#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 -6.04 -2.22 1.61 2.88 -1.26 -5.02 113.62 103.57 1wfj n SER 2 Ca 0.00 1.11 -0.03 0.00 -1.33 0.00 0.00 58.87 58.62 1wfj n SER 2 Cb 0.00 -3.81 -0.03 0.00 -0.75 0.00 0.00 64.21 59.62 1wfj n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfj n SER 3 N -3.80 -1.94 0.00 -3.46 2.88 -1.26 -4.68 113.62 101.35 1wfj n SER 3 Ca -0.07 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1wfj n SER 3 Cb 0.53 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.95 1wfj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfj n GLY 4 N 1.24 2.03 1.02 0.46 0.00 -1.26 -4.89 105.19 103.78 1wfj n GLY 4 Ca -0.25 0.42 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1wfj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfj n SER 5 N 2.78 -6.05 -1.31 1.61 2.88 -1.26 -5.02 113.62 107.25 1wfj n SER 5 Ca 0.00 0.52 0.17 0.00 -1.33 0.00 0.00 58.87 58.22 1wfj n SER 5 Cb 0.00 -3.14 -0.06 0.00 -0.75 0.00 0.00 64.21 60.25 1wfj n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfj n SER 6 N -3.45 -7.87 0.00 -3.46 7.64 -1.26 -5.08 113.62 100.13 1wfj n SER 6 Ca -0.01 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1wfj n SER 6 Cb 0.47 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 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 -4.15 -0.75 3.77 0.23 0.00 -1.26 -5.06 105.19 97.98 1wfj n GLY 7 Ca -0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1wfj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 8 N -0.38 0.15 -0.28 1.61 0.04 -1.26 -5.08 135.00 129.80 1wfj s PRO 8 Ca 0.00 -0.08 -0.22 0.00 0.04 0.00 0.00 61.00 60.74 1wfj s PRO 8 Cb 0.00 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1wfj s PRO 8 CO 0.00 -2.79 0.90 -3.38 0.04 0.00 0.00 177.00 171.77 1wfj s HIS 9 N -3.40 -0.65 0.00 0.56 -3.43 -1.26 -4.46 115.29 102.65 1wfj s HIS 9 Ca 0.70 1.47 0.00 0.00 -0.80 0.00 0.00 55.06 56.42 1wfj s HIS 9 Cb -0.09 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1wfj s HIS 9 CO 0.54 -0.32 0.00 0.41 -2.00 0.00 0.00 174.74 173.37 1wfj n GLY 10 N 2.95 -0.49 3.00 -1.38 0.00 -1.19 -3.81 105.19 104.28 1wfj n GLY 10 Ca -0.15 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 0.46 -0.03 2.61 2.01 -0.21 -2.66 115.64 117.82 1wfj s THR 11 Ca 0.00 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1wfj s THR 11 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1wfj s THR 11 CO 0.00 -0.10 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.61 1wfj s LEU 12 N -0.75 3.51 -0.23 4.42 1.98 -0.46 0.78 118.68 127.93 1wfj s LEU 12 Ca -0.03 0.04 0.01 0.00 -2.89 0.00 0.00 54.13 51.25 1wfj s LEU 12 Cb -0.05 -1.94 0.06 0.00 0.66 0.00 0.00 46.19 44.91 1wfj s LEU 12 CO 0.00 0.31 -0.05 -0.70 -1.89 0.00 0.00 176.35 174.02 1wfj s GLU 13 N -1.32 1.62 -0.29 1.98 2.12 -0.73 -1.59 118.70 120.49 1wfj s GLU 13 Ca 0.17 -0.97 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 1wfj s GLU 13 Cb -0.11 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 1wfj s GLU 13 CO 0.07 -0.59 0.16 0.08 -0.54 0.00 0.00 175.26 174.45 1wfj s VAL 14 N 1.41 4.91 -0.70 3.70 1.01 0.18 -0.04 120.40 130.87 1wfj s VAL 14 Ca -0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1wfj s VAL 14 Cb -0.19 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 32.98 1wfj s VAL 14 CO -0.06 0.18 0.58 -0.69 0.00 0.00 0.00 175.10 175.11 1wfj s VAL 15 N 1.69 4.67 -0.83 2.92 1.01 0.31 0.50 120.40 130.66 1wfj s VAL 15 Ca 0.06 -2.57 -0.25 0.00 0.00 0.00 0.00 61.98 59.22 1wfj s VAL 15 Cb -0.16 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1wfj s VAL 15 CO 0.08 -0.93 1.81 -0.22 0.00 0.00 0.00 175.10 175.84 1wfj s LEU 16 N 0.25 3.24 0.00 3.92 2.96 -0.64 -0.65 118.68 127.76 1wfj s LEU 16 Ca 0.16 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1wfj s LEU 16 Cb -0.17 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1wfj s LEU 16 CO -0.05 -2.41 0.16 0.52 -1.32 0.00 0.00 176.35 173.25 1wfj n VAL 17 N 7.46 0.00 -2.23 1.68 0.31 -1.09 0.90 118.33 125.35 1wfj n VAL 17 Ca 0.31 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.00 1wfj n VAL 17 Cb 0.49 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 -0.43 0.00 -3.65 4.52 3.41 -1.08 0.11 113.62 116.50 1wfj n SER 18 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1wfj n SER 18 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.44 -1.76 0.26 7.33 0.00 -0.87 0.11 121.76 125.38 1wfj s ALA 19 Ca 0.00 2.17 -0.00 0.00 0.00 