#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf6 s SER 2 N 0.00 -0.02 0.14 1.61 0.01 -1.26 -5.17 113.70 109.01 1wf6 s SER 2 Ca 0.00 -0.27 -0.25 0.00 1.31 0.00 0.00 55.95 56.74 1wf6 s SER 2 Cb 0.00 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.59 1wf6 s SER 2 CO 0.00 -0.54 0.87 -0.55 0.41 0.00 0.00 173.24 173.43 1wf6 s SER 3 N -1.94 -0.27 0.00 2.44 0.15 -1.26 -5.19 113.70 107.64 1wf6 s SER 3 Ca -0.07 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wf6 s SER 3 Cb -0.02 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1wf6 s SER 3 CO -0.02 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1wf6 n GLY 4 N -0.41 4.34 3.64 9.45 0.00 -1.26 -5.16 105.19 115.79 1wf6 n GLY 4 Ca -0.07 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.83 1wf6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf6 s SER 5 N -0.38 -0.04 -0.19 1.61 1.04 -1.26 -5.19 113.70 109.29 1wf6 s SER 5 Ca 0.00 0.05 -0.33 0.00 0.48 0.00 0.00 55.95 56.15 1wf6 s SER 5 Cb 0.00 0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.31 1wf6 s SER 5 CO 0.00 -0.03 1.18 -0.55 0.98 0.00 0.00 173.24 174.83 1wf6 s SER 6 N -0.71 -0.17 0.00 7.02 0.15 -1.26 -5.19 113.70 113.54 1wf6 s SER 6 Ca 0.08 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1wf6 s SER 6 Cb -0.02 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1wf6 s SER 6 CO -0.10 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1wf6 n GLY 7 N 0.15 2.63 3.90 9.45 0.00 -1.26 -5.16 105.19 114.90 1wf6 n GLY 7 Ca -0.02 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1wf6 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf6 s SER 8 N 0.00 4.68 -0.42 1.61 0.01 -1.26 -5.06 113.70 113.26 1wf6 s SER 8 Ca 0.00 0.78 0.04 0.00 1.31 0.00 0.00 55.95 58.08 1wf6 s SER 8 Cb 0.00 -1.34 0.18 0.00 0.21 0.00 0.00 66.02 65.07 1wf6 s SER 8 CO 0.00 -1.78 0.36 1.21 0.41 0.00 0.00 173.24 173.44 1wf6 n GLU 9 N -3.22 0.29 -2.72 12.44 2.13 -1.26 -4.99 120.64 123.31 1wf6 n GLU 9 Ca 0.08 -3.23 -0.04 0.00 0.66 0.00 0.00 57.16 54.63 1wf6 n GLU 9 Cb 0.60 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.67 1wf6 n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1wf6 n SER 10 N 2.70 -2.61 -3.77 4.31 3.41 -1.26 -5.12 113.62 111.28 1wf6 n SER 10 Ca 0.29 -2.16 -0.27 0.00 -0.26 0.00 0.00 58.87 56.47 1wf6 n SER 10 Cb 0.48 1.34 -0.17 0.00 -0.26 0.00 0.00 64.21 65.61 1wf6 n SER 10 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wf6 s ILE 11 N 0.87 0.59 -0.00 -1.33 1.09 -1.26 -5.12 121.20 116.04 1wf6 s ILE 11 Ca 0.28 -0.44 -0.09 0.00 -1.10 0.00 0.00 60.65 59.30 1wf6 s ILE 11 Cb 0.07 -0.97 0.01 0.00 -1.06 0.00 0.00 42.46 40.50 1wf6 s ILE 11 CO -0.08 -0.06 0.18 0.00 -0.10 0.00 0.00 174.94 174.87 1wf6 s ASN 13 N -1.35 -0.11 -0.29 0.00 4.22 -1.26 -5.12 114.94 111.03 1wf6 s ASN 13 Ca -0.14 0.22 0.03 0.00 -2.14 0.00 0.00 52.86 50.82 1wf6 s ASN 13 Cb -0.07 0.21 0.20 0.00 1.28 0.00 0.00 41.25 42.86 1wf6 s ASN 13 CO 0.02 -0.05 0.62 -0.55 -2.04 0.00 0.00 177.10 175.11 1wf6 s SER 14 N 0.17 -1.48 0.15 3.54 0.15 -1.26 -5.16 113.70 109.81 1wf6 s SER 14 Ca -0.01 0.41 0.05 0.00 0.70 0.00 0.00 55.95 57.11 1wf6 s SER 14 Cb -0.02 2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 66.28 1wf6 s SER 14 CO -0.00 -0.27 -0.12 -0.76 1.20 0.00 0.00 173.24 173.28 1wf6 s LEU 15 N 2.85 2.50 -0.14 3.45 1.02 -1.26 -5.14 118.68 121.96 1wf6 s LEU 15 Ca 0.14 -0.96 -0.05 0.00 0.02 0.00 0.00 54.13 53.28 1wf6 s LEU 15 Cb -0.11 -0.45 0.07 0.00 0.02 0.00 0.00 46.19 45.71 1wf6 s LEU 15 CO -0.24 -0.26 0.27 0.20 0.02 0.00 0.00 176.35 176.35 1wf6 s ASN 16 N -3.00 0.33 -0.15 2.29 0.01 -1.26 -5.11 114.94 108.06 1wf6 s ASN 16 Ca 0.15 0.60 -0.41 0.00 -0.71 0.00 0.00 52.86 52.49 1wf6 s ASN 16 Cb -0.00 0.74 -0.18 0.00 0.41 0.00 0.00 41.25 42.22 1wf6 s ASN 16 CO 0.02 -0.24 1.39 -1.20 -1.51 0.00 0.00 177.10 175.56 1wf6 n SER 17 N 5.35 1.12 -4.62 -1.22 7.64 -1.26 -4.90 113.62 115.73 1wf6 n SER 17 Ca -0.06 1.14 -0.36 0.00 1.01 0.00 0.00 58.87 60.60 1wf6 n SER 17 Cb 0.50 -1.02 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 1wf6 n SER 17 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1wf6 s LYS 18 N 1.49 3.99 0.60 1.43 -2.85 -1.26 -4.94 119.74 118.20 1wf6 s LYS 18 Ca 0.94 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 1wf6 s LYS 18 Cb -1.21 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 31.08 1wf6 s LYS 18 