#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 6.41 0.16 1.61 1.04 -1.26 -5.06 113.70 116.61 1wfj s SER 2 Ca 0.00 0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 1wfj s SER 2 Cb 0.00 -2.21 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 1wfj s SER 2 CO 0.00 -0.02 0.24 -0.44 0.98 0.00 0.00 173.24 174.01 1wfj s SER 3 N 0.89 0.09 0.00 7.02 0.01 -1.26 -5.14 113.70 115.32 1wfj s SER 3 Ca 0.18 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1wfj s SER 3 Cb -0.14 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1wfj s SER 3 CO 0.07 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1wfj n GLY 4 N -0.20 2.34 3.30 3.44 0.00 -1.26 -5.11 105.19 107.70 1wfj n GLY 4 Ca -0.07 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 -0.51 -0.04 1.61 1.04 -1.26 -5.16 113.70 109.38 1wfj s SER 5 Ca 0.00 0.90 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 1wfj s SER 5 Cb 0.00 0.82 0.10 0.00 0.10 0.00 0.00 66.02 67.03 1wfj s SER 5 CO 0.00 -0.18 0.81 -0.94 0.98 0.00 0.00 173.24 173.91 1wfj s SER 6 N 1.09 -0.49 0.00 7.02 1.04 -1.26 -5.14 113.70 115.97 1wfj s SER 6 Ca -0.07 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1wfj s SER 6 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1wfj s SER 6 CO -0.09 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1wfj n GLY 7 N 0.36 -1.17 3.63 7.32 0.00 -1.26 -4.88 105.19 109.20 1wfj n GLY 7 Ca -0.13 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1wfj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 8 N 0.00 -2.18 -3.64 1.61 -0.04 -1.26 -5.00 135.00 124.49 1wfj n PRO 8 Ca 0.00 -1.88 -0.07 0.00 -0.04 0.00 0.00 63.50 61.51 1wfj n PRO 8 Cb 0.00 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 1wfj n PRO 8 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1wfj s HIS 9 N -3.42 -0.54 0.00 0.54 -3.43 -1.26 -4.33 115.29 102.85 1wfj s HIS 9 Ca 0.72 1.20 0.00 0.00 -0.80 0.00 0.00 55.06 56.18 1wfj s HIS 9 Cb -0.04 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 1wfj s HIS 9 CO 0.53 -0.26 0.00 0.41 -2.00 0.00 0.00 174.74 173.42 1wfj n GLY 10 N 2.87 -0.49 3.29 -1.38 0.00 -0.18 -3.58 105.19 105.72 1wfj n GLY 10 Ca -0.15 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 1.68 -0.10 2.61 2.01 -0.55 0.13 115.64 121.41 1wfj s THR 11 Ca 0.00 -1.68 0.04 0.00 0.31 0.00 0.00 61.69 60.36 1wfj s THR 11 Cb 0.00 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 1wfj s THR 11 CO 0.00 -0.19 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.28 1wfj s LEU 12 N -2.21 2.14 -0.20 4.42 1.98 0.18 -0.58 118.68 124.41 1wfj s LEU 12 Ca 0.09 -0.53 -0.04 0.00 -2.89 0.00 0.00 54.13 50.76 1wfj s LEU 12 Cb -0.08 -1.42 -0.02 0.00 0.66 0.00 0.00 46.19 45.33 1wfj s LEU 12 CO 0.05 0.17 -0.03 -0.70 -1.89 0.00 0.00 176.35 173.95 1wfj s GLU 13 N 0.26 3.50 -0.29 1.98 2.12 -1.05 -0.79 118.70 124.43 1wfj s GLU 13 Ca -0.16 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.61 1wfj s GLU 13 Cb -0.17 -3.01 0.07 0.00 0.26 0.00 0.00 34.13 31.27 1wfj s GLU 13 CO 0.08 -0.06 -0.05 0.08 -0.54 0.00 0.00 175.26 174.77 1wfj s VAL 14 N 1.14 2.40 -0.68 3.70 1.01 0.35 -1.59 120.40 126.73 1wfj s VAL 14 Ca 0.02 -1.71 -0.16 0.00 0.00 0.00 0.00 61.98 60.13 1wfj s VAL 14 Cb -0.15 -2.47 0.16 0.00 0.00 0.00 0.00 36.38 33.92 1wfj s VAL 14 CO 0.00 -0.16 0.67 -0.69 0.00 0.00 0.00 175.10 174.92 1wfj s VAL 15 N 1.10 5.29 -1.05 2.92 1.01 0.36 -0.52 120.40 129.52 1wfj s VAL 15 Ca -0.04 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 59.88 1wfj s VAL 15 Cb -0.20 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1wfj s VAL 15 CO -0.05 -1.00 1.88 -0.22 0.00 0.00 0.00 175.10 175.71 1wfj s LEU 16 N 1.24 3.20 0.00 3.92 2.96 -1.14 -1.42 118.68 127.44 1wfj s LEU 16 Ca 0.12 -1.24 0.00 0.00 -0.22 0.00 0.00 54.13 52.79 1wfj s LEU 16 Cb -0.20 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1wfj s LEU 16 CO -0.02 -2.64 0.22 0.52 -1.32 0.00 0.00 176.35 173.11 1wfj n VAL 17 N 7.65 0.00 -3.41 1.68 0.31 -1.12 0.58 118.33 124.03 1wfj n VAL 17 Ca 0.42 0.66 -0.02 0.00 -0.01 0.00 0.00 64.34 65.39 1wfj n VAL 17 Cb 0.47 -1.52 -0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.25 -0.21 -3.68 4.52 3.41 -1.11 -0.89 113.62 115.41 1wfj n SER 18 Ca 0.00 -1.22 -0.15 0.00 -0.26 0.00 0.00 58.87 57.25 1wfj n SER 18 Cb 0.00 0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.48 -1.19 0.03 7.33 0.00 -0.82 0.13 121.76 125.78 1wfj s ALA 19 Ca 