0.00 0.00 51.96 54.13 1wfj s ALA 19 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1wfj s ALA 19 CO 0.00 -0.66 0.46 0.15 0.00 0.00 0.00 175.76 175.71 1wfj s LYS 20 N 2.29 3.51 0.00 0.00 1.02 0.68 -3.43 119.74 123.82 1wfj s LYS 20 Ca -0.07 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1wfj s LYS 20 Cb -0.09 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1wfj s LYS 20 CO -0.18 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 1wfj n GLY 21 N -1.13 4.46 0.00 -3.33 0.00 -1.10 0.12 105.19 104.20 1wfj n GLY 21 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1wfj n GLY 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wfj n LEU 22 N 0.00 0.00 -0.02 0.99 -0.00 -1.26 -4.53 117.00 112.18 1wfj n LEU 22 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 1wfj n LEU 22 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1wfj n LEU 22 CO 0.00 0.00 -0.65 -1.84 -0.00 0.00 0.00 177.39 174.90 1wfj n GLU 23 N 0.00 2.10 -1.66 1.47 0.28 -1.26 -4.62 120.64 116.95 1wfj n GLU 23 Ca 0.00 -0.02 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 1wfj n GLU 23 Cb 0.00 -1.14 0.06 0.00 1.43 0.00 0.00 31.44 31.78 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 -2.04 7.60 0.00 -1.84 2.03 -1.26 -4.73 116.55 116.32 1wfj n ASP 24 Ca -0.06 -3.81 0.00 0.00 0.52 0.00 0.00 54.79 51.44 1wfj n ASP 24 Cb 0.51 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfj n ALA 25 N -0.68 0.00 -1.88 -1.67 0.00 -1.26 -5.03 120.51 109.99 1wfj n ALA 25 Ca 0.58 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.62 1wfj n ALA 25 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1wfj n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wfj s ASP 26 N 0.00 5.26 -0.15 0.00 2.15 -1.26 -4.44 116.67 118.22 1wfj s ASP 26 Ca 0.00 0.92 -0.10 0.00 0.43 0.00 0.00 52.55 53.80 1wfj s ASP 26 Cb 0.00 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 1wfj s ASP 26 CO 0.00 -2.27 0.39 0.12 -0.17 0.00 0.00 175.17 173.23 1wfj s PHE 27 N 9.13 -0.51 -0.43 -5.34 5.36 -1.26 -4.99 117.98 119.94 1wfj s PHE 27 Ca 0.81 1.15 -0.13 0.00 -0.96 0.00 0.00 56.93 57.80 1wfj s PHE 27 Cb -0.18 0.20 0.02 0.00 -0.34 0.00 0.00 43.02 42.72 1wfj s PHE 27 CO 0.27 -0.28 0.57 1.28 -1.46 0.00 0.00 175.22 175.59 1wfj n LEU 28 N 3.77 -7.45 -3.66 6.12 4.32 -1.26 -4.77 117.00 114.06 1wfj n LEU 28 Ca -0.20 0.44 -0.07 0.00 -0.02 0.00 0.00 56.01 56.16 1wfj n LEU 28 Cb 0.56 -3.24 -0.08 0.00 -1.62 0.00 0.00 43.42 39.03 1wfj n LEU 28 CO 0.11 -2.09 0.10 0.21 -1.22 0.00 0.00 177.39 174.50 1wfj s ASN 29 N -2.55 -0.53 -1.06 -1.43 3.84 -1.26 -2.83 114.94 109.12 1wfj s ASN 29 Ca 0.21 1.13 -0.17 0.00 0.21 0.00 0.00 52.86 54.24 1wfj s ASN 29 Cb -0.06 1.42 -0.01 0.00 -0.55 0.00 0.00 41.25 42.06 1wfj s ASN 29 CO 0.72 -0.22 0.77 -3.20 -2.79 0.00 0.00 177.10 172.37 1wfj n ASN 30 N 5.09 -5.54 -3.47 -4.21 5.15 -1.26 -4.97 115.26 106.05 1wfj n ASN 30 Ca -0.13 -0.92 -0.04 0.00 -0.60 0.00 0.00 54.58 52.89 1wfj n ASN 30 Cb 0.51 -3.38 0.01 0.00 -0.53 0.00 0.00 39.78 36.39 1wfj n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfj s MET 31 N -5.58 1.43 -0.53 1.20 0.23 -1.26 -5.09 119.30 109.70 1wfj s MET 31 Ca 0.38 -0.87 0.07 0.00 -1.03 0.00 0.00 55.69 54.24 1wfj s MET 31 Cb -0.14 0.43 0.26 0.00 -1.53 0.00 0.00 34.83 33.85 1wfj s MET 31 CO 0.85 -0.66 0.67 -0.25 -2.03 0.00 0.00 175.02 173.60 1wfj n ASP 32 N -0.93 2.31 -4.80 -1.18 9.92 -1.26 -4.18 116.55 116.43 1wfj n ASP 32 Ca -0.05 -3.15 -0.30 0.00 -0.53 0.00 0.00 54.79 50.76 1wfj n ASP 32 Cb 0.60 -0.65 0.09 0.00 -0.64 0.00 0.00 41.12 40.52 1wfj n ASP 32 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wfj s PRO 33 N -2.03 1.99 -0.04 -0.24 0.04 -1.25 -1.54 135.00 131.93 1wfj s PRO 33 Ca 0.39 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 1wfj s PRO 33 Cb 0.17 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.82 1wfj s PRO 33 CO -0.06 -1.68 0.26 1.52 0.04 0.00 0.00 177.00 177.08 1wfj s TYR 34 N -3.17 -0.17 -0.02 0.56 1.13 -1.14 -0.87 117.35 113.68 1wfj s TYR 34 Ca 0.61 0.32 -0.18 0.00 -1.41 0.00 0.00 57.07 56.42 1wfj s TYR 34 Cb -0.14 0.06 -0.05 0.00 -1.10 0.00 0.00 41.96 40.73 1wfj s TYR 34 CO 0.54 -0.29 0.49 0.08 -2.51 0.00 0.00 175.55 173.87 1wfj s VAL 35 N -0.88 4.99 -0.31 -3.49 1.01 -1.26 -2.93 120.40 117.54 1wfj s VAL 35 Ca -0.10 1.02 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1wfj s VAL 35 Cb -0.05 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.60 1wfj s VAL 35 CO 