#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 2.34 -0.30 1.61 0.01 -1.26 -5.13 113.70 110.98 1wf6 s SER 2 Ca 0.00 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 1wf6 s SER 2 Cb 0.00 -0.16 0.19 0.00 0.21 0.00 0.00 66.02 66.26 1wf6 s SER 2 CO 0.00 0.10 1.22 -0.44 0.41 0.00 0.00 173.24 174.53 1wf6 s SER 3 N -1.41 -0.16 0.04 2.44 0.01 -1.26 -5.19 113.70 108.17 1wf6 s SER 3 Ca 0.06 0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.55 1wf6 s SER 3 Cb -0.09 0.94 0.01 0.00 0.21 0.00 0.00 66.02 67.10 1wf6 s SER 3 CO 0.02 -0.04 0.18 0.61 0.41 0.00 0.00 173.24 174.42 1wf6 n GLY 4 N 3.00 1.26 3.57 3.44 0.00 -1.26 -5.19 105.19 110.01 1wf6 n GLY 4 Ca -0.16 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.43 -0.28 0.42 1.61 1.04 -1.26 -5.18 113.70 108.61 1wf6 s SER 5 Ca 0.04 0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.70 1wf6 s SER 5 Cb -0.01 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1wf6 s SER 5 CO 0.01 -0.37 0.23 -0.94 0.98 0.00 0.00 173.24 173.16 1wf6 s SER 6 N -1.75 4.57 0.23 7.02 1.04 -1.26 -5.15 113.70 118.40 1wf6 s SER 6 Ca 0.04 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.51 1wf6 s SER 6 Cb -0.01 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 1wf6 s SER 6 CO -0.04 -0.58 0.22 0.61 0.98 0.00 0.00 173.24 174.43 1wf6 n GLY 7 N -1.32 3.14 3.86 7.32 0.00 -1.26 -5.16 105.19 111.78 1wf6 n GLY 7 Ca -0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.58 6.60 0.25 1.61 0.01 -1.26 -5.09 113.70 113.25 1wf6 s SER 8 Ca 0.26 0.72 0.01 0.00 1.31 0.00 0.00 55.95 58.24 1wf6 s SER 8 Cb 0.01 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1wf6 s SER 8 CO 0.19 0.33 0.22 -1.61 0.41 0.00 0.00 173.24 172.77 1wf6 s GLU 9 N -1.24 1.43 -0.42 12.44 0.41 -1.26 -5.12 118.70 124.94 1wf6 s GLU 9 Ca 0.22 -1.73 0.04 0.00 -0.41 0.00 0.00 54.97 53.10 1wf6 s GLU 9 Cb -0.14 0.31 0.17 0.00 -1.78 0.00 0.00 34.13 32.69 1wf6 s GLU 9 CO 0.11 -0.51 0.35 -1.13 -0.49 0.00 0.00 175.26 173.59 1wf6 n SER 10 N -0.72 -0.38 -4.94 -0.19 3.41 -1.26 -5.12 113.62 104.41 1wf6 n SER 10 Ca 0.03 -2.40 -0.24 0.00 -0.26 0.00 0.00 58.87 56.00 1wf6 n SER 10 Cb 0.64 -0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.02 4.70 -0.17 -1.33 1.01 -1.26 -5.08 121.20 119.06 1wf6 s ILE 11 Ca 0.33 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1wf6 s ILE 11 Cb 0.04 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1wf6 s ILE 11 CO -0.20 -0.50 0.17 0.00 0.00 0.00 0.00 174.94 174.41 1wf6 s ASN 13 N -0.03 -0.73 0.41 0.00 2.47 -1.26 -5.14 114.94 110.65 1wf6 s ASN 13 Ca 0.12 1.38 -0.24 0.00 0.42 0.00 0.00 52.86 54.54 1wf6 s ASN 13 Cb -0.12 1.39 -0.11 0.00 -1.45 0.00 0.00 41.25 40.96 1wf6 s ASN 13 CO 0.01 -0.24 0.90 -1.54 -3.72 0.00 0.00 177.10 172.51 1wf6 n SER 14 N 2.89 0.73 0.02 -4.21 3.41 -1.26 -4.76 113.62 110.45 1wf6 n SER 14 Ca -0.15 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1wf6 n SER 14 Cb 0.56 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1wf6 n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wf6 n LEU 15 N 0.73 -0.36 -3.75 1.04 4.77 -1.26 -5.13 117.00 113.05 1wf6 n LEU 15 Ca 0.10 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1wf6 n LEU 15 Cb 0.38 0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 41.91 1wf6 n LEU 15 CO 0.56 -0.18 -0.24 0.20 -1.33 0.00 0.00 177.39 176.41 1wf6 s ASN 16 N -1.16 -0.05 -0.10 -1.43 0.01 -1.26 -4.98 114.94 105.95 1wf6 s ASN 16 Ca 0.00 0.28 -0.05 0.00 -0.71 0.00 0.00 52.86 52.37 1wf6 s ASN 16 Cb 0.00 0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.83 1wf6 s ASN 16 CO 0.00 -0.15 0.09 -1.20 -1.51 0.00 0.00 177.10 174.33 1wf6 n SER 17 N 4.26 -6.65 -4.14 -1.22 7.64 -1.26 -4.97 113.62 107.27 1wf6 n SER 17 Ca -0.26 0.47 -0.30 0.00 1.01 0.00 0.00 58.87 59.79 1wf6 n SER 17 Cb 0.51 -2.14 -0.17 0.00 -1.01 0.00 0.00 64.21 61.40 1wf6 n SER 17 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wf6 s LYS 18 N -1.29 2.60 0.60 1.43 2.47 -1.26 -5.03 119.74 119.26 1wf6 s LYS 18 Ca 0.05 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.74 1wf6 s LYS 18 Cb -0.01 -2.04 0.00 0.00 -1.46 0.00 0.00 37.83 34.32 1wf6 s LYS 18 CO 0.23 0.08 0.00 1.28 0.16 0.00 0.00 175.35 177.10 1wf6 n LEU 19 N 3.76 -1.68 -4.77 