0.03 0.91 0.07 0.00 0.00 0.00 0.00 51.96 52.97 1wfj s ALA 19 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1wfj s ALA 19 CO 0.02 -0.28 -0.20 0.15 0.00 0.00 0.00 175.76 175.45 1wfj s LYS 20 N -0.83 1.35 0.48 0.00 3.01 0.09 -3.25 119.74 120.60 1wfj s LYS 20 Ca -0.09 -0.88 0.07 0.00 -1.01 0.00 0.00 55.97 54.06 1wfj s LYS 20 Cb -0.03 -1.43 0.01 0.00 -1.01 0.00 0.00 37.83 35.37 1wfj s LYS 20 CO 0.05 0.37 0.44 0.20 0.51 0.00 0.00 175.35 176.92 1wfj s GLY 21 N -1.06 2.17 0.15 -3.33 0.00 -1.06 -1.06 107.32 103.13 1wfj s GLY 21 Ca 0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 1wfj s GLY 21 CO 0.01 -1.78 0.13 1.04 0.00 0.00 0.00 173.10 172.50 1wfj n LEU 22 N -1.71 0.00 -0.00 0.66 7.99 -1.23 -4.91 117.00 117.79 1wfj n LEU 22 Ca 0.03 -0.13 0.01 0.00 -0.01 0.00 0.00 56.01 55.91 1wfj n LEU 22 Cb 0.63 -0.12 -0.01 0.00 -0.11 0.00 0.00 43.42 43.81 1wfj n LEU 22 CO 0.41 -1.23 0.02 -0.62 -1.51 0.00 0.00 177.39 174.46 1wfj n GLU 23 N -1.99 6.05 -2.78 3.23 1.02 -1.26 -4.71 120.64 120.19 1wfj n GLU 23 Ca 0.02 -0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.96 1wfj n GLU 23 Cb 0.07 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1wfj n GLU 23 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfj n ASP 24 N -0.96 2.18 0.00 1.62 -0.08 -1.26 -5.06 116.55 112.99 1wfj n ASP 24 Ca 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1wfj n ASP 24 Cb 0.02 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 42.94 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfj n ALA 25 N -0.07 0.00 -3.20 -1.67 0.00 -1.26 -5.12 120.51 109.18 1wfj n ALA 25 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.44 1wfj n ALA 25 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 1wfj n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wfj n ASP 26 N 0.00 -1.31 -3.69 0.00 2.03 -1.26 -5.04 116.55 107.29 1wfj n ASP 26 Ca 0.00 -2.55 -0.12 0.00 0.52 0.00 0.00 54.79 52.64 1wfj n ASP 26 Cb 0.00 0.11 -0.12 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.23 -0.47 -1.03 -0.67 5.36 -1.26 -4.86 117.98 115.28 1wfj s PHE 27 Ca 0.32 1.03 -0.04 0.00 -0.96 0.00 0.00 56.93 57.29 1wfj s PHE 27 Cb 0.04 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1wfj s PHE 27 CO -0.16 -0.33 0.48 1.28 -1.46 0.00 0.00 175.22 175.03 1wfj n LEU 28 N 4.89 -2.43 -4.41 6.12 4.32 -1.26 -4.70 117.00 119.52 1wfj n LEU 28 Ca -0.14 -0.22 -0.36 0.00 -0.02 0.00 0.00 56.01 55.27 1wfj n LEU 28 Cb 0.51 -2.18 -0.13 0.00 -1.62 0.00 0.00 43.42 40.01 1wfj n LEU 28 CO 0.06 0.21 -0.32 0.21 -1.22 0.00 0.00 177.39 176.33 1wfj s ASN 29 N -2.88 4.83 -0.55 -1.43 3.84 -1.26 -2.46 114.94 115.04 1wfj s ASN 29 Ca 0.24 -0.25 -0.27 0.00 0.21 0.00 0.00 52.86 52.79 1wfj s ASN 29 Cb -0.10 -1.85 0.04 0.00 -0.55 0.00 0.00 41.25 38.79 1wfj s ASN 29 CO 0.29 0.00 0.65 0.59 -2.79 0.00 0.00 177.10 175.84 1wfj n ASN 30 N 4.67 -5.50 -3.49 -4.21 4.13 -1.26 -4.96 115.26 104.64 1wfj n ASN 30 Ca -0.17 -0.33 -0.01 0.00 1.68 0.00 0.00 54.58 55.75 1wfj n ASN 30 Cb 0.51 -1.92 0.02 0.00 -1.54 0.00 0.00 39.78 36.85 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 1wfj n MET 31 N -0.85 0.47 -3.26 3.52 0.00 -1.26 -5.08 117.12 110.65 1wfj n MET 31 Ca -0.14 -1.20 -0.25 0.00 0.00 0.00 0.00 57.70 56.11 1wfj n MET 31 Cb 0.67 1.72 -0.07 0.00 0.00 0.00 0.00 33.22 35.54 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 -1.21 2.14 -4.82 3.17 9.92 -1.26 -4.36 116.55 120.13 1wfj n ASP 32 Ca 0.00 -3.13 -0.31 0.00 -0.53 0.00 0.00 54.79 50.83 1wfj n ASP 32 Cb 0.58 -0.64 0.05 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.05 2.88 -0.01 -0.24 0.04 -1.26 -1.21 135.00 133.17 1wfj s PRO 33 Ca 0.39 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 1wfj s PRO 33 Cb 0.19 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wfj s PRO 33 CO -0.07 -1.13 0.08 1.52 0.04 0.00 0.00 177.00 177.44 1wfj s TYR 34 N -3.06 0.05 0.19 0.56 1.13 -0.48 -2.63 117.35 113.12 1wfj s TYR 34 Ca 0.58 -0.11 -0.10 0.00 -1.41 0.00 0.00 57.07 56.03 1wfj s TYR 34 Cb -0.14 -0.06 -0.07 0.00 -1.10 0.00 0.00 41.96 40.59 1wfj s TYR 34 CO 0.55 -0.18 0.53 0.08 -2.51 0.00 0.00 175.55 174.02 1wfj s VAL 35 N -0.91 4.94 -0.33 -3.49 1.01 -1.26 -1.44 120.40 118.93 1wfj s VAL 35 Ca -0.10 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1wfj s VAL 35 Cb -0.06 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.79 1wfj s VAL 35 CO 0.00 0.03 0.14 -1.58 0.00 0.00 0.00 175.10 