43 0.49 -1.23 0.00 0.00 174.94 174.50 1wfj n PHE 64 N -0.48 -1.30 -3.96 3.97 3.72 -0.58 -4.97 117.46 113.86 1wfj n PHE 64 Ca -0.08 -2.20 -0.31 0.00 -0.05 0.00 0.00 57.45 54.81 1wfj n PHE 64 Cb 0.55 0.48 -0.15 0.00 -0.94 0.00 0.00 39.48 39.43 1wfj n PHE 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1wfj s THR 65 N -2.83 1.97 0.44 4.37 2.01 -1.26 -2.61 115.64 117.73 1wfj s THR 65 Ca 0.28 -2.14 -0.16 0.00 0.31 0.00 0.00 61.69 59.98 1wfj s THR 65 Cb -0.01 -2.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.96 1wfj s THR 65 CO 0.20 -0.62 0.89 -0.69 -0.69 0.00 0.00 174.62 173.71 1wfj s VAL 66 N 1.06 4.59 0.00 3.82 1.01 -0.82 -4.99 120.40 125.07 1wfj s VAL 66 Ca 0.11 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1wfj s VAL 66 Cb -0.19 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1wfj s VAL 66 CO -0.12 -0.49 0.00 -1.54 0.00 0.00 0.00 175.10 172.95 1wfj n SER 67 N -1.13 0.00 -3.96 3.32 3.41 -1.26 -3.22 113.62 110.78 1wfj n SER 67 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.57 1wfj n SER 67 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.53 0.00 4.33 -1.05 -1.26 -4.24 118.70 117.01 1wfj s GLU 68 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 1wfj s GLU 68 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1wfj s GLU 68 CO 0.00 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.50 1wfj n GLY 69 N 0.87 1.15 3.55 -3.83 0.00 -1.26 -4.84 105.19 100.84 1wfj n GLY 69 Ca -0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 3.26 -0.15 2.61 2.01 -1.26 -4.69 115.64 117.41 1wfj s THR 70 Ca 0.00 -0.04 0.14 0.00 0.31 0.00 0.00 61.69 62.10 1wfj s THR 70 Cb 0.00 -3.63 0.38 0.00 0.01 0.00 0.00 72.50 69.26 1wfj s THR 70 CO 0.00 -0.60 1.19 0.35 -0.69 0.00 0.00 174.62 174.87 1wfj n THR 71 N 7.82 1.72 -3.51 -0.82 -2.24 -1.26 -4.66 114.28 111.34 1wfj n THR 71 Ca 0.34 -2.59 -0.11 0.00 -2.27 0.00 0.00 64.05 59.42 1wfj n THR 71 Cb 0.50 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1wfj n THR 71 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wfj s GLU 72 N -2.55 0.91 0.05 -0.78 -1.05 -1.26 -0.29 118.70 113.74 1wfj s GLU 72 Ca 0.35 -0.13 0.08 0.00 -0.15 0.00 0.00 54.97 55.11 1wfj s GLU 72 Cb 0.34 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.42 1wfj s GLU 72 CO -0.06 -0.36 -0.21 -1.17 0.95 0.00 0.00 175.26 174.41 1wfj s LEU 73 N -1.99 2.47 -0.22 1.83 2.96 0.82 -4.83 118.68 119.72 1wfj s LEU 73 Ca -0.00 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 1wfj s LEU 73 Cb -0.01 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1wfj s LEU 73 CO -0.04 0.25 0.05 -0.54 -1.32 0.00 0.00 176.35 174.75 1wfj s LYS 74 N -1.42 3.68 -0.32 1.98 3.01 -1.13 -0.62 119.74 124.93 1wfj s LYS 74 Ca 0.14 -0.47 0.02 0.00 -1.01 0.00 0.00 55.97 54.64 1wfj