#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 -7.15 -3.25 1.61 7.64 -1.26 -5.06 113.62 106.16 1wfj n SER 2 Ca 0.00 1.58 0.03 0.00 1.01 0.00 0.00 58.87 61.50 1wfj n SER 2 Cb 0.00 -4.13 -0.04 0.00 -1.01 0.00 0.00 64.21 59.03 1wfj n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfj s SER 3 N -5.01 -0.29 0.00 6.43 0.15 -1.26 -5.15 113.70 108.58 1wfj s SER 3 Ca 0.00 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1wfj s SER 3 Cb 0.00 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1wfj s SER 3 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1wfj n GLY 4 N 4.86 0.19 3.88 9.45 0.00 -1.26 -5.05 105.19 117.26 1wfj n GLY 4 Ca -0.08 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.00 6.51 -0.45 1.61 1.04 -1.26 -5.06 113.70 112.09 1wfj s SER 5 Ca 0.00 1.13 0.02 0.00 0.48 0.00 0.00 55.95 57.59 1wfj s SER 5 Cb 0.00 -2.32 0.13 0.00 0.10 0.00 0.00 66.02 63.93 1wfj s SER 5 CO 0.00 -0.42 0.24 -0.55 0.98 0.00 0.00 173.24 173.49 1wfj s SER 6 N -3.22 3.75 0.00 7.02 0.15 -1.26 -5.06 113.70 115.07 1wfj s SER 6 Ca 0.51 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 54.48 1wfj s SER 6 Cb -0.10 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1wfj s SER 6 CO 0.32 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wfj n GLY 7 N 3.48 0.35 0.68 9.45 0.00 -1.26 -4.82 105.19 113.07 1wfj n GLY 7 Ca 0.08 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 1wfj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 8 N 0.00 -0.81 -3.19 1.61 -0.04 -1.26 -5.05 135.00 126.25 1wfj n PRO 8 Ca 0.00 -0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.16 1wfj n PRO 8 Cb 0.00 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.16 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 -1.45 -0.38 0.00 0.54 -3.43 -1.26 -4.48 115.29 104.84 1wfj s HIS 9 Ca 0.13 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.87 1wfj s HIS 9 Cb -0.01 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1wfj s HIS 9 CO 0.10 -0.20 0.00 0.41 -2.00 0.00 0.00 174.74 173.05 1wfj n GLY 10 N 5.24 -0.88 3.25 -1.38 0.00 -1.21 -2.84 105.19 107.36 1wfj n GLY 10 Ca -0.08 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1wfj n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 11 N -2.77 1.61 0.06 2.61 2.01 0.12 -2.72 115.64 116.57 1wfj s THR 11 Ca 0.00 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 60.74 1wfj s THR 11 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1wfj s THR 11 CO 0.00 0.08 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.78 1wfj s LEU 12 N -1.45 3.42 -0.21 4.42 1.98 0.65 0.19 118.68 127.69 1wfj s LEU 12 Ca 0.06 -0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.14 1wfj s LEU 12 Cb -0.09 -2.10 0.06 0.00 0.66 0.00 0.00 46.19 44.72 1wfj s LEU 12 CO 0.03 0.21 0.00 -0.70 -1.89 0.00 0.00 176.35 174.00 1wfj s GLU 13 N -2.04 1.02 -0.38 1.98 2.12 0.12 -1.86 118.70 119.67 1wfj s GLU 13 Ca 0.23 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.84 1wfj s GLU 13 Cb -0.12 -2.27 0.04 0.00 0.26 0.00 0.00 34.13 32.04 1wfj s GLU 13 CO 0.15 -0.62 0.20 0.08 -0.54 0.00 0.00 175.26 174.54 1wfj s VAL 14 N 1.69 4.43 -0.79 3.70 1.01 0.18 0.56 120.40 131.18 1wfj s VAL 14 Ca -0.03 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1wfj s VAL 14 Cb -0.18 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 32.86 1wfj s VAL 14 CO -0.07 -0.27 0.82 -0.69 0.00 0.00 0.00 175.10 174.89 1wfj s VAL 15 N 1.52 5.22 -0.48 2.92 1.01 0.17 0.68 120.40 131.44 1wfj s VAL 15 Ca 0.01 -1.91 -0.27 0.00 0.00 0.00 0.00 61.98 59.82 1wfj s VAL 15 Cb -0.20 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 1wfj s VAL 15 CO 0.06 -1.15 2.11 -0.22 0.00 0.00 0.00 175.10 175.89 1wfj s LEU 16 N 1.35 3.39 0.00 3.92 0.20 0.45 -1.42 118.68 126.57 1wfj s LEU 16 Ca 0.19 0.96 0.00 0.00 0.69 0.00 0.00 54.13 55.97 1wfj s LEU 16 Cb -0.13 -2.79 0.00 0.00 -0.43 0.00 0.00 46.19 42.84 1wfj s LEU 16 CO -0.05 -2.43 0.00 0.52 -0.29 0.00 0.00 176.35 174.10 1wfj n VAL 17 N 7.62 0.00 -3.43 1.68 0.31 -0.76 0.31 118.33 124.05 1wfj n VAL 17 Ca 0.28 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1wfj n VAL 17 Cb 0.52 -0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 -0.23 -0.03 -3.65 4.52 3.41 -0.96 0.12 113.62 116.80 1wfj n SER 18 Ca 0.00 -1.04 -0.12 0.00 -0.26 0.00 0.00 58.87 57.46 1wfj n SER 18 Cb 0.00 0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.45 -1.62 0.21 7.33 