CO 0.62 0.04 0.00 1.28 0.10 0.00 0.00 175.35 177.39 1wf6 n LEU 19 N 4.32 -1.66 -4.67 2.77 4.32 -1.26 -4.56 117.00 116.26 1wf6 n LEU 19 Ca -0.15 2.86 -0.40 0.00 -0.02 0.00 0.00 56.01 58.29 1wf6 n LEU 19 Cb 0.52 -3.17 0.02 0.00 -1.62 0.00 0.00 43.42 39.17 1wf6 n LEU 19 CO 0.34 -0.90 0.78 -0.62 -1.22 0.00 0.00 177.39 175.77 1wf6 n GLU 20 N -2.71 1.58 -0.95 3.23 1.02 -1.26 -4.80 120.64 116.74 1wf6 n GLU 20 Ca -0.00 0.57 -0.26 0.00 -0.02 0.00 0.00 57.16 57.44 1wf6 n GLU 20 Cb 0.50 -2.31 -0.04 0.00 -0.02 0.00 0.00 31.44 29.57 1wf6 n GLU 20 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wf6 n PRO 21 N -0.32 2.60 -2.82 3.49 -0.04 -1.26 -4.72 135.00 131.93 1wf6 n PRO 21 Ca 0.09 -1.63 -0.20 0.00 -0.04 0.00 0.00 63.50 61.72 1wf6 n PRO 21 Cb 0.42 -2.50 0.05 0.00 -0.04 0.00 0.00 33.50 31.43 1wf6 n PRO 21 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wf6 s THR 22 N 2.69 2.50 0.02 0.52 -4.23 -1.26 -4.60 115.64 111.28 1wf6 s THR 22 Ca 0.52 -0.81 -0.22 0.00 -1.18 0.00 0.00 61.69 60.00 1wf6 s THR 22 Cb 0.15 -2.68 -0.12 0.00 1.34 0.00 0.00 72.50 71.19 1wf6 s THR 22 CO -0.04 0.00 1.15 0.25 -0.54 0.00 0.00 174.62 175.44 1wf6 h LEU 23 N 0.10 -0.66 -0.98 4.79 7.12 -1.95 -3.05 115.31 120.68 1wf6 h LEU 23 Ca -0.37 0.02 0.13 0.00 0.13 0.00 0.00 57.88 57.79 1wf6 h LEU 23 Cb 1.28 0.17 -0.14 0.00 -0.53 0.00 0.00 40.66 41.44 1wf6 h LEU 23 CO 0.45 -0.41 -0.47 -0.33 -0.13 0.00 0.00 178.44 177.54 1wf6 h GLU 24 N -0.90 -0.01 -2.61 1.25 5.08 -1.96 0.23 114.58 115.65 1wf6 h GLU 24 Ca -0.08 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.59 1wf6 h GLU 24 Cb 0.60 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 1wf6 h GLU 24 CO 0.13 -0.01 2.42 0.09 -1.00 0.00 0.00 179.01 180.65 1wf6 n ASN 25 N -5.38 7.97 -0.09 1.42 3.02 -1.21 -4.28 115.26 116.70 1wf6 n ASN 25 Ca 0.07 -3.03 -0.14 0.00 -0.03 0.00 0.00 54.58 51.45 1wf6 n ASN 25 Cb 0.34 -1.39 -0.14 0.00 -0.61 0.00 0.00 39.78 37.99 1wf6 n ASN 25 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wf6 n LEU 26 N 2.00 1.62 -0.02 3.41 7.94 0.80 -3.06 117.00 129.68 1wf6 n LEU 26 Ca 0.64 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.42 1wf6 n LEU 26 Cb 0.29 -0.30 -0.07 0.00 0.53 0.00 0.00 43.42 43.87 1wf6 n LEU 26 CO 0.67 0.71 0.75 -0.33 -1.11 0.00 0.00 177.39 178.08 1wf6 h GLU 27 N 0.01 0.15 0.00 1.96 5.08 -1.80 -2.91 114.58 117.07 1wf6 h GLU 27 Ca -0.52 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.66 1wf6 h GLU 27 Cb 2.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 1wf6 h GLU 27 CO -0.01 0.39 -0.60 -0.91 -1.00 0.00 0.00 179.01 176.88 1wf6 h ASN 28 N -0.11 0.00 -2.00 1.42 2.35 -1.89 -3.45 115.58 111.90 1wf6 h ASN 28 Ca 0.03 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.15 1wf6 h ASN 28 Cb 0.32 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.81 1wf6 h ASN 28 CO 0.00 0.60 -0.19 -0.11 -1.65 0.00 0.00 177.43 176.09 1wf6 n LEU 29 N -3.67 0.46 -4.18 1.61 7.94 -1.10 -4.87 117.00 113.19 1wf6 n LEU 29 Ca -0.01 1.10 -0.40 0.00 -1.11 0.00 0.00 56.01 55.60 1wf6 n LEU 29 Cb 0.63 -1.15 -0.08 0.00 0.53 0.00 0.00 43.42 43.36 1wf6 n LEU 29 CO 0.41 -2.21 0.10 -0.62 -1.11 0.00 0.00 177.39 173.96 1wf6 s ASP 30 N -0.78 5.71 0.39 1.96 2.15 -1.26 -4.91 116.67 119.94 1wf6 s ASP 30 Ca 0.61 -2.51 0.14 0.00 0.43 0.00 0.00 52.55 51.22 1wf6 s ASP 30 Cb -0.75 -1.98 0.99 0.00 -0.30 0.00 0.00 42.92 40.89 1wf6 s ASP 30 CO 0.58 -0.52 1.85 1.62 -0.17 0.00 0.00 175.17 178.54 1wf6 h VAL 31 N 5.46 0.72 0.00 1.11 3.04 -1.92 1.42 116.25 126.08 1wf6 h VAL 31 Ca -0.05 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1wf6 h VAL 31 Cb 1.01 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1wf6 h VAL 31 CO 0.76 0.09 0.00 -0.24 -1.01 0.00 0.00 177.57 177.17 1wf6 n SER 32 N -4.55 0.12 -0.03 3.17 2.88 -1.26 -1.76 113.62 112.19 1wf6 n SER 32 Ca 0.19 0.54 -0.15 0.00 -1.33 0.00 0.00 58.87 58.13 1wf6 n SER 32 Cb 0.63 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 63.43 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wf6 h ALA 33 N 2.19 0.10 -1.67 -1.46 0.00 0.16 -3.44 119.26 115.13 1wf6 h ALA 33 Ca 0.00 -0.43 -0.69 0.00 0.00 0.00 0.00 54.91 53.79 1wf6 h ALA 33 Cb 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.94 1wf6 h ALA 33 CO 0.00 0.12 0.63 1.19 0.00 0.00 0.00 179.25 181.19 1wf6 n PHE 34 N -4.49 1.74 0.98 0.00 3.72 -0.72 -4.83 117.46 113.87 1wf6 n PHE 34 Ca -0.09 0.57 0.11 0.00 -0.05 0.00 0.00 57.45 57.99 1wf6 n PHE 34 Cb 0.47 -2.39 0.32 0.00 -0.94 0.00 0.00 39.48 36.94 1wf6 n PHE 34 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wf6 n GLN 35 N 3.62 1.93 -0.88 -1.08 6.02 -1.24 -4.96 117.38 120.78 1wf6 n GLN 35 Ca 0.21 -1.40 -0.36 0.00 -0.01 0.00 0.00 57.00 55.44 1wf6 n GLN 35 Cb 0.18 -1.42 0.08 0.00 1.02 0.00 0.00 30.24 30.10 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wf6 n ALA 36 N 0.63 -4.99 -1.54 -1.58 0.00 -1.20 -4.93 120.51 106.90 1wf6 n ALA 36 Ca 0.17 -1.