#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 3.44 -0.26 1.61 1.04 -1.26 -5.08 113.70 113.20 1wfj s SER 2 Ca 0.00 1.26 -0.21 0.00 0.48 0.00 0.00 55.95 57.49 1wfj s SER 2 Cb 0.00 -1.93 0.07 0.00 0.10 0.00 0.00 66.02 64.26 1wfj s SER 2 CO 0.00 -2.63 0.68 -0.55 0.98 0.00 0.00 173.24 171.72 1wfj s SER 3 N -3.65 -0.79 0.00 7.02 0.15 -1.26 -5.18 113.70 110.00 1wfj s SER 3 Ca 0.63 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1wfj s SER 3 Cb -0.17 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1wfj s SER 3 CO 0.56 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1wfj n GLY 4 N 3.29 7.20 3.64 9.45 0.00 -1.26 -5.18 105.19 122.33 1wfj n GLY 4 Ca -0.16 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 1wfj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfj s SER 5 N 0.92 -0.16 0.17 1.61 1.04 -1.26 -5.19 113.70 110.83 1wfj s SER 5 Ca 0.00 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 56.50 1wfj s SER 5 Cb 0.00 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.48 1wfj s SER 5 CO 0.00 -0.07 0.63 -0.44 0.98 0.00 0.00 173.24 174.34 1wfj s SER 6 N -0.07 -0.52 0.00 7.02 0.01 -1.26 -5.18 113.70 113.70 1wfj s SER 6 Ca 0.06 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1wfj s SER 6 Cb -0.04 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1wfj s SER 6 CO -0.12 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1wfj n GLY 7 N -0.39 -1.25 0.00 3.44 0.00 -1.26 -5.13 105.19 100.60 1wfj n GLY 7 Ca -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.02 0.27 0.00 1.61 -0.04 -1.26 -5.08 135.00 130.47 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 -1.23 0.00 0.00 0.54 1.44 -1.26 -4.57 115.22 110.14 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 -0.05 -0.64 2.99 -1.39 0.00 -1.05 -3.81 105.19 101.25 1wfj n GLY 10 Ca 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.12 0.11 2.61 2.01 -0.50 -2.65 115.64 117.34 1wfj s THR 11 Ca 0.00 -0.98 0.09 0.00 0.31 0.00 0.00 61.69 61.11 1wfj s THR 11 Cb 0.00 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1wfj s THR 11 CO 0.00 -0.54 -0.21 -0.22 -0.69 0.00 0.00 174.62 172.96 1wfj s LEU 12 N -1.58 2.56 -0.38 4.42 2.96 -0.32 0.12 118.68 126.45 1wfj s LEU 12 Ca -0.14 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.19 1wfj s LEU 12 Cb -0.08 -1.44 0.11 0.00 0.50 0.00 0.00 46.19 45.28 1wfj s LEU 12 CO -0.02 0.19 0.13 -0.70 -1.32 0.00 0.00 176.35 174.63 1wfj s GLU 13 N -2.02 1.37 -0.23 1.98 2.12 -0.86 -1.94 118.70 119.12 1wfj s GLU 13 Ca 0.16 -1.86 -0.23 0.00 0.36 0.00 0.00 54.97 53.40 1wfj s GLU 13 Cb -0.10 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1wfj s GLU 13 CO 0.08 -1.02 0.76 0.08 -0.54 0.00 0.00 175.26 174.63 1wfj s VAL 14 N 0.75 4.90 -0.50 3.70 1.01 0.30 -1.07 120.40 129.48 1wfj s VAL 14 Ca 0.13 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.56 1wfj s VAL 14 Cb -0.21 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.24 1wfj s VAL 14 CO -0.09 -0.02 0.27 -0.69 0.00 0.00 0.00 175.10 174.57 1wfj s VAL 15 N 2.56 3.00 -1.05 2.92 1.01 0.46 0.16 120.40 129.46 1wfj s VAL 15 Ca 0.33 -2.80 -0.23 0.00 0.00 0.00 0.00 61.98 59.28 1wfj s VAL 15 Cb -0.16 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1wfj s VAL 15 CO 0.09 -0.77 1.70 -0.22 0.00 0.00 0.00 175.10 175.90 1wfj s LEU 16 N 0.26 3.41 0.00 3.92 2.96 -0.79 -1.34 118.68 127.09 1wfj s LEU 16 Ca 0.14 -1.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.64 1wfj s LEU 16 Cb -0.22 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.90 1wfj s LEU 16 CO -0.03 -2.00 0.15 0.52 -1.32 0.00 0.00 176.35 173.67 1wfj n VAL 17 N 7.21 0.00 -3.40 1.68 0.31 -1.03 0.08 118.33 123.18 1wfj n VAL 17 Ca 0.39 0.64 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1wfj n VAL 17 Cb 0.48 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 0.00 -3.50 4.52 3.41 -1.18 -0.08 113.62 116.65 1wfj n SER 18 Ca 0.00 -0.72 0.01 0.00 -0.26 0.00 0.00 58.87 57.90 1wfj n SER 18 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.68 -2.12 0.07 7.33 0.00 -1.14 0.11 121.76 124.33 1wfj s ALA 19 Ca 0.00 2.19 0.02 0.00 0.00 0.00 0.00 51.96 54.17 1wfj s ALA 19 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1wfj s ALA 19 CO 0.00 -1.05 0.13 0.15 0.00 0.00 0.00 175.76 174.98 1wfj s LYS 20 N 2.89 3.09 0.00 0.00 1.02 -0.24 -3.94 119.74 122.55 1wfj s LYS 20 Ca 0.02 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1wfj s LYS 