5.43 4.32 -1.26 -4.03 117.00 118.77 1wf6 n LEU 19 Ca -0.20 2.88 -0.35 0.00 -0.02 0.00 0.00 56.01 58.32 1wf6 n LEU 19 Cb 0.52 -3.21 0.00 0.00 -1.62 0.00 0.00 43.42 39.11 1wf6 n LEU 19 CO 0.27 -0.91 0.79 -0.70 -1.22 0.00 0.00 177.39 175.61 1wf6 s GLU 20 N -5.40 3.33 -0.81 3.23 2.12 -1.26 -4.59 118.70 115.32 1wf6 s GLU 20 Ca 0.00 1.62 -0.06 0.00 0.36 0.00 0.00 54.97 56.89 1wf6 s GLU 20 Cb 0.00 -2.00 -0.11 0.00 0.26 0.00 0.00 34.13 32.28 1wf6 s GLU 20 CO 0.00 -0.87 2.61 -0.35 -0.54 0.00 0.00 175.26 176.11 1wf6 n PRO 21 N -1.32 2.35 -4.30 4.30 -0.04 -1.26 -4.64 135.00 130.09 1wf6 n PRO 21 Ca 0.12 -1.43 -0.26 0.00 -0.04 0.00 0.00 63.50 61.89 1wf6 n PRO 21 Cb 0.51 -2.36 -0.09 0.00 -0.04 0.00 0.00 33.50 31.52 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 2.41 3.17 0.13 0.52 -4.23 -1.26 -4.76 115.64 111.62 1wf6 s THR 22 Ca 0.52 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 1wf6 s THR 22 Cb 0.17 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 71.34 1wf6 s THR 22 CO -0.03 -0.16 1.58 0.25 -0.54 0.00 0.00 174.62 175.72 1wf6 h LEU 23 N 2.75 -1.38 -1.73 4.79 7.12 -1.93 0.31 115.31 125.24 1wf6 h LEU 23 Ca -0.46 0.17 0.51 0.00 0.13 0.00 0.00 57.88 58.23 1wf6 h LEU 23 Cb 1.21 0.55 -0.08 0.00 -0.53 0.00 0.00 40.66 41.82 1wf6 h LEU 23 CO 0.55 -0.45 1.23 -0.62 -0.13 0.00 0.00 178.44 179.02 1wf6 n GLU 24 N -5.44 -0.00 -2.70 1.25 1.02 -1.26 0.18 120.64 113.69 1wf6 n GLU 24 Ca -0.05 0.99 -0.22 0.00 -0.02 0.00 0.00 57.16 57.86 1wf6 n GLU 24 Cb 0.37 -2.25 -0.01 0.00 -0.02 0.00 0.00 31.44 29.53 1wf6 n GLU 24 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wf6 n ASN 25 N -3.81 3.61 0.05 1.62 3.02 0.10 -4.81 115.26 115.03 1wf6 n ASN 25 Ca 0.40 -3.44 -0.20 0.00 -0.03 0.00 0.00 54.58 51.31 1wf6 n ASN 25 Cb 1.78 -0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 40.29 1wf6 n ASN 25 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wf6 h LEU 26 N 2.80 0.46 -2.42 3.41 6.46 0.28 -1.59 115.31 124.69 1wf6 h LEU 26 Ca 0.16 -0.95 0.01 0.00 -0.12 0.00 0.00 57.88 56.97 1wf6 h LEU 26 Cb 0.88 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1wf6 h LEU 26 CO 0.74 1.39 0.04 -0.33 -0.62 0.00 0.00 178.44 179.65 1wf6 h GLU 27 N -0.39 0.00 -0.39 1.25 5.08 -1.87 -0.66 114.58 117.60 1wf6 h GLU 27 Ca -0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.93 1wf6 h GLU 27 Cb 1.63 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.64 1wf6 h GLU 27 CO 0.15 0.00 -0.70 0.09 -1.00 0.00 0.00 179.01 177.55 1wf6 n ASN 28 N -3.84 3.30 -4.64 1.42 3.02 -1.22 -4.89 115.26 108.41 1wf6 n ASN 28 Ca -0.02 -3.71 -0.39 0.00 -0.03 0.00 0.00 54.58 50.43 1wf6 n ASN 28 Cb 0.13 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 38.79 1wf6 n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wf6 s LEU 29 N -3.34 4.10 -1.14 3.41 1.98 -0.25 -4.50 118.68 118.93 1wf6 s LEU 29 Ca 0.44 0.42 -0.21 0.00 -2.89 0.00 0.00 54.13 51.89 1wf6 s LEU 29 Cb 0.39 -2.48 0.06 0.00 0.66 0.00 0.00 46.19 44.82 1wf6 s LEU 29 CO -0.02 -0.13 1.57 -0.62 -1.89 0.00 0.00 176.35 175.26 1wf6 s ASP 30 N 1.31 6.65 0.45 3.68 2.15 -1.26 -4.78 116.67 124.87 1wf6 s ASP 30 Ca 0.17 -1.90 0.17 0.00 0.43 0.00 0.00 52.55 51.43 1wf6 s ASP 30 Cb -0.15 -2.57 1.11 0.00 -0.30 0.00 0.00 42.92 41.01 1wf6 s ASP 30 CO 0.09 -1.35 1.94 1.62 -0.17 0.00 0.00 175.17 177.29 1wf6 h VAL 31 N 6.24 0.79 0.00 1.11 3.04 -1.95 1.14 116.25 126.62 1wf6 h VAL 31 Ca 0.31 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.88 1wf6 h VAL 31 Cb 0.95 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1wf6 h VAL 31 CO 1.44 0.06 0.00 -0.24 -1.01 0.00 0.00 177.57 177.82 1wf6 n SER 32 N -4.46 0.00 -0.02 3.17 2.88 -1.26 -2.20 113.62 111.74 1wf6 n SER 32 Ca 0.13 0.34 -0.16 0.00 -1.33 0.00 0.00 58.87 57.86 1wf6 n SER 32 Cb 0.54 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.48 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 2.47 0.06 -1.31 -1.46 0.00 0.98 -3.44 119.26 116.55 1wf6 h ALA 33 Ca 0.00 -0.49 -0.73 0.00 0.00 0.00 0.00 54.91 53.70 1wf6 h ALA 33 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wf6 h ALA 33 CO 0.00 0.16 1.06 1.19 0.00 0.00 0.00 179.25 181.67 1wf6 n PHE 34 N -4.42 1.88 1.87 0.00 3.72 -0.93 -4.78 117.46 114.79 1wf6 n PHE 34 Ca -0.10 0.49 0.16 0.00 -0.05 0.00 0.00 57.45 57.96 1wf6 n PHE 34 Cb 0.54 -2.46 0.91 0.00 -0.94 0.00 0.00 39.48 37.53 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 6.24 0.88 -0.94 -1.08 1.13 -1.25 -4.90 117.38 117.46 1wf6 n GLN 35 Ca 0.32 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 55.02 1wf6 n GLN 35 Cb 0.14 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.05 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wf6 n ALA 36 N -1.06 -5.12 -1.64 -1.58 0.00 -1.21 -4.90 120.51 105.01 1wf6 n ALA 36 Ca 0.22 -1.