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.14 1wf6 n ALA 36 Cb 0.40 -1.16 0.12 0.00 0.00 0.00 0.00 19.45 18.81 1wf6 n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wf6 s PRO 37 N -2.58 1.56 -0.01 0.00 0.04 -1.26 -4.94 135.00 127.82 1wf6 s PRO 37 Ca 0.44 0.45 0.07 0.00 0.04 0.00 0.00 61.00 62.01 1wf6 s PRO 37 Cb -0.03 -1.87 0.22 0.00 0.04 0.00 0.00 34.50 32.85 1wf6 s PRO 37 CO 0.69 -1.94 1.16 0.39 0.04 0.00 0.00 177.00 177.34 1wf6 n GLU 38 N -3.62 1.62 -0.74 4.56 1.02 -1.25 -3.27 120.64 118.96 1wf6 n GLU 38 Ca 0.07 -0.89 0.01 0.00 -0.02 0.00 0.00 57.16 56.33 1wf6 n GLU 38 Cb 0.58 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1wf6 n GLU 38 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wf6 n ASP 39 N 0.21 0.20 -0.09 1.62 9.92 -1.15 -3.89 116.55 123.37 1wf6 n ASP 39 Ca 0.08 -1.91 -0.03 0.00 -0.53 0.00 0.00 54.79 52.40 1wf6 n ASP 39 Cb 0.23 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 1wf6 n ASP 39 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1wf6 h LEU 40 N 0.23 -0.56 -5.16 0.64 5.85 0.13 0.62 115.31 117.06 1wf6 h LEU 40 Ca -0.07 0.08 -0.65 0.00 0.84 0.00 0.00 57.88 58.08 1wf6 h LEU 40 Cb 1.48 0.24 -0.19 0.00 0.37 0.00 0.00 40.66 42.56 1wf6 h LEU 40 CO 0.01 -0.08 1.18 0.18 -0.34 0.00 0.00 178.44 179.40 1wf6 n LEU 41 N -3.55 7.23 -4.71 2.25 4.77 0.21 -4.88 117.00 118.32 1wf6 n LEU 41 Ca 0.00 -4.61 -0.42 0.00 -0.03 0.00 0.00 56.01 50.95 1wf6 n LEU 41 Cb 0.08 -1.24 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1wf6 n LEU 41 CO -0.03 1.88 1.23 -0.62 -1.33 0.00 0.00 177.39 178.51 1wf6 s ASP 42 N -0.10 6.65 -1.49 -1.43 2.15 0.21 -1.11 116.67 121.55 1wf6 s ASP 42 Ca 0.54 2.49 -0.12 0.00 0.43 0.00 0.00 52.55 55.89 1wf6 s ASP 42 Cb 0.31 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 1wf6 s ASP 42 CO -0.21 -0.81 1.03 0.61 -0.17 0.00 0.00 175.17 175.63 1wf6 n GLY 43 N 3.78 -0.51 3.02 2.66 0.00 -1.26 -4.96 105.19 107.92 1wf6 n GLY 43 Ca 0.14 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 1wf6 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf6 s ARG 45 N 1.35 3.25 0.21 0.00 0.52 -1.26 -1.21 118.95 121.81 1wf6 s ARG 45 Ca -0.01 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 54.70 1wf6 s ARG 45 Cb -0.16 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.34 1wf6 s ARG 45 CO -0.08 -0.81 0.01 0.42 0.02 0.00 0.00 175.30 174.85 1wf6 s ILE 46 N 2.27 3.67 -0.15 1.52 1.09 -0.82 0.15 121.20 128.93 1wf6 s ILE 46 Ca 0.15 -1.58 0.02 0.00 -1.10 0.00 0.00 60.65 58.14 1wf6 s ILE 46 Cb -0.16 -2.89 0.01 0.00 -1.06 0.00 0.00 42.46 38.36 1wf6 s ILE 46 CO 0.14 -0.21 -0.21 -0.47 -0.10 0.00 0.00 174.94 174.10 1wf6 s TYR 47 N -1.93 2.68 -0.13 3.97 5.04 0.13 -0.63 117.35 126.48 1wf6 s TYR 47 Ca 0.29 -1.44 -0.17 0.00 -2.44 0.00 0.00 57.07 53.30 1wf6 s TYR 47 Cb -0.08 -1.84 -0.04 0.00 0.35 0.00 0.00 41.96 40.35 1wf6 s TYR 47 CO 0.19 -0.68 0.45 -0.51 -1.34 0.00 0.00 175.55 173.66 1wf6 s LEU 48 N 0.99 4.26 -0.07 6.97 1.43 -1.26 -0.01 118.68 131.00 1wf6 s LEU 48 Ca -0.03 0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1wf6 s LEU 48 Cb -0.15 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.45 1wf6 s LEU 48 CO -0.06 0.01 0.19 0.00 0.23 0.00 0.00 176.35 176.72 1wf6 n GLY 50 N 3.09 -1.05 0.35 0.00 0.00 -1.25 -1.91 105.19 104.42 1wf6 n GLY 50 Ca -0.14 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wf6 n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wf6 n PHE 51 N -1.75 -0.16 -1.10 1.61 3.72 -1.26 -2.17 117.46 116.34 1wf6 n PHE 51 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1wf6 n PHE 51 Cb 0.51 0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 39.09 1wf6 n PHE 51 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wf6 n SER 52 N -1.26 -5.89 0.00 4.37 3.41 -1.26 -4.51 113.62 108.48 1wf6 n SER 52 Ca 