0.02 0.47 0.05 -1.58 0.00 0.00 0.00 175.10 174.06 1wfj s GLN 36 N -0.43 1.25 0.29 2.72 0.74 -0.66 -1.70 119.66 121.87 1wfj s GLN 36 Ca 0.27 -1.43 -0.29 0.00 0.05 0.00 0.00 55.36 53.95 1wfj s GLN 36 Cb -0.17 -2.66 -0.10 0.00 1.10 0.00 0.00 33.01 31.18 1wfj s GLN 36 CO 0.14 -0.89 1.23 -0.51 -0.55 0.00 0.00 175.29 174.71 1wfj s LEU 37 N 1.24 4.47 -0.05 3.68 2.01 0.33 -2.76 118.68 127.60 1wfj s LEU 37 Ca 0.07 2.49 0.01 0.00 0.01 0.00 0.00 54.13 56.71 1wfj s LEU 37 Cb -0.18 -3.64 0.02 0.00 0.01 0.00 0.00 46.19 42.40 1wfj s LEU 37 CO -0.14 -0.39 -0.05 -0.89 1.01 0.00 0.00 176.35 175.89 1wfj s THR 38 N -0.95 0.62 -0.41 5.49 2.01 0.22 -0.23 115.64 122.40 1wfj s THR 38 Ca 0.48 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1wfj s THR 38 Cb -0.36 -0.64 0.14 0.00 0.01 0.00 0.00 72.50 71.64 1wfj s THR 38 CO 0.46 0.25 0.22 0.00 -0.69 0.00 0.00 174.62 174.87 1wfj n ARG 40 N 3.74 0.00 0.00 0.00 3.00 -1.26 0.46 116.66 122.60 1wfj n ARG 40 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.97 1wfj n ARG 40 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.83 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 0.00 -3.37 0.55 -2.24 -1.26 -4.96 114.28 103.00 1wfj n THR 41 Ca 0.00 -0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 1wfj n THR 41 Cb 0.00 1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.95 4.10 -0.05 -0.78 -0.21 0.17 -5.06 119.66 116.88 1wfj s GLN 42 Ca 0.08 0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.65 1wfj s GLN 42 Cb 0.07 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.48 1wfj s GLN 42 CO 0.15 -0.17 -0.16 0.16 -2.12 0.00 0.00 175.29 173.15 1wfj s ASP 43 N 1.34 2.05 -0.24 5.90 -4.77 -1.26 0.18 116.67 119.88 1wfj s ASP 43 Ca 0.17 -0.34 -0.10 0.00 -3.30 0.00 0.00 52.55 48.99 1wfj s ASP 43 Cb -0.15 -0.68 0.10 0.00 -1.09 0.00 0.00 42.92 41.09 1wfj s ASP 43 CO 0.09 0.12 0.53 -1.10 0.70 0.00 0.00 175.17 175.51 1wfj s GLN 44 N 0.22 0.47 0.35 2.11 -0.21 0.68 -5.00 119.66 118.28 1wfj s GLN 44 Ca -0.07 1.18 0.06 0.00 0.02 0.00 0.00 55.36 56.54 1wfj s GLN 44 Cb -0.13 0.45 -0.07 0.00 1.00 0.00 0.00 33.01 34.26 1wfj s GLN 44 CO 0.03 -0.21 0.01 -1.59 -2.12 0.00 0.00 175.29 171.41 1wfj s LYS 45 N 2.42 1.75 0.45 2.91 -2.85 -1.26 0.12 119.74 123.28 1wfj s LYS 45 Ca -0.05 -1.96 0.07 0.00 -1.00 0.00 0.00 55.97 53.02 1wfj s LYS 45 Cb -0.11 -1.23 -0.02 0.00 -2.06 0.00 0.00 37.83 34.42 1wfj s LYS 45 CO -0.16 -0.08 0.30 0.45 0.10 0.00 0.00 175.35 175.96 1wfj s SER 46 N -3.56 4.69 1.26 0.03 0.15 -0.69 -4.98 113.70 110.59 1wfj s SER 46 Ca 0.35 -1.02 -0.19 0.00 0.70 0.00 0.00 55.95 55.79 1wfj s SER 46 Cb 0.08 -0.26 0.29 0.00 -1.71 0.00 0.00 66.02 64.42 1wfj s SER 46 CO 0.16 -0.73 0.65 0.59 1.20 0.00 0.00 173.24 175.11 1wfj n ASN 47 N -1.48 -3.59 -4.83 5.45 3.02 -1.26 -4.57 115.26 108.00 1wfj n ASN 47 Ca 0.00 -0.64 -0.38 0.00 -0.03 0.00 0.00 54.58 53.53 1wfj n ASN 47 Cb 0.64 -0.90 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 1wfj n ASN 47 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1wfj s VAL 48 N -2.10 4.93 -1.07 2.41 -7.23 -1.26 -4.57 120.40 111.51 1wfj s VAL 48 Ca 0.53 0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 61.41 1wfj s VAL 48 Cb -0.10 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.08 1wfj s VAL 48 CO 0.45 0.53 1.71 0.00 -0.31 0.00 0.00 175.10 177.49 1wfj s ALA 49 N -1.14 2.40 -0.02 1.32 0.00 -0.05 -4.93 121.76 119.35 1wfj s ALA 49 Ca 0.27 -2.16 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 1wfj s ALA 49 Cb -0.17 -4.58 -0.06 0.00 0.00 0.00 0.00 23.12 18.30 1wfj s ALA 49 CO 0.16 -4.12 1.70 -1.21 0.00 0.00 0.00 175.76 172.29 1wfj s GLU 50 N 5.61 4.18 -0.49 0.00 2.02 -1.26 -3.75 118.70 125.02 1wfj s GLU 50 Ca 0.57 2.28 -0.22 0.00 0.02 0.00 0.00 54.97 57.62 1wfj s GLU 50 Cb -0.01 -3.96 0.03 0.00 0.10 0.00 0.00 34.13 30.29 1wfj s GLU 50 CO -0.01 -0.85 0.54 0.41 0.02 0.00 0.00 175.26 175.38 1wfj n GLY 51 N 4.18 -0.27 0.02 -1.39 0.00 -1.26 -4.89 105.19 101.57 1wfj n GLY 51 Ca 0.17 0.82 -0.02 0.00 0.00 0.00 0.00 46.02 46.99 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 -0.89 2.56 0.00 1.61 2.81 -1.25 -5.13 117.12 116.83 1wfj n MET 52 Ca -0.14 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1wfj n MET 52 Cb 0.58 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 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 0.56 1.55 3.03 0.00 -1.26 -4.27 105.19 107.69 1wfj n GLY 53 Ca -0.07 