20 Cb -0.13 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1wfj s LYS 20 CO -0.20 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1wfj n GLY 21 N 0.42 1.38 3.56 -3.33 0.00 -1.25 -0.43 105.19 105.54 1wfj n GLY 21 Ca -0.07 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 1wfj n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfj s LEU 22 N 0.00 2.79 0.35 0.99 1.43 -1.26 -4.38 118.68 118.61 1wfj s LEU 22 Ca 0.00 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.17 1wfj s LEU 22 Cb 0.00 -1.07 0.28 0.00 0.03 0.00 0.00 46.19 45.43 1wfj s LEU 22 CO 0.00 -0.22 1.46 1.05 0.23 0.00 0.00 176.35 178.87 1wfj h GLU 23 N 1.97 0.00 -1.07 1.70 4.11 -2.00 -3.31 114.58 115.98 1wfj h GLU 23 Ca -0.42 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.52 1wfj h GLU 23 Cb 1.25 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.08 1wfj h GLU 23 CO 0.70 0.00 -0.90 -0.25 0.07 0.00 0.00 179.01 178.63 1wfj n ASP 24 N -2.90 3.73 -3.64 3.06 8.00 -1.26 -5.00 116.55 118.54 1wfj n ASP 24 Ca 0.03 -3.31 -0.05 0.00 0.71 0.00 0.00 54.79 52.16 1wfj n ASP 24 Cb 0.53 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 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 -3.51 -2.03 -0.95 2.24 0.00 -1.25 -5.10 121.76 111.17 1wfj s ALA 25 Ca 0.42 2.34 -0.21 0.00 0.00 0.00 0.00 51.96 54.52 1wfj s ALA 25 Cb 0.40 -1.54 0.10 0.00 0.00 0.00 0.00 23.12 22.08 1wfj s ALA 25 CO -0.06 -0.37 1.23 -0.51 0.00 0.00 0.00 175.76 176.05 1wfj s ASP 26 N 1.53 6.56 -0.07 0.00 1.11 -1.26 -4.08 116.67 120.46 1wfj s ASP 26 Ca -0.10 -1.76 0.01 0.00 0.18 0.00 0.00 52.55 50.88 1wfj s ASP 26 Cb -0.04 -2.46 0.02 0.00 1.07 0.00 0.00 42.92 41.50 1wfj s ASP 26 CO -0.18 -1.25 -0.07 0.12 1.18 0.00 0.00 175.17 174.97 1wfj s PHE 27 N 3.59 1.14 -0.93 4.23 5.36 -1.26 -4.74 117.98 125.38 1wfj s PHE 27 Ca 0.37 -0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 1wfj s PHE 27 Cb -0.04 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 41.70 1wfj s PHE 27 CO -0.08 -0.31 0.13 1.28 -1.46 0.00 0.00 175.22 174.78 1wfj n LEU 28 N 4.32 -1.78 0.00 6.12 4.77 -1.26 -4.50 117.00 124.67 1wfj n LEU 28 Ca -0.19 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1wfj n LEU 28 Cb 0.51 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1wfj n LEU 28 CO 0.21 -0.02 0.00 -3.20 -1.33 0.00 0.00 177.39 173.05 1wfj n ASN 29 N -0.35 0.00 -3.95 -1.43 5.15 -1.26 -3.20 115.26 110.22 1wfj n ASN 29 Ca -0.11 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.51 1wfj n ASN 29 Cb 0.59 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.75 1wfj n ASN 29 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1wfj n ASN 30 N 0.00 2.05 -3.16 1.20 3.02 -1.26 -4.34 115.26 112.77 1wfj n ASN 30 Ca 0.00 -2.61 -0.16 0.00 -0.03 0.00 0.00 54.58 51.78 1wfj n ASN 30 Cb 0.00 -1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 37.94 1wfj n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfj s MET 31 N 6.42 1.95 -0.70 3.52 0.23 -1.26 -5.05 119.30 124.41 1wfj s MET 31 Ca 0.67 -1.85 0.05 0.00 -1.03 0.00 0.00 55.69 53.53 1wfj s MET 31 Cb 0.08 0.43 0.19 0.00 -1.53 0.00 0.00 34.83 34.00 1wfj s MET 31 CO 0.20 -0.80 0.57 -0.25 -2.03 0.00 0.00 175.02 172.70 1wfj n ASP 32 N -1.57 3.25 -4.80 -1.18 9.92 -1.26 -4.38 116.55 116.54 1wfj n ASP 32 Ca 0.02 -3.27 -0.30 0.00 -0.53 0.00 0.00 54.79 50.72 1wfj n ASP 32 Cb 0.61 -0.75 0.10 0.00 -0.64 0.00 0.00 41.12 40.45 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 -1.71 1.83 -0.28 -0.24 0.04 -1.26 -2.87 135.00 130.51 1wfj s PRO 33 Ca 0.28 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.70 1wfj s PRO 33 Cb 0.00 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.74 1wfj s PRO 33 CO -0.13 -1.78 0.77 1.52 0.04 0.00 0.00 177.00 177.42 1wfj s TYR 34 N -3.19 -0.92 0.28 0.56 1.13 -0.87 -2.52 117.35 111.82 1wfj s TYR 34 Ca 0.62 1.87 -0.04 0.00 -1.41 0.00 0.00 57.07 58.11 1wfj s TYR 34 Cb -0.14 0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1wfj s TYR 34 CO 0.54 -0.46 0.53 0.08 -2.51 0.00 0.00 175.55 173.74 1wfj s VAL 35 N 1.45 5.05 -0.40 -3.49 1.01 -1.26 -2.12 120.40 120.63 1wfj s VAL 35 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1wfj s VAL 35 Cb -0.05 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.71 1wfj s VAL 35 CO -0.17 -0.31 0.15 -1.58 0.00 0.00 0.00 175.10 173.19 1wfj s GLN 36 N -3.56 1.43 -0.01 2.72 0.74 -1.04 -2.71 119.66 117.24 1wfj s GLN 36 Ca 0.43 -1.95 -0.30 0.00 0.05 0.00 0.00 55.36 53.59 1wfj s GLN 36 Cb -0.11 -2.84 -0.07 0.00 1.10 0.00 0.00 33.01 31.09 1wfj s GLN 36 CO 0.30 -1.04 1.71 -0.51 -0.55 0.00 0.00 175.29 175.21 1wfj s LEU 37 N 0.61 4.35 -0.02 3.68 1.02 0.42 -4.23 118.68 124.51 1wfj s LEU 37 Ca 0.14 2.38 0.06 0.00 0.02 0.00 0.00 54.13 56.73 1wfj s LEU 37 Cb -0.22 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.44 1wfj s LEU 37 CO -0.07 -0.94 -0.20 -0.89 0.02 0.00 0.00 176.35 174.26 1wfj s THR 38 N 3.77 1.62 -0.30 5.49 2.01 -1.11 0.19 115.64 127.31 1wfj s THR 38 Ca 0.76 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1wfj s THR 38 Cb -0.37 -1.36 0.11 0.00 0.01 0.00 0.00 72.50 70.90 1wfj s THR 38 CO 0.33 0.46 0.17 0.00 -0.69 0.00 0.00 174.62 174.89 1wfj n ARG 40 N 5.04 0.00 0.00 0.00 3.00 -1.26 0.69 116.66 124.12 1wfj n ARG 40 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 1wfj n ARG 40 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1wfj n THR 41 N 0.00 0.16 -3.42 0.55 -2.24 -1.26 -4.97 114.28 103.10 1wfj n THR 41 Ca 0.00 -0.58 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1wfj n THR 41 Cb 0.00 0.92 -0.10 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 -0.16 3.51 -0.21 -0.78 -0.21 0.22 -5.05 119.66 116.98 1wfj s GLN 42 Ca 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 55.36 54.87 1wfj s GLN 42 Cb 0.00 -3.82 0.01 0.00 1.00 0.00 0.00 33.01 30.20 1wfj s GLN 42 CO 0.00 -0.53 -0.11 0.16 -2.12 0.00 0.00 175.29 172.69 1wfj s ASP 43 N 1.73 3.86 -0.06 5.90 -4.77 -1.26 0.17 116.67 122.24 1wfj s ASP 43 Ca 0.11 -0.58 -0.00 0.00 -3.30 0.00 0.00 52.55 48.77 1wfj s ASP 43 Cb -0.17 -1.63 0.03 0.00 -1.09 0.00 0.00 42.92 40.06 1wfj s ASP 43 CO 0.11 -0.03 -0.02 -1.10 0.70 0.00 0.00 175.17 174.83 1wfj s GLN 44 N 1.38 0.74 0.36 2.11 1.11 0.50 -4.99 119.66 120.87 1wfj s GLN 44 Ca 0.04 0.01 0.07 0.00 0.01 0.00 0.00 55.36 55.50 1wfj s GLN 44 Cb -0.14 -0.95 -0.02 0.00 -1.01 0.00 0.00 33.01 30.89 1wfj s GLN 44 CO -0.07 -0.22 0.37 0.15 0.01 0.00 0.00 175.29 175.53 1wfj s LYS 45 N 1.55 2.78 0.25 2.91 1.02 -1.26 0.16 119.74 127.15 1wfj s LYS 45 Ca -0.01 -1.28 0.09 0.00 0.02 0.00 0.00 55.97 54.79 1wfj s LYS 45 Cb -0.13 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1wfj s LYS 45 CO -0.03 -0.00 0.01 0.45 -0.92 0.00 0.00 175.35 174.86 1wfj s SER 46 N -4.09 4.66 0.54 2.83 0.15 -1.10 -4.91 113.70 111.77 1wfj s SER 46 Ca 0.45 -0.58 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 1wfj s SER 46 Cb -0.06 -0.92 -0.09 0.00 -1.71 0.00 0.00 66.02 63.24 1wfj s SER 46 CO 0.28 0.01 0.53 0.59 1.20 0.00 0.00 173.24 175.85 1wfj n ASN 47 N -0.81 -1.00 -4.64 5.45 3.02 -1.26 -4.73 115.26 111.29 1wfj n ASN 47 Ca -0.07 0.77 -0.43 0.00 -0.03 0.00 0.00 54.58 54.82 1wfj n ASN 47 Cb 0.58 -1.16 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 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 -1.68 4.11 -0.95 2.41 1.01 -1.26 -4.87 120.40 119.17 1wfj s VAL 48 Ca 0.67 1.28 -0.25 0.00 0.00 0.00 0.00 61.98 63.68 1wfj s VAL 48 Cb -0.47 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 1wfj s VAL 48 CO 0.55 -0.36 2.14 0.00 0.00 0.00 0.00 175.10 177.43 1wfj s ALA 49 N 4.25 1.10 0.05 5.51 0.00 -1.05 -4.90 121.76 126.73 1wfj s ALA 49 Ca 0.58 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1wfj s ALA 49 Cb -0.19 -4.61 -0.05 0.00 0.00 0.00 0.00 23.12 18.26 1wfj s ALA 49 CO 0.22 -5.71 1.07 -1.21 0.00 0.00 0.00 175.76 170.13 1wfj s GLU 50 N 7.86 4.53 -0.60 0.00 2.02 -1.26 -4.08 118.70 127.17 1wfj s GLU 50 Ca 0.80 1.58 -0.14 0.00 0.02 0.00 0.00 54.97 57.23 1wfj s GLU 50 Cb -0.07 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.79 1wfj s GLU 50 CO 0.08 -0.08 0.56 0.41 0.02 0.00 0.00 175.26 176.25 1wfj n GLY 51 N 2.84 -0.64 0.02 -1.39 0.00 -1.26 -4.89 105.19 99.88 1wfj n GLY 51 Ca 0.06 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.79 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 -1.51 2.52 0.00 1.61 1.56 -1.26 -5.12 117.12 114.91 1wfj n MET 52 Ca -0.21 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.23 1wfj n MET 52 Cb 0.62 -1.12 0.00 0.00 2.15 0.00 0.00 33.22 34.87 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 2.84 -0.16 1.45 -5.12 0.00 -1.26 -4.32 105.19 98.62 1wfj n GLY 53 Ca -0.08 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 1.82 -2.74 2.61 -2.24 -1.19 -4.26 114.28 108.27 1wfj n THR 54 Ca 0.00 -0.85 -0.08 0.00 -2.27 0.00 0.00 64.05 60.85 1wfj n