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1wf6 n SER 52 Cb 0.00 -3.51 0.00 0.00 -0.26 0.00 0.00 64.21 60.44 1wf6 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf6 n GLY 53 N -3.40 0.93 0.20 5.00 0.00 -1.26 -2.00 105.19 104.67 1wf6 n GLY 53 Ca -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 1wf6 n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wf6 h ARG 54 N 0.00 0.38 -0.99 1.61 3.08 -1.98 -1.56 114.38 114.92 1wf6 h ARG 54 Ca 0.00 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.23 1wf6 h ARG 54 Cb 0.00 -0.08 -0.19 0.00 0.08 0.00 0.00 29.97 29.78 1wf6 h ARG 54 CO 0.00 0.25 -0.25 0.87 -1.07 0.00 0.00 179.97 179.77 1wf6 h LYS 55 N 0.39 0.00 0.51 0.04 1.57 -1.84 0.62 116.57 117.85 1wf6 h LYS 55 Ca 0.24 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1wf6 h LYS 55 Cb 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1wf6 h LYS 55 CO -0.23 0.00 -0.24 1.25 -0.57 0.00 0.00 179.45 179.65 1wf6 h LEU 56 N 0.00 -0.58 -1.00 2.94 5.85 -0.68 -2.90 115.31 118.94 1wf6 h LEU 56 Ca 0.48 -0.07 0.36 0.00 0.84 0.00 0.00 57.88 59.49 1wf6 h LEU 56 Cb 0.72 0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.72 1wf6 h LEU 56 CO -1.02 -0.22 0.38 -0.78 -0.34 0.00 0.00 178.44 176.46 1wf6 h ASP 57 N -0.99 0.08 0.00 1.25 1.82 0.22 0.20 116.42 118.99 1wf6 h ASP 57 Ca -0.07 0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1wf6 h ASP 57 Cb 0.61 0.33 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1wf6 h ASP 57 CO 0.11 -0.39 0.00 0.29 -1.61 0.00 0.00 179.24 177.64 1wf6 n LYS 58 N -5.32 0.00 -0.32 0.28 4.76 0.18 -0.91 118.16 116.84 1wf6 n LYS 58 Ca 0.33 0.52 0.07 0.00 -2.87 0.00 0.00 58.31 56.36 1wf6 n LYS 58 Cb 1.10 -1.40 0.17 0.00 -1.84 0.00 0.00 35.03 33.05 1wf6 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1wf6 h LEU 59 N 0.00 -0.68 -0.99 -0.35 4.07 -0.83 1.69 115.31 118.22 1wf6 h LEU 59 Ca 0.00 0.26 0.22 0.00 0.08 0.00 0.00 57.88 58.44 1wf6 h LEU 59 Cb 0.00 0.51 -0.12 0.00 1.08 0.00 0.00 40.66 42.13 1wf6 h LEU 59 CO 0.00 -0.29 0.57 0.03 -1.08 0.00 0.00 178.44 177.67 1wf6 h ARG 60 N 0.02 0.60 0.16 1.13 3.08 -0.40 0.88 114.38 119.84 1wf6 h ARG 60 Ca 0.47 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 60.19 1wf6 h ARG 60 Cb 0.80 -0.14 0.03 0.00 0.08 0.00 0.00 29.97 30.75 1wf6 h ARG 60 CO -0.89 0.40 -1.24 0.00 -1.07 0.00 0.00 179.97 177.16 1wf6 h ARG 61 N 0.62 0.57 0.41 0.04 3.08 0.41 -3.06 114.38 116.44 1wf6 h ARG 61 Ca 0.61 -0.82 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1wf6 h ARG 61 Cb 1.09 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1wf6 h ARG 61 CO -0.45 1.38 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.56 1wf6 h LEU 62 N 0.16 -0.46 -0.96 3.04 4.07 0.23 0.40 115.31 121.78 1wf6 h LEU 62 Ca -0.20 0.02 0.14 0.00 0.08 0.00 0.00 57.88 57.92 1wf6 h LEU 62 Cb 1.93 0.12 -0.15 0.00 1.08 0.00 0.00 40.66 43.64 1wf6 h LEU 62 CO 0.24 -0.32 -0.40 -0.38 -1.08 0.00 0.00 178.44 176.50 1wf6 n ILE 63 N -3.52 -0.52 -0.19 1.22 5.41 0.28 0.18 119.36 122.22 1wf6 n ILE 63 Ca -0.07 2.27 -0.03 0.00 1.00 0.00 0.00 62.75 65.92 1wf6 n ILE 63 Cb 0.22 -2.98 0.07 0.00 -0.71 0.00 0.00 39.64 36.24 1wf6 n ILE 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1wf6 h ASN 64 N 0.00 0.42 -0.05 4.38 -0.73 -1.44 0.63 115.58 118.80 1wf6 h ASN 64 Ca 0.32 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.53 1wf6 h ASN 64 Cb 0.56 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.10 1wf6 h ASN 64 CO -0.95 0.28 0.08 -1.28 -0.37 0.00 0.00 177.43 175.19 1wf6 h SER 65 N 0.56 0.00 0.15 1.15 0.87 0.64 0.20 113.55 117.12 1wf6 h SER 65 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wf6 h SER 65 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wf6 h SER 65 CO -0.18 0.00 -1.33 0.61 -0.53 0.00 0.00 176.83 175.41 1wf6 n GLY 66 N -1.27 -1.07 0.42 5.77 0.00 0.12 -3.89 105.19 105.26 1wf6 n GLY 66 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1wf6 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf6 n GLY 67 N 1.38 2.14 3.30 -0.02 0.00 0.19 0.15 105.19 112.32 1wf6 n GLY 67 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1wf6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf6 n GLY 68 N -2.00 -2.41 3.15 -0.02 0.00 -0.08 -4.56 105.19 99.27 1wf6 n GLY 68 Ca 0.00 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1wf6 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wf6 s VAL 69 N -2.27 2.38 -0.58 1.61 1.01 -0.35 -4.23 120.40 117.98 1wf6 s VAL 69 Ca 0.56 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1wf6 s VAL 69 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1wf6 s VAL 69 CO 0.66 0.39 1.29 -0.60 0.00 0.00 0.00 175.10 176.85 1wf6 s ARG 70 N 1.30 3.42 -0.01 2.72 3.52 -1.26 -1.94 118.95 126.70 1wf6 s ARG 70 Ca 0.03 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.65 1wf6 s ARG 70 Cb -0.15 -4.