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 1wf6 n ALA 36 Cb 0.14 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.37 3.20 0.00 0.00 0.04 -1.26 -4.92 135.00 129.69 1wf6 s PRO 37 Ca 0.42 1.08 0.21 0.00 0.04 0.00 0.00 61.00 62.75 1wf6 s PRO 37 Cb -0.08 -2.02 1.17 0.00 0.04 0.00 0.00 34.50 33.61 1wf6 s PRO 37 CO 0.73 -0.90 1.67 0.39 0.04 0.00 0.00 177.00 178.94 1wf6 n GLU 38 N -2.48 0.48 -0.27 4.56 -0.58 -1.26 -1.97 120.64 119.11 1wf6 n GLU 38 Ca 0.08 0.05 0.07 0.00 -0.42 0.00 0.00 57.16 56.93 1wf6 n GLU 38 Cb 0.53 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 30.00 1wf6 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wf6 n ASP 39 N -1.15 1.59 -0.40 1.62 8.00 -1.22 -2.26 116.55 122.72 1wf6 n ASP 39 Ca 0.13 -2.80 -0.08 0.00 0.71 0.00 0.00 54.79 52.75 1wf6 n ASP 39 Cb 0.12 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 1wf6 n ASP 39 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1wf6 n LEU 40 N -0.94 -0.92 -3.51 0.64 7.94 0.58 -0.89 117.00 119.90 1wf6 n LEU 40 Ca 0.11 1.75 -0.36 0.00 -1.11 0.00 0.00 56.01 56.40 1wf6 n LEU 40 Cb 0.68 -0.28 -0.01 0.00 0.53 0.00 0.00 43.42 44.34 1wf6 n LEU 40 CO 0.00 -1.47 0.90 0.18 -1.11 0.00 0.00 177.39 175.89 1wf6 n LEU 41 N -5.31 6.06 -4.69 -1.96 4.77 0.44 -4.83 117.00 111.48 1wf6 n LEU 41 Ca 0.05 -5.44 -0.42 0.00 -0.03 0.00 0.00 56.01 50.17 1wf6 n LEU 41 Cb 0.30 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 1wf6 n LEU 41 CO -0.15 2.06 1.30 -0.62 -1.33 0.00 0.00 177.39 178.65 1wf6 s ASP 42 N -2.10 6.64 -1.49 -1.43 -1.08 -0.06 -0.89 116.67 116.27 1wf6 s ASP 42 Ca 0.40 2.42 -0.12 0.00 -0.52 0.00 0.00 52.55 54.73 1wf6 s ASP 42 Cb 0.18 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 39.15 1wf6 s ASP 42 CO -0.07 -0.86 0.86 0.61 0.52 0.00 0.00 175.17 176.23 1wf6 n GLY 43 N 3.95 -0.50 3.18 2.66 0.00 -1.26 -4.94 105.19 108.28 1wf6 n GLY 43 Ca 0.15 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 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 1.26 3.51 0.11 0.00 0.52 -1.26 -1.31 118.95 121.77 1wf6 s ARG 45 Ca 0.01 -0.05 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 1wf6 s ARG 45 Cb -0.21 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 1wf6 s ARG 45 CO -0.01 -0.96 -0.05 0.42 0.02 0.00 0.00 175.30 174.72 1wf6 s ILE 46 N 3.02 3.63 -0.27 1.52 1.09 -0.86 0.19 121.20 129.52 1wf6 s ILE 46 Ca 0.27 -1.20 -0.05 0.00 -1.10 0.00 0.00 60.65 58.57 1wf6 s ILE 46 Cb -0.13 -2.73 0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1wf6 s ILE 46 CO 0.19 0.08 0.03 -0.47 -0.10 0.00 0.00 174.94 174.67 1wf6 s TYR 47 N -1.32 3.09 -0.06 3.97 5.04 0.21 -2.60 117.35 125.68 1wf6 s TYR 47 Ca 0.24 -1.05 -0.22 0.00 -2.44 0.00 0.00 57.07 53.60 1wf6 s TYR 47 Cb -0.11 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.98 1wf6 s TYR 47 CO 0.16 -0.59 0.64 -0.51 -1.34 0.00 0.00 175.55 173.91 1wf6 s LEU 48 N 1.47 4.33 -0.07 6.97 1.43 -1.26 -1.25 118.68 130.29 1wf6 s LEU 48 Ca 0.03 1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 54.19 1wf6 s LEU 48 Cb -0.16 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.10 1wf6 s LEU 48 CO -0.00 -0.05 0.19 0.00 0.23 0.00 0.00 176.35 176.72 1wf6 n GLY 50 N 3.32 1.91 3.06 0.00 0.00 -1.26 -2.41 105.19 109.81 1wf6 n GLY 50 Ca -0.16 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -4.21 0.15 1.61 3.72 -1.26 -4.91 117.46 112.56 1wf6 n PHE 51 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1wf6 n PHE 51 Cb 0.00 -1.48 0.00 0.00 -0.94 0.00 0.00 39.48 37.06 1wf6 n PHE 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wf6 n SER 52 N 2.70 -2.62 0.00 4.37 2.88 -1.26 -4.84 113.62 114.85 1wf6 n SER 52 Ca -0.01 