173.69 1wfj s GLN 36 N -2.55 0.63 0.33 2.72 0.74 -0.45 -1.43 119.66 119.65 1wfj s GLN 36 Ca 0.44 -1.08 -0.29 0.00 0.05 0.00 0.00 55.36 54.48 1wfj s GLN 36 Cb -0.12 -1.74 -0.10 0.00 1.10 0.00 0.00 33.01 32.14 1wfj s GLN 36 CO 0.21 -1.04 1.32 -0.51 -0.55 0.00 0.00 175.29 174.71 1wfj s LEU 37 N 1.52 4.42 0.00 3.68 2.01 0.15 -2.81 118.68 127.65 1wfj s LEU 37 Ca 0.12 2.70 0.03 0.00 0.01 0.00 0.00 54.13 56.98 1wfj s LEU 37 Cb -0.19 -3.65 -0.01 0.00 0.01 0.00 0.00 46.19 42.36 1wfj s LEU 37 CO -0.22 -0.55 -0.08 -0.89 1.01 0.00 0.00 176.35 175.62 1wfj s THR 38 N -1.08 0.63 -0.32 5.49 2.01 0.37 0.15 115.64 122.90 1wfj s THR 38 Ca 0.50 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1wfj s THR 38 Cb -0.40 -0.55 0.12 0.00 0.01 0.00 0.00 72.50 71.68 1wfj s THR 38 CO 0.53 0.12 0.20 0.00 -0.69 0.00 0.00 174.62 174.78 1wfj n ARG 40 N 4.72 0.00 0.00 0.00 0.63 -1.26 -1.66 116.66 119.09 1wfj n ARG 40 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1wfj n ARG 40 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 1wfj n ARG 40 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1wfj n THR 41 N 0.00 0.11 -3.79 5.15 5.66 -1.26 -5.03 114.28 115.12 1wfj n THR 41 Ca 0.00 -0.12 -0.37 0.00 -3.05 0.00 0.00 64.05 60.51 1wfj n THR 41 Cb 0.00 1.06 -0.13 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.11 2.97 0.19 1.09 -2.07 -0.66 -5.09 119.66 115.97 1wfj s GLN 42 Ca 0.00 -0.93 0.07 0.00 -1.82 0.00 0.00 55.36 52.68 1wfj s GLN 42 Cb 0.00 -3.32 -0.04 0.00 -1.09 0.00 0.00 33.01 28.56 1wfj s GLN 42 CO 0.00 -0.47 0.03 0.16 -1.32 0.00 0.00 175.29 173.69 1wfj s ASP 43 N 1.45 4.90 -0.17 12.60 1.47 -1.26 0.48 116.67 136.14 1wfj s ASP 43 Ca 0.01 -0.38 -0.06 0.00 1.18 0.00 0.00 52.55 53.31 1wfj s ASP 43 Cb -0.17 -1.08 0.08 0.00 -0.34 0.00 0.00 42.92 41.40 1wfj s ASP 43 CO 0.01 0.07 0.37 -1.10 0.68 0.00 0.00 175.17 175.20 1wfj s GLN 44 N -3.09 0.27 0.34 2.11 -0.21 0.39 -4.95 119.66 114.51 1wfj s GLN 44 Ca 0.29 0.93 -0.06 0.00 0.02 0.00 0.00 55.36 56.54 1wfj s GLN 44 Cb -0.09 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 1wfj s GLN 44 CO 0.20 -0.25 0.62 0.15 -2.12 0.00 0.00 175.29 173.88 1wfj s LYS 45 N 2.46 3.64 0.45 2.91 1.02 -1.26 0.33 119.74 129.28 1wfj s LYS 45 Ca -0.01 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.10 1wfj s LYS 45 Cb -0.12 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1wfj s LYS 45 CO -0.11 0.11 0.28 0.45 -0.92 0.00 0.00 175.35 175.16 1wfj n SER 46 N -1.23 2.57 -4.66 2.83 2.88 -0.51 -4.95 113.62 110.55 1wfj n SER 46 Ca -0.01 -2.60 -0.33 0.00 -1.33 0.00 0.00 58.87 54.60 1wfj n SER 46 Cb 0.54 0.02 0.14 0.00 -0.75 0.00 0.00 64.21 64.16 1wfj n SER 46 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wfj n ASN 47 N -1.76 0.52 -4.69 -3.46 4.13 -1.26 -4.76 115.26 103.98 1wfj n ASN 47 Ca -0.04 0.52 -0.40 0.00 1.68 0.00 0.00 54.58 56.33 1wfj n ASN 47 Cb 0.52 -1.47 -0.05 0.00 -1.54 0.00 0.00 39.78 37.24 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 48 N -2.29 4.98 -0.99 2.41 1.01 -1.26 -4.67 120.40 119.59 1wfj s VAL 48 Ca 0.70 1.48 -0.23 0.00 0.00 0.00 0.00 61.98 63.93 1wfj s VAL 48 Cb -0.27 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1wfj s VAL 48 CO 0.54 0.15 1.67 0.00 0.00 0.00 0.00 175.10 177.46 1wfj s ALA 49 N 1.47 2.28 -0.00 5.51 0.00 -1.08 -4.95 121.76 125.00 1wfj s ALA 49 Ca 0.37 -1.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.07 1wfj s ALA 49 Cb -0.17 -4.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.36 1wfj s ALA 49 CO 0.15 -4.14 0.88 -1.21 0.00 0.00 0.00 175.76 171.44 1wfj s GLU 50 N 5.81 4.53 -0.65 0.00 2.02 -1.26 -4.11 118.70 125.05 1wfj s GLU 50 Ca 0.57 1.23 -0.02 0.00 0.02 0.00 0.00 54.97 56.77 1wfj s GLU 50 Cb -0.03 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1wfj s GLU 50 CO -0.05 0.05 0.49 0.41 0.02 0.00 0.00 175.26 176.17 1wfj n GLY 51 N 2.83 -0.99 0.02 -1.39 0.00 -1.26 -4.87 105.19 99.54 1wfj n GLY 51 Ca 0.03 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.54 1wfj n GLY 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wfj n MET 52 N -2.11 2.49 0.00 1.61 1.56 -1.26 -5.13 117.12 114.29 1wfj n MET 52 Ca -0.25 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.18 1wfj n MET 52 Cb 0.56 -1.12 0.00 0.00 2.15 0.00 0.00 33.22 34.82 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 0.26 1.14 -5.12 0.00 -1.26 -4.10 105.19 98.95 1wfj n GLY 53 Ca -0.08 