#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 6.71 0.19 1.61 0.15 -1.26 -5.07 113.70 116.03 1wf6 s SER 2 Ca 0.00 0.85 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 1wf6 s SER 2 Cb 0.00 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1wf6 s SER 2 CO 0.00 0.16 0.13 -0.55 1.20 0.00 0.00 173.24 174.18 1wf6 s SER 3 N -0.16 0.17 0.24 5.45 0.15 -1.26 -5.18 113.70 113.11 1wf6 s SER 3 Ca 0.24 -1.35 0.01 0.00 0.70 0.00 0.00 55.95 55.54 1wf6 s SER 3 Cb -0.16 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1wf6 s SER 3 CO 0.11 -0.83 0.10 0.61 1.20 0.00 0.00 173.24 174.43 1wf6 n GLY 4 N -0.25 1.36 3.21 9.45 0.00 -1.26 -5.14 105.19 112.55 1wf6 n GLY 4 Ca 0.01 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 1wf6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf6 s SER 5 N -1.44 0.17 0.31 1.61 0.15 -1.26 -5.18 113.70 108.05 1wf6 s SER 5 Ca 0.07 -1.33 0.03 0.00 0.70 0.00 0.00 55.95 55.42 1wf6 s SER 5 Cb -0.00 0.37 -0.06 0.00 -1.71 0.00 0.00 66.02 64.62 1wf6 s SER 5 CO 0.05 -0.83 0.08 -0.44 1.20 0.00 0.00 173.24 173.30 1wf6 s SER 6 N -3.13 1.96 0.15 5.45 0.01 -1.26 -5.17 113.70 111.71 1wf6 s SER 6 Ca 0.35 -1.40 -0.00 0.00 1.31 0.00 0.00 55.95 56.20 1wf6 s SER 6 Cb 0.07 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1wf6 s SER 6 CO 0.10 -0.68 0.20 0.61 0.41 0.00 0.00 173.24 173.88 1wf6 n GLY 7 N -0.62 2.78 3.39 3.44 0.00 -1.26 -5.19 105.19 107.73 1wf6 n GLY 7 Ca -0.02 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1wf6 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf6 s SER 8 N -1.94 -0.43 -0.11 1.61 0.15 -1.26 -5.15 113.70 106.58 1wf6 s SER 8 Ca 0.13 0.30 -0.31 0.00 0.70 0.00 0.00 55.95 56.76 1wf6 s SER 8 Cb -0.00 0.46 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 1wf6 s SER 8 CO 0.09 -0.62 1.05 -1.61 1.20 0.00 0.00 173.24 173.35 1wf6 s GLU 9 N -1.83 0.56 0.31 5.44 2.02 -1.26 -5.17 118.70 118.76 1wf6 s GLU 9 Ca -0.09 -0.15 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 1wf6 s GLU 9 Cb -0.01 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 1wf6 s GLU 9 CO 0.03 -0.23 0.55 0.45 0.02 0.00 0.00 175.26 176.08 1wf6 s SER 10 N -2.11 6.38 -0.30 -0.19 0.15 -1.26 -4.45 113.70 111.92 1wf6 s SER 10 Ca 0.06 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.22 1wf6 s SER 10 Cb -0.01 -2.10 0.15 0.00 -1.71 0.00 0.00 66.02 62.35 1wf6 s SER 10 CO -0.06 -0.23 0.80 -0.51 1.20 0.00 0.00 173.24 174.44 1wf6 s ILE 11 N -2.18 -0.77 0.17 6.45 1.10 -1.26 -5.05 121.20 119.66 1wf6 s ILE 11 Ca 0.42 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.58 1wf6 s ILE 11 Cb -0.10 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.47 1wf6 s ILE 11 CO 0.33 0.00 0.32 0.00 -2.11 0.00 0.00 174.94 173.48 1wf6 s ASN 13 N -3.21 -0.11 -0.11 0.00 0.01 -1.26 -5.13 114.94 105.13 1wf6 s ASN 13 Ca 0.36 0.15 -0.30 0.00 -0.71 0.00 0.00 52.86 52.37 1wf6 s ASN 13 Cb -0.11 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 1wf6 s ASN 13 CO 0.29 -0.08 1.38 -0.94 -1.51 0.00 0.00 177.10 176.23 1wf6 s SER 14 N -0.72 6.87 -0.18 -1.22 1.04 -1.26 -4.28 113.70 113.95 1wf6 s SER 14 Ca 0.07 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 1wf6 s SER 14 Cb -0.02 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.60 1wf6 s SER 14 CO -0.08 -0.79 0.20 -0.11 0.98 0.00 0.00 173.24 173.44 1wf6 n LEU 15 