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 2.03 -2.89 2.61 -2.24 -1.13 -4.17 114.28 108.48 1wfj n THR 54 Ca 0.00 -1.03 -0.13 0.00 -2.27 0.00 0.00 64.05 60.62 1wfj n THR 54 Cb 0.00 -0.45 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.09 -0.21 -2.44 4.28 -2.24 -1.25 -2.73 114.28 109.77 1wfj n THR 55 Ca 0.25 -2.34 -0.42 0.00 -2.27 0.00 0.00 64.05 59.26 1wfj n THR 55 Cb 1.01 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.01 4.37 0.04 -0.78 0.04 -1.22 -4.80 135.00 132.66 1wfj s PRO 56 Ca 0.32 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1wfj s PRO 56 Cb 0.22 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1wfj s PRO 56 CO -0.19 -0.41 -0.07 -2.00 0.04 0.00 0.00 177.00 174.37 1wfj s GLU 57 N 1.99 2.44 0.00 4.56 2.12 -1.26 -2.06 118.70 126.48 1wfj s GLU 57 Ca 0.57 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1wfj s GLU 57 Cb -0.26 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1wfj s GLU 57 CO 0.24 0.57 0.00 0.91 -0.54 0.00 0.00 175.26 176.43 1wfj n TRP 58 N 1.18 0.00 -3.48 5.30 8.01 0.30 -4.92 117.44 123.83 1wfj n TRP 58 Ca -0.14 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.84 1wfj n TRP 58 Cb 0.52 0.20 0.08 0.00 -2.01 0.00 0.00 31.31 30.10 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 -2.76 -5.36 -4.79 -0.99 3.02 0.26 -4.97 115.26 99.67 1wfj n ASN 59 Ca 0.00 -0.51 -0.22 0.00 -0.03 0.00 0.00 54.58 53.82 1wfj n ASN 59 Cb 0.29 -4.70 0.09 0.00 -0.61 0.00 0.00 39.78 34.86 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 -6.05 1.86 -0.07 3.52 0.41 -0.08 -4.89 118.70 113.40 1wfj s GLU 60 Ca 0.45 -1.32 -0.03 0.00 -0.41 0.00 0.00 54.97 53.66 1wfj s GLU 60 Cb -0.20 -2.44 0.04 0.00 -1.78 0.00 0.00 34.13 29.75 1wfj s GLU 60 CO 0.67 -1.27 0.13 0.99 -0.49 0.00 0.00 175.26 175.29 1wfj s THR 61 N -2.99 -0.16 -0.06 3.63 2.01 -1.26 -1.62 115.64 115.20 1wfj s THR 61 Ca 0.65 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.99 1wfj s THR 61 Cb -0.05 -0.24 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1wfj s THR 61 CO 0.43 0.12 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.93 1wfj s PHE 62 N 1.82 1.98 -0.00 4.92 0.08 0.18 -4.95 117.98 122.01 1wfj s PHE 62 Ca -0.02 -0.67 -0.00 0.00 0.12 0.00 0.00 56.93 56.37 1wfj s PHE 62 Cb -0.12 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1wfj s PHE 62 CO -0.05 -0.25 0.08 0.42 -0.10 0.00 0.00 175.22 175.31 1wfj s ILE 63 N 0.19 4.70 -0.08 0.64 -1.09 -1.26 0.49 121.20 124.80 1wfj s ILE 63 Ca -0.09 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1wfj s ILE 63 Cb -0.14 -3.15 0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1wfj s ILE 63 CO 0.04 0.34 0.15 -0.36 -1.23 0.00 0.00 174.94 173.89 1wfj s PHE 64 N -1.20 -0.17 0.13 3.97 0.08 -0.62 -4.97 117.98 115.20 1wfj s PHE 64 Ca 0.23 0.56 -0.31 0.00 0.12 0.00 0.00 56.93 57.53 1wfj s PHE 64 Cb -0.12 -0.22 -0.10 0.00 -0.57 0.00 0.00 43.02 42.01 1wfj s PHE 64 CO 0.14 -0.24 1.75 0.99 -0.10 0.00 0.00 175.22 177.76 1wfj s THR 65 N 1.98 2.57 0.05 0.64 2.01 -1.26 -1.35 115.64 120.27 1wfj s THR 65 Ca -0.00 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1wfj s THR 65 Cb -0.12 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1wfj s THR 65 CO -0.06 0.00 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.14 1wfj s VAL 66 N 2.32 3.79 0.12 3.82 1.01 -1.09 -4.92 120.40 125.45 1wfj s VAL 66 Ca 0.77 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wfj s VAL 66 Cb -0.45 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1wfj s VAL 66 CO 0.34 0.26 0.00 -1.20 0.00 0.00 0.00 175.10 174.50 1wfj n SER 67 N 1.09 -1.05 -3.80 3.32 7.64 -1.26 -3.15 113.62 116.41 1wfj n SER 67 Ca -0.13 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 1wfj n SER 67 Cb 0.52 1.32 -0.11 0.00 -1.01 0.00 0.00 64.21 64.94 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 -1.26 0.42 0.00 1.43 -1.05 -1.26 -4.65 118.70 112.34 1wfj s GLU 68 Ca 0.00 0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 1wfj s GLU 68 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1wfj s GLU 68 CO 0.00 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.54 1wfj n GLY 69 N 2.28 1.83 3.55 -3.83 0.00 -1.26 -4.92 105.19 102.84 1wfj n GLY 69 Ca -0.17 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1wfj n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfj n THR 70 N 0.00 -0.06 -1.35 2.61 -1.04 -1.26 -4.61 114.28 108.56 1wfj n THR 70 Ca 0.00 -0.70 0.01 0.00 -2.04 0.00 0.00 64.05 