s LYS 74 Cb -0.10 -3.23 0.08 0.00 -1.01 0.00 0.00 37.83 33.57 1wfj s LYS 74 CO 0.04 -0.06 0.02 0.00 0.51 0.00 0.00 175.35 175.86 1wfj s ALA 75 N 1.24 2.82 -0.18 5.17 0.00 -0.87 -1.64 121.76 128.30 1wfj s ALA 75 Ca 0.04 -2.16 -0.05 0.00 0.00 0.00 0.00 51.96 49.79 1wfj s ALA 75 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1wfj s ALA 75 CO 0.03 -1.48 0.01 0.15 0.00 0.00 0.00 175.76 174.47 1wfj s LYS 76 N 1.06 3.74 0.08 0.00 1.02 -1.25 -0.94 119.74 123.45 1wfj s LYS 76 Ca 0.01 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 1wfj s LYS 76 Cb -0.20 -3.08 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1wfj s LYS 76 CO -0.05 0.15 0.68 0.42 -0.92 0.00 0.00 175.35 175.62 1wfj s ILE 77 N 0.65 4.66 -0.05 2.17 1.09 0.88 -2.47 121.20 128.13 1wfj s ILE 77 Ca 0.00 1.45 -0.05 0.00 -1.10 0.00 0.00 60.65 60.96 1wfj s ILE 77 Cb -0.14 -4.02 0.01 0.00 -1.06 0.00 0.00 42.46 37.25 1wfj s ILE 77 CO 0.02 0.48 0.13 -0.36 -0.10 0.00 0.00 174.94 175.11 1wfj s PHE 78 N -0.72 -0.14 1.04 3.97 0.08 -0.44 -1.19 117.98 120.59 1wfj s PHE 78 Ca 0.33 0.35 -0.12 0.00 0.12 0.00 0.00 56.93 57.61 1wfj s PHE 78 Cb -0.20 0.05 0.21 0.00 -0.57 0.00 0.00 43.02 42.51 1wfj s PHE 78 CO 0.22 -0.07 1.07 0.34 -0.10 0.00 0.00 175.22 176.67 1wfj s ASP 79 N 0.06 2.10 0.00 1.36 2.15 -1.26 0.65 116.67 121.72 1wfj s ASP 79 Ca -0.00 1.45 0.21 0.00 0.43 0.00 0.00 52.55 54.64 1wfj s ASP 79 Cb -0.01 -2.15 1.10 0.00 -0.30 0.00 0.00 42.92 41.56 1wfj s ASP 79 CO 0.00 -3.49 1.66 2.29 -0.17 0.00 0.00 175.17 175.46 1wfj n LYS 80 N -4.44 0.38 -2.87 4.34 2.85 -0.48 -3.13 118.16 114.82 1wfj n LYS 80 Ca 0.05 0.07 -0.24 0.00 -1.05 0.00 0.00 58.31 57.14 1wfj n LYS 80 Cb 0.55 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.41 1wfj n LYS 80 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wfj n ASP 81 N -1.22 3.64 -3.70 -5.58 2.03 -1.26 -5.04 116.55 105.42 1wfj n ASP 81 Ca 0.11 -3.50 -0.08 0.00 0.52 0.00 0.00 54.79 51.85 1wfj n ASP 81 Cb 0.14 -0.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.98 1wfj n ASP 81 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wfj s VAL 82 N -4.22 0.00 -0.04 5.18 0.11 -1.18 -5.12 120.40 115.11 1wfj s VAL 82 Ca 0.46 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1wfj s VAL 82 Cb 0.33 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1wfj s VAL 82 CO -0.13 0.00 -0.24 -0.83 -3.33 0.00 0.00 175.10 170.57 1wfj s GLY 83 N -2.85 1.32 0.29 6.54 0.00 -1.26 -4.87 107.32 106.49 1wfj s GLY 83 Ca 0.08 -1.07 0.20 0.00 0.00 0.00 0.00 44.72 43.94 1wfj s GLY 83 CO -0.00 -0.76 1.07 -1.30 0.00 0.00 0.00 173.10 172.11 1wfj n THR 84 N 2.70 -0.21 -2.93 0.90 -2.24 -1.26 0.50 114.28 111.74 1wfj n THR 84 Ca -0.17 1.28 -0.39 0.00 -2.27 0.00 0.00 64.05 62.51 1wfj n THR 84 Cb 0.52 -2.10 -0.00 0.00 -2.10 0.00 0.00 70.33 66.65 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 -4.20 4.44 0.02 -0.78 1.02 -1.26 -4.56 120.64 115.31 1wfj n GLU 85 Ca 0.27 -4.64 0.00 0.00 -0.02 0.00 0.00 57.16 52.77 1wfj n GLU 85 Cb 1.02 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1wfj n GLU 85 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfj n ASP 86 N 0.65 -0.20 -3.43 1.62 -0.08 0.18 -5.14 116.55 110.15 1wfj n ASP 86 Ca 0.34 0.07 0.02 0.00 -1.51 0.00 0.00 54.79 53.71 1wfj n ASP 86 Cb 0.32 0.38 -0.05 0.00 2.34 0.00 0.00 41.12 44.12 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wfj s ASP 87 N -2.93 -0.31 -0.28 1.67 -1.08 -1.25 -5.04 116.67 107.46 1wfj s ASP 87 Ca 0.00 0.45 -0.10 0.00 -0.52 0.00 0.00 52.55 52.38 1wfj s ASP 87 Cb 0.00 1.27 -0.04 0.00 -1.46 0.00 0.00 42.92 42.70 1wfj s ASP 87 CO 0.00 -0.07 0.14 0.00 0.52 0.00 0.00 175.17 175.77 1wfj s ALA 88 N 1.84 3.36 0.57 3.66 0.00 -1.26 -4.70 121.76 125.23 1wfj s ALA 88 Ca -0.04 -1.15 0.44 0.00 0.00 0.00 0.00 51.96 51.21 1wfj s ALA 88 Cb -0.03 -2.33 1.56 0.00 0.00 0.00 0.00 23.12 22.32 1wfj s ALA 88 CO -0.15 -0.59 1.56 -0.39 0.00 0.00 0.00 175.76 176.19 1wfj h VAL 89 N 5.47 0.06 -1.78 0.00 -1.51 -1.54 -3.43 116.25 113.53 1wfj h VAL 89 Ca -0.36 0.00 0.35 0.00 -1.23 0.00 0.00 66.70 65.46 1wfj h VAL 89 Cb 1.18 0.07 -0.09 0.00 -2.13 0.00 0.00 31.29 30.31 1wfj h VAL 89 CO 0.57 0.00 0.90 -0.83 -1.23 0.00 0.00 177.57 176.98 1wfj s GLY 90 N -3.79 -0.26 0.18 5.19 0.00 -1.25 -4.75 107.32 102.64 1wfj s GLY 90 Ca -0.05 0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.92 1wfj s GLY 90 CO 0.80 3.36 0.34 -1.83 0.00 0.00 0.00 173.10 175.77 1wfj s GLU 91 N -2.14 1.25 -0.09 2.90 4.04 0.40 -0.08 118.70 124.97 1wfj s GLU 91 Ca 0.23 -1.17 -0.13 0.00 0.04 0.00 0.00 54.97 53.95 1wfj s GLU 91 Cb 0.02 0.41 0.03 0.00 0.02 0.00 0.00 34.13 34.61 1wfj s GLU 91 CO -0.02 -0.48 0.33 0.00 -1.84 0.00 0.00 175.26 173.24 1wfj s ALA 92 N -3.97 -0.81 -0.32 -0.84 0.00 -0.12 0.07 121.76 115.76 1wfj s ALA 92 Ca 0.18 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 1wfj s ALA 92 Cb 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1wfj s ALA 92 CO 0.02 -0.19 0.32 0.99 0.00 0.00 0.00 175.76 176.90 1wfj s THR 93 N -0.25 5.21 -0.49 0.00 2.01 -1.26 -2.05 115.64 118.81 1wfj s THR 93 Ca -0.04 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1wfj s THR 93 Cb -0.03 -3.75 0.13 0.00 0.01 0.00 0.00 72.50 68.86 1wfj s THR 93 CO 0.02 0.00 0.32 -0.63 -0.69 0.00 0.00 174.62 173.64 1wfj s ILE 94 N 1.94 3.77 0.19 1.82 1.01 0.21 -4.89 121.20 125.25 1wfj s ILE 94 Ca 0.11 -2.16 -0.30 0.00 0.00 0.00 0.00 60.65 58.30 1wfj s ILE 94 Cb -0.16 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 1wfj s ILE 94 CO 0.11 -0.77 1.11 -2.16 0.00 0.00 0.00 174.94 173.24 