N 6.48 -6.19 0.00 2.42 7.94 -1.26 -5.05 117.00 121.34 1wf6 n LEU 15 Ca 0.14 2.08 0.00 0.00 -1.11 0.00 0.00 56.01 57.12 1wf6 n LEU 15 Cb 0.44 -3.11 0.00 0.00 0.53 0.00 0.00 43.42 41.28 1wf6 n LEU 15 CO 0.58 -3.84 0.00 0.59 -1.11 0.00 0.00 177.39 173.61 1wf6 n ASN 16 N 1.69 0.00 -4.62 1.96 3.02 -1.26 -5.10 115.26 110.96 1wf6 n ASN 16 Ca -0.34 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 53.68 1wf6 n ASN 16 Cb 0.53 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 1wf6 n ASN 16 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wf6 n SER 17 N 0.00 2.59 -4.62 6.41 2.88 -1.26 -4.86 113.62 114.76 1wf6 n SER 17 Ca 0.00 0.83 -0.43 0.00 -1.33 0.00 0.00 58.87 57.94 1wf6 n SER 17 Cb 0.00 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 1wf6 n SER 17 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wf6 s LYS 18 N 4.59 3.86 0.61 -1.46 1.02 -1.26 -4.78 119.74 122.32 1wf6 s LYS 18 Ca 1.01 0.77 0.00 0.00 0.02 0.00 0.00 55.97 57.77 1wf6 s LYS 18 Cb -0.90 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 1wf6 s LYS 18 CO 0.57 -1.19 0.00 1.28 -0.92 0.00 0.00 175.35 175.09 1wf6 n LEU 19 N 7.46 -1.61 -4.75 3.17 4.32 -1.26 -3.43 117.00 120.89 1wf6 n LEU 19 Ca 0.12 2.84 -0.37 0.00 -0.02 0.00 0.00 56.01 58.58 1wf6 n LEU 19 Cb 0.48 -3.20 0.03 0.00 -1.62 0.00 0.00 43.42 39.12 1wf6 n LEU 19 CO 0.67 -1.05 0.91 -1.61 -1.22 0.00 0.00 177.39 175.10 1wf6 s GLU 20 N -5.28 3.12 -1.15 3.23 2.02 -1.26 -4.42 118.70 114.96 1wf6 s GLU 20 Ca 0.00 2.04 -0.14 0.00 0.02 0.00 0.00 54.97 56.89 1wf6 s GLU 20 Cb 0.00 -2.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.02 1wf6 s GLU 20 CO 0.00 -1.14 2.24 -0.35 0.02 0.00 0.00 175.26 176.03 1wf6 n PRO 21 N -1.19 2.41 -4.39 0.39 -0.04 -1.26 -4.62 135.00 126.30 1wf6 n PRO 21 Ca 0.11 -2.02 -0.23 0.00 -0.04 0.00 0.00 63.50 61.32 1wf6 n PRO 21 Cb 0.47 -2.89 -0.11 0.00 -0.04 0.00 0.00 33.50 30.93 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 3.61 2.12 0.21 0.52 -4.23 -1.26 -4.65 115.64 111.96 1wf6 s THR 22 Ca 0.53 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1wf6 s THR 22 Cb 0.14 -2.06 0.15 0.00 1.34 0.00 0.00 72.50 72.07 1wf6 s THR 22 CO -0.01 -0.31 1.77 0.25 -0.54 0.00 0.00 174.62 175.78 1wf6 h LEU 23 N 2.93 0.36 -1.79 4.79 6.46 -1.92 0.83 115.31 126.96 1wf6 h LEU 23 Ca -0.42 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 1wf6 h LEU 23 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1wf6 h LEU 23 CO 0.53 0.22 0.23 -0.33 -0.62 0.00 0.00 178.44 178.47 1wf6 h GLU 24 N 0.51 0.00 0.00 1.25 3.07 -1.96 0.34 114.58 117.80 1wf6 h GLU 24 Ca 0.31 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.10 1wf6 h GLU 24 Cb 0.32 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.09 1wf6 h GLU 24 CO -0.26 0.00 -0.61 0.09 -1.40 0.00 0.00 179.01 176.83 1wf6 n ASN 25 N -2.63 1.18 -0.16 1.42 3.02 0.16 -4.83 115.26 113.43 1wf6 n ASN 25 Ca -0.02 -2.67 -0.03 0.00 -0.03 0.00 0.00 54.58 51.83 1wf6 n ASN 25 Cb 0.27 -0.36 0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.62 0.20 -1.29 3.41 6.46 0.45 0.60 115.31 125.77 1wf6 h LEU 26 Ca -0.08 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1wf6 h LEU 26 Cb 1.41 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.33 1wf6 h LEU 26 CO 0.04 0.14 0.51 -0.33 -0.62 0.00 0.00 178.44 178.17 1wf6 h GLU 27 N 0.36 0.88 -1.05 