THR 54 Cb 0.00 -0.61 0.05 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.07 0.00 -2.52 4.28 -2.24 -1.26 -3.91 114.28 108.56 1wfj n THR 55 Ca 0.24 -1.41 -0.39 0.00 -2.27 0.00 0.00 64.05 60.21 1wfj n THR 55 Cb 0.94 1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 70.58 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 4.54 -0.02 -0.78 0.04 -1.25 -4.91 135.00 133.26 1wfj s PRO 56 Ca 0.31 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.14 1wfj s PRO 56 Cb 0.22 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1wfj s PRO 56 CO -0.23 0.15 -0.26 -1.21 0.04 0.00 0.00 177.00 175.50 1wfj s GLU 57 N -1.68 2.13 -0.01 4.56 8.01 -1.26 -2.86 118.70 127.59 1wfj s GLU 57 Ca 0.47 -0.92 -0.00 0.00 0.01 0.00 0.00 54.97 54.53 1wfj s GLU 57 Cb -0.29 -2.06 -0.00 0.00 -4.31 0.00 0.00 34.13 27.47 1wfj s GLU 57 CO 0.37 0.56 -0.01 0.91 0.01 0.00 0.00 175.26 177.10 1wfj n TRP 58 N 2.44 0.00 -3.30 1.61 8.01 0.89 -4.92 117.44 122.17 1wfj n TRP 58 Ca -0.16 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.83 1wfj n TRP 58 Cb 0.51 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.31 29.77 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 -2.68 -2.52 -4.86 -0.99 3.02 0.11 -4.90 115.26 102.45 1wfj n ASN 59 Ca -0.01 -0.28 -0.24 0.00 -0.03 0.00 0.00 54.58 54.03 1wfj n ASN 59 Cb 0.51 -2.16 0.07 0.00 -0.61 0.00 0.00 39.78 37.59 1wfj n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wfj s GLU 60 N -5.91 2.15 -0.06 3.52 0.41 -1.03 -4.89 118.70 112.88 1wfj s GLU 60 Ca 0.35 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 54.25 1wfj s GLU 60 Cb -0.19 -2.32 0.02 0.00 -1.78 0.00 0.00 34.13 29.86 1wfj s GLU 60 CO 0.43 -1.13 -0.03 0.99 -0.49 0.00 0.00 175.26 175.03 1wfj s THR 61 N -3.06 0.48 -0.10 3.63 2.01 -1.26 -1.89 115.64 115.46 1wfj s THR 61 Ca 0.61 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1wfj s THR 61 Cb -0.09 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.87 1wfj s THR 61 CO 0.42 0.24 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.09 1wfj s PHE 62 N 1.37 1.84 -0.02 4.92 0.08 0.43 -4.95 117.98 121.65 1wfj s PHE 62 Ca -0.04 -0.82 -0.07 0.00 0.12 0.00 0.00 56.93 56.12 1wfj s PHE 62 Cb -0.13 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.93 1wfj s PHE 62 CO -0.03 -0.42 0.25 0.42 -0.10 0.00 0.00 175.22 175.34 1wfj s ILE 63 N 0.92 5.33 -0.00 0.64 -1.09 -1.26 0.11 121.20 125.84 1wfj s ILE 63 Ca -0.09 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1wfj s ILE 63 Cb -0.15 -3.55 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1wfj s ILE 63 CO -0.00 0.42 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.73 1wfj s PHE 64 N -1.24 0.33 -0.39 3.97 0.08 -0.82 -4.97 117.98 114.94 1wfj s PHE 64 Ca 0.25 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.95 1wfj s PHE 64 Cb -0.13 -0.22 0.01 0.00 -0.57 0.00 0.00 43.02 42.10 1wfj s PHE 64 CO 0.14 -0.01 1.43 0.99 -0.10 0.00 0.00 175.22 177.67 1wfj s THR 65 N -0.01 3.89 0.10 0.64 2.01 -1.26 -1.17 115.64 119.84 1wfj s THR 65 Ca 0.01 0.92 -0.05 0.00 0.31 0.00 0.00 61.69 62.88 1wfj s THR 65 Cb -0.02 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1wfj s THR 65 CO -0.00 -0.70 0.34 -0.69 -0.69 0.00 0.00 174.62 172.87 1wfj s VAL 66 N 5.42 5.21 0.00 3.82 1.01 -1.09 -4.90 120.40 129.88 1wfj s VAL 66 Ca 0.62 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1wfj s VAL 66 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wfj s VAL 66 CO 0.32 0.13 0.00 -1.20 0.00 0.00 0.00 175.10 174.35 1wfj n SER 67 N 0.36 0.00 -3.86 3.32 7.64 -1.26 -2.52 113.62 117.30 1wfj n SER 67 Ca -0.05 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.71 1wfj n SER 67 Cb 0.52 0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.70 1wfj n SER 67 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1wfj s GLU 68 N -0.71 0.04 0.00 1.43 -1.05 -1.26 -4.59 118.70 112.55 1wfj s GLU 68 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1wfj s GLU 68 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1wfj s GLU 68 CO 0.00 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.62 1wfj n GLY 69 N 3.05 2.22 3.57 -3.83 0.00 -1.26 -4.92 105.19 104.02 1wfj n GLY 69 Ca -0.12 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.18 3.19 -0.17 2.61 2.01 -1.26 -4.46 115.64 117.38 1wfj s THR 70 Ca 0.00 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 61.84 1wfj s THR 70 Cb 0.00 -3.81 -0.13 0.00 0.01 