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 1wf6 s ARG 70 CO -0.09 -1.80 0.99 -0.06 -0.81 0.00 0.00 175.30 173.53 1wf6 s PHE 71 N 5.42 3.63 -1.93 5.12 0.40 0.19 -4.91 117.98 125.91 1wf6 s PHE 71 Ca 0.47 1.67 0.18 0.00 -0.60 0.00 0.00 56.93 58.65 1wf6 s PHE 71 Cb -0.09 -3.14 0.54 0.00 0.51 0.00 0.00 43.02 40.84 1wf6 s PHE 71 CO 0.25 -0.10 1.45 0.09 0.70 0.00 0.00 175.22 177.61 1wf6 n ASN 72 N 4.01 3.30 -3.91 1.36 4.13 -1.26 -4.01 115.26 118.88 1wf6 n ASN 72 Ca 0.06 -2.03 -0.10 0.00 1.68 0.00 0.00 54.58 54.19 1wf6 n ASN 72 Cb 0.51 -0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 1wf6 n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf6 s GLN 73 N -1.24 0.42 -0.23 3.52 -2.07 -1.26 -5.11 119.66 113.68 1wf6 s GLN 73 Ca 0.41 -0.45 -0.17 0.00 -1.82 0.00 0.00 55.36 53.32 1wf6 s GLN 73 Cb 0.22 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.27 1wf6 s GLN 73 CO 0.27 -0.09 0.46 -1.17 -1.32 0.00 0.00 175.29 173.44 1wf6 s LEU 74 N -1.37 4.10 0.00 2.60 1.98 -1.26 -4.92 118.68 119.81 1wf6 s LEU 74 Ca -0.15 0.51 -0.06 0.00 -2.89 0.00 0.00 54.13 51.55 1wf6 s LEU 74 Cb -0.08 -2.60 0.02 0.00 0.66 0.00 0.00 46.19 44.20 1wf6 s LEU 74 CO 0.01 -0.19 0.47 0.59 -1.89 0.00 0.00 176.35 175.34 1wf6 n ASN 75 N 5.08 -1.35 0.16 3.68 3.02 -1.26 -4.93 115.26 119.65 1wf6 n ASN 75 Ca -0.06 -2.30 0.03 0.00 -0.03 0.00 0.00 54.58 52.23 1wf6 n ASN 75 Cb 0.50 2.36 0.22 0.00 -0.61 0.00 0.00 39.78 42.25 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1wf6 h GLU 76 N 0.00 0.00 -0.64 3.52 5.08 -1.96 -2.97 114.58 117.61 1wf6 h GLU 76 Ca -0.22 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1wf6 h GLU 76 Cb 0.90 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1wf6 h GLU 76 CO 0.29 0.48 0.42 -0.44 -1.00 0.00 0.00 179.01 178.77 1wf6 h ASP 77 N 0.00 0.50 -2.05 1.42 3.32 -1.97 -3.42 116.42 114.22 1wf6 h ASP 77 Ca -0.00 0.01 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1wf6 h ASP 77 Cb 1.08 -0.10 0.06 0.00 0.22 0.00 0.00 39.33 40.59 1wf6 h ASP 77 CO 0.06 0.32 0.65 0.52 -1.72 0.00 0.00 179.24 179.07 1wf6 n VAL 78 N -4.48 0.05 0.40 -1.35 0.31 -1.12 -4.73 118.33 107.40 1wf6 n VAL 78 Ca 0.10 -0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.49 1wf6 n VAL 78 Cb 0.29 -1.25 -0.11 0.00 -0.91 0.00 0.00 33.84 31.86 1wf6 n VAL 78 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wf6 n THR 79 N 2.99 0.00 -3.56 2.52 -2.24 0.41 -4.89 114.28 109.51 1wf6 n THR 79 Ca 0.17 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1wf6 n THR 79 Cb 0.25 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1wf6 n THR 79 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wf6 s HIS 80 N -2.78 -0.34 -0.24 4.78 3.76 -0.86 -4.08 115.29 115.54 1wf6 s HIS 80 Ca 0.00 0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 1wf6 s HIS 80 Cb 0.11 0.36 0.08 0.00 1.11 0.00 0.00 32.58 34.24 1wf6 s HIS 80 CO 0.66 -0.73 0.10 0.08 -0.85 0.00 0.00 174.74 174.00 1wf6 s VAL 81 N -3.54 0.04 -0.40 -0.90 1.01 0.18 0.21 120.40 117.00 1wf6 s VAL 81 Ca 0.01 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1wf6 s VAL 81 Cb 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1wf6 s VAL 81 CO -0.10 -0.51 0.88 -0.63 0.00 0.00 0.00 175.10 174.73 1wf6 s ILE 82 N 2.06 4.59 -0.12 2.22 -1.09 0.99 -0.84 121.20 129.01 1wf6 s ILE 82 Ca 0.05 0.91 -0.06 0.00 -2.23 0.00 0.00 60.65 59.33 1wf6 s ILE 82 Cb -0.16 -4.33 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 1wf6 s ILE 82 CO -0.23 -0.62 0.10 -0.69 -1.23 0.00 0.00 174.94 172.28 1wf6 s VAL 83 N 3.45 5.17 -0.23 2.92 1.01 0.31 -1.90 120.40 131.13 1wf6 s VAL 83 Ca 0.35 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 1wf6 s VAL 83 Cb -0.12 -3.