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1wf6 n SER 52 Cb 0.58 2.61 0.00 0.00 -0.75 0.00 0.00 64.21 66.65 1wf6 n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 53 N -1.45 -2.62 0.24 0.46 0.00 -1.26 -4.53 105.19 96.03 1wf6 n GLY 53 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 0.79 -0.99 1.61 3.08 -1.95 -3.03 114.38 113.89 1wf6 h ARG 54 Ca 0.00 -0.51 0.21 0.00 0.07 0.00 0.00 59.98 59.76 1wf6 h ARG 54 Cb 0.00 0.06 -0.19 0.00 0.08 0.00 0.00 29.97 29.92 1wf6 h ARG 54 CO 0.00 1.13 -0.19 0.87 -1.07 0.00 0.00 179.97 180.71 1wf6 h LYS 55 N 0.61 0.00 0.55 0.04 1.57 -1.87 0.47 116.57 117.94 1wf6 h LYS 55 Ca 0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1wf6 h LYS 55 Cb 1.15 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1wf6 h LYS 55 CO 0.12 0.00 -0.26 1.25 -0.57 0.00 0.00 179.45 179.98 1wf6 h LEU 56 N 0.00 -0.62 -1.48 2.94 5.85 -1.78 -2.59 115.31 117.62 1wf6 h LEU 56 Ca 0.50 -0.04 0.49 0.00 0.84 0.00 0.00 57.88 59.68 1wf6 h LEU 56 Cb 0.83 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 1wf6 h LEU 56 CO -1.00 -0.24 0.98 -0.67 -0.34 0.00 0.00 178.44 177.16 1wf6 n ASP 57 N -5.29 0.17 0.05 1.25 2.03 0.47 -0.25 116.55 114.99 1wf6 n ASP 57 Ca -0.11 1.31 -0.02 0.00 0.52 0.00 0.00 54.79 56.49 1wf6 n ASP 57 Cb 0.32 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1wf6 h LYS 58 N 0.00 -0.14 -0.93 -0.67 1.79 0.04 -2.41 116.57 114.26 1wf6 h LYS 58 Ca 0.89 0.01 0.37 0.00 -2.18 0.00 0.00 60.65 59.74 1wf6 h LYS 58 Cb 2.99 0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 33.51 1wf6 h LYS 58 CO -0.38 -0.09 0.44 1.28 -1.08 0.00 0.00 179.45 179.62 1wf6 n LEU 59 N -2.52 0.27 0.04 2.94 4.32 0.66 0.20 117.00 122.91 1wf6 n LEU 59 Ca -0.02 1.55 -0.11 0.00 -0.02 0.00 0.00 56.01 57.42 1wf6 n LEU 59 Cb 0.06 -0.73 -0.05 0.00 -1.62 0.00 0.00 43.42 41.07 1wf6 n LEU 59 CO 0.04 -1.72 0.80 0.03 -1.22 0.00 0.00 177.39 175.32 1wf6 h ARG 60 N 0.00 -0.15 -0.05 3.23 3.08 -0.91 0.79 114.38 120.37 1wf6 h ARG 60 Ca 0.76 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.72 1wf6 h ARG 60 Cb 1.98 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 1wf6 h ARG 60 CO -0.74 -0.10 -0.46 0.00 -1.07 0.00 0.00 179.97 177.60 1wf6 h ARG 61 N -0.16 0.11 0.00 0.04 3.08 0.27 -2.36 114.38 115.37 1wf6 h ARG 61 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wf6 h ARG 61 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1wf6 h ARG 61 CO -0.11 0.55 0.00 1.28 -1.07 0.00 0.00 179.97 180.62 1wf6 n LEU 62 N -3.99 0.16 -0.36 3.04 4.32 0.19 0.69 117.00 121.06 1wf6 n LEU 62 Ca -0.02 0.71 -0.02 0.00 -0.02 0.00 0.00 56.01 56.67 1wf6 n LEU 62 Cb 0.50 -0.44 0.03 0.00 -1.62 0.00 0.00 43.42 41.89 1wf6 n LEU 62 CO 0.41 -0.44 0.54 -0.38 -1.22 0.00 0.00 177.39 176.30 1wf6 n ILE 63 N -1.82 -0.50 -0.17 -0.08 5.41 0.27 0.17 119.36 122.63 1wf6 n ILE 63 Ca 0.00 2.19 -0.07 0.00 1.00 0.00 0.00 62.75 65.87 1wf6 n ILE 63 Cb 0.00 -2.88 0.02 0.00 -0.71 0.00 0.00 39.64 36.07 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 0.62 -0.83 4.38 -1.24 -1.48 1.57 115.58 118.60 1wf6 h ASN 64 Ca 0.31 -0.07 0.13 0.00 0.71 0.00 0.00 56.30 57.38 1wf6 h ASN 64 Cb 0.54 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.38 1wf6 h ASN 64 CO -0.92 0.51 0.54 -1.28 -1.29 0.00 0.00 177.43 174.99 1wf6 h SER 65 N 0.67 0.60 -0.25 1.15 0.87 0.77 0.60 113.55 117.96 1wf6 h SER 65 Ca 0.18 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1wf6 h SER 65 Cb 0.02 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1wf6 h SER 65 CO -0.03 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 1wf6 n GLY 66 N -1.46 0.65 2.41 5.77 0.00 0.25 -4.06 105.19 108.75 1wf6 n GLY 66 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.20 3.17 3.19 -0.02 0.00 0.21 0.17 105.19 113.11 1wf6 n GLY 67 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.88 -2.98 3.15 -0.02 0.00 0.52 -4.49 105.19 99.50 1wf6 n GLY 68 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.17 2.06 -0.51 1.61 1.01 -0.43 -3.61 120.40 118.36 1wf6 s VAL 69 Ca 0.48 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1wf6 s VAL 69 Cb -0.11 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1wf6 s VAL 69 CO 0.70 0.55 0.76 -0.60 0.00 0.00 0.00 175.10 176.50 1wf6 s ARG 70 