0.00 -1.14 0.20 121.76 125.29 1wfj s ALA 19 Ca 0.00 1.96 0.08 0.00 0.00 0.00 0.00 51.96 54.00 1wfj s ALA 19 Cb -0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1wfj s ALA 19 CO 0.00 -0.32 -0.02 0.15 0.00 0.00 0.00 175.76 175.57 1wfj s LYS 20 N 0.78 2.30 -0.46 0.00 1.02 0.11 -3.59 119.74 119.89 1wfj s LYS 20 Ca -0.04 -1.26 0.07 0.00 0.02 0.00 0.00 55.97 54.77 1wfj s LYS 20 Cb -0.05 -2.25 0.39 0.00 -0.52 0.00 0.00 37.83 35.41 1wfj s LYS 20 CO -0.06 0.42 1.00 0.41 -0.92 0.00 0.00 175.35 176.20 1wfj n GLY 21 N -0.40 5.08 7.00 -3.33 0.00 -1.23 -1.48 105.19 110.83 1wfj n GLY 21 Ca -0.09 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.45 1wfj n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfj n LEU 22 N -0.28 0.00 -0.68 0.99 4.77 -1.26 -3.34 117.00 117.20 1wfj n LEU 22 Ca 0.31 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 1wfj n LEU 22 Cb 0.60 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.84 1wfj n LEU 22 CO 0.31 -0.37 0.62 -1.84 -1.33 0.00 0.00 177.39 174.78 1wfj n GLU 23 N -0.49 2.54 -2.79 3.23 0.28 -1.26 -4.46 120.64 117.68 1wfj n GLU 23 Ca 0.00 -1.98 -0.02 0.00 -0.16 0.00 0.00 57.16 55.00 1wfj n GLU 23 Cb 0.00 -1.29 0.06 0.00 1.43 0.00 0.00 31.44 31.63 1wfj n GLU 23 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wfj n ASP 24 N 0.64 1.20 -3.72 -1.84 9.92 -1.26 -5.06 116.55 116.43 1wfj n ASP 24 Ca 0.12 -2.16 -0.13 0.00 -0.53 0.00 0.00 54.79 52.09 1wfj n ASP 24 Cb 0.43 -0.35 -0.13 0.00 -0.64 0.00 0.00 41.12 40.42 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfj s ALA 25 N -3.26 -0.48 -0.24 2.24 0.00 -1.21 -5.03 121.76 113.78 1wfj s ALA 25 Ca 0.25 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 1wfj s ALA 25 Cb 0.36 -0.65 -0.18 0.00 0.00 0.00 0.00 23.12 22.64 1wfj s ALA 25 CO -0.04 -0.26 3.38 -0.40 0.00 0.00 0.00 175.76 178.45 1wfj n ASP 26 N 4.41 5.81 -4.59 0.00 5.75 -1.26 -4.78 116.55 121.89 1wfj n ASP 26 Ca -0.22 -2.65 -0.35 0.00 -0.01 0.00 0.00 54.79 51.56 1wfj n ASP 26 Cb 0.52 -1.39 -0.10 0.00 -1.03 0.00 0.00 41.12 39.12 1wfj n ASP 26 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1wfj s PHE 27 N 0.49 3.20 -1.45 2.11 5.36 -1.26 -4.26 117.98 122.17 1wfj s PHE 27 Ca 0.65 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 1wfj s PHE 27 Cb 0.32 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 1wfj s PHE 27 CO -0.05 0.06 0.00 1.28 -1.46 0.00 0.00 175.22 175.05 1wfj n LEU 28 N 3.73 -1.00 0.00 6.12 4.32 -1.26 -4.40 117.00 124.51 1wfj n LEU 28 Ca -0.17 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1wfj n LEU 28 Cb 0.52 -2.05 0.00 0.00 -1.62 0.00 0.00 43.42 40.28 1wfj n LEU 28 CO 0.34 -0.71 0.00 -3.20 -1.22 0.00 0.00 177.39 172.60 1wfj n ASN 29 N -0.20 0.00 -4.00 -1.43 2.85 -1.26 -2.26 115.26 108.96 1wfj n ASN 29 Ca -0.14 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 53.98 1wfj n ASN 29 Cb 0.45 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.39 1wfj n ASN 29 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wfj n ASN 30 N 0.00 2.11 -1.56 1.20 4.13 -1.26 -4.43 115.26 115.45 1wfj n ASN 30 Ca 0.00 -2.61 -0.04 0.00 1.68 0.00 0.00 54.58 53.61 1wfj n ASN 30 Cb 0.00 -1.23 -0.01 0.00 -1.54 0.00 0.00 39.78 37.00 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 7.76 0.20 -3.15 3.52 0.00 -1.26 -5.09 117.12 119.10 1wfj n MET 31 Ca 0.46 -0.77 -0.23 0.00 0.00 0.00 0.00 57.70 57.16 1wfj n MET 31 Cb 0.43 0.76 -0.05 0.00 0.00 0.00 0.00 33.22 34.37 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 -1.94 2.02 -4.81 3.17 9.92 -1.26 -4.22 116.55 119.43 1wfj n ASP 32 Ca 0.00 -3.18 -0.30 0.00 -0.53 0.00 0.00 54.79 50.78 1wfj n ASP 32 Cb 0.16 -0.61 0.08 0.00 -0.64 0.00 0.00 41.12 40.12 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 -2.48 2.22 -0.01 -0.24 0.04 -1.25 -1.87 135.00 131.40 1wfj s PRO 33 Ca 0.41 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.10 1wfj s PRO 33 Cb 0.28 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1wfj s PRO 33 CO -0.09 -1.54 0.10 1.52 0.04 0.00 0.00 177.00 177.03 1wfj s TYR 34 N -3.14 0.01 0.18 0.56 1.13 -1.15 -2.51 117.35 112.44 1wfj s TYR 34 Ca 0.60 -0.03 -0.11 0.00 -1.41 0.00 0.00 57.07 56.12 1wfj s TYR 34 Cb -0.14 -0.04 -0.07 0.00 -1.10 0.00 0.00 41.96 40.61 1wfj s TYR 34 CO 0.54 -0.18 0.53 0.08 -2.51 0.00 0.00 175.55 174.01 1wfj s VAL 35 N -0.83 4.93 -0.20 -3.49 1.01 -1.26 -2.57 120.40 117.98 1wfj s VAL 35 Ca -0.09 