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.89 1wf6 s VAL 83 CO 0.21 0.59 -0.25 0.61 0.00 0.00 0.00 175.10 176.26 1wf6 n GLY 84 N 2.25 -0.35 0.70 4.51 0.00 -0.80 -3.58 105.19 107.92 1wf6 n GLY 84 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1wf6 n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf6 n ASP 85 N -3.60 1.32 -3.63 1.61 8.00 -1.00 -5.00 116.55 114.25 1wf6 n ASP 85 Ca -0.43 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.02 1wf6 n ASP 85 Cb 0.88 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.96 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1wf6 s TYR 86 N -1.90 -0.22 -0.31 1.24 -0.85 -1.26 -5.10 117.35 108.94 1wf6 s TYR 86 Ca 0.00 0.01 -0.00 0.00 -0.52 0.00 0.00 57.07 56.56 1wf6 s TYR 86 Cb 0.00 0.58 0.10 0.00 0.38 0.00 0.00 41.96 43.02 1wf6 s TYR 86 CO 0.00 -0.64 0.09 0.16 -1.52 0.00 0.00 175.55 173.64 1wf6 s ASP 87 N -2.71 4.12 -0.20 -0.18 -4.77 -1.26 -3.78 116.67 107.88 1wf6 s ASP 87 Ca 0.09 -1.70 -0.16 0.00 -3.30 0.00 0.00 52.55 47.49 1wf6 s ASP 87 Cb -0.01 -0.95 -0.11 0.00 -1.09 0.00 0.00 42.92 40.76 1wf6 s ASP 87 CO -0.03 -0.41 -0.11 0.47 0.70 0.00 0.00 175.17 175.78 1wf6 n ASP 88 N 4.78 1.88 -0.31 2.11 9.92 -1.26 -4.33 116.55 129.33 1wf6 n ASP 88 Ca -0.01 0.45 0.15 0.00 -0.53 0.00 0.00 54.79 54.86 1wf6 n ASP 88 Cb 0.42 -0.87 0.30 0.00 -0.64 0.00 0.00 41.12 40.33 1wf6 n ASP 88 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1wf6 n GLU 89 N -4.45 -0.07 -0.20 -1.24 2.13 -1.26 0.86 120.64 116.40 1wf6 n GLU 89 Ca -0.26 1.35 -0.09 0.00 0.66 0.00 0.00 57.16 58.81 1wf6 n GLU 89 Cb 0.57 -2.18 -0.05 0.00 0.27 0.00 0.00 31.44 30.05 1wf6 n GLU 89 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1wf6 h LEU 90 N 0.00 -1.59 -1.00 4.31 6.46 -1.99 0.62 115.31 122.12 1wf6 h LEU 90 Ca 0.58 0.25 0.33 0.00 -0.12 0.00 0.00 57.88 58.92 1wf6 h LEU 90 Cb 1.25 0.71 -0.18 0.00 -0.73 0.00 0.00 40.66 41.70 1wf6 h LEU 90 CO -0.84 -0.34 0.21 0.11 -0.62 0.00 0.00 178.44 176.96 1wf6 h LYS 91 N -0.25 0.00 -0.24 1.25 1.57 0.26 1.55 116.57 120.72 1wf6 h LYS 91 Ca 0.16 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1wf6 h LYS 91 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1wf6 h LYS 91 CO -0.68 0.00 0.05 1.96 -0.57 0.00 0.00 179.45 180.21 1wf6 h GLN 92 N 0.00 0.38 0.00 3.15 1.08 0.22 -2.12 115.11 117.82 1wf6 h GLN 92 Ca 0.69 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.77 1wf6 h GLN 92 Cb 1.61 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.99 1wf6 h GLN 92 CO -0.88 0.50 -0.12 0.35 -0.95 0.00 0.00 178.83 177.73 1wf6 h PHE 93 N 0.20 0.00 0.00 2.96 3.57 0.33 0.62 116.94 124.62 1wf6 h PHE 93 Ca 0.07 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1wf6 h PHE 93 Cb 0.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1wf6 h PHE 93 CO 0.01 0.12 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.48 1wf6 h TRP 94 N 0.00 0.00 -0.00 0.41 6.55 0.89 0.07 115.95 123.87 1wf6 h TRP 94 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wf6 h TRP 94 Cb 0.30 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 1wf6 h TRP 94 CO 0.00 0.24 -0.43 0.09 -1.05 0.00 0.00 178.44 177.29 1wf6 n ASN 95 N -3.26 0.78 0.00 -3.49 4.13 0.11 -4.47 115.26 109.07 1wf6 n ASN 95 Ca 0.01 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.69 1wf6 n ASN 95 Cb 0.53 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 39.02 1wf6 n ASN 95 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wf6 n LYS 96 N -1.12 0.00 -4.05 3.52 5.02 -0.64 -5.03 118.16 115.86 1wf6 n LYS 96 Ca 0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 1wf6 n LYS 96 Cb 0.34 -0.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.93 1wf6 n LYS 96 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wf6 s SER 97 N -3.26 5.81 -0.56 4.39 0.01 -0.04 -5.07 113.70 114.99 1wf6 s SER 97 Ca 0.00 -0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.01 1wf6 s SER 97 Cb 0.00 -1.59 0.13 0.00 0.21 0.00 0.00 66.02 64.78 1wf6 s SER 97 CO 0.00 -0.00 0.53 0.00 0.41 0.00 0.00 173.24 174.18 1wf6 s ALA 98 N -1.93 3.67 -0.09 1.44 0.00 -1.26 -4.27 121.76 119.31 1wf6 s ALA 98 Ca 0.33 -2.58 -0.30 0.00 0.00 0.00 0.00 51.96 49.40 1wf6 s ALA 98 Cb -0.09 -3.30 0.08 0.00 0.00 0.00 0.00 23.12 19.81 1wf6 s ALA 98 CO 0.26 -2.05 0.76 -1.58 0.00 0.00 0.00 175.76 173.15 1wf6 s HIS 99 N 1.55 -0.60 -0.49 0.00 5.04 -1.26 -5.10 115.29 114.44 1wf6 s HIS 99 Ca 0.04 1.06 0.04 0.00 -1.54 0.00 0.00 55.06 54.66 1wf6 s HIS 99 Cb -0.28 0.41 0.13 0.00 0.04 0.00 0.00 32.58 32.87 1wf6 s HIS 99 CO 0.02 -0.53 0.23 0.50 -2.34 0.00 0.00 174.74 172.62 1wf6 