1wfj s PRO 95 N 0.95 4.58 0.00 2.79 0.04 -1.26 0.29 135.00 142.38 1wfj s PRO 95 Ca 0.09 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.11 1wfj s PRO 95 Cb -0.23 -3.26 0.48 0.00 0.04 0.00 0.00 34.50 31.53 1wfj s PRO 95 CO -0.03 0.06 1.43 1.28 0.04 0.00 0.00 177.00 179.78 1wfj n LEU 96 N 2.29 2.98 -0.30 -3.56 4.77 0.61 -4.22 117.00 119.56 1wfj n LEU 96 Ca 0.03 -1.24 -0.05 0.00 -0.03 0.00 0.00 56.01 54.71 1wfj n LEU 96 Cb 0.46 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1wfj n LEU 96 CO 0.54 0.62 1.12 -0.08 -1.33 0.00 0.00 177.39 178.27 1wfj h GLU 97 N 3.97 1.17 0.00 3.23 4.81 -1.89 0.11 114.58 125.98 1wfj h GLU 97 Ca 0.00 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1wfj h GLU 97 Cb 0.87 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1wfj h GLU 97 CO 0.00 0.88 -0.26 -1.00 -0.73 0.00 0.00 179.01 177.90 1wfj h PRO 98 N 1.15 0.00 -0.01 0.92 0.13 -1.91 -2.31 132.00 129.97 1wfj h PRO 98 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1wfj h PRO 98 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1wfj h PRO 98 CO -0.04 0.26 -0.11 1.55 -0.23 0.00 0.00 178.00 179.43 1wfj n VAL 99 N -3.29 0.00 -0.11 1.56 3.14 -0.75 -2.02 118.33 116.87 1wfj n VAL 99 Ca 0.01 -0.21 -0.13 0.00 -2.96 0.00 0.00 64.34 61.06 1wfj n VAL 99 Cb 0.52 0.50 -0.14 0.00 -1.06 0.00 0.00 33.84 33.67 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 -0.13 0.00 -0.02 1.45 3.72 0.32 -2.60 117.46 120.21 1wfj n PHE 100 Ca 0.16 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1wfj n PHE 100 Cb 0.36 -0.98 -0.14 0.00 -0.94 0.00 0.00 39.48 37.79 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 -2.93 1.55 -0.02 -4.37 0.24 -0.91 -4.30 118.33 107.59 1wfj n VAL 101 Ca -0.37 -0.79 -0.22 0.00 -2.04 0.00 0.00 64.34 60.93 1wfj n VAL 101 Cb 1.08 -0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 32.34 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 0.00 0.19 0.00 7.34 4.39 -1.62 -3.49 114.58 121.39 1wfj h GLU 102 Ca -0.28 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.09 1wfj h GLU 102 Cb 1.98 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1wfj h GLU 102 CO 0.07 1.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.49 1wfj n GLY 103 N 1.81 1.15 3.64 -3.84 0.00 -1.07 -4.99 105.19 101.90 1wfj n GLY 103 Ca -0.32 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1wfj n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfj s SER 104 N -2.05 -0.68 -0.02 1.61 0.01 -1.26 -2.23 113.70 109.08 1wfj s SER 104 Ca 0.00 1.12 0.05 0.00 1.31 0.00 0.00 55.95 58.43 1wfj s SER 104 Cb 0.00 1.26 -0.01 0.00 0.21 0.00 0.00 66.02 67.48 1wfj s SER 104 CO 0.00 -0.18 -0.19 -0.63 0.41 0.00 0.00 173.24 172.65 1wfj s ILE 105 N 1.30 1.49 0.96 1.44 -1.09 0.50 -4.88 121.20 120.93 1wfj s ILE 