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 1wfj s VAL 35 Cb -0.05 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1wfj s VAL 35 CO 0.01 0.09 0.11 -1.58 0.00 0.00 0.00 175.10 173.73 1wfj s GLN 36 N -2.38 0.10 0.79 2.72 0.74 0.07 -1.99 119.66 119.72 1wfj s GLN 36 Ca 0.42 -0.19 -0.12 0.00 0.05 0.00 0.00 55.36 55.53 1wfj s GLN 36 Cb -0.13 -1.62 0.07 0.00 1.10 0.00 0.00 33.01 32.43 1wfj s GLN 36 CO 0.20 -0.76 1.10 -0.51 -0.55 0.00 0.00 175.29 174.77 1wfj s LEU 37 N 2.14 2.59 -0.14 3.68 2.01 -1.00 -1.94 118.68 126.01 1wfj s LEU 37 Ca 0.04 1.22 -0.07 0.00 0.01 0.00 0.00 54.13 55.34 1wfj s LEU 37 Cb -0.16 -3.83 0.06 0.00 0.01 0.00 0.00 46.19 42.27 1wfj s LEU 37 CO -0.17 -1.92 0.33 -0.89 1.01 0.00 0.00 176.35 174.71 1wfj s THR 38 N -3.22 -0.17 -0.36 5.49 2.01 0.50 -1.98 115.64 117.91 1wfj s THR 38 Ca 0.61 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1wfj s THR 38 Cb -0.14 -0.51 0.15 0.00 0.01 0.00 0.00 72.50 72.01 1wfj s THR 38 CO 0.53 0.06 0.27 0.00 -0.69 0.00 0.00 174.62 174.80 1wfj n ARG 40 N 4.00 -4.27 -3.13 0.00 0.63 -1.26 -3.40 116.66 109.23 1wfj n ARG 40 Ca 0.13 3.26 -0.22 0.00 -0.92 0.00 0.00 57.85 60.10 1wfj n ARG 40 Cb 0.40 -5.19 -0.04 0.00 0.45 0.00 0.00 32.46 28.08 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1wfj n THR 41 N 1.37 0.00 -3.50 5.15 -2.24 -1.26 -4.81 114.28 109.00 1wfj n THR 41 Ca -0.29 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 1wfj n THR 41 Cb 0.45 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.30 1wfj n THR 41 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1wfj s GLN 42 N -4.59 0.22 0.29 -0.78 0.74 -1.22 -5.15 119.66 109.17 1wfj s GLN 42 Ca 0.44 0.41 0.06 0.00 0.05 0.00 0.00 55.36 56.32 1wfj s GLN 42 Cb -0.26 -0.76 -0.06 0.00 1.10 0.00 0.00 33.01 33.03 1wfj s GLN 42 CO 0.54 -0.57 -0.05 0.16 -0.55 0.00 0.00 175.29 174.83 1wfj s ASP 43 N 2.40 2.78 -0.20 6.67 1.47 -1.25 0.23 116.67 128.76 1wfj s ASP 43 Ca 0.07 -1.21 -0.07 0.00 1.18 0.00 0.00 52.55 52.52 1wfj s ASP 43 Cb -0.15 -0.17 0.09 0.00 -0.34 0.00 0.00 42.92 42.35 1wfj s ASP 43 CO -0.12 -0.36 0.43 -1.10 0.68 0.00 0.00 175.17 174.70 1wfj s GLN 44 N -3.74 0.34 0.41 2.11 -0.21 -0.84 -4.95 119.66 112.79 1wfj s GLN 44 Ca 0.30 1.04 -0.11 0.00 0.02 0.00 0.00 55.36 56.62 1wfj s GLN 44 Cb 0.04 0.33 -0.06 0.00 1.00 0.00 0.00 33.01 34.32 1wfj s GLN 44 CO 0.12 -0.24 0.77 0.15 -2.12 0.00 0.00 175.29 173.98 1wfj s LYS 45 N 2.53 3.78 0.43 2.91 1.02 -1.26 -2.38 119.74 126.78 1wfj s LYS 45 Ca -0.02 0.48 0.07 0.00 0.02 0.00 0.00 55.97 56.52 1wfj s LYS 45 Cb -0.12 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1wfj s LYS 45 CO -0.13 -0.04 0.26 -1.54 -0.92 0.00 0.00 175.35 172.98 1wfj s SER 46 N -3.16 4.64 0.68 2.83 1.04 -0.84 -5.00 113.70 113.89 1wfj s SER 46 Ca 0.51 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1wfj s SER 46 Cb -0.10 -0.39 -0.07 0.00 0.10 0.00 0.00 66.02 65.55 1wfj s SER 46 CO 0.31 -0.65 0.34 0.59 0.98 0.00 0.00 173.24 174.82 1wfj n ASN 47 N -1.40 -1.85 -4.72 7.02 4.13 -1.26 -4.69 115.26 112.49 1wfj n ASN 47 Ca -0.00 0.60 -0.41 0.00 1.68 0.00 0.00 54.58 56.45 1wfj n ASN 47 Cb 0.64 -1.12 -0.04 0.00 -1.54 0.00 0.00 39.78 37.72 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 -1.89 4.43 -1.18 2.41 1.01 -1.26 -4.75 120.40 119.16 1wfj s VAL 48 Ca 0.63 1.94 -0.21 0.00 0.00 0.00 0.00 61.98 64.34 1wfj s VAL 48 Cb -0.38 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1wfj s VAL 48 CO 0.60 0.26 1.76 0.00 0.00 0.00 0.00 175.10 177.72 1wfj s ALA 49 N 0.28 2.64 -0.16 5.51 0.00 -1.04 -4.93 121.76 124.06 1wfj s ALA 49 Ca 0.50 -2.47 -0.29 0.00 0.00 0.00 0.00 51.96 49.70 1wfj s ALA 49 Cb -0.24 -4.63 -0.02 0.00 0.00 0.00 0.00 23.12 18.23 1wfj s ALA 49 CO 0.30 -4.03 1.34 -1.21 0.00 0.00 0.00 175.76 172.16 1wfj s GLU 50 N 5.23 4.18 -0.82 0.00 2.02 -1.26 -3.92 118.70 124.13 1wfj s GLU 50 Ca 0.58 1.71 -0.15 0.00 0.02 0.00 0.00 54.97 57.13 1wfj s GLU 50 Cb 0.01 -3.82 0.02 0.00 0.10 0.00 0.00 34.13 30.44 1wfj s GLU 50 CO 0.06 -0.78 0.51 0.41 0.02 0.00 0.00 175.26 175.47 1wfj n GLY 51 N 3.79 -0.84 0.09 -1.39 0.00 -1.26 -4.85 105.19 100.73 1wfj n GLY 51 Ca 0.15 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.30 1.08 0.00 1.61 1.56 -1.25 -5.12 117.12 111.69 1wfj n MET 52 Ca -0.17 0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.28 1wfj n MET 52 Cb 0.50 -1.44 0.00 0.00 2.15 0.00 0.00 33.22 34.43 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 