s ARG 100 N -1.06 1.83 0.82 2.88 6.06 -1.26 -4.90 118.95 123.31 1wf6 s ARG 100 Ca -0.08 -2.45 -0.12 0.00 -2.50 0.00 0.00 55.73 50.58 1wf6 s ARG 100 Cb -0.00 -3.18 0.08 0.00 0.06 0.00 0.00 34.95 31.90 1wf6 s ARG 100 CO 0.07 -1.09 1.10 -1.25 -2.50 0.00 0.00 175.30 171.63 1wf6 s PRO 101 N -0.06 1.93 -0.65 5.12 0.04 -1.26 -4.97 135.00 135.15 1wf6 s PRO 101 Ca 0.16 0.58 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1wf6 s PRO 101 Cb -0.25 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1wf6 s PRO 101 CO -0.01 -1.71 1.11 -1.01 0.04 0.00 0.00 177.00 175.41 1wf6 s HIS 102 N -3.18 2.56 -0.78 0.56 3.76 -1.26 -4.88 115.29 112.06 1wf6 s HIS 102 Ca 0.61 -0.07 -0.19 0.00 -0.15 0.00 0.00 55.06 55.26 1wf6 s HIS 102 Cb -0.14 -4.40 0.12 0.00 1.11 0.00 0.00 32.58 29.27 1wf6 s HIS 102 CO 0.54 -1.71 0.95 0.08 -0.85 0.00 0.00 174.74 173.75 1wf6 s VAL 103 N 4.77 4.75 0.46 -0.90 1.01 -1.26 0.47 120.40 129.71 1wf6 s VAL 103 Ca 0.32 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1wf6 s VAL 103 Cb -0.11 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1wf6 s VAL 103 CO 0.17 -1.36 0.01 0.68 0.00 0.00 0.00 175.10 174.60 1wf6 s VAL 104 N 2.74 1.49 0.06 2.92 -7.23 -0.02 -0.56 120.40 119.79 1wf6 s VAL 104 Ca 0.24 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1wf6 s VAL 104 Cb -0.13 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1wf6 s VAL 104 CO -0.01 0.00 0.17 -0.83 -0.31 0.00 0.00 175.10 174.11 1wf6 s GLY 105 N -3.78 2.13 0.41 2.32 0.00 -1.13 0.11 107.32 107.38 1wf6 s GLY 105 Ca 0.20 -0.89 0.26 0.00 0.00 0.00 0.00 44.72 44.29 1wf6 s GLY 105 CO 0.10 -0.86 1.61 0.00 0.00 0.00 0.00 173.10 173.95 1wf6 h ALA 106 N 3.20 2.50 -0.92 3.20 0.00 -1.89 0.86 119.26 126.22 1wf6 h ALA 106 Ca -0.46 0.17 0.36 0.00 0.00 0.00 0.00 54.91 54.98 1wf6 h ALA 106 Cb 1.16 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1wf6 h ALA 106 CO 0.72 -1.18 0.40 1.17 0.00 0.00 0.00 179.25 180.36 1wf6 n LYS 107 N -4.90 -0.06 0.04 0.00 4.81 -1.26 0.97 118.16 117.76 1wf6 n LYS 107 Ca 0.37 1.29 -0.01 0.00 -0.87 0.00 0.00 58.31 59.08 1wf6 n LYS 107 Cb 1.36 -2.26 -0.01 0.00 0.02 0.00 0.00 35.03 34.15 1wf6 n LYS 107 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1wf6 h TRP 108 N 0.00 -0.09 -0.93 5.64 7.01 0.41 -1.20 115.95 126.79 1wf6 h TRP 108 Ca 0.74 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.95 1wf6 h TRP 108 Cb 1.88 0.03 -0.17 0.00 -2.10 0.00 0.00 29.16 28.80 1wf6 h TRP 108 CO -0.10 -0.05 -0.11 1.25 -2.79 0.00 0.00 178.44 176.64 1wf6 h LEU 109 N -0.11 -0.66 -0.09 0.65 5.85 -0.58 0.29 115.31 120.66 1wf6 h LEU 109 Ca -0.01 0.27 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1wf6 h LEU 109 Cb 0.07 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1wf6 h LEU 109 CO 0.02 -0.31 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.38 1wf6 h LEU 110 N 0.02 -1.13 -0.74 2.25 3.38 0.69 0.29 115.31 120.06 1wf6 h LEU 110 Ca 0.50 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.75 1wf6 h LEU 110 Cb 0.89 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 1wf6 h LEU 110 CO -0.91 -0.32 0.28 -0.33 0.09 0.00 0.00 178.44 177.25 1wf6 h GLU 111 N -0.38 0.39 0.09 1.13 4.39 0.60 0.56 114.58 121.37 1wf6 h GLU 111 Ca 0.02 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1wf6 h GLU 111 Cb 0.44 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1wf6 h GLU 111 CO -0.28 0.26 -0.52 0.00 -1.16 0.00 0.00 179.01 177.31 1wf6 n PHE 113 N -5.48 0.00 -0.01 0.00 3.72 0.86 0.11 117.46 116.66 1wf6 n PHE 113 Ca -0.08 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.10 1wf6 n PHE 113 Cb 0.41 -0.37 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 1wf6 n PHE 113 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1wf6 h SER 114 N 0.00 0.36 0.93 4.37 0.02 0.25 -3.17 113.55 116.31 1wf6 h SER 114 Ca 0.00 -0.88 -0.14 0.00 -0.84 0.00 0.00 61.79 59.93 1wf6 h SER 114 Cb 0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1wf6 h SER 114 CO 0.00 1.79 -1.15 0.11 -1.14 0.00 0.00 176.83 176.44 1wf6 h LYS 115 N -0.11 0.00 0.00 3.45 6.56 0.88 -3.45 116.57 123.90 1wf6 h LYS 115 Ca -0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1wf6 h LYS 115 Cb 1.