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.34 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 1.25 -3.00 2.61 -2.24 -1.03 -4.23 114.28 107.64 1wfj n THR 54 Ca 0.00 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1wfj n THR 54 Cb 0.00 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.22 -0.40 -2.52 4.28 -2.24 -1.26 -2.55 114.28 109.81 1wfj n THR 55 Ca 0.13 -2.89 -0.38 0.00 -2.27 0.00 0.00 64.05 58.64 1wfj n THR 55 Cb 0.69 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 1wfj n THR 55 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wfj s PRO 56 N -0.33 4.32 0.44 -0.78 0.04 -1.20 -4.84 135.00 132.65 1wfj s PRO 56 Ca 0.34 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.04 1wfj s PRO 56 Cb 0.19 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1wfj s PRO 56 CO -0.17 -0.02 0.03 -1.21 0.04 0.00 0.00 177.00 175.67 1wfj s GLU 57 N -2.14 2.05 0.00 4.56 8.01 -1.26 -1.94 118.70 127.98 1wfj s GLU 57 Ca 0.53 -2.16 0.00 0.00 0.01 0.00 0.00 54.97 53.35 1wfj s GLU 57 Cb -0.25 -1.65 0.00 0.00 -4.31 0.00 0.00 34.13 27.92 1wfj s GLU 57 CO 0.32 -0.15 0.00 0.91 0.01 0.00 0.00 175.26 176.35 1wfj n TRP 58 N -1.08 -1.36 -2.00 1.61 8.01 -0.07 -4.73 117.44 117.82 1wfj n TRP 58 Ca -0.08 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.00 1wfj n TRP 58 Cb 0.67 0.30 -0.02 0.00 -2.01 0.00 0.00 31.31 30.25 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 -2.10 -3.29 -3.22 -0.99 4.13 0.20 -4.91 115.26 105.08 1wfj n ASN 59 Ca 0.00 0.25 -0.19 0.00 1.68 0.00 0.00 54.58 56.31 1wfj n ASN 59 Cb 0.00 -2.94 0.14 0.00 -1.54 0.00 0.00 39.78 35.44 1wfj n ASN 59 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wfj n GLU 60 N -2.35 -1.31 -3.63 3.52 -0.58 -1.07 -4.86 120.64 110.36 1wfj n GLU 60 Ca -0.12 -1.27 -0.10 0.00 -0.42 0.00 0.00 57.16 55.25 1wfj n GLU 60 Cb 0.50 -0.94 -0.10 0.00 -0.57 0.00 0.00 31.44 30.33 1wfj n GLU 60 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wfj s THR 61 N -2.70 -0.59 0.07 2.62 2.01 -1.26 -2.88 115.64 112.90 1wfj s THR 61 Ca 0.48 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.72 1wfj s THR 61 Cb -0.02 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1wfj s THR 61 CO 0.35 0.06 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.83 1wfj s PHE 62 N 2.56 2.64 -0.01 4.92 0.40 0.32 -4.96 117.98 123.85 1wfj s PHE 62 Ca 0.00 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1wfj s PHE 62 Cb -0.12 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 1wfj s PHE 62 CO -0.12 0.35 -0.22 0.42 0.70 0.00 0.00 175.22 176.35 1wfj s ILE 63 N -1.07 1.70 0.01 0.64 -1.09 -1.26 -0.49 121.20 119.64 1wfj s ILE 63 Ca 0.18 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1wfj s ILE 63 Cb -0.11 -1.42 -0.01 0.00 -1.58 0.00 0.00 42.46 39.35 1wfj s ILE 63 CO 0.09 0.46 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.88 1wfj s PHE 64 N -0.52 0.18 0.05 3.97 0.08 0.03 -4.95 117.98 116.81 1wfj s PHE 64 Ca 0.08 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 1wfj s PHE 64 Cb -0.08 -0.12 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 1wfj s PHE 64 CO -0.01 -0.09 1.01 0.99 -0.10 0.00 0.00 175.22 177.03 1wfj s THR 65 N -0.72 4.62 -0.04 0.64 2.01 -1.26 0.50 115.64 121.38 1wfj s THR 65 Ca -0.07 1.96 0.04 0.00 0.31 0.00 0.00 61.69 63.93 1wfj s THR 65 Cb -0.05 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1wfj s THR 65 CO -0.00 0.20 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.28 1wfj s VAL 66 N 0.69 2.95 0.00 3.82 1.01 0.34 -4.88 120.40 124.34 1wfj s VAL 66 Ca 0.51 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1wfj s VAL 66 Cb -0.23 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1wfj s VAL 66 CO 0.29 0.58 0.00 -0.24 0.00 0.00 0.00 175.10 175.73 1wfj n SER 67 N 2.29 0.00 -3.65 3.32 2.88 -1.26 -1.01 113.62 116.19 1wfj n SER 67 Ca -0.17 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.22 1wfj n SER 67 Cb 0.52 0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.94 1wfj n SER 67 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wfj s GLU 68 N -0.94 0.79 0.00 -1.46 -1.05 -1.26 -4.19 118.70 110.58 1wfj s GLU 68 Ca 0.00 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 1wfj s GLU 68 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1wfj s GLU 68 CO 0.00 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.44 1wfj n GLY 69 N 1.82 1.76 3.56 -3.83 0.00 -1.26 -4.93 105.19 102.30 1wfj