2.06 -1.42 0.00 -5.12 0.00 -1.26 -4.46 105.19 94.99 1wfj n GLY 53 Ca -0.30 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.05 1.47 -3.44 2.61 -2.24 -0.96 -3.27 114.28 108.41 1wfj n THR 54 Ca 0.00 0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.88 1wfj n THR 54 Cb 0.00 -1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 66.90 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 -1.49 1.16 -2.47 4.28 -2.24 -1.26 -3.55 114.28 108.71 1wfj n THR 55 Ca 0.02 -4.70 -0.42 0.00 -2.27 0.00 0.00 64.05 56.68 1wfj n THR 55 Cb 0.09 -2.04 -0.03 0.00 -2.10 0.00 0.00 70.33 66.24 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 -1.77 4.47 -0.19 -0.78 0.04 -1.20 -4.85 135.00 130.71 1wfj s PRO 56 Ca 0.36 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 1wfj s PRO 56 Cb 0.11 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1wfj s PRO 56 CO -0.08 -0.18 0.00 -1.21 0.04 0.00 0.00 177.00 175.58 1wfj s GLU 57 N 0.79 3.65 -0.21 4.56 8.01 -1.26 -2.88 118.70 131.35 1wfj s GLU 57 Ca 0.56 -0.51 -0.07 0.00 0.01 0.00 0.00 54.97 54.97 1wfj s GLU 57 Cb -0.29 -3.07 -0.11 0.00 -4.31 0.00 0.00 34.13 26.36 1wfj s GLU 57 CO 0.30 0.06 -0.25 0.91 0.01 0.00 0.00 175.26 176.30 1wfj n TRP 58 N 4.10 0.00 -3.15 1.61 8.01 0.12 -4.98 117.44 123.14 1wfj n TRP 58 Ca -0.17 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.80 1wfj n TRP 58 Cb 0.52 -0.78 0.01 0.00 -2.01 0.00 0.00 31.31 29.05 1wfj n TRP 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1wfj n ASN 59 N -3.69 -4.78 -3.64 -0.99 4.13 0.91 -4.94 115.26 102.26 1wfj n ASN 59 Ca -0.41 -0.31 -0.21 0.00 1.68 0.00 0.00 54.58 55.34 1wfj n ASN 59 Cb 0.83 -3.91 0.13 0.00 -1.54 0.00 0.00 39.78 35.29 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 -3.80 -0.61 -3.67 3.52 -0.58 0.44 -4.79 120.64 111.15 1wfj n GLU 60 Ca -0.07 -1.76 -0.10 0.00 -0.42 0.00 0.00 57.16 54.81 1wfj n GLU 60 Cb 0.58 -0.85 -0.11 0.00 -0.57 0.00 0.00 31.44 30.49 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 -2.90 -0.44 0.08 2.62 2.01 -1.25 -0.41 115.64 115.35 1wfj s THR 61 Ca 0.55 0.17 0.10 0.00 0.31 0.00 0.00 61.69 62.82 1wfj s THR 61 Cb -0.02 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1wfj s THR 61 CO 0.38 0.07 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.77 1wfj s PHE 62 N 2.25 2.19 0.02 4.92 0.40 0.22 -4.94 117.98 123.04 1wfj s PHE 62 Ca -0.03 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1wfj s PHE 62 Cb -0.11 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1wfj s PHE 62 CO -0.12 0.21 -0.23 0.42 0.70 0.00 0.00 175.22 176.20 1wfj s ILE 63 N -0.94 2.36 0.03 0.64 -1.09 -1.26 0.47 121.20 121.42 1wfj s ILE 63 Ca 0.11 -1.22 -0.04 0.00 -2.23 0.00 0.00 60.65 57.28 1wfj s ILE 63 Cb -0.10 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.85 1wfj s ILE 63 CO 0.04 0.43 0.05 -0.36 -1.23 0.00 0.00 174.94 173.86 1wfj s PHE 64 N -0.78 0.26 -0.15 3.97 0.08 -0.78 -4.96 117.98 115.62 1wfj s PHE 64 Ca 0.12 -0.58 -0.16 0.00 0.12 0.00 0.00 56.93 56.43 1wfj s PHE 64 Cb -0.10 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1wfj s PHE 64 CO 0.02 -0.32 0.40 0.99 -0.10 0.00 0.00 175.22 176.21 1wfj s THR 65 N -2.47 5.23 0.10 0.64 2.01 -1.26 -0.25 115.64 119.64 1wfj s THR 65 Ca -0.06 0.78 0.08 0.00 0.31 0.00 0.00 61.69 62.79 1wfj s THR 65 Cb -0.02 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1wfj s THR 65 CO -0.04 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.40 1wfj s VAL 66 N 0.70 3.16 0.00 3.82 1.01 -1.10 -4.95 120.40 123.04 1wfj s VAL 66 Ca 0.22 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1wfj s VAL 66 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1wfj s VAL 66 CO 0.08 0.13 0.00 -0.24 0.00 0.00 0.00 175.10 175.07 1wfj n SER 67 N 0.82 0.00 -3.84 3.32 2.88 -1.26 -3.33 113.62 112.21 1wfj n SER 67 Ca -0.14 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.28 1wfj n SER 67 Cb 0.52 0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.37 0.38 0.00 -1.46 -1.05 -1.26 -4.37 118.70 110.56 1wfj s GLU 68 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 1wfj s GLU 68 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 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 2.11 1.90 3.58 -3.83 0.00 -1.26 -4.91 105.19 102.77 1wfj n GLY 69 Ca -0.18 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1wfj n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 