61.31 1wfj n THR 70 Cb 0.00 -2.55 0.01 0.00 -1.82 0.00 0.00 70.33 65.97 1wfj n THR 70 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wfj n THR 71 N 7.94 0.25 -3.62 12.58 -2.24 -1.26 -4.79 114.28 123.14 1wfj n THR 71 Ca 0.40 -0.28 -0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1wfj n THR 71 Cb 0.49 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1wfj n THR 71 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wfj s GLU 72 N -0.34 0.32 -0.02 -0.78 -1.05 -1.26 -1.47 118.70 114.10 1wfj s GLU 72 Ca 0.03 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1wfj s GLU 72 Cb 0.02 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1wfj s GLU 72 CO 0.00 -0.08 0.01 -1.17 0.95 0.00 0.00 175.26 174.97 1wfj s LEU 73 N -0.65 3.58 -0.26 1.83 2.96 0.86 -4.85 118.68 122.17 1wfj s LEU 73 Ca 0.04 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1wfj s LEU 73 Cb -0.02 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1wfj s LEU 73 CO -0.06 0.31 0.10 -0.54 -1.32 0.00 0.00 176.35 174.83 1wfj s LYS 74 N -1.40 3.70 -0.35 1.98 3.01 -0.14 -0.85 119.74 125.70 1wfj s LYS 74 Ca 0.18 -0.45 -0.01 0.00 -1.01 0.00 0.00 55.97 54.68 1wfj s LYS 74 Cb -0.12 -3.40 0.08 0.00 -1.01 0.00 0.00 37.83 33.39 1wfj s LYS 74 CO 0.09 -0.19 0.08 0.00 0.51 0.00 0.00 175.35 175.83 1wfj s ALA 75 N 1.64 2.95 -0.12 5.17 0.00 -0.84 0.69 121.76 131.25 1wfj s ALA 75 Ca 0.06 -2.21 -0.05 0.00 0.00 0.00 0.00 51.96 49.76 1wfj s ALA 75 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1wfj s ALA 75 CO 0.05 -1.55 0.08 0.15 0.00 0.00 0.00 175.76 174.49 1wfj s LYS 76 N 1.13 3.42 -0.08 0.00 1.02 -1.11 -0.49 119.74 123.63 1wfj s LYS 76 Ca 0.03 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1wfj s LYS 76 Cb -0.21 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1wfj s LYS 76 CO -0.04 0.64 -0.00 0.42 -0.92 0.00 0.00 175.35 175.44 1wfj s ILE 77 N -0.65 4.25 0.00 2.17 1.09 0.23 -1.66 121.20 126.63 1wfj s ILE 77 Ca 0.12 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1wfj s ILE 77 Cb -0.12 -2.79 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 1wfj s ILE 77 CO 0.02 0.60 0.00 0.49 -0.10 0.00 0.00 174.94 175.95 1wfj n PHE 78 N 2.11 -0.04 -5.22 3.97 3.01 -1.15 0.13 117.46 120.27 1wfj n PHE 78 Ca -0.18 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.96 1wfj n PHE 78 Cb 0.54 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.85 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wfj s ASP 79 N -0.31 3.22 0.34 4.37 2.15 -1.26 -2.87 116.67 122.30 1wfj s ASP 79 Ca 0.00 -0.44 0.11 0.00 0.43 0.00 0.00 52.55 52.65 1wfj s ASP 79 Cb 0.00 -0.62 1.05 0.00 -0.30 0.00 0.00 42.92 43.05 1wfj s ASP 79 CO 0.00 0.29 1.59 0.07 -0.17 0.00 0.00 175.17 176.95 1wfj h LYS 80 N 5.70 0.05 -1.89 4.34 2.10 -1.61 1.36 116.57 126.62 1wfj h LYS 80 Ca -0.39 -0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 57.86 1wfj h LYS 80 Cb 1.15 -0.01 -0.15 0.00 -0.90 0.00 0.00 32.23 32.32 1wfj h LYS 80 CO 0.48 0.03 0.26 -3.47 -2.00 0.00 0.00 179.45 174.75 1wfj n ASP 81 N -5.33 6.25 -3.59 7.07 2.03 -1.26 -4.81 116.55 116.91 1wfj n ASP 81 Ca 0.30 -3.04 -0.17 0.00 0.52 0.00 0.00 54.79 52.41 1wfj n ASP 81 Cb 1.01 -1.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.13 1wfj n ASP 81 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wfj s VAL 82 N -1.69 0.02 -0.13 5.18 1.01 0.47 -5.12 120.40 120.14 1wfj s VAL 82 Ca 0.52 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1wfj s VAL 82 Cb 0.33 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1wfj s VAL 82 CO -0.13 -0.07 0.11 -0.83 0.00 0.00 0.00 175.10 174.18 1wfj s GLY 83 N -1.27 2.08 0.42 4.51 0.00 -1.26 -4.65 107.32 107.15 1wfj s GLY 83 Ca -0.11 -0.68 0.36 0.00 0.00 0.00 0.00 44.72 44.28 1wfj s GLY 83 CO 0.08 -0.32 1.31 -1.30 0.00 0.00 0.00 173.10 172.86 1wfj n THR 84 N 2.28 -0.09 -2.76 0.90 -2.24 -1.26 0.89 114.28 112.00 1wfj n THR 84 Ca -0.19 1.37 -0.36 0.00 -2.27 0.00 0.00 64.05 62.59 1wfj n THR 84 Cb 0.54 -2.26 -0.00 0.00 -2.10 0.00 0.00 70.33 66.51 1wfj n THR 84 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfj n GLU 85 N -3.95 4.66 0.02 -0.78 0.28 -1.26 -4.60 120.64 115.01 1wfj n GLU 85 Ca 0.36 -4.74 0.00 0.00 -0.16 0.00 0.00 57.16 52.62 1wfj n GLU 85 Cb 1.53 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1wfj n GLU 85 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wfj n ASP 86 N -0.10 -0.10 -3.28 -1.84 2.03 0.26 -5.12 116.55 108.41 1wfj n ASP 