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.57 1wf6 h LYS 115 CO 0.05 0.33 0.00 0.41 -2.06 0.00 0.00 179.45 178.17 1wf6 n GLY 116 N 1.34 1.12 3.15 3.86 0.00 0.30 -4.93 105.19 110.03 1wf6 n GLY 116 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1wf6 n GLY 116 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wf6 s TYR 117 N -2.28 1.28 0.48 1.61 1.13 -1.13 -4.28 117.35 114.17 1wf6 s TYR 117 Ca 0.00 -0.36 -0.24 0.00 -1.41 0.00 0.00 57.07 55.06 1wf6 s TYR 117 Cb 0.00 -0.76 -0.07 0.00 -1.10 0.00 0.00 41.96 40.03 1wf6 s TYR 117 CO 0.00 0.04 1.41 -1.64 -2.51 0.00 0.00 175.55 172.85 1wf6 s MET 118 N -1.15 3.49 0.50 -3.49 -1.94 -1.26 -4.49 119.30 110.96 1wf6 s MET 118 Ca 0.02 2.38 0.03 0.00 -1.71 0.00 0.00 55.69 56.41 1wf6 s MET 118 Cb -0.08 -2.52 -0.01 0.00 2.01 0.00 0.00 34.83 34.23 1wf6 s MET 118 CO 0.01 -0.96 0.11 -0.51 -0.01 0.00 0.00 175.02 173.67 1wf6 s LEU 119 N -2.99 2.52 0.53 -0.03 1.43 -1.26 -5.04 118.68 113.83 1wf6 s LEU 119 Ca 0.65 -1.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.05 1wf6 s LEU 119 Cb -0.43 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1wf6 s LEU 119 CO 0.54 -0.84 1.28 -0.44 0.23 0.00 0.00 176.35 177.12 1wf6 s SER 120 N -3.95 5.49 0.07 2.29 0.01 -1.26 -4.93 113.70 111.42 1wf6 s SER 120 Ca 0.18 2.57 0.22 0.00 1.31 0.00 0.00 55.95 60.23 1wf6 s SER 120 Cb 0.02 -2.62 -0.17 0.00 0.21 0.00 0.00 66.02 63.46 1wf6 s SER 120 CO 0.10 -1.40 0.76 -0.62 0.41 0.00 0.00 173.24 172.49 1wf6 n GLU 121 N -0.99 0.60 -0.23 12.44 1.02 -1.26 -4.21 120.64 128.01 1wf6 n GLU 121 Ca 0.10 -0.05 -0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1wf6 n GLU 121 Cb 0.47 -1.65 0.11 0.00 -0.02 0.00 0.00 31.44 30.35 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wf6 h GLU 122 N 0.00 0.61 0.00 3.49 5.08 -1.99 0.35 114.58 122.11 1wf6 h GLU 122 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wf6 h GLU 122 Cb 0.97 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1wf6 h GLU 122 CO 0.00 0.40 0.00 -0.35 -1.00 0.00 0.00 179.01 178.06 1wf6 n PRO 123 N -4.83 0.75 -2.75 2.33 -0.04 -1.26 -3.05 135.00 126.15 1wf6 n PRO 123 Ca 0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1wf6 n PRO 123 Cb 0.22 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1wf6 n PRO 123 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wf6 n TYR 124 N -0.84 0.90 -3.25 0.54 4.02 0.11 -5.04 117.16 113.59 1wf6 n TYR 124 Ca 0.12 -2.40 -0.33 0.00 -0.01 0.00 0.00 57.90 55.29 1wf6 n TYR 124 Cb 0.06 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.18 1wf6 n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1wf6 s ILE 125 N -3.15 4.78 -0.35 -0.72 -1.09 -0.53 -2.83 121.20 117.30 1wf6 s ILE 125 Ca 0.26 0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 59.41 1wf6 s ILE 125 Cb 0.39 -3.63 0.06 0.00 -1.58 0.00 0.00 42.46 37.70 1wf6 s ILE 125 CO -0.01 -0.11 0.11 -2.28 -1.23 0.00 0.00 174.94 171.42 1wf6 s HIS 126 N -1.88 3.33 0.12 3.97 2.46 0.27 -4.82 115.29 118.74 1wf6 s HIS 126 Ca 0.50 -1.75 0.08 0.00 0.47 0.00 0.00 55.06 54.36 1wf6 s HIS 126 Cb -0.11 -2.46 -0.04 0.00 -0.13 0.00 0.00 32.58 29.83 1wf6 s HIS 126 CO 0.19 -0.81 -0.13 -1.12 -2.47 0.00 0.00 174.74 170.40 1wf6 s SER 127 N 1.51 4.17 0.20 9.88 0.01 -1.26 -4.94 113.70 123.27 1wf6 s SER 127 Ca -0.01 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1wf6 s SER 127 Cb -0.21 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.32 1wf6 s SER 127 CO 0.00 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1wf6 n GLY 128 N 0.67 0.29 3.78 3.44 0.00 -1.26 -5.09 105.19 107.02 1wf6 n GLY 128 Ca -0.14 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 1wf6 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf6 s PRO 129 N -0.05 0.44 0.30 1.61 0.04 -1.26 -4.92 135.00 131.16 1wf6 s PRO 129 Ca 0.00 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1wf6 s PRO 129 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wf6 s PRO 129 CO 0.00 -2.62 0.00 0.45 0.04 0.00 0.00 177.00 174.87 1wf6 n SER 130 N -4.01 -4.00 -3.68 6.66 2.88 -1.26 -4.98 113.62 105.24 1wf6 n SER 130 Ca 0.10 0.82 -0.22 0.00 -1.33 0.00 0.00 58.87 58.24 1wf6 n SER 130 Cb 0.59 -2.23 -0.18 0.00 -0.75 0.00 0.00 64.21 61.65 1wf6 n SER 130 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wf6 s SER 131 N -4.92 1.60 0.00 -3.46 1.04 -1.26 -5.17 113.70 101.53 1wf6 s SER 131 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1wf6 s SER 131 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1wf6 s SER 131 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56