70 N 0.00 3.51 -0.02 2.61 2.01 -1.26 -4.71 115.64 117.78 1wfj s THR 70 Ca 0.00 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1wfj s THR 70 Cb 0.00 -3.91 0.04 0.00 0.01 0.00 0.00 72.50 68.63 1wfj s THR 70 CO 0.00 -0.74 0.81 0.35 -0.69 0.00 0.00 174.62 174.36 1wfj n THR 71 N 7.24 0.53 -3.67 -0.82 -2.24 -1.26 -4.61 114.28 109.46 1wfj n THR 71 Ca 0.20 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1wfj n THR 71 Cb 0.49 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.65 0.89 -0.06 -0.78 -1.05 -1.26 0.38 118.70 116.17 1wfj s GLU 72 Ca 0.04 -0.27 0.03 0.00 -0.15 0.00 0.00 54.97 54.61 1wfj s GLU 72 Cb 0.03 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 1wfj s GLU 72 CO 0.00 -0.30 -0.12 -1.17 0.95 0.00 0.00 175.26 174.63 1wfj s LEU 73 N -1.81 2.88 -0.19 1.83 2.96 1.22 -4.82 118.68 120.75 1wfj s LEU 73 Ca -0.07 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 1wfj s LEU 73 Cb -0.02 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1wfj s LEU 73 CO -0.00 0.35 0.05 -0.54 -1.32 0.00 0.00 176.35 174.89 1wfj s LYS 74 N -0.75 3.87 -0.22 1.98 3.01 -1.04 -0.00 119.74 126.59 1wfj s LYS 74 Ca 0.12 -0.40 0.02 0.00 -1.01 0.00 0.00 55.97 54.70 1wfj s LYS 74 Cb -0.11 -3.19 0.04 0.00 -1.01 0.00 0.00 37.83 33.56 1wfj s LYS 74 CO 0.01 0.18 -0.13 0.00 0.51 0.00 0.00 175.35 175.91 1wfj s ALA 75 N 0.62 2.30 -0.01 5.17 0.00 -0.68 -0.37 121.76 128.78 1wfj s ALA 75 Ca 0.02 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.64 1wfj s ALA 75 Cb -0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 1wfj s ALA 75 CO 0.02 -0.83 -0.21 0.15 0.00 0.00 0.00 175.76 174.88 1wfj s LYS 76 N 1.26 2.18 0.11 0.00 1.02 -0.82 -0.15 119.74 123.35 1wfj s LYS 76 Ca -0.02 -0.89 0.09 0.00 0.02 0.00 0.00 55.97 55.17 1wfj s LYS 76 Cb -0.17 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1wfj s LYS 76 CO -0.08 0.57 -0.18 0.42 -0.92 0.00 0.00 175.35 175.15 1wfj s ILE 77 N -0.71 2.81 0.00 2.17 1.09 0.36 -0.75 121.20 126.16 1wfj s ILE 77 Ca 0.11 -1.50 0.00 0.00 -1.10 0.00 0.00 60.65 58.16 1wfj s ILE 77 Cb -0.10 -2.28 0.00 0.00 -1.06 0.00 0.00 42.46 39.02 1wfj s ILE 77 CO 0.01 0.11 0.00 0.49 -0.10 0.00 0.00 174.94 175.45 1wfj n PHE 78 N 0.84 0.00 -5.19 3.97 3.01 -1.06 0.20 117.46 119.23 1wfj n PHE 78 Ca -0.16 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.00 1wfj n PHE 78 Cb 0.53 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.83 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 1.40 2.87 0.56 4.37 2.15 -1.26 -2.92 116.67 123.84 1wfj s ASP 79 Ca 0.00 -0.47 0.38 0.00 0.43 0.00 0.00 52.55 52.90 1wfj s ASP 79 Cb 0.00 -0.63 1.53 0.00 -0.30 0.00 0.00 42.92 43.52 1wfj s ASP 79 CO 0.00 0.25 1.70 0.07 -0.17 0.00 0.00 175.17 177.02 1wfj h LYS 80 N 5.90 0.00 -1.11 4.34 2.10 -1.71 1.76 116.57 127.86 1wfj h LYS 80 Ca -0.35 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.63 1wfj h LYS 80 Cb 1.16 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 32.21 1wfj h LYS 80 CO 0.47 0.00 0.87 -3.47 -2.00 0.00 0.00 179.45 175.32 1wfj n ASP 81 N -3.97 7.65 -3.70 7.07 2.03 -1.26 -4.89 116.55 119.47 1wfj n ASP 81 Ca 0.28 -3.76 -0.14 0.00 0.52 0.00 0.00 54.79 51.69 1wfj n ASP 81 Cb 1.42 -0.99 -0.08 0.00 -0.72 0.00 0.00 41.12 40.75 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 -4.73 0.03 0.01 5.18 1.01 0.60 -5.12 120.40 117.38 1wfj s VAL 82 Ca 0.62 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1wfj s VAL 82 Cb 0.49 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 1wfj s VAL 82 CO -0.04 -0.16 0.43 -0.83 0.00 0.00 0.00 175.10 174.50 1wfj s GLY 83 N -1.03 2.50 0.34 4.51 0.00 -1.26 -4.61 107.32 107.77 1wfj s GLY 83 Ca -0.11 -0.18 0.23 0.00 0.00 0.00 0.00 44.72 44.66 1wfj s GLY 83 CO 0.05 0.20 1.24 -1.30 0.00 0.00 0.00 173.10 173.29 1wfj n THR 84 N 1.85 -0.23 -2.93 0.90 -2.24 -1.26 0.69 114.28 111.06 1wfj n THR 84 Ca -0.13 1.47 -0.34 0.00 -2.27 0.00 0.00 64.05 62.78 1wfj n THR 84 Cb 0.52 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 66.32 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 -4.41 4.05 0.04 -0.78 0.28 -1.26 -4.55 120.64 114.01 1wfj n GLU 85 Ca 0.32 -4.73 0.00 0.00 -0.16 0.00 0.00 57.16 52.59 1wfj n GLU 85 Cb 1.19 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 31.70 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 0.23 -0.08 -3.15 -1.84 -0.08 0.22 -5.10 116.55 106.74 1wfj n ASP 86 Ca 0.35 0.14 0.06 0.00 -1.51 