N 1.02 3.24 0.26 2.72 3.52 -1.26 -2.04 118.95 126.40 1wf6 s ARG 70 Ca -0.02 -0.54 -0.28 0.00 -0.13 0.00 0.00 55.73 54.75 1wf6 s ARG 70 Cb -0.14 -4.05 -0.09 0.00 -1.56 0.00 0.00 34.95 29.10 1wf6 s ARG 70 CO -0.07 -1.29 0.93 -0.06 -0.81 0.00 0.00 175.30 174.00 1wf6 s PHE 71 N 3.19 3.90 -0.23 5.12 0.40 -1.07 -4.95 117.98 124.34 1wf6 s PHE 71 Ca 0.23 1.86 0.18 0.00 -0.60 0.00 0.00 56.93 58.60 1wf6 s PHE 71 Cb -0.16 -2.95 0.22 0.00 0.51 0.00 0.00 43.02 40.65 1wf6 s PHE 71 CO 0.16 0.39 1.53 -0.91 0.70 0.00 0.00 175.22 177.09 1wf6 h ASN 72 N 3.88 0.00 -3.32 1.36 2.35 -1.96 -3.39 115.58 114.50 1wf6 h ASN 72 Ca -0.46 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.78 1wf6 h ASN 72 Cb 1.20 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.43 1wf6 h ASN 72 CO 0.67 0.31 -0.55 -1.10 -1.65 0.00 0.00 177.43 175.11 1wf6 s GLN 73 N -3.09 1.80 0.22 0.81 -0.21 -1.26 -5.02 119.66 112.91 1wf6 s GLN 73 Ca 0.05 -2.06 0.05 0.00 0.02 0.00 0.00 55.36 53.41 1wf6 s GLN 73 Cb 0.07 -0.64 -0.03 0.00 1.00 0.00 0.00 33.01 33.41 1wf6 s GLN 73 CO 0.71 -0.38 0.31 -1.17 -2.12 0.00 0.00 175.29 172.64 1wf6 s LEU 74 N -3.54 4.21 0.00 2.90 0.20 -1.26 -4.91 118.68 116.28 1wf6 s LEU 74 Ca 0.29 0.02 -0.15 0.00 0.69 0.00 0.00 54.13 54.98 1wf6 s LEU 74 Cb 0.05 -2.76 0.05 0.00 -0.43 0.00 0.00 46.19 43.10 1wf6 s LEU 74 CO 0.15 -0.04 0.68 0.59 -0.29 0.00 0.00 176.35 177.44 1wf6 n ASN 75 N -1.19 -0.82 0.14 3.68 3.02 -1.26 -5.00 115.26 113.83 1wf6 n ASN 75 Ca -0.08 -1.30 0.13 0.00 -0.03 0.00 0.00 54.58 53.29 1wf6 n ASN 75 Cb 0.57 1.31 0.45 0.00 -0.61 0.00 0.00 39.78 41.50 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 -0.07 3.52 5.08 -1.98 -2.87 114.58 118.27 1wf6 h GLU 76 Ca -0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 1wf6 h GLU 76 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1wf6 h GLU 76 CO 0.19 0.00 -0.77 -0.44 -1.00 0.00 0.00 179.01 176.99 1wf6 h ASP 77 N 0.00 0.52 -1.33 1.42 3.32 -1.96 -3.44 116.42 114.94 1wf6 h ASP 77 Ca 0.00 -0.35 -0.78 0.00 0.02 0.00 0.00 57.03 55.91 1wf6 h ASP 77 Cb 0.57 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.99 1wf6 h ASP 77 CO 0.00 1.11 0.69 0.52 -1.72 0.00 0.00 179.24 179.84 1wf6 n VAL 78 N -3.83 0.14 0.76 -1.35 0.31 -1.09 -4.69 118.33 108.59 1wf6 n VAL 78 Ca -0.05 -0.02 0.10 0.00 -0.01 0.00 0.00 64.34 64.36 1wf6 n VAL 78 Cb 0.73 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.74 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 3.82 0.01 -3.43 2.52 -2.24 0.51 -4.84 114.28 110.63 1wf6 n THR 79 Ca 0.26 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.80 1wf6 n THR 79 Cb 0.07 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 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 -3.12 -0.53 -0.32 4.78 3.76 -1.15 -4.12 115.29 114.59 1wf6 s HIS 80 Ca 0.05 0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 1wf6 s HIS 80 Cb 0.16 0.54 0.11 0.00 1.11 0.00 0.00 32.58 34.50 1wf6 s HIS 80 CO 0.87 -0.83 0.16 0.08 -0.85 0.00 0.00 174.74 174.16 1wf6 s VAL 81 N -3.62 0.29 -0.57 -0.90 1.01 0.19 0.65 120.40 117.46 1wf6 s VAL 81 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 1wf6 s VAL 81 Cb -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1wf6 s VAL 81 CO -0.12 -0.81 1.35 -0.63 0.00 0.00 0.00 175.10 174.89 1wf6 s ILE 82 N 1.57 3.85 0.17 2.22 -1.09 -0.38 -1.16 121.20 126.37 1wf6 s ILE 82 Ca 0.12 0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 59.23 1wf6 s ILE 82 Cb -0.19 -4.54 -0.05 0.00 -1.58 0.00 0.00 42.46 36.10 1wf6 s ILE 82 CO -0.21 -1.24 0.40 -0.69 -1.23 0.00 0.00 174.94 171.97 1wf6 s VAL 83 N 5.72 5.15 -0.03 2.92 1.01 0.48 -2.30 120.40 133.35 1wf6 s VAL 83 Ca 0.49 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1wf6 s VAL 83 Cb -0.10 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1wf6 s VAL 83 CO 0.25 -0.02 -0.01 0.61 0.00 0.00 0.00 175.10 175.93 1wf6 n GLY 84 N -0.10 -0.11 1.83 4.51 0.00 -1.01 -3.55 105.19 106.75 1wf6 n GLY 84 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wf6 n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wf6 n ASP 85 N -2.32 0.00 -3.60 1.61 2.03 -1.26 -4.97 116.55 108.03 1wf6 n ASP 85 Ca -0.06 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.15 1wf6 n ASP 