86 Ca 0.41 0.07 0.03 0.00 0.52 0.00 0.00 54.79 55.82 1wfj n ASP 86 Cb 0.31 0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 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 -3.71 -0.92 -0.41 1.67 2.15 -1.25 -5.03 116.67 109.17 1wfj s ASP 87 Ca 0.00 0.80 -0.21 0.00 0.43 0.00 0.00 52.55 53.57 1wfj s ASP 87 Cb 0.00 1.86 0.02 0.00 -0.30 0.00 0.00 42.92 44.50 1wfj s ASP 87 CO 0.00 -0.17 0.65 0.00 -0.17 0.00 0.00 175.17 175.48 1wfj s ALA 88 N 2.81 3.38 0.55 3.66 0.00 -1.26 -4.48 121.76 126.42 1wfj s ALA 88 Ca 0.06 -1.06 0.49 0.00 0.00 0.00 0.00 51.96 51.46 1wfj s ALA 88 Cb -0.11 -3.27 1.69 0.00 0.00 0.00 0.00 23.12 21.43 1wfj s ALA 88 CO -0.17 -1.64 1.53 1.33 0.00 0.00 0.00 175.76 176.81 1wfj n VAL 89 N 5.79 0.00 -3.99 0.00 0.24 0.34 -4.68 118.33 116.02 1wfj n VAL 89 Ca -0.01 1.46 0.02 0.00 -2.04 0.00 0.00 64.34 63.77 1wfj n VAL 89 Cb 0.48 -2.44 0.01 0.00 -1.47 0.00 0.00 33.84 30.42 1wfj n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfj n GLY 90 N -1.91 0.29 3.70 7.63 0.00 -1.07 -4.72 105.19 109.12 1wfj n GLY 90 Ca 0.44 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 1.61 -0.03 1.61 1.03 0.22 0.74 118.70 121.86 1wfj s GLU 91 Ca 0.16 -0.80 -0.14 0.00 0.03 0.00 0.00 54.97 54.22 1wfj s GLU 91 Cb -0.00 0.60 0.02 0.00 -0.80 0.00 0.00 34.13 33.95 1wfj s GLU 91 CO -0.01 -0.73 0.30 0.00 -1.33 0.00 0.00 175.26 173.50 1wfj s ALA 92 N -3.86 -0.77 -0.33 -0.84 0.00 0.36 -0.41 121.76 115.91 1wfj s ALA 92 Ca 0.07 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1wfj s ALA 92 Cb -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 1wfj s ALA 92 CO -0.00 -0.24 0.17 0.99 0.00 0.00 0.00 175.76 176.68 1wfj s THR 93 N -1.09 4.68 -0.45 0.00 2.01 -1.26 -1.99 115.64 117.55 1wfj s THR 93 Ca -0.11 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1wfj s THR 93 Cb -0.05 -3.44 0.11 0.00 0.01 0.00 0.00 72.50 69.14 1wfj s THR 93 CO 0.03 -0.01 0.30 -0.63 -0.69 0.00 0.00 174.62 173.63 1wfj s ILE 94 N 1.61 3.95 0.20 1.82 1.01 -0.03 -4.94 121.20 124.83 1wfj s ILE 94 Ca 0.04 -1.83 -0.30 0.00 0.00 0.00 0.00 60.65 58.56 1wfj s ILE 94 Cb -0.18 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 1wfj s ILE 94 CO 0.07 -0.73 1.11 -2.16 0.00 0.00 0.00 174.94 173.23 1wfj s PRO 95 N 1.31 4.59 -0.04 2.79 0.04 -1.26 0.30 135.00 142.72 1wfj s PRO 95 Ca 0.06 1.75 0.20 0.00 0.04 0.00 0.00 61.00 63.05 1wfj s PRO 95 Cb -0.25 -3.26 0.66 0.00 0.04 0.00 0.00 34.50 31.70 1wfj s PRO 95 CO -0.01 0.09 1.56 1.28 0.04 0.00 0.00 177.00 179.95 1wfj n LEU 96 N 2.15 4.17 0.02 -3.56 4.77 -0.54 -4.21 117.00 119.79 1wfj n LEU 96 Ca 0.02 -2.09 -0.10 0.00 -0.03 0.00 0.00 56.01 53.80 1wfj n LEU 96 Cb 0.46 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1wfj n LEU 96 CO 0.54 0.89 0.41 -0.08 -1.33 0.00 0.00 177.39 177.82 1wfj h GLU 97 N 4.13 0.53 -0.00 3.23 4.81 -1.92 -0.17 114.58 125.19 1wfj h GLU 97 Ca 0.00 -0.38 -0.16 0.00 -0.13 0.00 0.00 59.36 58.69 1wfj h GLU 97 Cb 1.15 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1wfj h GLU 97 CO 0.09 1.00 -0.76 -1.00 -0.73 0.00 0.00 179.01 177.61 1wfj h PRO 98 N 0.38 0.04 0.00 0.92 0.13 -1.93 -2.30 132.00 129.25 1wfj h PRO 98 Ca -0.01 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1wfj h PRO 98 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1wfj h PRO 98 CO 0.12 0.78 -0.92 -0.24 -0.23 0.00 0.00 178.00 177.50 1wfj h VAL 99 N 0.03 1.63 0.00 1.56 3.04 -1.78 0.11 116.25 120.84 1wfj h VAL 99 Ca -0.01 -3.20 -0.00 0.00 -1.01 0.00 0.00 66.70 62.47 1wfj h VAL 99 Cb 1.34 2.74 -0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1wfj h VAL 99 CO 0.10 0.91 -0.02 -0.26 -1.01 0.00 0.00 177.57 177.29 1wfj h PHE 100 N 0.00 0.00 0.04 3.17 0.04 -0.93 1.54 116.94 120.80 1wfj h PHE 100 Ca -0.01 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.38 1wfj h PHE 100 Cb 1.67 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.77 1wfj h PHE 100 CO 0.00 0.02 -2.18 0.28 -0.60 0.00 0.00 178.31 175.83 1wfj n VAL 101 N -3.11 1.59 0.06 -0.55 0.31 -0.87 -4.45 118.33 111.30 1wfj n VAL 101 Ca 0.03 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.74 1wfj n VAL 101 Cb 0.47 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.56 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wfj h GLU 102 N -0.34 0.19 0.00 5.55 5.08 -0.85 -3.48 114.58 120.73 1wfj h GLU 102 Ca -0.53 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 1wfj h GLU 102 Cb 1.79 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1wfj