n GLY 69 Ca -0.17 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.27 3.39 -0.17 2.61 2.01 -1.26 -4.69 115.64 117.25 1wfj s THR 70 Ca 0.00 -0.13 0.16 0.00 0.31 0.00 0.00 61.69 62.03 1wfj s THR 70 Cb 0.00 -3.92 0.44 0.00 0.01 0.00 0.00 72.50 69.03 1wfj s THR 70 CO 0.00 -0.88 1.19 0.35 -0.69 0.00 0.00 174.62 174.59 1wfj n THR 71 N 7.66 1.52 -3.62 -0.82 -2.24 -1.26 -4.83 114.28 110.68 1wfj n THR 71 Ca 0.33 -2.74 -0.04 0.00 -2.27 0.00 0.00 64.05 59.33 1wfj n THR 71 Cb 0.49 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.45 0.21 0.12 -0.78 -1.05 -1.26 -2.53 118.70 110.95 1wfj s GLU 72 Ca 0.38 0.05 0.05 0.00 -0.15 0.00 0.00 54.97 55.30 1wfj s GLU 72 Cb 0.38 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1wfj s GLU 72 CO -0.08 -0.06 0.05 -1.17 0.95 0.00 0.00 175.26 174.95 1wfj s LEU 73 N -1.04 3.61 -0.15 1.83 1.98 0.86 -4.81 118.68 120.96 1wfj s LEU 73 Ca 0.06 -0.15 0.00 0.00 -2.89 0.00 0.00 54.13 51.15 1wfj s LEU 73 Cb -0.01 -2.29 -0.01 0.00 0.66 0.00 0.00 46.19 44.55 1wfj s LEU 73 CO -0.05 0.14 -0.14 -0.54 -1.89 0.00 0.00 176.35 173.86 1wfj s LYS 74 N -2.60 3.28 -0.28 1.98 3.01 -0.39 -1.50 119.74 123.23 1wfj s LYS 74 Ca 0.28 -0.73 -0.00 0.00 -1.01 0.00 0.00 55.97 54.51 1wfj s LYS 74 Cb -0.11 -2.63 0.09 0.00 -1.01 0.00 0.00 37.83 34.17 1wfj s LYS 74 CO 0.20 0.09 0.05 0.00 0.51 0.00 0.00 175.35 176.20 1wfj s ALA 75 N 0.66 1.69 -0.17 5.17 0.00 -0.89 0.14 121.76 128.36 1wfj s ALA 75 Ca -0.07 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 1wfj s ALA 75 Cb -0.16 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1wfj s ALA 75 CO 0.02 -1.50 0.06 0.15 0.00 0.00 0.00 175.76 174.49 1wfj s LYS 76 N 1.53 3.85 -0.09 0.00 1.02 -1.12 -0.83 119.74 124.10 1wfj s LYS 76 Ca 0.05 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 1wfj s LYS 76 Cb -0.18 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1wfj s LYS 76 CO -0.17 0.34 0.26 0.42 -0.92 0.00 0.00 175.35 175.28 1wfj s ILE 77 N 0.17 5.31 0.00 2.17 1.09 0.18 -1.34 121.20 128.78 1wfj s ILE 77 Ca 0.04 0.48 0.00 0.00 -1.10 0.00 0.00 60.65 60.07 1wfj s ILE 77 Cb -0.12 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1wfj s ILE 77 CO 0.01 0.57 0.00 0.49 -0.10 0.00 0.00 174.94 175.90 1wfj n PHE 78 N 2.21 0.00 -5.12 3.97 3.72 -0.52 -0.25 117.46 121.48 1wfj n PHE 78 Ca -0.17 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.93 1wfj n PHE 78 Cb 0.53 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.91 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wfj s ASP 79 N -0.83 2.87 0.49 4.37 2.15 -1.26 -1.38 116.67 123.08 1wfj s ASP 79 Ca 0.00 -0.52 0.38 0.00 0.43 0.00 0.00 52.55 52.84 1wfj s ASP 79 Cb 0.00 -1.31 1.55 0.00 -0.30 0.00 0.00 42.92 42.86 1wfj s ASP 79 CO 0.00 0.14 1.63 0.07 -0.17 0.00 0.00 175.17 176.84 1wfj h LYS 80 N 6.75 0.05 -1.60 4.34 2.10 -1.47 1.72 116.57 128.46 1wfj h LYS 80 Ca -0.21 -0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.90 1wfj h LYS 80 Cb 1.23 -0.01 -0.21 0.00 -0.90 0.00 0.00 32.23 32.34 1wfj h LYS 80 CO 0.47 0.03 0.64 -3.47 -2.00 0.00 0.00 179.45 175.13 1wfj n ASP 81 N -4.36 6.98 -3.55 7.07 2.03 -1.26 -4.86 116.55 118.61 1wfj n ASP 81 Ca 0.38 -3.43 -0.15 0.00 0.52 0.00 0.00 54.79 52.12 1wfj n ASP 81 Cb 1.60 -1.09 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 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 -3.42 0.02 -0.11 5.18 1.01 0.59 -5.14 120.40 118.52 1wfj s VAL 82 Ca 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1wfj s VAL 82 Cb 0.38 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 1wfj s VAL 82 CO -0.14 -0.09 0.24 -0.83 0.00 0.00 0.00 175.10 174.29 1wfj s GLY 83 N -1.88 2.23 0.50 4.51 0.00 -1.26 -4.69 107.32 106.73 1wfj s GLY 83 Ca -0.06 -0.50 0.45 0.00 0.00 0.00 0.00 44.72 44.61 1wfj s GLY 83 CO -0.00 0.02 1.45 -1.30 0.00 0.00 0.00 173.10 173.27 1wfj n THR 84 N 2.56 -0.04 -2.74 0.90 -2.24 -1.26 0.71 114.28 112.16 1wfj n THR 84 Ca -0.16 1.43 -0.35 0.00 -2.27 0.00 0.00 64.05 62.70 1wfj n THR 84 Cb 0.53 -2.37 -0.00 0.00 -2.10 0.00 0.00 70.33 66.38 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 -3.90 4.48 0.00 -0.78 0.28 -1.26 -4.63 120.64 114.83 1wfj n GLU 85 Ca 0.41 -4.73 0.00 0.00 -0.16 0.00 0.00 57.16 52.68 1wfj n GLU 85 Cb 1.82 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 32.32 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 -0.15 0.00 -3.20 -1.84 -0.08 0.22 -5.12 116.55 106.38 1wfj n ASP 