0.00 0.00 72.50 68.57 1wfj s THR 70 CO 0.00 -0.37 0.27 0.35 -0.69 0.00 0.00 174.62 174.18 1wfj n THR 71 N 8.54 0.00 -3.78 -0.82 -2.24 -1.26 -4.80 114.28 109.93 1wfj n THR 71 Ca 0.43 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1wfj n THR 71 Cb 0.46 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.34 1.19 0.05 -0.78 1.03 -1.26 0.74 118.70 117.33 1wfj s GLU 72 Ca -0.01 -0.91 0.08 0.00 0.03 0.00 0.00 54.97 54.16 1wfj s GLU 72 Cb 0.06 0.45 -0.03 0.00 -0.80 0.00 0.00 34.13 33.81 1wfj s GLU 72 CO 0.38 -0.47 -0.21 -1.17 -1.33 0.00 0.00 175.26 172.47 1wfj s LEU 73 N -2.88 2.49 -0.21 1.83 2.96 0.89 -4.82 118.68 118.95 1wfj s LEU 73 Ca 0.09 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1wfj s LEU 73 Cb 0.01 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1wfj s LEU 73 CO -0.05 0.25 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.67 1wfj s LYS 74 N -1.48 3.53 -0.31 1.98 3.01 -1.20 -0.73 119.74 124.53 1wfj s LYS 74 Ca 0.14 -0.56 0.03 0.00 -1.01 0.00 0.00 55.97 54.58 1wfj s LYS 74 Cb -0.10 -3.08 0.09 0.00 -1.01 0.00 0.00 37.83 33.73 1wfj s LYS 74 CO 0.05 -0.08 0.02 0.00 0.51 0.00 0.00 175.35 175.85 1wfj s ALA 75 N 1.23 2.60 -0.11 5.17 0.00 -0.78 -2.73 121.76 127.13 1wfj s ALA 75 Ca 0.03 -2.21 -0.05 0.00 0.00 0.00 0.00 51.96 49.74 1wfj s ALA 75 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1wfj s ALA 75 CO 0.01 -1.56 0.07 0.15 0.00 0.00 0.00 175.76 174.42 1wfj s LYS 76 N 1.06 3.31 -0.27 0.00 1.02 -1.26 -0.50 119.74 123.10 1wfj s LYS 76 Ca 0.06 -0.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.67 1wfj s LYS 76 Cb -0.19 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1wfj s LYS 76 CO -0.09 0.67 0.16 0.42 -0.92 0.00 0.00 175.35 175.58 1wfj s ILE 77 N -0.76 5.02 0.33 2.17 1.09 0.27 -2.48 121.20 126.83 1wfj s ILE 77 Ca 0.12 0.05 0.05 0.00 -1.10 0.00 0.00 60.65 59.78 1wfj s ILE 77 Cb -0.12 -3.39 -0.07 0.00 -1.06 0.00 0.00 42.46 37.83 1wfj s ILE 77 CO 0.03 0.26 0.02 -0.36 -0.10 0.00 0.00 174.94 174.79 1wfj s PHE 78 N 1.72 2.07 -0.07 3.97 0.08 -0.90 0.20 117.98 125.05 1wfj s PHE 78 Ca 0.07 -0.83 -0.15 0.00 0.12 0.00 0.00 56.93 56.14 1wfj s PHE 78 Cb -0.16 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1wfj s PHE 78 CO 0.09 0.18 0.39 0.34 -0.10 0.00 0.00 175.22 176.12 1wfj s ASP 79 N -3.52 6.69 0.65 1.36 -1.08 -1.26 -2.04 116.67 117.47 1wfj s ASP 79 Ca 0.34 0.82 0.23 0.00 -0.52 0.00 0.00 52.55 53.42 1wfj s ASP 79 Cb 0.08 -2.24 1.24 0.00 -1.46 0.00 0.00 42.92 40.54 1wfj s ASP 79 CO 0.15 0.20 1.70 0.07 0.52 0.00 0.00 175.17 177.81 1wfj h LYS 80 N 5.62 0.00 0.10 4.34 2.10 -1.86 1.87 116.57 128.74 1wfj h LYS 80 Ca -0.47 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 57.91 1wfj h LYS 80 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1wfj h LYS 80 CO 0.68 0.00 -1.27 0.22 -2.00 0.00 0.00 179.45 177.08 1wfj h ASP 81 N 0.00 0.33 -3.25 7.07 3.58 -1.91 -3.46 116.42 118.78 1wfj h ASP 81 Ca 0.05 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1wfj h ASP 81 Cb 1.10 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1wfj h ASP 81 CO -0.00 1.30 0.00 1.33 -2.88 0.00 0.00 179.24 178.99 1wfj n VAL 82 N -3.47 0.00 -4.00 2.25 0.24 0.64 -5.13 118.33 108.85 1wfj n VAL 82 Ca -0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 1wfj n VAL 82 Cb 1.01 -1.27 -0.13 0.00 -1.47 0.00 0.00 33.84 31.99 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 -2.13 0.23 0.37 7.63 0.00 -1.26 -4.67 107.32 107.49 1wfj s GLY 83 Ca 0.00 -0.39 0.29 0.00 0.00 0.00 0.00 44.72 44.62 1wfj s GLY 83 CO 0.00 -0.42 1.22 -1.30 0.00 0.00 0.00 173.10 172.60 1wfj n THR 84 N 2.25 -0.15 -3.00 0.90 -2.24 -1.26 -0.63 114.28 110.14 1wfj n THR 84 Ca -0.18 1.35 -0.43 0.00 -2.27 0.00 0.00 64.05 62.51 1wfj n THR 84 Cb 0.57 -2.21 0.01 0.00 -2.10 0.00 0.00 70.33 66.59 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 -4.06 4.46 0.00 -0.78 1.02 -1.26 -4.49 120.64 115.53 1wfj n GLU 85 Ca 0.32 -4.54 0.00 0.00 -0.02 0.00 0.00 57.16 52.92 1wfj n GLU 85 Cb 1.31 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.38 0.00 -3.44 1.62 2.03 0.20 -5.13 116.55 113.20 1wfj n ASP 86 Ca 0.26 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.58 1wfj n ASP 86 Cb 0.33 0.31 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.55 -0.57 -0.23 1.67 -1.08 -1.25 -5.05 116.67 109.61 1wfj s ASP 87 Ca 0.00 0.80 -0.09 0.00 -0.52 0.00 0.00 52.55 52.74 1wfj s ASP 87 Cb 0.00 1.60 -0.04 