105 Ca -0.08 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.41 1wfj s ILE 105 Cb -0.04 -1.25 0.17 0.00 -1.58 0.00 0.00 42.46 39.76 1wfj s ILE 105 CO -0.15 0.42 1.16 -2.16 -1.23 0.00 0.00 174.94 172.98 1wfj s PRO 106 N -0.32 0.70 -0.57 2.79 0.04 -1.26 -1.87 135.00 134.51 1wfj s PRO 106 Ca 0.04 0.12 -0.28 0.00 0.04 0.00 0.00 61.00 60.93 1wfj s PRO 106 Cb -0.08 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1wfj s PRO 106 CO 0.00 -2.46 1.51 -1.25 0.04 0.00 0.00 177.00 174.84 1wfj s PRO 107 N -5.40 3.17 0.14 0.56 0.04 -1.26 -4.26 135.00 128.00 1wfj s PRO 107 Ca 0.66 0.48 0.09 0.00 0.04 0.00 0.00 61.00 62.28 1wfj s PRO 107 Cb -0.12 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 1wfj s PRO 107 CO 0.54 -2.09 -0.18 0.99 0.04 0.00 0.00 177.00 176.29 1wfj s THR 108 N 6.62 2.78 -0.44 1.26 2.01 -1.17 -4.79 115.64 121.92 1wfj s THR 108 Ca 0.55 -1.64 -0.24 0.00 0.31 0.00 0.00 61.69 60.67 1wfj s THR 108 Cb -0.12 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1wfj s THR 108 CO 0.24 0.02 0.85 0.00 -0.69 0.00 0.00 174.62 175.05 1wfj s ALA 109 N -1.33 3.30 -0.14 7.40 0.00 -1.25 -1.63 121.76 128.10 1wfj s ALA 109 Ca 0.19 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1wfj s ALA 109 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1wfj s ALA 109 CO 0.11 -1.90 0.66 0.71 0.00 0.00 0.00 175.76 175.34 1wfj s TYR 110 N 3.47 3.47 -0.31 0.00 2.02 0.49 -4.64 117.35 121.85 1wfj s TYR 110 Ca 0.34 1.07 -0.44 0.00 -0.37 0.00 0.00 57.07 57.67 1wfj s TYR 110 Cb -0.11 -2.79 -0.20 0.00 -0.40 0.00 0.00 41.96 38.46 1wfj s TYR 110 CO 0.23 -0.04 1.40 0.27 -1.57 0.00 0.00 175.55 175.84 1wfj n ASN 111 N 4.42 0.75 -4.24 2.29 6.94 -1.26 -0.07 115.26 124.09 1wfj n ASN 111 Ca -0.01 1.17 -0.42 0.00 -0.02 0.00 0.00 54.58 55.30 1wfj n ASN 111 Cb 0.50 -0.89 -0.07 0.00 -2.36 0.00 0.00 39.78 36.96 1wfj n ASN 111 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wfj s VAL 112 N 1.87 4.55 0.36 3.53 1.01 0.12 -4.28 120.40 127.56 1wfj s VAL 112 Ca 0.99 -1.85 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1wfj s VAL 112 Cb -1.41 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 30.99 1wfj s VAL 112 CO 0.72 -0.83 0.34 0.68 0.00 0.00 0.00 175.10 176.02 1wfj s VAL 113 N 1.23 3.35 -0.35 2.92 -7.23 0.11 0.22 120.40 120.65 1wfj s VAL 113 Ca 0.07 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1wfj s VAL 113 Cb -0.25 -3.15 0.14 0.00 0.56 0.00 0.00 36.38 33.68 1wfj s VAL 113 CO -0.01 -0.12 0.25 -0.75 -0.31 0.00 0.00 175.10 174.16 1wfj s LYS 114 N -4.06 0.55 0.00 4.82 2.36 0.30 0.15 119.74 123.85 1wfj s LYS 114 Ca 0.44 -1.16 0.00 0.00 -2.55 0.00 0.00 55.97 52.69 1wfj s LYS 114 Cb -0.06 -1.14 0.00 0.00 -1.05 0.00 0.00 37.83 35.58 1wfj s LYS 114 CO 0.28 -1.20 0.00 -3.47 1.55 0.00 0.00 175.35 