85 Cb 0.58 0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.96 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1wf6 s TYR 86 N -1.91 -0.42 -0.33 -0.67 1.13 -1.26 -5.06 117.35 108.82 1wf6 s TYR 86 Ca 0.00 0.86 0.00 0.00 -1.41 0.00 0.00 57.07 56.52 1wf6 s TYR 86 Cb 0.00 0.41 0.08 0.00 -1.10 0.00 0.00 41.96 41.35 1wf6 s TYR 86 CO 0.00 -0.30 0.05 0.34 -2.51 0.00 0.00 175.55 173.13 1wf6 s ASP 87 N -0.56 4.89 -0.11 -0.18 -1.08 -1.26 -4.17 116.67 114.21 1wf6 s ASP 87 Ca -0.00 -1.73 -0.10 0.00 -0.52 0.00 0.00 52.55 50.21 1wf6 s ASP 87 Cb -0.02 -1.70 -0.09 0.00 -1.46 0.00 0.00 42.92 39.65 1wf6 s ASP 87 CO -0.01 -0.36 0.26 0.44 0.52 0.00 0.00 175.17 176.02 1wf6 h ASP 88 N 7.88 -0.01 -1.00 -0.34 3.32 -2.00 -3.33 116.42 120.95 1wf6 h ASP 88 Ca -0.14 -0.33 0.34 0.00 0.02 0.00 0.00 57.03 56.92 1wf6 h ASP 88 Cb 1.04 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.41 1wf6 h ASP 88 CO 0.56 0.66 0.24 -0.08 -1.72 0.00 0.00 179.24 178.90 1wf6 h GLU 89 N -1.00 0.00 -0.94 3.56 4.81 -2.00 0.95 114.58 119.97 1wf6 h GLU 89 Ca -0.00 -0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1wf6 h GLU 89 Cb 0.33 -0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.54 1wf6 h GLU 89 CO 0.00 0.00 -0.11 1.25 -0.73 0.00 0.00 179.01 179.42 1wf6 h LEU 90 N 0.00 -0.67 0.01 1.64 5.85 -1.99 0.87 115.31 121.02 1wf6 h LEU 90 Ca 0.71 0.27 0.02 0.00 0.84 0.00 0.00 57.88 59.73 1wf6 h LEU 90 Cb 1.67 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 43.19 1wf6 h LEU 90 CO -0.87 -0.31 -0.17 0.11 -0.34 0.00 0.00 178.44 176.86 1wf6 h LYS 91 N 0.02 -0.28 0.07 1.25 1.57 0.79 0.17 116.57 120.15 1wf6 h LYS 91 Ca 0.50 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.32 1wf6 h LYS 91 Cb 0.89 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1wf6 h LYS 91 CO -0.92 -0.19 -0.24 1.96 -0.57 0.00 0.00 179.45 179.49 1wf6 h GLN 92 N -0.29 -0.40 -0.86 3.15 1.08 0.52 -0.23 115.11 118.07 1wf6 h GLN 92 Ca 0.05 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.44 1wf6 h GLN 92 Cb 0.36 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 1wf6 h GLN 92 CO -0.16 -0.27 0.56 0.35 -0.95 0.00 0.00 178.83 178.37 1wf6 h PHE 93 N -0.42 0.64 -0.16 2.96 3.57 0.30 0.69 116.94 124.52 1wf6 h PHE 93 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1wf6 h PHE 93 Cb 0.46 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1wf6 h PHE 93 CO -0.24 0.21 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.23 1wf6 h TRP 94 N 0.52 0.36 0.00 0.41 6.55 0.56 0.21 115.95 124.57 1wf6 h TRP 94 Ca 0.44 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 60.19 1wf6 h TRP 94 Cb 0.92 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 29.13 1wf6 h TRP 94 CO -0.00 0.62 -0.03 -1.71 -1.05 0.00 0.00 178.44 176.27 1wf6 n ASN 95 N -4.08 0.14 0.00 -3.49 2.85 0.21 -4.30 115.26 106.58 1wf6 n ASN 95 Ca -0.01 0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.93 1wf6 n ASN 95 Cb 0.43 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.95 1wf6 n ASN 95 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wf6 n LYS 96 N -1.61 0.00 -3.87 1.20 5.02 0.44 -5.03 118.16 114.31 1wf6 n LYS 96 Ca 0.07 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 1wf6 n LYS 96 Cb 0.35 -0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.08 6.33 -0.58 4.39 0.01 0.60 -5.06 113.70 118.31 1wf6 s SER 97 Ca 0.00 0.18 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 1wf6 s SER 97 Cb 0.00 -1.91 0.13 0.00 0.21 0.00 0.00 66.02 64.45 1wf6 s SER 97 CO 0.00 -0.05 0.58 0.00 0.41 0.00 0.00 173.24 174.18 1wf6 s ALA 98 N -1.92 3.63 0.08 1.44 0.00 -1.26 -4.23 121.76 119.50 1wf6 s ALA 98 Ca 0.35 -2.54 -0.26 0.00 0.00 0.00 0.00 51.96 49.52 1wf6 s ALA 98 Cb -0.10 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1wf6 s ALA 98 CO 0.30 -2.14 0.62 -1.58 0.00 0.00 0.00 175.76 172.96 1wf6 s HIS 99 N 1.76 -0.57 -0.44 0.00 5.65 -1.26 -5.11 115.29 115.31 1wf6 s HIS 99 Ca 0.07 0.60 0.03 0.00 0.25 0.00 0.00 55.06 56.00 1wf6 s HIS 99 Cb -0.27 0.50 0.13 0.00 -1.18 0.00 0.00 32.58 31.76 1wf6 s HIS 99 CO 0.03 -0.76 0.21 1.03 -0.65 0.00 0.00 174.74 174.60 1wf6 s ARG 100 N -2.84 1.47 0.76 2.88 1.81 -1.26 -4.90 118.95 116.87 1wf6 s ARG 100 Ca -0.03 -2.10 -0.11 0.00 -1.72 0.00 0.00 55.73 51.77 1wf6 s ARG 100 Cb -0.01 -2.71 0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1wf6 s ARG 100 CO -0.05 -1.10 1.08 -1.25 -0.68 0.00 0.00 175.30 173.30 1wf6 s PRO 101 N 0.33 2.39 -0.57 3.54 0.04 -1.26 -4.98 135.00 134.49 1wf6 s PRO 101 Ca 0.16 0.76 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 1wf6 s PRO 101 Cb -0.24 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1wf6 s PRO 101 CO -0.03 -1.43 1.01 -1.01 0.04 0.00 0.00 177.00 175.58 1wf6 s HIS 102 N -3.11 2.72 -0.44 0.56 3.76 -1.26 -4.89 115.29 112.63 1wf6 s HIS 102 Ca 0.60 0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 55.33 1wf6 s HIS 102 Cb -0.14 -4.20 0.03 0.00 1.11 0.00 0.00 32.58 29.37 1wf6 s HIS 102 CO 0.55 -1.46 0.64 0.08 -0.85 0.00 0.00 174.74 173.70 1wf6 s VAL 103 N 4.24 4.83 0.35 -0.90 1.01 -1.26 0.56 120.40 129.23 1wf6 s VAL 103 Ca 0.33 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1wf6 s VAL 103 Cb -0.12 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1wf6 s VAL 103 CO 0.20 -0.61 0.19 0.68 0.00 0.00 0.00 175.10 175.56 1wf6 s VAL 104 N 2.80 0.29 0.04 2.92 -7.23 -0.31 -1.97 120.40 116.94 1wf6 s VAL 104 Ca 0.22 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1wf6 s VAL 104 Cb -0.14 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1wf6 s VAL 104 CO 0.18 0.00 0.18 -0.83 -0.31 0.00 0.00 175.10 174.33 1wf6 s GLY 105 N -3.45 2.16 0.46 2.32 0.00 -1.14 0.18 107.32 107.84 1wf6 s GLY 105 Ca 0.33 -0.83 0.33 0.00 0.00 0.00 0.00 44.72 44.55 1wf6 s GLY 105 CO 0.20 -0.78 1.62 0.00 0.00 0.00 0.00 173.10 174.14 1wf6 h ALA 106 N 3.39 2.90 -0.97 3.20 0.00 -1.87 0.64 119.26 126.55 1wf6 h ALA 106 Ca -0.47 0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.76 1wf6 h ALA 106 Cb 1.17 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 1wf6 h ALA 106 CO 0.72 -1.51 -0.11 -0.22 0.00 0.00 0.00 179.25 178.13 1wf6 h LYS 107 N 0.07 0.01 0.70 0.00 3.64 -1.93 0.45 116.57 119.50 1wf6 h LYS 107 Ca 0.83 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 60.18 1wf6 h LYS 107 Cb 2.73 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.54 1wf6 h LYS 107 CO -0.36 0.01 -0.44 2.35 -2.27 0.00 0.00 179.45 178.74 1wf6 h TRP 108 N 0.01 -1.19 -0.97 1.91 7.01 -0.04 -0.18 115.95 122.50 1wf6 h TRP 108 Ca 0.53 -0.01 0.21 0.00 2.11 0.00 0.00 58.89 61.73 1wf6 h TRP 108 Cb 0.95 0.43 -0.18 0.00 -2.10 0.00 0.00 29.16 28.25 1wf6 h TRP 108 CO -0.62 -0.66 -0.18 -0.11 -2.79 0.00 0.00 178.44 174.09 1wf6 n LEU 109 N -5.22 -0.29 0.19 0.65 0.00 0.13 -0.17 117.00 112.29 1wf6 n LEU 109 Ca -0.13 1.66 -0.11 0.00 0.00 0.00 0.00 56.01 57.43 1wf6 n LEU 109 Cb 0.45 -0.53 -0.06 0.00 0.00 0.00 0.00 43.42 43.29 1wf6 n LEU 109 CO 0.31 -1.62 0.52 -0.07 0.00 0.00 0.00 177.39 176.53 1wf6 h LEU 110 N 0.00 -0.75 -0.98 -1.96 3.38 -0.10 -0.41 115.31 114.49 1wf6 h LEU 110 Ca 0.50 0.05 0.34 0.00 0.09 0.00 0.00 57.88 58.86 1wf6 h LEU 110 Cb 0.83 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 1wf6 h LEU 110 CO -0.98 -0.39 0.40 -0.33 0.09 0.00 0.00 178.44 177.23 1wf6 h GLU 111 N -0.61 0.11 0.65 1.13 4.39 0.12 1.22 114.58 121.59 1wf6 h GLU 111 Ca -0.04 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1wf6 h GLU 111 Cb 0.51 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wf6 h GLU 111 CO 0.00 0.08 -0.39 0.00 -1.16 0.00 0.00 179.01 177.53 1wf6 n PHE 113 N -5.53 0.00 -0.05 0.00 3.01 0.18 0.09 117.46 115.15 1wf6 n PHE 113 Ca -0.13 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.11 1wf6 n PHE 113 Cb 0.42 -0.44 -0.13 0.00 -0.01 0.00 0.00 39.48 39.33 1wf6 n PHE 113 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wf6 n SER 114 N -1.44 2.01 0.19 4.37 2.88 0.37 -3.29 113.62 118.72 1wf6 n SER 114 Ca 0.04 0.26 0.09 0.00 -1.33 0.00 0.00 58.87 57.92 1wf6 n SER 114 Cb 0.13 -0.85 0.12 0.00 -0.75 0.00 0.00 64.21 62.86 1wf6 n SER 114 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wf6 h LYS 115 N -0.37 0.00 0.00 -1.46 1.79 0.19 -3.46 116.57 113.27 1wf6 h LYS 115 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1wf6 h LYS 115 Cb 1.