0.00 0.00 54.79 53.83 1wfj n ASP 86 Cb 0.34 0.15 -0.02 0.00 2.34 0.00 0.00 41.12 43.93 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 -4.92 -0.16 0.03 1.67 -1.08 -1.25 -5.00 116.67 105.96 1wfj s ASP 87 Ca 0.00 0.10 -0.22 0.00 -0.52 0.00 0.00 52.55 51.91 1wfj s ASP 87 Cb 0.00 1.13 -0.06 0.00 -1.46 0.00 0.00 42.92 42.54 1wfj s ASP 87 CO 0.00 -0.03 0.66 0.00 0.52 0.00 0.00 175.17 176.32 1wfj s ALA 88 N 2.98 3.45 0.21 3.66 0.00 -1.26 -4.48 121.76 126.32 1wfj s ALA 88 Ca -0.08 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 1wfj s ALA 88 Cb -0.09 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 20.36 1wfj s ALA 88 CO -0.08 0.15 1.53 -0.39 0.00 0.00 0.00 175.76 176.97 1wfj h VAL 89 N 4.05 1.34 -2.04 0.00 -1.51 0.20 -3.47 116.25 114.82 1wfj h VAL 89 Ca -0.45 -1.83 0.19 0.00 -1.23 0.00 0.00 66.70 63.38 1wfj h VAL 89 Cb 1.20 1.83 -0.13 0.00 -2.13 0.00 0.00 31.29 32.07 1wfj h VAL 89 CO 0.69 0.56 0.59 -0.83 -1.23 0.00 0.00 177.57 177.36 1wfj s GLY 90 N -4.19 -0.35 0.18 5.19 0.00 -1.14 -4.81 107.32 102.19 1wfj s GLY 90 Ca -0.06 0.76 -0.07 0.00 0.00 0.00 0.00 44.72 45.35 1wfj s GLY 90 CO 0.82 0.22 0.25 -1.83 0.00 0.00 0.00 173.10 172.56 1wfj s GLU 91 N -2.95 1.20 -0.01 2.90 4.04 0.43 0.13 118.70 124.45 1wfj s GLU 91 Ca 0.10 -1.34 -0.22 0.00 0.04 0.00 0.00 54.97 53.55 1wfj s GLU 91 Cb -0.00 0.35 0.04 0.00 0.02 0.00 0.00 34.13 34.54 1wfj s GLU 91 CO -0.04 -0.43 0.48 0.00 -1.84 0.00 0.00 175.26 173.43 1wfj s ALA 92 N -4.03 -1.21 -0.33 -0.84 0.00 0.79 -0.89 121.76 115.24 1wfj s ALA 92 Ca 0.24 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1wfj s ALA 92 Cb 0.04 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1wfj s ALA 92 CO 0.05 -0.36 0.12 0.99 0.00 0.00 0.00 175.76 176.55 1wfj s THR 93 N -1.64 4.06 -0.44 0.00 2.01 -1.26 -1.68 115.64 116.69 1wfj s THR 93 Ca -0.10 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 1wfj s THR 93 Cb -0.02 -3.20 0.10 0.00 0.01 0.00 0.00 72.50 69.38 1wfj s THR 93 CO 0.04 -0.08 0.29 -0.63 -0.69 0.00 0.00 174.62 173.56 1wfj s ILE 94 N 1.48 4.18 0.23 1.82 1.01 0.99 -4.92 121.20 125.99 1wfj s ILE 94 Ca 0.01 -1.60 -0.30 0.00 0.00 0.00 0.00 60.65 58.76 1wfj s ILE 94 Cb -0.18 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 1wfj s ILE 94 CO 0.04 -0.63 1.10 -2.16 0.00 0.00 0.00 174.94 173.28 1wfj s PRO 95 N 1.38 4.62 0.00 2.79 0.04 -1.26 0.38 135.00 142.96 1wfj s PRO 95 Ca 0.04 1.76 0.24 0.00 0.04 0.00 0.00 61.00 63.07 1wfj s PRO 95 Cb -0.24 -3.23 0.38 0.00 0.04 0.00 0.00 34.50 31.44 1wfj s PRO 95 CO 0.01 0.15 1.38 1.28 0.04 0.00 0.00 177.00 179.86 1wfj n LEU 96 N 1.77 3.34 -0.30 -3.56 4.77 0.16 -4.28 117.00 118.90 1wfj n LEU 96 Ca 0.01 -1.37 -0.05 0.00 -0.03 0.00 0.00 56.01 54.57 1wfj n LEU 96 Cb 0.45 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1wfj n LEU 96 CO 0.54 0.68 1.08 -0.08 -1.33 0.00 0.00 177.39 178.29 1wfj h GLU 97 N 4.52 1.20 -0.02 3.23 4.81 -1.85 0.36 114.58 126.83 1wfj h GLU 97 Ca 0.00 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.85 1wfj h GLU 97 Cb 0.99 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1wfj h GLU 97 CO 0.00 0.95 -0.81 -1.00 -0.73 0.00 0.00 179.01 177.41 1wfj h PRO 98 N 1.18 0.24 0.00 0.92 0.13 -1.91 -2.39 132.00 130.18 1wfj h PRO 98 Ca 0.28 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1wfj h PRO 98 Cb 0.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1wfj h PRO 98 CO -0.03 0.93 0.00 1.55 -0.23 0.00 0.00 178.00 180.22 1wfj n VAL 99 N -3.73 0.44 -0.05 1.56 3.14 -1.00 0.17 118.33 118.87 1wfj n VAL 99 Ca -0.04 0.05 -0.09 0.00 -2.96 0.00 0.00 64.34 61.31 1wfj n VAL 99 Cb 0.76 -0.71 -0.15 0.00 -1.06 0.00 0.00 33.84 32.68 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 -1.66 0.67 -0.03 1.45 3.72 0.08 -1.89 117.46 119.80 1wfj n PHE 100 Ca 0.05 0.24 -0.16 0.00 -0.05 0.00 0.00 57.45 57.54 1wfj n PHE 100 Cb 0.29 -1.12 -0.14 0.00 -0.94 0.00 0.00 39.48 37.57 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 -2.94 1.65 0.04 -4.37 0.24 -0.92 -4.26 118.33 107.77 1wfj n VAL 101 Ca -0.22 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.34 61.25 1wfj n VAL 101 Cb 1.08 -1.36 -0.14 0.00 -1.47 0.00 0.00 33.84 31.96 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1wfj h GLU 102 N 0.03 0.13 0.00 7.34 4.39 -0.47 -3.48 114.58 122.53 1wfj h GLU 102 Ca -0.42 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1wfj h GLU 102 Cb 2.03 