0.00 -1.46 0.00 0.00 42.92 43.02 1wfj s ASP 87 CO 0.00 -0.11 0.12 0.00 0.52 0.00 0.00 175.17 175.69 1wfj s ALA 88 N 2.29 3.42 0.58 3.66 0.00 -1.25 -4.45 121.76 126.01 1wfj s ALA 88 Ca -0.04 -0.95 0.37 0.00 0.00 0.00 0.00 51.96 51.34 1wfj s ALA 88 Cb -0.06 -2.18 1.40 0.00 0.00 0.00 0.00 23.12 22.28 1wfj s ALA 88 CO -0.17 -0.24 1.58 -0.39 0.00 0.00 0.00 175.76 176.53 1wfj h VAL 89 N 5.19 0.13 -2.15 0.00 -1.51 0.19 -3.43 116.25 114.66 1wfj h VAL 89 Ca -0.37 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.39 1wfj h VAL 89 Cb 1.17 0.17 -0.05 0.00 -2.13 0.00 0.00 31.29 30.45 1wfj h VAL 89 CO 0.63 0.00 0.78 0.61 -1.23 0.00 0.00 177.57 178.36 1wfj n GLY 90 N -1.77 0.32 3.65 5.19 0.00 -1.14 -4.81 105.19 106.64 1wfj n GLY 90 Ca 0.29 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.02 1.73 -0.22 1.61 4.04 0.26 0.96 118.70 125.06 1wfj s GLU 91 Ca 0.27 -1.29 -0.19 0.00 0.04 0.00 0.00 54.97 53.79 1wfj s GLU 91 Cb -0.01 0.51 0.06 0.00 0.02 0.00 0.00 34.13 34.71 1wfj s GLU 91 CO 0.00 -0.75 0.58 0.00 -1.84 0.00 0.00 175.26 173.26 1wfj s ALA 92 N -3.66 -1.45 -0.36 -0.84 0.00 0.34 0.10 121.76 115.89 1wfj s ALA 92 Ca 0.21 1.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.73 1wfj s ALA 92 Cb -0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1wfj s ALA 92 CO 0.10 -0.28 0.29 0.99 0.00 0.00 0.00 175.76 176.86 1wfj s THR 93 N 0.49 5.25 -0.44 0.00 2.01 -1.26 -1.87 115.64 119.81 1wfj s THR 93 Ca -0.01 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 1wfj s THR 93 Cb -0.04 -3.80 0.10 0.00 0.01 0.00 0.00 72.50 68.77 1wfj s THR 93 CO -0.02 -0.11 0.30 -0.63 -0.69 0.00 0.00 174.62 173.48 1wfj s ILE 94 N 1.80 4.23 0.22 1.82 1.01 0.09 -4.94 121.20 125.42 1wfj s ILE 94 Ca 0.07 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 58.84 1wfj s ILE 94 Cb -0.18 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 1wfj s ILE 94 CO 0.11 -0.64 1.10 -2.16 0.00 0.00 0.00 174.94 173.35 1wfj s PRO 95 N 1.40 4.61 -0.01 2.79 0.04 -1.26 0.30 135.00 142.87 1wfj s PRO 95 Ca 0.04 1.76 0.20 0.00 0.04 0.00 0.00 61.00 63.04 1wfj s PRO 95 Cb -0.25 -3.24 0.59 0.00 0.04 0.00 0.00 34.50 31.64 1wfj s PRO 95 CO 0.01 0.13 1.49 1.28 0.04 0.00 0.00 177.00 179.95 1wfj n LEU 96 N 1.91 3.61 -0.12 -3.56 4.77 0.23 -4.21 117.00 119.63 1wfj n LEU 96 Ca 0.01 -1.81 -0.09 0.00 -0.03 0.00 0.00 56.01 54.09 1wfj n LEU 96 Cb 0.46 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1wfj n LEU 96 CO 0.54 0.87 0.69 -0.08 -1.33 0.00 0.00 177.39 178.08 1wfj h GLU 97 N 3.83 0.88 0.00 3.23 4.81 -1.90 -1.60 114.58 123.83 1wfj h GLU 97 Ca 0.00 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 58.79 1wfj h GLU 97 Cb 0.93 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1wfj h GLU 97 CO 0.02 1.00 -0.40 -1.00 -0.73 0.00 0.00 179.01 177.91 1wfj h PRO 98 N 0.76 0.00 -0.00 0.92 0.13 -1.92 -2.42 132.00 129.47 1wfj h PRO 98 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1wfj h PRO 98 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1wfj h PRO 98 CO 0.06 0.40 -0.17 1.55 -0.23 0.00 0.00 178.00 179.60 1wfj n VAL 99 N -3.39 0.00 -0.08 1.56 3.14 -1.06 -1.01 118.33 117.50 1wfj n VAL 99 Ca 0.01 -0.04 -0.11 0.00 -2.96 0.00 0.00 64.34 61.25 1wfj n VAL 99 Cb 0.58 -0.10 -0.15 0.00 -1.06 0.00 0.00 33.84 33.11 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 -1.19 0.33 -0.04 1.45 3.72 -0.63 -2.13 117.46 118.97 1wfj n PHE 100 Ca 0.11 0.11 -0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1wfj n PHE 100 Cb 0.31 -1.06 -0.14 0.00 -0.94 0.00 0.00 39.48 37.64 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 -2.90 1.56 -0.01 -4.37 0.24 -0.95 -4.27 118.33 107.64 1wfj n VAL 101 Ca -0.29 -0.79 -0.11 0.00 -2.04 0.00 0.00 64.34 61.10 1wfj n VAL 101 Cb 1.11 -0.97 -0.14 0.00 -1.47 0.00 0.00 33.84 32.37 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wfj n GLU 102 N -3.02 0.66 0.00 7.34 -0.58 -0.18 -4.96 120.64 119.90 1wfj n GLU 102 Ca -0.24 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1wfj n GLU 102 Cb 1.08 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1wfj n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wfj n GLY 103 N 1.65 2.47 3.64 0.62 0.00 -0.90 -4.92 105.19 107.74 1wfj n GLY 103 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1wfj n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfj s SER 104 N -3.23 -0.65 -0.06 1.61 1.04 -1.25 -2.24 113.70 108.92 1wfj s SER 104 Ca 