86 Ca 0.41 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.73 1wfj n ASP 86 Cb 0.32 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.76 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 -3.77 -0.81 -0.32 1.67 2.15 -1.25 -5.04 116.67 109.29 1wfj s ASP 87 Ca 0.00 0.59 -0.23 0.00 0.43 0.00 0.00 52.55 53.34 1wfj s ASP 87 Cb 0.00 1.71 0.00 0.00 -0.30 0.00 0.00 42.92 44.33 1wfj s ASP 87 CO 0.00 -0.15 0.78 0.00 -0.17 0.00 0.00 175.17 175.63 1wfj s ALA 88 N 2.86 3.51 0.55 3.66 0.00 -1.26 -4.61 121.76 126.47 1wfj s ALA 88 Ca 0.06 -0.49 0.50 0.00 0.00 0.00 0.00 51.96 52.03 1wfj s ALA 88 Cb -0.11 -3.31 1.72 0.00 0.00 0.00 0.00 23.12 21.42 1wfj s ALA 88 CO -0.15 -1.26 1.56 1.33 0.00 0.00 0.00 175.76 177.23 1wfj n VAL 89 N 5.59 -0.01 -0.66 0.00 0.24 0.66 -4.69 118.33 119.45 1wfj n VAL 89 Ca 0.03 1.50 0.00 0.00 -2.04 0.00 0.00 64.34 63.83 1wfj n VAL 89 Cb 0.48 -2.50 0.00 0.00 -1.47 0.00 0.00 33.84 30.35 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 -1.90 -1.21 3.56 7.63 0.00 -1.14 -4.72 105.19 107.41 1wfj n GLY 90 Ca 0.44 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1wfj n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 91 N -1.59 1.76 -0.24 1.61 4.04 0.28 0.50 118.70 125.05 1wfj s GLU 91 Ca 0.00 -1.49 -0.24 0.00 0.04 0.00 0.00 54.97 53.28 1wfj s GLU 91 Cb 0.00 0.47 0.06 0.00 0.02 0.00 0.00 34.13 34.68 1wfj s GLU 91 CO 0.00 -0.74 0.67 0.00 -1.84 0.00 0.00 175.26 173.35 1wfj s ALA 92 N -3.45 -1.65 -0.34 -0.84 0.00 -0.01 -1.21 121.76 114.26 1wfj s ALA 92 Ca 0.26 1.84 -0.08 0.00 0.00 0.00 0.00 51.96 53.97 1wfj s ALA 92 Cb -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.11 1wfj s ALA 92 CO 0.14 -0.32 0.14 0.99 0.00 0.00 0.00 175.76 176.71 1wfj s THR 93 N 0.26 4.16 -0.39 0.00 2.01 -1.26 -2.10 115.64 118.31 1wfj s THR 93 Ca -0.01 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 1wfj s THR 93 Cb -0.04 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1wfj s THR 93 CO 0.01 -0.15 0.22 -0.63 -0.69 0.00 0.00 174.62 173.39 1wfj s ILE 94 N 1.49 4.24 0.26 1.82 1.09 -0.57 -4.95 121.20 124.58 1wfj s ILE 94 Ca 0.01 -1.22 -0.30 0.00 -1.10 0.00 0.00 60.65 58.04 1wfj s ILE 94 Cb -0.19 -3.50 -0.09 0.00 -1.06 0.00 0.00 42.46 37.62 1wfj s ILE 94 CO 0.04 -0.38 1.09 -2.16 -0.10 0.00 0.00 174.94 173.43 1wfj s PRO 95 N 1.45 4.65 0.00 2.79 0.04 -1.26 0.30 135.00 142.97 1wfj s PRO 95 Ca 0.02 1.76 0.23 0.00 0.04 0.00 0.00 61.00 63.05 1wfj s PRO 95 Cb -0.21 -3.21 0.53 0.00 0.04 0.00 0.00 34.50 31.64 1wfj s PRO 95 CO 0.03 0.22 1.45 1.28 0.04 0.00 0.00 177.00 180.02 1wfj n LEU 96 N 1.41 2.72 -0.33 -3.56 4.77 -1.05 -4.20 117.00 116.76 1wfj n LEU 96 Ca -0.01 -1.11 -0.04 0.00 -0.03 0.00 0.00 56.01 54.83 1wfj n LEU 96 Cb 0.45 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1wfj n LEU 96 CO 0.54 0.56 1.21 -0.08 -1.33 0.00 0.00 177.39 178.28 1wfj h GLU 97 N 3.68 1.19 0.00 3.23 4.81 -1.92 0.57 114.58 126.14 1wfj h GLU 97 Ca 0.00 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1wfj h GLU 97 Cb 0.80 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1wfj h GLU 97 CO 0.00 0.83 -0.55 -1.00 -0.73 0.00 0.00 179.01 177.56 1wfj h PRO 98 N 1.21 0.00 -0.01 0.92 0.13 -1.94 -2.39 132.00 129.91 1wfj h PRO 98 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1wfj h PRO 98 Cb -0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1wfj h PRO 98 CO -0.06 0.55 -0.20 1.55 -0.23 0.00 0.00 178.00 179.60 1wfj n VAL 99 N -3.50 0.00 -0.06 1.56 3.14 -0.76 -2.12 118.33 116.60 1wfj n VAL 99 Ca 0.00 -0.14 -0.14 0.00 -2.96 0.00 0.00 64.34 61.11 1wfj n VAL 99 Cb 0.64 0.35 -0.14 0.00 -1.06 0.00 0.00 33.84 33.63 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 -0.57 0.54 0.01 1.45 3.01 0.19 -2.09 117.46 120.00 1wfj n PHE 100 Ca 0.13 0.16 -0.15 0.00 1.01 0.00 0.00 57.45 58.60 1wfj n PHE 100 Cb 0.34 -1.09 -0.14 0.00 -0.01 0.00 0.00 39.48 38.58 1wfj n PHE 100 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1wfj h VAL 101 N 0.01 0.86 0.08 -4.37 -1.51 -1.53 -3.38 116.25 106.41 1wfj h VAL 101 Ca -0.45 -2.62 -0.21 0.00 -1.23 0.00 0.00 66.70 62.19 1wfj h VAL 101 Cb 2.07 2.54 -0.00 0.00 -2.13 0.00 0.00 31.29 33.76 1wfj h VAL 101 CO 0.03 0.72 -1.04 -0.33 -1.23 0.00 0.00 177.57 175.72 1wfj h GLU 102 N 0.04 0.16 0.00 5.19 4.39 -1.63 -3.48 114.58 119.25 1wfj h GLU 102 Ca -0.32 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1wfj h GLU 102 Cb 2.02 