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1wfj h GLU 102 CO 0.06 0.96 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 1wfj n GLY 103 N 1.56 1.96 3.65 -3.84 0.00 -0.79 -4.93 105.19 102.79 1wfj n GLY 103 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.35 -0.34 -0.01 1.61 1.04 -1.24 -2.87 113.70 108.54 1wfj s SER 104 Ca 0.00 0.54 0.06 0.00 0.48 0.00 0.00 55.95 57.03 1wfj s SER 104 Cb 0.00 1.10 -0.01 0.00 0.10 0.00 0.00 66.02 67.21 1wfj s SER 104 CO 0.00 -0.09 -0.19 -0.63 0.98 0.00 0.00 173.24 173.31 1wfj s ILE 105 N 1.16 1.49 0.93 -1.02 -1.09 0.52 -4.90 121.20 118.29 1wfj s ILE 105 Ca -0.08 -0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 57.39 1wfj s ILE 105 Cb -0.03 -1.24 0.15 0.00 -1.58 0.00 0.00 42.46 39.75 1wfj s ILE 105 CO -0.13 0.41 1.15 -2.16 -1.23 0.00 0.00 174.94 172.98 1wfj s PRO 106 N -0.47 0.99 -0.52 2.79 0.04 -1.26 -1.76 135.00 134.81 1wfj s PRO 106 Ca 0.07 0.24 -0.28 0.00 0.04 0.00 0.00 61.00 61.07 1wfj s PRO 106 Cb -0.07 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1wfj s PRO 106 CO -0.01 -2.29 1.47 -1.25 0.04 0.00 0.00 177.00 174.97 1wfj s PRO 107 N -5.32 3.30 0.12 0.56 0.04 -1.26 -4.29 135.00 128.16 1wfj s PRO 107 Ca 0.65 0.62 0.09 0.00 0.04 0.00 0.00 61.00 62.40 1wfj s PRO 107 Cb -0.14 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1wfj s PRO 107 CO 0.53 -1.92 -0.20 0.99 0.04 0.00 0.00 177.00 176.44 1wfj s THR 108 N 6.22 2.70 -0.64 1.26 2.01 -1.08 -4.75 115.64 121.36 1wfj s THR 108 Ca 0.57 -1.55 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 1wfj s THR 108 Cb -0.12 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1wfj s THR 108 CO 0.27 0.11 1.16 0.00 -0.69 0.00 0.00 174.62 175.47 1wfj s ALA 109 N -1.11 2.95 0.08 7.40 0.00 -1.26 -1.89 121.76 127.93 1wfj s ALA 109 Ca 0.17 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.67 1wfj s ALA 109 Cb -0.10 -4.05 -0.06 0.00 0.00 0.00 0.00 23.12 18.91 1wfj s ALA 109 CO 0.09 -2.85 0.87 0.71 0.00 0.00 0.00 175.76 174.57 1wfj s TYR 110 N 4.99 3.78 0.03 0.00 2.02 0.32 -4.59 117.35 123.90 1wfj s TYR 110 Ca 0.36 1.65 -0.38 0.00 -0.37 0.00 0.00 57.07 58.34 1wfj s TYR 110 Cb -0.09 -2.94 -0.17 0.00 -0.40 0.00 0.00 41.96 38.35 1wfj s TYR 110 CO 0.19 0.25 1.35 0.09 -1.57 0.00 0.00 175.55 175.85 1wfj n ASN 111 N 2.76 1.49 -4.22 2.29 4.13 -1.26 0.38 115.26 120.83 1wfj n ASN 111 Ca -0.00 1.12 -0.35 0.00 1.68 0.00 0.00 54.58 57.03 1wfj n ASN 111 Cb 0.50 -1.15 -0.14 0.00 -1.54 0.00 0.00 39.78 37.45 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 0.73 3.09 0.43 2.41 1.01 0.93 -4.30 120.40 124.70 1wfj s VAL 112 Ca 0.87 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1wfj s VAL 112 Cb -1.01 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1wfj s VAL 112 CO 0.50 0.11 0.19 0.68 0.00 0.00 0.00 175.10 176.59 1wfj s VAL 113 N 1.34 2.15 -0.38 2.92 -7.23 -0.06 0.19 120.40 119.33 1wfj s VAL 113 Ca -0.01 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1wfj s VAL 113 Cb -0.17 -2.85 0.16 0.00 0.56 0.00 0.00 36.38 34.08 1wfj s VAL 113 CO -0.03 0.00 0.46 -0.75 -0.31 0.00 0.00 175.10 174.48 1wfj s LYS 114 N -3.94 0.69 0.00 4.82 2.47 0.72 -0.43 119.74 124.07 1wfj s LYS 114 Ca 0.38 -0.61 0.00 0.00 -1.56 0.00 0.00 55.97 54.18 1wfj s LYS 114 Cb 0.03 -0.42 0.00 0.00 -1.46 0.00 0.00 37.83 35.98 1wfj s LYS 114 CO 0.21 -1.19 0.00 -3.47 0.16 0.00 0.00 175.35 171.06 1wfj n ASP 115 N 4.36 0.00 0.00 1.43 2.03 -1.26 -3.41 116.55 119.70 1wfj n ASP 115 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1wfj n ASP 115 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wfj n GLU 116 N -0.72 0.00 -3.04 -0.67 0.28 -1.26 -5.14 120.64 110.09 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 4.47 -0.69 3.44 2.02 -1.22 -4.99 118.70 121.72 1wfj s GLU 117 Ca 0.00 1.03 -0.27 0.00 0.02 0.00 0.00 54.97 55.75 1wfj s GLU 117 Cb 0.00 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.95 1wfj s GLU 117 CO 0.00 0.46 1.43 -0.47 0.02 0.00 0.00 175.26 176.70 1wfj s TYR 118 N -0.68 2.13 0.01 1.61 5.04 -1.26 -0.20 117.35 124.01 1wfj s TYR 118 Ca 0.35 0.20 -0.26 0.00 -2.44 0.00 0.00 57.07 54.92 1wfj s TYR 118 Cb -0.21 -4.48 -0.15 0.00 0.35 0.00 0.00 41.96 37.47 1wfj s TYR 118 CO 0.23 -2.12 1.13 0.87 -1.34 0.00 0.00 175.55 174.32 1wfj h LYS 119 N 11.32 -0.84 0.00 4.97 1.79 0.18 -3.48 116.57 130.51 1wfj h LYS 119 Ca -0.27 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1wfj h LYS 119 