h GLU 102 CO -0.13 1.04 0.00 0.41 -1.00 0.00 0.00 179.01 179.33 1wfj n GLY 103 N 1.59 1.78 3.63 -3.84 0.00 0.53 -4.98 105.19 103.90 1wfj n GLY 103 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.23 -0.79 -0.03 1.61 1.04 -1.22 -2.57 113.70 109.52 1wfj s SER 104 Ca 0.00 1.46 0.01 0.00 0.48 0.00 0.00 55.95 57.89 1wfj s SER 104 Cb 0.00 1.45 0.02 0.00 0.10 0.00 0.00 66.02 67.59 1wfj s SER 104 CO 0.00 -0.25 -0.01 -0.63 0.98 0.00 0.00 173.24 173.33 1wfj s ILE 105 N 0.64 0.25 1.00 -1.02 -1.09 0.61 -4.82 121.20 116.78 1wfj s ILE 105 Ca -0.02 0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.27 1wfj s ILE 105 Cb -0.05 -0.31 0.19 0.00 -1.58 0.00 0.00 42.46 40.71 1wfj s ILE 105 CO -0.03 0.15 1.18 -2.16 -1.23 0.00 0.00 174.94 172.84 1wfj s PRO 106 N 0.84 0.39 -0.53 2.79 0.04 -1.26 -0.79 135.00 136.47 1wfj s PRO 106 Ca -0.09 0.00 -0.28 0.00 0.04 0.00 0.00 61.00 60.68 1wfj s PRO 106 Cb -0.12 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1wfj s PRO 106 CO -0.01 -2.65 1.48 -1.25 0.04 0.00 0.00 177.00 174.61 1wfj s PRO 107 N -5.48 3.27 0.15 0.56 0.04 -1.26 -4.29 135.00 127.99 1wfj s PRO 107 Ca 0.68 0.58 0.07 0.00 0.04 0.00 0.00 61.00 62.37 1wfj s PRO 107 Cb -0.10 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1wfj s PRO 107 CO 0.54 -1.97 -0.01 0.99 0.04 0.00 0.00 177.00 176.59 1wfj s THR 108 N 6.32 3.76 -0.69 1.26 2.01 -1.14 -4.75 115.64 122.40 1wfj s THR 108 Ca 0.56 -1.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1wfj s THR 108 Cb -0.12 -2.85 0.05 0.00 0.01 0.00 0.00 72.50 69.59 1wfj s THR 108 CO 0.26 -0.03 1.14 0.00 -0.69 0.00 0.00 174.62 175.30 1wfj s ALA 109 N -1.56 2.92 0.04 7.40 0.00 -1.25 -2.54 121.76 126.75 1wfj s ALA 109 Ca 0.26 -1.52 -0.27 0.00 0.00 0.00 0.00 51.96 50.43 1wfj s ALA 109 Cb -0.10 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1wfj s ALA 109 CO 0.18 -3.03 0.86 0.71 0.00 0.00 0.00 175.76 174.49 1wfj s TYR 110 N 4.99 3.71 -0.10 0.00 2.02 0.57 -4.71 117.35 123.83 1wfj s TYR 110 Ca 0.30 1.59 -0.36 0.00 -0.37 0.00 0.00 57.07 58.23 1wfj s TYR 110 Cb -0.12 -2.96 -0.13 0.00 -0.40 0.00 0.00 41.96 38.35 1wfj s TYR 110 CO 0.14 0.16 1.76 0.09 -1.57 0.00 0.00 175.55 176.13 1wfj n ASN 111 N 3.22 2.97 -4.41 2.29 4.13 -1.26 -0.56 115.26 121.65 1wfj n ASN 111 Ca 0.01 1.03 -0.38 0.00 1.68 0.00 0.00 54.58 56.92 1wfj n ASN 111 Cb 0.50 -1.30 -0.12 0.00 -1.54 0.00 0.00 39.78 37.32 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 3.26 4.33 0.42 2.41 1.01 0.16 -4.41 120.40 127.58 1wfj s VAL 112 Ca 0.92 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1wfj s VAL 112 Cb -0.82 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1wfj s VAL 112 CO 0.53 0.13 0.05 0.68 0.00 0.00 0.00 175.10 176.49 1wfj s VAL 113 N 1.58 1.99 -0.35 2.92 -7.23 0.45 0.11 120.40 119.85 1wfj s VAL 113 Ca 0.04 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1wfj s VAL 113 Cb -0.17 -2.91 0.14 0.00 0.56 0.00 0.00 36.38 34.00 1wfj s VAL 113 CO 0.04 0.00 0.21 -0.75 -0.31 0.00 0.00 175.10 174.30 1wfj s LYS 114 N -3.77 0.58 0.00 4.82 2.47 0.77 0.69 119.74 125.29 1wfj s LYS 114 Ca 0.34 -1.35 0.00 0.00 -1.56 0.00 0.00 55.97 53.39 1wfj s LYS 114 Cb 0.08 -1.34 0.00 0.00 -1.46 0.00 0.00 37.83 35.11 1wfj s LYS 114 CO 0.18 -1.21 0.00 -0.25 0.16 0.00 0.00 175.35 174.23 1wfj n ASP 115 N 4.02 0.00 0.00 1.43 8.00 -1.26 -2.76 116.55 125.98 1wfj n ASP 115 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1wfj n ASP 115 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1wfj n GLU 116 N -2.00 0.00 -3.23 -1.24 0.28 -1.26 -5.14 120.64 108.05 1wfj n GLU 116 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1wfj n GLU 116 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1wfj n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wfj s GLU 117 N 0.00 4.26 -0.29 3.44 2.02 -1.11 -4.99 118.70 122.03 1wfj s GLU 117 Ca 0.00 0.78 -0.29 0.00 0.02 0.00 0.00 54.97 55.48 1wfj s GLU 117 Cb 0.00 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.98 1wfj s GLU 117 CO 0.00 0.58 1.06 -0.47 0.02 0.00 0.00 175.26 176.45 1wfj s TYR 118 N -0.92 3.22 -0.08 1.61 5.04 -1.26 0.27 117.35 125.23 1wfj s TYR 118 Ca 0.30 1.29 0.04 0.00 -2.44 0.00 0.00 57.07 56.26 1wfj s TYR 118 Cb -0.20 -3.54 -0.25 0.00 0.35 0.00 0.00 41.96 38.33 1wfj s TYR 118 CO 0.19 -0.66 0.54 1.63 -1.34 0.00 0.00 175.55 175.90 1wfj n LYS 119 N 6.68 0.69 0.00 4.97 4.76 0.12 -4.77 118.16 130.61 1wfj n LYS 119 Ca 0.12 