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1wf6 h LYS 115 CO -0.07 0.16 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 1wf6 n GLY 116 N 1.14 0.63 3.06 3.86 0.00 0.11 -4.98 105.19 109.02 1wf6 n GLY 116 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.21 0.41 0.41 1.61 -0.85 -0.90 -4.27 117.35 111.55 1wf6 s TYR 117 Ca 0.00 -0.85 -0.26 0.00 -0.52 0.00 0.00 57.07 55.43 1wf6 s TYR 117 Cb 0.00 -0.30 -0.09 0.00 0.38 0.00 0.00 41.96 41.95 1wf6 s TYR 117 CO 0.00 -0.33 1.35 -1.64 -1.52 0.00 0.00 175.55 173.42 1wf6 s MET 118 N -3.09 3.95 0.50 -3.49 -1.94 -1.26 -4.32 119.30 109.65 1wf6 s MET 118 Ca -0.01 2.27 0.04 0.00 -1.71 0.00 0.00 55.69 56.28 1wf6 s MET 118 Cb 0.02 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 1wf6 s MET 118 CO -0.07 -0.55 0.15 -0.51 -0.01 0.00 0.00 175.02 174.03 1wf6 s LEU 119 N -2.40 2.56 0.50 -0.03 1.43 -1.26 -5.03 118.68 114.46 1wf6 s LEU 119 Ca 0.57 -1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.00 1wf6 s LEU 119 Cb -0.41 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 1wf6 s LEU 119 CO 0.53 -0.86 1.27 -0.44 0.23 0.00 0.00 176.35 177.08 1wf6 s SER 120 N -3.99 5.70 -0.02 2.29 0.01 -1.26 -4.94 113.70 111.49 1wf6 s SER 120 Ca 0.21 2.56 0.20 0.00 1.31 0.00 0.00 55.95 60.22 1wf6 s SER 120 Cb 0.01 -2.62 -0.22 0.00 0.21 0.00 0.00 66.02 63.40 1wf6 s SER 120 CO 0.12 -1.26 0.53 -0.62 0.41 0.00 0.00 173.24 172.42 1wf6 n GLU 121 N -0.75 0.65 -0.23 12.44 -0.58 -1.26 -4.24 120.64 126.67 1wf6 n GLU 121 Ca 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1wf6 n GLU 121 Cb 0.46 -1.63 0.12 0.00 -0.57 0.00 0.00 31.44 29.82 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wf6 h GLU 122 N 0.00 0.57 0.00 3.49 5.08 -1.96 0.40 114.58 122.16 1wf6 h GLU 122 Ca -0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1wf6 h GLU 122 Cb 1.49 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1wf6 h GLU 122 CO 0.02 0.38 0.00 -0.35 -1.00 0.00 0.00 179.01 178.06 1wf6 n PRO 123 N -4.86 0.75 -2.80 2.33 -0.04 -1.26 -2.92 135.00 126.20 1wf6 n PRO 123 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1wf6 n PRO 123 Cb 0.24 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.29 -3.06 0.54 4.01 0.13 -5.08 117.16 114.15 1wf6 n TYR 124 Ca 0.12 -2.23 -0.39 0.00 -0.16 0.00 0.00 57.90 55.25 1wf6 n TYR 124 Cb 0.06 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1wf6 n TYR 124 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wf6 s ILE 125 N -3.75 4.47 -0.40 -0.72 -1.09 -0.53 -2.89 121.20 116.30 1wf6 s ILE 125 Ca 0.28 1.55 -0.13 0.00 -2.23 0.00 0.00 60.65 60.11 1wf6 s ILE 125 Cb 0.34 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1wf6 s ILE 125 CO -0.03 0.48 0.27 -2.28 -1.23 0.00 0.00 174.94 172.15 1wf6 s HIS 126 N -1.20 3.24 0.45 3.97 2.46 -0.83 -4.86 115.29 118.53 1wf6 s HIS 126 Ca 0.35 -0.74 0.06 0.00 0.47 0.00 0.00 55.06 55.21 1wf6 s HIS 126 Cb -0.21 -2.54 -0.03 0.00 -0.13 0.00 0.00 32.58 29.67 1wf6 s HIS 126 CO 0.24 -0.62 0.21 0.45 -2.47 0.00 0.00 174.74 172.56 1wf6 s SER 127 N 1.64 4.45 0.92 9.88 0.15 -1.26 -4.91 113.70 124.57 1wf6 s SER 127 Ca 0.04 -1.16 -0.13 0.00 0.70 0.00 0.00 55.95 55.39 1wf6 s SER 127 Cb -0.19 -0.20 0.19 0.00 -1.71 0.00 0.00 66.02 64.11 1wf6 s SER 127 CO 0.09 -0.69 1.27 -0.83 1.20 0.00 0.00 173.24 174.27 1wf6 s GLY 128 N -3.98 1.78 1.05 9.45 0.00 -1.26 -5.08 107.32 109.28 1wf6 s GLY 128 Ca 0.36 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.61 1wf6 s GLY 128 CO 0.20 -0.57 1.21 2.56 0.00 0.00 0.00 173.10 176.50 1wf6 s PRO 129 N -5.76 -0.06 0.36 2.90 0.04 -1.26 -4.92 135.00 126.30 1wf6 s PRO 129 Ca 0.73 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1wf6 s PRO 129 Cb -0.04 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wf6 s PRO 129 CO 0.51 -2.92 0.00 0.45 0.04 0.00 0.00 177.00 175.09 1wf6 n SER 130 N -4.18 -4.65 0.08 6.66 2.88 -1.26 -5.02 113.62 108.13 1wf6 n SER 130 Ca 0.13 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1wf6 n SER 130 Cb 0.59 -2.91 0.00 0.00 -0.75 0.00 0.00 64.21 61.15 1wf6 n SER 130 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wf6 n SER 131 N -3.40 -0.03 0.00 -3.46 3.41 -1.26 -5.18 113.62 103.70 1wf6 n SER 131 Ca -0.05 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wf6 n SER 131 Cb 0.40 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1wf6 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49