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1wfj h GLU 102 CO 0.10 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.50 1wfj n GLY 103 N 1.65 0.45 3.62 -3.84 0.00 -0.89 -5.00 105.19 101.17 1wfj n GLY 103 Ca -0.22 0.00 -0.02 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 -2.62 -0.48 -0.00 1.61 1.04 -1.25 -3.40 113.70 108.59 1wfj s SER 104 Ca 0.00 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.24 1wfj s SER 104 Cb 0.00 1.24 -0.01 0.00 0.10 0.00 0.00 66.02 67.35 1wfj s SER 104 CO 0.00 -0.12 -0.17 -0.63 0.98 0.00 0.00 173.24 173.30 1wfj s ILE 105 N 1.43 1.37 0.90 -1.02 -1.09 0.37 -4.88 121.20 118.29 1wfj s ILE 105 Ca -0.08 -0.80 -0.12 0.00 -2.23 0.00 0.00 60.65 57.42 1wfj s ILE 105 Cb -0.04 -1.15 0.13 0.00 -1.58 0.00 0.00 42.46 39.82 1wfj s ILE 105 CO -0.15 0.34 1.13 -2.16 -1.23 0.00 0.00 174.94 172.88 1wfj s PRO 106 N -0.53 1.25 -0.63 2.79 0.04 -1.26 -2.03 135.00 134.64 1wfj s PRO 106 Ca 0.06 0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.16 1wfj s PRO 106 Cb -0.07 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1wfj s PRO 106 CO -0.00 -2.13 1.54 -1.25 0.04 0.00 0.00 177.00 175.20 1wfj s PRO 107 N -5.27 3.04 0.07 0.56 0.04 -1.26 -4.36 135.00 127.82 1wfj s PRO 107 Ca 0.63 0.32 0.06 0.00 0.04 0.00 0.00 61.00 62.05 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 0.53 -2.27 -0.07 0.99 0.04 0.00 0.00 177.00 176.22 1wfj s THR 108 N 7.02 3.56 -0.56 1.26 2.01 -0.97 -4.69 115.64 123.27 1wfj s THR 108 Ca 0.53 -1.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.19 1wfj s THR 108 Cb -0.11 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.80 1wfj s THR 108 CO 0.21 0.19 1.04 0.00 -0.69 0.00 0.00 174.62 175.36 1wfj s ALA 109 N -1.17 3.10 0.03 7.40 0.00 -1.25 -1.74 121.76 128.12 1wfj s ALA 109 Ca 0.21 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.87 1wfj s ALA 109 Cb -0.11 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 1wfj s ALA 109 CO 0.13 -2.48 0.70 0.71 0.00 0.00 0.00 175.76 174.82 1wfj s TYR 110 N 4.33 3.72 -0.19 0.00 2.02 0.23 -4.61 117.35 122.85 1wfj s TYR 110 Ca 0.35 1.37 -0.38 0.00 -0.37 0.00 0.00 57.07 58.04 1wfj s TYR 110 Cb -0.10 -2.73 -0.15 0.00 -0.40 0.00 0.00 41.96 38.57 1wfj s TYR 110 CO 0.22 0.31 1.72 0.09 -1.57 0.00 0.00 175.55 176.32 1wfj n ASN 111 N 2.74 2.54 -4.39 2.29 4.13 -1.26 -0.38 115.26 120.93 1wfj n ASN 111 Ca -0.04 1.06 -0.39 0.00 1.68 0.00 0.00 54.58 56.89 1wfj n ASN 111 Cb 0.50 -1.20 -0.12 0.00 -1.54 0.00 0.00 39.78 37.43 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 3.22 4.44 0.44 2.41 1.01 0.56 -4.54 120.40 127.95 1wfj s VAL 112 Ca 0.95 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1wfj s VAL 112 Cb -0.97 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1wfj s VAL 112 CO 0.60 -0.05 0.25 0.68 0.00 0.00 0.00 175.10 176.58 1wfj s VAL 113 N 1.56 2.19 -0.35 2.92 -7.23 -0.35 0.17 120.40 119.31 1wfj s VAL 113 Ca 0.03 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1wfj s VAL 113 Cb -0.18 -2.79 0.15 0.00 0.56 0.00 0.00 36.38 34.12 1wfj s VAL 113 CO 0.06 0.00 0.37 -0.75 -0.31 0.00 0.00 175.10 174.47 1wfj s LYS 114 N -4.02 0.58 0.00 4.82 2.36 0.28 0.98 119.74 124.73 1wfj s LYS 114 Ca 0.39 -0.66 0.00 0.00 -2.55 0.00 0.00 55.97 53.15 1wfj s LYS 114 Cb 0.01 -0.67 0.00 0.00 -1.05 0.00 0.00 37.83 36.12 1wfj s LYS 114 CO 0.22 -1.16 0.00 -3.47 1.55 0.00 0.00 175.35 172.50 1wfj n ASP 115 N 4.50 0.00 0.00 1.43 -0.08 -1.26 -3.11 116.55 118.02 1wfj n ASP 115 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1wfj n ASP 115 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.76 0.00 -3.01 -0.67 0.28 -1.26 -5.14 120.64 110.08 1wfj n GLU 116 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1wfj n GLU 116 Cb 0.00 0.00 -0.05 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 3.90 -0.25 3.44 0.41 -1.18 -5.00 118.70 120.02 1wfj s GLU 117 Ca 0.00 0.58 -0.22 0.00 -0.41 0.00 0.00 54.97 54.92 1wfj s GLU 117 Cb 0.00 -2.41 -0.01 0.00 -1.78 0.00 0.00 34.13 29.92 1wfj s GLU 117 CO 0.00 0.07 0.70 -0.47 -0.49 0.00 0.00 175.26 175.07 1wfj s TYR 118 N -2.16 3.29 -0.14 1.61 5.04 -1.26 0.99 117.35 124.72 1wfj s TYR 118 Ca 0.53 0.93 0.19 0.00 -2.44 0.00 0.00 57.07 56.28 1wfj s TYR 118 Cb -0.10 -2.91 -0.16 0.00 0.35 0.00 0.00 41.96 39.13 1wfj s TYR 118 CO 0.24 -0.35 0.70 1.63 -1.34 0.00 0.00 175.55 176.43 1wfj n LYS 119 N 5.82 0.63 0.00 4.97 4.76 0.44 -4.94 118.16 129.84 1wfj n LYS 119 Ca 0.02 