0.00 1.04 0.06 0.00 0.48 0.00 0.00 55.95 57.53 1wfj s SER 104 Cb 0.00 1.29 -0.01 0.00 0.10 0.00 0.00 66.02 67.40 1wfj s SER 104 CO 0.00 -0.16 -0.23 -0.63 0.98 0.00 0.00 173.24 173.19 1wfj s ILE 105 N 1.48 1.92 0.87 -1.02 -1.09 0.42 -4.88 121.20 118.89 1wfj s ILE 105 Ca -0.09 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.22 1wfj s ILE 105 Cb -0.04 -1.63 0.11 0.00 -1.58 0.00 0.00 42.46 39.32 1wfj s ILE 105 CO -0.17 0.53 1.12 -2.16 -1.23 0.00 0.00 174.94 173.04 1wfj s PRO 106 N -0.07 1.46 -0.62 2.79 0.04 -1.26 -2.80 135.00 134.54 1wfj s PRO 106 Ca -0.05 0.41 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 1wfj s PRO 106 Cb -0.14 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1wfj s PRO 106 CO 0.04 -2.00 1.53 -1.25 0.04 0.00 0.00 177.00 175.36 1wfj s PRO 107 N -5.24 3.05 0.16 0.56 0.04 -1.25 -4.44 135.00 127.87 1wfj s PRO 107 Ca 0.63 0.33 0.10 0.00 0.04 0.00 0.00 61.00 62.10 1wfj s PRO 107 Cb -0.15 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 1wfj s PRO 107 CO 0.54 -2.25 -0.18 0.99 0.04 0.00 0.00 177.00 176.13 1wfj s THR 108 N 6.97 2.74 -0.53 1.26 2.01 -0.34 -4.81 115.64 122.93 1wfj s THR 108 Ca 0.53 -1.73 -0.28 0.00 0.31 0.00 0.00 61.69 60.52 1wfj s THR 108 Cb -0.11 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1wfj s THR 108 CO 0.21 -0.02 1.16 0.00 -0.69 0.00 0.00 174.62 175.28 1wfj s ALA 109 N -1.44 3.07 0.21 7.40 0.00 -1.26 -1.33 121.76 128.40 1wfj s ALA 109 Ca 0.20 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 1wfj s ALA 109 Cb -0.09 -3.96 -0.08 0.00 0.00 0.00 0.00 23.12 18.98 1wfj s ALA 109 CO 0.11 -2.47 0.74 0.71 0.00 0.00 0.00 175.76 174.85 1wfj s TYR 110 N 4.70 3.71 0.24 0.00 2.02 0.53 -4.72 117.35 123.83 1wfj s TYR 110 Ca 0.45 1.45 -0.31 0.00 -0.37 0.00 0.00 57.07 58.29 1wfj s TYR 110 Cb -0.07 -2.66 -0.12 0.00 -0.40 0.00 0.00 41.96 38.71 1wfj s TYR 110 CO 0.28 0.38 1.68 -0.80 -1.57 0.00 0.00 175.55 175.52 1wfj s ASN 111 N -1.53 6.36 -0.27 2.29 -0.87 -1.26 0.75 114.94 120.42 1wfj s ASN 111 Ca 0.41 2.91 -0.03 0.00 -1.57 0.00 0.00 52.86 54.58 1wfj s ASN 111 Cb -0.18 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.46 1wfj s ASN 111 CO 0.22 -0.96 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.09 1wfj s VAL 112 N 0.75 3.25 0.42 1.60 1.01 0.89 -4.36 120.40 123.96 1wfj s VAL 112 Ca 0.71 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1wfj s VAL 112 Cb -0.49 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1wfj s VAL 112 CO 0.38 0.14 0.24 0.68 0.00 0.00 0.00 175.10 176.54 1wfj s VAL 113 N 1.38 2.35 -0.36 2.92 -7.23 0.11 0.97 120.40 120.54 1wfj s VAL 113 Ca 0.01 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1wfj s VAL 113 Cb -0.17 -2.94 0.15 0.00 0.56 0.00 0.00 36.38 33.97 1wfj s VAL 113 CO -0.02 0.00 0.27 -0.75 -0.31 0.00 0.00 175.10 174.29 1wfj s LYS 114 N -3.99 0.59 0.00 4.82 2.47 0.34 0.93 119.74 124.90 1wfj s LYS 114 Ca 0.42 -1.25 0.00 0.00 -1.56 0.00 0.00 55.97 53.58 1wfj s LYS 114 Cb 0.02 -1.14 0.00 0.00 -1.46 0.00 0.00 37.83 35.25 1wfj s LYS 114 CO 0.24 -1.22 0.00 -3.47 0.16 0.00 0.00 175.35 171.06 1wfj n ASP 115 N 4.02 0.00 0.00 1.43 -0.08 -1.26 -3.10 116.55 117.55 1wfj n ASP 115 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1wfj n ASP 115 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 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 -1.65 0.00 -1.97 -0.67 0.28 -1.26 -5.15 120.64 110.21 1wfj n GLU 116 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 1wfj n GLU 116 Cb 0.00 0.00 0.05 0.00 1.43 0.00 0.00 31.44 32.92 1wfj n GLU 116 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1wfj s GLU 117 N 0.00 2.68 -0.30 3.44 -1.05 -1.18 -4.97 118.70 117.33 1wfj s GLU 117 Ca 0.00 0.30 -0.10 0.00 -0.15 0.00 0.00 54.97 55.02 1wfj s GLU 117 Cb 0.00 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.61 1wfj s GLU 117 CO 0.00 -1.09 0.17 -0.47 0.95 0.00 0.00 175.26 174.82 1wfj s TYR 118 N -3.34 3.19 -0.16 4.83 5.04 -1.26 0.13 117.35 125.77 1wfj s TYR 118 Ca 0.58 -0.20 -0.14 0.00 -2.44 0.00 0.00 57.07 54.87 1wfj s TYR 118 Cb -0.11 -2.37 -0.10 0.00 0.35 0.00 0.00 41.96 39.73 1wfj s TYR 118 CO 0.50 -0.31 0.04 0.87 -1.34 0.00 0.00 175.55 175.31 1wfj h LYS 119 N 8.37 0.00 0.00 4.97 1.79 0.32 -3.48 116.57 128.55 1wfj h LYS 119 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1wfj h LYS 119 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1wfj h LYS 119 CO 0.59 