172.51 1wfj n ASP 115 N 4.16 0.00 0.00 1.43 -0.08 -1.26 -3.01 116.55 117.79 1wfj n ASP 115 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1wfj n ASP 115 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wfj n GLU 116 N -1.56 0.00 -3.07 -0.67 0.28 -1.26 -5.13 120.64 109.22 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 -0.05 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 4.43 -0.42 3.44 2.02 -1.16 -5.00 118.70 122.00 1wfj s GLU 117 Ca 0.00 0.95 -0.29 0.00 0.02 0.00 0.00 54.97 55.65 1wfj s GLU 117 Cb 0.00 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.91 1wfj s GLU 117 CO 0.00 0.37 1.28 -0.47 0.02 0.00 0.00 175.26 176.46 1wfj s TYR 118 N -0.30 2.62 -0.21 1.61 5.04 -1.26 0.11 117.35 124.96 1wfj s TYR 118 Ca 0.35 0.74 0.19 0.00 -2.44 0.00 0.00 57.07 55.91 1wfj s TYR 118 Cb -0.20 -4.28 0.02 0.00 0.35 0.00 0.00 41.96 37.84 1wfj s TYR 118 CO 0.21 -1.63 1.13 0.87 -1.34 0.00 0.00 175.55 174.80 1wfj h LYS 119 N 9.86 0.00 0.00 4.97 1.79 0.25 -3.48 116.57 129.96 1wfj h LYS 119 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1wfj h LYS 119 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1wfj h LYS 119 CO 1.09 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 180.08 1wfj n GLY 120 N 1.25 -0.15 3.36 3.86 0.00 -0.13 -3.16 105.19 110.21 1wfj n GLY 120 Ca -0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 1.14 -0.10 1.61 -1.05 -0.59 0.12 118.70 119.83 1wfj s GLU 121 Ca 0.00 -0.56 0.01 0.00 -0.15 0.00 0.00 54.97 54.27 1wfj s GLU 121 Cb 0.00 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.22 1wfj s GLU 121 CO 0.00 -0.46 -0.13 -1.50 0.95 0.00 0.00 175.26 174.12 1wfj s ILE 122 N -3.62 1.30 -0.19 1.83 2.07 0.89 -1.45 121.20 122.04 1wfj s ILE 122 Ca 0.01 -0.52 -0.21 0.00 -1.41 0.00 0.00 60.65 58.52 1wfj s ILE 122 Cb 0.01 -1.22 -0.02 0.00 0.13 0.00 0.00 42.46 41.35 1wfj s ILE 122 CO -0.11 0.40 0.65 0.26 -1.91 0.00 0.00 174.94 174.24 1wfj s TRP 123 N 1.09 3.38 -0.22 3.50 0.52 0.41 0.18 118.94 127.81 1wfj s TRP 123 Ca -0.05 0.97 -0.14 0.00 0.02 0.00 0.00 56.10 56.89 1wfj s TRP 123 Cb -0.14 -2.82 0.06 0.00 -1.15 0.00 0.00 33.47 29.42 1wfj s TRP 123 CO -0.02 -0.18 0.54 0.08 0.02 0.00 0.00 176.95 177.39 1wfj s VAL 124 N 1.92 -0.01 -0.02 4.03 1.01 -0.65 -2.32 120.40 124.36 1wfj s VAL 124 Ca 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1wfj s VAL 124 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1wfj s VAL 124 CO 0.11 0.02 0.17 0.00 0.00 0.00 0.00 175.10 175.39 1wfj s ALA 125 N 1.19 3.93 0.02 5.51 0.00 0.16 -3.04 121.76 129.54 1wfj s ALA 125 Ca -0.07 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1wfj s ALA 125 Cb -0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 1wfj s ALA 125 CO -0.12 0.73 -0.25 -0.51 0.00 0.00 0.00 175.76 