Cb 1.08 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1wfj h LYS 119 CO 1.26 -0.53 0.00 0.41 -1.08 0.00 0.00 179.45 179.50 1wfj n GLY 120 N -0.61 0.79 3.25 3.86 0.00 -0.28 -4.09 105.19 108.12 1wfj n GLY 120 Ca -0.12 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 3.43 0.58 -0.18 1.61 -1.05 -0.55 -0.05 118.70 122.49 1wfj s GLU 121 Ca 0.00 0.12 -0.00 0.00 -0.15 0.00 0.00 54.97 54.94 1wfj s GLU 121 Cb 0.00 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1wfj s GLU 121 CO 0.00 -0.13 -0.15 -1.50 0.95 0.00 0.00 175.26 174.43 1wfj s ILE 122 N -0.67 2.61 -0.18 1.83 2.07 0.16 0.04 121.20 127.05 1wfj s ILE 122 Ca -0.08 -0.77 -0.25 0.00 -1.41 0.00 0.00 60.65 58.14 1wfj s ILE 122 Cb -0.04 -2.12 -0.01 0.00 0.13 0.00 0.00 42.46 40.42 1wfj s ILE 122 CO 0.03 0.50 0.82 0.26 -1.91 0.00 0.00 174.94 174.64 1wfj s TRP 123 N 1.11 3.40 -0.18 3.50 0.52 0.52 0.12 118.94 127.93 1wfj s TRP 123 Ca 0.00 1.22 -0.15 0.00 0.02 0.00 0.00 56.10 57.19 1wfj s TRP 123 Cb -0.14 -3.00 0.05 0.00 -1.15 0.00 0.00 33.47 29.22 1wfj s TRP 123 CO -0.05 -0.26 0.47 0.08 0.02 0.00 0.00 176.95 177.21 1wfj s VAL 124 N 2.22 -0.01 -0.05 4.03 1.01 -0.79 -1.84 120.40 124.98 1wfj s VAL 124 Ca 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1wfj s VAL 124 Cb -0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1wfj s VAL 124 CO 0.11 0.01 0.09 0.00 0.00 0.00 0.00 175.10 175.31 1wfj s ALA 125 N 0.60 3.64 -0.09 5.51 0.00 -0.51 -2.62 121.76 128.30 1wfj s ALA 125 Ca -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1wfj s ALA 125 Cb -0.05 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1wfj s ALA 125 CO -0.04 0.66 -0.19 -0.51 0.00 0.00 0.00 175.76 175.68 1wfj s LEU 126 N -1.40 2.39 -0.26 0.00 1.43 -0.72 0.41 118.68 120.54 1wfj s LEU 126 Ca 0.19 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1wfj s LEU 126 Cb -0.12 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.70 1wfj s LEU 126 CO 0.09 0.22 0.12 -0.44 0.23 0.00 0.00 176.35 176.57 1wfj s SER 127 N -0.02 3.25 0.41 2.29 0.01 0.19 0.19 113.70 120.02 1wfj s SER 127 Ca -0.06 -1.13 -0.12 0.00 1.31 0.00 0.00 55.95 55.95 1wfj s SER 127 Cb -0.15 -0.35 -0.07 0.00 0.21 0.00 0.00 66.02 65.66 1wfj s SER 127 CO 0.05 -0.41 0.80 0.12 0.41 0.00 0.00 173.24 174.20 1wfj s PHE 128 N 2.08 3.45 -0.36 2.43 5.36 -1.14 0.16 117.98 129.97 1wfj s PHE 128 Ca 0.07 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1wfj s PHE 128 Cb -0.16 -2.51 0.13 0.00 -0.34 0.00 0.00 43.02 40.14 1wfj s PHE 128 CO -0.29 -0.11 0.20 0.15 -1.46 0.00 0.00 175.22 173.72 1wfj s LYS 129 N -3.71 0.67 0.35 10.12 1.02 0.49 -4.70 119.74 123.99 1wfj s LYS 129 Ca 0.53 -1.38 -0.26 0.00 0.02 0.00 0.00 55.97 54.87 1wfj s LYS 129 Cb -0.10 -1.53 -0.09 0.00 -0.52 0.00 0.00 37.83 35.59 1wfj s LYS 129 CO 0.29 -1.17 1.07 -1.25 -0.92 0.00 0.00 175.35 173.36 1wfj s PRO 130 N 1.04 4.36 -1.12 -1.68 0.04 -1.26 0.12 135.00 136.49 1wfj s PRO 130 Ca 0.17 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 1wfj s PRO 130 Cb -0.22 -2.81 -0.13 0.00 0.04 0.00 0.00 34.50 31.38 1wfj s PRO 130 CO -0.03 0.01 2.01 0.45 0.04 0.00 0.00 177.00 179.47 1wfj s SER 131 N -1.29 4.50 0.00 6.66 0.15 -1.13 -4.88 113.70 117.71 1wfj s SER 131 Ca 0.52 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1wfj s SER 131 Cb -0.26 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1wfj s SER 131 CO 0.33 -3.62 0.00 0.61 1.20 0.00 0.00 173.24 171.76 1wfj n GLY 132 N 6.01 0.28 3.57 9.45 0.00 -1.26 -4.83 105.19 118.41 1wfj n GLY 132 Ca 0.43 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 3.17 0.28 1.61 0.04 -1.26 -4.72 135.00 134.12 1wfj s PRO 133 Ca 0.00 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1wfj s PRO 133 Cb 0.00 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1wfj s PRO 133 CO 0.00 -2.92 0.00 0.45 0.04 0.00 0.00 177.00 174.57 1wfj n SER 134 N 11.32 -4.48 -4.60 6.66 2.88 -1.26 -4.77 113.62 119.36 1wfj n SER 134 Ca 0.41 0.79 -0.43 0.00 -1.33 0.00 0.00 58.87 58.32 1wfj n SER 134 Cb 0.48 -1.98 -0.02 0.00 -0.75 0.00 0.00 64.21 61.94 1wfj n SER 134 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfj s SER 135 N -3.53 6.63 0.00 -3.46 1.04 -1.26 -5.08 113.70 108.03 1wfj s SER 135 Ca 0.00 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1wfj s SER 135 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1wfj s SER 135 CO 0.00 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.59