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.79 1wfj n GLY 120 N 1.57 2.45 2.94 3.86 0.00 -0.97 -4.04 105.19 110.99 1wfj n GLY 120 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 4.75 0.16 -0.16 1.61 -1.05 0.43 -0.08 118.70 124.35 1wfj s GLU 121 Ca 0.00 -0.19 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 1wfj s GLU 121 Cb 0.00 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.76 1wfj s GLU 121 CO 0.00 -0.03 -0.18 -1.50 0.95 0.00 0.00 175.26 174.50 1wfj s ILE 122 N -0.54 2.31 -0.26 1.83 2.07 0.23 -1.08 121.20 125.75 1wfj s ILE 122 Ca -0.06 -0.88 -0.26 0.00 -1.41 0.00 0.00 60.65 58.04 1wfj s ILE 122 Cb -0.04 -1.96 0.00 0.00 0.13 0.00 0.00 42.46 40.59 1wfj s ILE 122 CO -0.00 0.53 0.89 0.26 -1.91 0.00 0.00 174.94 174.70 1wfj s TRP 123 N 1.01 3.28 0.07 3.50 0.52 0.29 0.20 118.94 127.81 1wfj s TRP 123 Ca -0.02 1.15 0.01 0.00 0.02 0.00 0.00 56.10 57.26 1wfj s TRP 123 Cb -0.15 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 1wfj s TRP 123 CO -0.05 -0.48 -0.06 0.08 0.02 0.00 0.00 176.95 176.46 1wfj s VAL 124 N 3.01 0.54 -0.07 4.03 1.01 -0.44 -2.47 120.40 126.01 1wfj s VAL 124 Ca 0.37 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1wfj s VAL 124 Cb -0.15 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 35.03 1wfj s VAL 124 CO 0.09 -0.72 0.14 0.00 0.00 0.00 0.00 175.10 174.61 1wfj s ALA 125 N -2.86 -0.16 -0.06 5.51 0.00 -0.45 -1.20 121.76 122.53 1wfj s ALA 125 Ca 0.03 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1wfj s ALA 125 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1wfj s ALA 125 CO -0.04 -0.41 -0.17 -0.51 0.00 0.00 0.00 175.76 174.63 1wfj s LEU 126 N 1.87 2.54 -0.35 0.00 2.01 -1.12 0.17 118.68 123.81 1wfj s LEU 126 Ca -0.01 -0.31 -0.01 0.00 0.01 0.00 0.00 54.13 53.81 1wfj s LEU 126 Cb -0.12 -1.51 0.12 0.00 0.01 0.00 0.00 46.19 44.69 1wfj s LEU 126 CO -0.06 0.29 0.17 -0.44 1.01 0.00 0.00 176.35 177.32 1wfj s SER 127 N -0.40 3.50 0.77 2.29 0.01 -0.24 0.16 113.70 119.79 1wfj s SER 127 Ca 0.04 -1.95 -0.13 0.00 1.31 0.00 0.00 55.95 55.22 1wfj s SER 127 Cb -0.12 -0.64 0.06 0.00 0.21 0.00 0.00 66.02 65.53 1wfj s SER 127 CO 0.02 -0.35 1.15 0.12 0.41 0.00 0.00 173.24 174.59 1wfj s PHE 128 N 1.27 2.14 -0.36 2.43 5.36 -0.95 -2.03 117.98 125.85 1wfj s PHE 128 Ca 0.14 1.63 0.01 0.00 -0.96 0.00 0.00 56.93 57.76 1wfj s PHE 128 Cb -0.20 -3.31 0.15 0.00 -0.34 0.00 0.00 43.02 39.31 1wfj s PHE 128 CO -0.14 -2.35 0.28 0.15 -1.46 0.00 0.00 175.22 171.70 1wfj s LYS 129 N -4.31 0.57 0.45 10.12 1.02 0.32 -4.66 119.74 123.25 1wfj s LYS 129 Ca 0.69 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 55.37 1wfj s LYS 129 Cb -0.24 -1.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.95 1wfj s LYS 129 CO 0.50 -1.20 1.04 -1.25 -0.92 0.00 0.00 175.35 173.52 1wfj s PRO 130 N 1.27 3.96 -1.13 -1.68 0.04 -1.26 -1.41 135.00 134.78 1wfj s PRO 130 Ca 0.17 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 1wfj s PRO 130 Cb -0.19 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1wfj s PRO 130 CO -0.02 -0.31 1.59 0.45 0.04 0.00 0.00 177.00 178.75 1wfj s SER 131 N -1.79 6.54 0.00 6.66 0.15 -1.25 -4.80 113.70 119.20 1wfj s SER 131 Ca 0.63 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wfj s SER 131 Cb -0.19 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1wfj s SER 131 CO 0.23 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.82 1wfj n GLY 132 N 6.30 5.30 3.58 9.45 0.00 -1.26 -5.04 105.19 123.51 1wfj n GLY 132 Ca 0.40 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1wfj n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 133 N 4.46 3.25 -0.28 1.61 0.04 -1.26 -4.82 135.00 138.01 1wfj s PRO 133 Ca 0.00 -1.56 -0.24 0.00 0.04 0.00 0.00 61.00 59.24 1wfj s PRO 133 Cb 0.00 -5.39 0.10 0.00 0.04 0.00 0.00 34.50 29.25 1wfj s PRO 133 CO 0.00 -3.09 0.89 0.45 0.04 0.00 0.00 177.00 175.29 1wfj s SER 134 N 5.37 -0.60 -0.30 6.66 0.15 -1.26 -5.16 113.70 118.57 1wfj s SER 134 Ca 0.61 1.13 -0.15 0.00 0.70 0.00 0.00 55.95 58.23 1wfj s SER 134 Cb 0.01 1.16 0.16 0.00 -1.71 0.00 0.00 66.02 65.64 1wfj s SER 134 CO 0.10 -0.19 0.99 -0.55 1.20 0.00 0.00 173.24 174.78 1wfj s SER 135 N 0.46 -0.53 0.00 5.45 0.15 -1.26 -5.09 113.70 112.88 1wfj s SER 135 Ca 0.00 0.79 0.16 0.00 0.70 0.00 0.00 55.95 57.60 1wfj s SER 135 Cb -0.05 1.44 0.13 0.00 -1.71 0.00 0.00 66.02 65.83 1wfj s SER 135 CO -0.05 -0.12 1.00 0.61 1.20 0.00 0.00 173.24 175.88