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1wfj n LYS 119 Cb 0.47 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 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 1.75 -0.64 3.07 0.72 0.00 -0.88 -4.19 105.19 105.03 1wfj n GLY 120 Ca -0.23 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.56 0.49 -0.04 1.61 -1.05 0.32 -0.66 118.70 118.81 1wfj s GLU 121 Ca 0.00 -0.66 0.05 0.00 -0.15 0.00 0.00 54.97 54.22 1wfj s GLU 121 Cb 0.00 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 1wfj s GLU 121 CO 0.00 -0.11 -0.20 -1.50 0.95 0.00 0.00 175.26 174.40 1wfj s ILE 122 N -2.07 1.64 -0.23 1.83 2.07 0.28 -0.23 121.20 124.49 1wfj s ILE 122 Ca -0.10 -0.86 -0.09 0.00 -1.41 0.00 0.00 60.65 58.20 1wfj s ILE 122 Cb -0.05 -1.39 -0.04 0.00 0.13 0.00 0.00 42.46 41.11 1wfj s ILE 122 CO -0.02 0.47 0.11 0.26 -1.91 0.00 0.00 174.94 173.84 1wfj s TRP 123 N -0.20 3.21 -0.19 3.50 0.52 0.31 0.21 118.94 126.30 1wfj s TRP 123 Ca 0.01 -0.02 -0.14 0.00 0.02 0.00 0.00 56.10 55.97 1wfj s TRP 123 Cb -0.11 -2.23 0.06 0.00 -1.15 0.00 0.00 33.47 30.04 1wfj s TRP 123 CO 0.01 -0.07 0.48 0.08 0.02 0.00 0.00 176.95 177.48 1wfj s VAL 124 N 1.15 -0.01 0.02 4.03 1.01 -1.05 -2.64 120.40 122.90 1wfj s VAL 124 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1wfj s VAL 124 Cb -0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1wfj s VAL 124 CO 0.04 0.02 0.09 0.00 0.00 0.00 0.00 175.10 175.25 1wfj s ALA 125 N 0.93 3.61 -0.04 5.51 0.00 0.17 -2.91 121.76 129.03 1wfj s ALA 125 Ca -0.05 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1wfj s ALA 125 Cb -0.06 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1wfj s ALA 125 CO -0.08 0.71 -0.19 -0.51 0.00 0.00 0.00 175.76 175.69 1wfj s LEU 126 N -1.95 1.97 -0.30 0.00 1.43 0.03 0.11 118.68 119.98 1wfj s LEU 126 Ca 0.25 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1wfj s LEU 126 Cb -0.12 -1.07 0.12 0.00 0.03 0.00 0.00 46.19 45.15 1wfj s LEU 126 CO 0.17 0.19 0.21 -0.44 0.23 0.00 0.00 176.35 176.71 1wfj s SER 127 N -0.12 2.67 0.64 2.29 0.01 0.95 0.22 113.70 120.36 1wfj s SER 127 Ca -0.01 -1.21 -0.14 0.00 1.31 0.00 0.00 55.95 55.90 1wfj s SER 127 Cb -0.11 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 1wfj s SER 127 CO 0.02 -0.40 1.06 0.12 0.41 0.00 0.00 173.24 174.45 1wfj s PHE 128 N 2.05 3.02 -0.35 2.43 5.36 -1.06 -1.78 117.98 127.65 1wfj s PHE 128 Ca 0.11 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1wfj s PHE 128 Cb -0.16 -2.96 0.14 0.00 -0.34 0.00 0.00 43.02 39.70 1wfj s PHE 128 CO -0.30 -1.18 0.22 0.15 -1.46 0.00 0.00 175.22 172.65 1wfj s LYS 129 N -4.46 0.53 0.34 10.12 1.02 0.23 -4.76 119.74 122.77 1wfj s LYS 129 Ca 0.61 -1.27 -0.27 0.00 0.02 0.00 0.00 55.97 55.07 1wfj s LYS 129 Cb -0.15 -1.25 -0.09 0.00 -0.52 0.00 0.00 37.83 35.81 1wfj s LYS 129 CO 0.44 -1.20 1.07 -1.25 -0.92 0.00 0.00 175.35 173.49 1wfj s PRO 130 N 1.14 4.40 -1.16 -1.68 0.04 -1.26 -1.04 135.00 135.43 1wfj s PRO 130 Ca 0.18 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1wfj s PRO 130 Cb -0.22 -2.86 0.01 0.00 0.04 0.00 0.00 34.50 31.47 1wfj s PRO 130 CO -0.01 0.04 2.73 0.43 0.04 0.00 0.00 177.00 180.23 1wfj n SER 131 N 0.54 7.78 0.00 6.66 7.64 -1.25 -4.79 113.62 130.20 1wfj n SER 131 Ca 0.02 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1wfj n SER 131 Cb 0.47 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1wfj n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfj n GLY 132 N 2.22 4.53 3.55 0.23 0.00 -1.26 -5.08 105.19 109.38 1wfj n GLY 132 Ca 0.64 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 3.13 2.93 0.15 1.61 0.04 -1.26 -4.93 135.00 136.67 1wfj s PRO 133 Ca 0.00 0.10 -0.09 0.00 0.04 0.00 0.00 61.00 61.05 1wfj s PRO 133 Cb 0.00 -4.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.17 1wfj s PRO 133 CO 0.00 -2.47 0.26 0.45 0.04 0.00 0.00 177.00 175.28 1wfj s SER 134 N 5.93 0.06 -0.29 6.66 0.15 -1.26 -5.09 113.70 119.87 1wfj s SER 134 Ca 0.51 -0.85 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 1wfj s SER 134 Cb -0.10 0.42 0.13 0.00 -1.71 0.00 0.00 66.02 64.76 1wfj s SER 134 CO 0.16 -0.86 0.27 -0.55 1.20 0.00 0.00 173.24 173.46 1wfj s SER 135 N -2.96 1.87 0.00 5.45 0.15 -1.26 -5.16 113.70 111.79 1wfj s SER 135 Ca 0.16 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1wfj s SER 135 Cb 0.04 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1wfj s SER 135 CO -0.02 -0.39 0.03 0.61 1.20 0.00 0.00 173.24 174.68