175.62 1wfj s LEU 126 N -1.83 2.13 -0.29 0.00 1.43 -0.78 0.81 118.68 120.14 1wfj s LEU 126 Ca 0.26 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1wfj s LEU 126 Cb -0.13 -1.21 0.14 0.00 0.03 0.00 0.00 46.19 45.02 1wfj s LEU 126 CO 0.17 0.25 0.32 -0.44 0.23 0.00 0.00 176.35 176.88 1wfj s SER 127 N -1.00 1.40 0.55 2.29 0.01 -0.47 0.19 113.70 116.67 1wfj s SER 127 Ca 0.10 -0.68 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 1wfj s SER 127 Cb -0.10 0.64 -0.07 0.00 0.21 0.00 0.00 66.02 66.71 1wfj s SER 127 CO 0.01 -0.38 1.00 0.12 0.41 0.00 0.00 173.24 174.40 1wfj s PHE 128 N 2.40 3.47 -0.35 2.43 5.36 -0.95 -1.74 117.98 128.60 1wfj s PHE 128 Ca 0.09 1.43 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1wfj s PHE 128 Cb -0.14 -2.79 0.14 0.00 -0.34 0.00 0.00 43.02 39.90 1wfj s PHE 128 CO -0.32 -0.49 0.25 0.15 -1.46 0.00 0.00 175.22 173.34 1wfj s LYS 129 N -4.34 0.53 0.47 10.12 1.02 0.45 -4.66 119.74 123.32 1wfj s LYS 129 Ca 0.58 -1.09 -0.21 0.00 0.02 0.00 0.00 55.97 55.27 1wfj s LYS 129 Cb -0.10 -1.12 -0.09 0.00 -0.52 0.00 0.00 37.83 36.00 1wfj s LYS 129 CO 0.37 -1.18 1.04 -1.25 -0.92 0.00 0.00 175.35 173.41 1wfj s PRO 130 N 1.30 3.89 -1.16 -1.68 0.04 -1.26 -1.74 135.00 134.38 1wfj s PRO 130 Ca 0.17 1.40 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1wfj s PRO 130 Cb -0.20 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1wfj s PRO 130 CO -0.05 -0.36 1.60 0.45 0.04 0.00 0.00 177.00 178.68 1wfj s SER 131 N -1.88 6.68 0.00 6.66 0.15 -1.25 -4.88 113.70 119.16 1wfj s SER 131 Ca 0.65 -1.97 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1wfj s SER 131 Cb -0.18 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1wfj s SER 131 CO 0.22 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.93 1wfj n GLY 132 N 6.12 3.95 3.61 9.45 0.00 -1.26 -5.05 105.19 122.01 1wfj n GLY 132 Ca 0.41 -1.77 -0.43 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 3.56 3.64 -0.39 1.61 0.04 -1.26 -4.95 135.00 137.25 1wfj s PRO 133 Ca 0.00 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.06 1wfj s PRO 133 Cb 0.00 -4.00 0.14 0.00 0.04 0.00 0.00 34.50 30.68 1wfj s PRO 133 CO 0.00 -1.48 0.22 -1.12 0.04 0.00 0.00 177.00 174.66 1wfj s SER 134 N 3.73 3.32 0.39 6.66 0.01 -1.26 -5.08 113.70 121.47 1wfj s SER 134 Ca 0.61 -2.40 0.00 0.00 1.31 0.00 0.00 55.95 55.47 1wfj s SER 134 Cb -0.14 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1wfj s SER 134 CO 0.31 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.43 1wfj n SER 135 N 3.80 -5.20 0.00 2.44 2.88 -1.26 -5.28 113.62 111.01 1wfj n SER 135 Ca 0.10 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1wfj n SER 135 Cb 0.36 -3.19 0.00 0.00 -0.75 0.00 0.00 64.21 60.63 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42