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1wfj n LYS 119 Cb 0.48 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1wfj n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfj n GLY 120 N 1.37 0.08 3.09 0.72 0.00 -0.62 -3.56 105.19 106.27 1wfj n GLY 120 Ca -0.09 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 0.70 -0.16 1.61 -1.05 -0.23 0.21 118.70 117.78 1wfj s GLU 121 Ca 0.00 -0.67 0.01 0.00 -0.15 0.00 0.00 54.97 54.16 1wfj s GLU 121 Cb 0.00 -0.62 0.01 0.00 -0.44 0.00 0.00 34.13 33.08 1wfj s GLU 121 CO 0.00 0.15 -0.19 -1.50 0.95 0.00 0.00 175.26 174.67 1wfj s ILE 122 N -0.92 2.25 -0.12 1.83 2.07 0.49 -0.73 121.20 126.06 1wfj s ILE 122 Ca -0.02 -0.90 -0.25 0.00 -1.41 0.00 0.00 60.65 58.07 1wfj s ILE 122 Cb -0.08 -1.93 -0.02 0.00 0.13 0.00 0.00 42.46 40.56 1wfj s ILE 122 CO 0.01 0.53 0.81 0.26 -1.91 0.00 0.00 174.94 174.64 1wfj s TRP 123 N 1.04 3.49 -0.19 3.50 0.52 0.36 0.74 118.94 128.41 1wfj s TRP 123 Ca -0.01 1.30 -0.17 0.00 0.02 0.00 0.00 56.10 57.24 1wfj s TRP 123 Cb -0.14 -2.97 0.05 0.00 -1.15 0.00 0.00 33.47 29.26 1wfj s TRP 123 CO -0.06 -0.12 0.49 0.08 0.02 0.00 0.00 176.95 177.36 1wfj s VAL 124 N 1.65 -0.00 0.01 4.03 1.01 -0.71 -2.73 120.40 123.65 1wfj s VAL 124 Ca 0.39 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1wfj s VAL 124 Cb -0.17 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1wfj s VAL 124 CO 0.16 0.00 0.01 0.00 0.00 0.00 0.00 175.10 175.26 1wfj s ALA 125 N 0.30 3.31 -0.01 5.51 0.00 -0.51 -2.28 121.76 128.08 1wfj s ALA 125 Ca -0.00 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1wfj s ALA 125 Cb -0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1wfj s ALA 125 CO 0.00 0.66 -0.26 -0.51 0.00 0.00 0.00 175.76 175.65 1wfj s LEU 126 N -1.64 2.08 -0.39 0.00 1.43 -0.86 -0.48 118.68 118.82 1wfj s LEU 126 Ca 0.20 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1wfj s LEU 126 Cb -0.12 -1.33 0.16 0.00 0.03 0.00 0.00 46.19 44.93 1wfj s LEU 126 CO 0.11 0.31 0.41 -0.44 0.23 0.00 0.00 176.35 176.97 1wfj s SER 127 N -0.74 0.83 0.38 2.29 0.01 -0.62 0.14 113.70 116.00 1wfj s SER 127 Ca 0.10 -1.68 -0.25 0.00 1.31 0.00 0.00 55.95 55.43 1wfj s SER 127 Cb -0.10 0.66 -0.09 0.00 0.21 0.00 0.00 66.02 66.70 1wfj s SER 127 CO -0.00 -0.23 1.10 0.12 0.41 0.00 0.00 173.24 174.64 1wfj s PHE 128 N 1.29 3.24 -0.45 2.43 5.36 -1.22 -2.53 117.98 126.11 1wfj s PHE 128 Ca 0.19 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.81 1wfj s PHE 128 Cb -0.12 -3.25 0.13 0.00 -0.34 0.00 0.00 43.02 39.44 1wfj s PHE 128 CO -0.04 -0.87 0.23 0.15 -1.46 0.00 0.00 175.22 173.23 1wfj s LYS 129 N -2.26 1.40 0.42 10.12 1.02 0.25 -4.70 119.74 125.99 1wfj s LYS 129 Ca 0.56 -2.08 -0.23 0.00 0.02 0.00 0.00 55.97 54.23 1wfj s LYS 129 Cb -0.27 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.41 1wfj s LYS 129 CO 0.34 -1.14 1.05 -1.25 -0.92 0.00 0.00 175.35 173.43 1wfj s PRO 130 N 0.30 4.09 -1.07 -1.68 0.04 -1.26 -1.49 135.00 133.93 1wfj s PRO 130 Ca 0.17 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1wfj s PRO 130 Cb -0.24 -2.46 0.30 0.00 0.04 0.00 0.00 34.50 32.14 1wfj s PRO 130 CO -0.01 -0.21 1.84 0.43 0.04 0.00 0.00 177.00 179.09 1wfj n SER 131 N -0.24 7.29 -2.71 6.66 7.64 -1.24 -4.81 113.62 126.21 1wfj n SER 131 Ca 0.06 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.34 1wfj n SER 131 Cb 0.50 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 0.32 0.00 3.30 0.23 0.00 -1.26 -4.80 105.19 102.99 1wfj n GLY 132 Ca 0.46 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1wfj n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 133 N 0.00 2.30 -2.46 1.61 -0.04 -1.26 -4.56 135.00 130.58 1wfj n PRO 133 Ca 0.00 -2.60 -0.02 0.00 -0.04 0.00 0.00 63.50 60.84 1wfj n PRO 133 Cb 0.00 -3.40 -0.02 0.00 -0.04 0.00 0.00 33.50 30.05 1wfj n PRO 133 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfj n SER 134 N 9.46 -5.38 -3.85 3.54 7.64 -1.26 -5.02 113.62 118.75 1wfj n SER 134 Ca 0.49 1.58 -0.26 0.00 1.01 0.00 0.00 58.87 61.69 1wfj n SER 134 Cb 0.44 -4.77 -0.17 0.00 -1.01 0.00 0.00 64.21 58.69 1wfj n SER 134 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfj s SER 135 N -0.55 2.09 0.00 6.43 0.15 -1.26 -5.17 113.70 115.39 1wfj s SER 135 Ca -0.11 -0.30 0.30 0.00 0.70 0.00 0.00 55.95 56.55 1wfj s SER 135 Cb 0.01 -0.69 1.82 0.00 -1.71 0.00 0.00 66.02 65.44 1wfj s SER 135 CO 0.29 -0.16 2.15 0.61 1.20 0.00 0.00 173.24 177.32