1.25 5.08 -1.85 -1.70 114.58 117.56 1wf6 h GLU 27 Ca 0.24 -0.05 -0.62 0.00 -1.00 0.00 0.00 59.36 57.92 1wf6 h GLU 27 Cb 0.24 -0.20 -0.37 0.00 0.50 0.00 0.00 28.75 28.93 1wf6 h GLU 27 CO -0.23 0.58 -0.05 0.09 -1.00 0.00 0.00 179.01 178.40 1wf6 n ASN 28 N -4.46 6.11 -4.50 1.42 4.13 -0.08 -4.91 115.26 112.97 1wf6 n ASN 28 Ca 0.10 -3.77 -0.36 0.00 1.68 0.00 0.00 54.58 52.23 1wf6 n ASN 28 Cb 0.15 -0.64 -0.12 0.00 -1.54 0.00 0.00 39.78 37.63 1wf6 n ASN 28 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wf6 s LEU 29 N -3.72 3.59 -0.95 3.41 1.98 0.19 -4.11 118.68 119.07 1wf6 s LEU 29 Ca 0.56 -0.13 -0.24 0.00 -2.89 0.00 0.00 54.13 51.43 1wf6 s LEU 29 Cb 0.45 -1.96 -0.01 0.00 0.66 0.00 0.00 46.19 45.33 1wf6 s LEU 29 CO -0.05 0.00 1.76 -0.62 -1.89 0.00 0.00 176.35 175.55 1wf6 s ASP 30 N 1.39 5.67 0.42 3.68 2.15 -1.22 -4.74 116.67 124.01 1wf6 s ASP 30 Ca 0.06 -1.00 0.29 0.00 0.43 0.00 0.00 52.55 52.32 1wf6 s ASP 30 Cb -0.15 -2.56 1.50 0.00 -0.30 0.00 0.00 42.92 41.41 1wf6 s ASP 30 CO 0.04 -2.27 1.88 1.62 -0.17 0.00 0.00 175.17 176.27 1wf6 h VAL 31 N 7.05 0.00 -0.00 1.11 3.04 -1.95 0.43 116.25 125.94 1wf6 h VAL 31 Ca 0.14 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1wf6 h VAL 31 Cb 1.00 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1wf6 h VAL 31 CO 1.29 0.00 -0.24 -1.20 -1.01 0.00 0.00 177.57 176.42 1wf6 n SER 32 N -2.53 0.32 -0.03 3.17 7.64 -1.26 -3.74 113.62 117.18 1wf6 n SER 32 Ca -0.01 -0.03 -0.14 0.00 1.01 0.00 0.00 58.87 59.69 1wf6 n SER 32 Cb 0.09 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wf6 h ALA 33 N 3.12 0.05 -1.42 -0.43 0.00 -0.51 -3.44 119.26 116.63 1wf6 h ALA 33 Ca 0.00 -0.40 -0.77 0.00 0.00 0.00 0.00 54.91 53.74 1wf6 h ALA 33 Cb 0.48 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wf6 h ALA 33 CO 0.00 -0.00 0.86 1.19 0.00 0.00 0.00 179.25 181.30 1wf6 n PHE 34 N -4.61 2.00 1.36 0.00 3.72 -1.24 -4.80 117.46 113.88 1wf6 n PHE 34 Ca -0.09 0.67 0.13 0.00 -0.05 0.00 0.00 57.45 58.11 1wf6 n PHE 34 Cb 0.42 -2.41 0.43 0.00 -0.94 0.00 0.00 39.48 36.98 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 5.13 1.81 -0.86 -1.08 1.13 -1.26 -4.96 117.38 117.29 1wf6 n GLN 35 Ca 0.28 -1.18 -0.36 0.00 -1.94 0.00 0.00 57.00 53.79 1wf6 n GLN 35 Cb 0.09 -1.47 0.09 0.00 0.11 0.00 0.00 30.24 29.06 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 0.43 -5.07 -1.56 -1.58 0.00 -1.20 -4.92 120.51 106.61 1wf6 n ALA 36 Ca 0.18 -1.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.01 1wf6 n ALA 36 Cb 0.40 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.63 2.43 0.00 0.00 0.04 -1.26 -4.93 135.00 128.65 1wf6 s PRO 37 Ca 0.45 0.76 0.29 0.00 0.04 0.00 0.00 61.00 62.54 1wf6 s PRO 37 Cb -0.00 -1.95 1.69 0.00 0.04 0.00 0.00 34.50 34.28 1wf6 s PRO 37 CO 0.67 -1.41 2.06 0.39 0.04 0.00 0.00 177.00 178.75 1wf6 n GLU 38 N -3.31 0.84 -0.54 4.56 -0.58 -1.26 -2.58 120.64 117.77 1wf6 n GLU 38 Ca 0.07 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.87 1wf6 n GLU 38 Cb 0.55 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 30.02 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 -1.04 1.35 -0.20 1.62 8.00 -1.23 -2.82 116.55 122.23 1wf6 n ASP 39 Ca 0.21 -2.79 -0.06 0.00 0.71 0.00 0.00 54.79 52.85 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 0.25 -0.39 0.00 0.00 177.20 177.06 1wf6 h LEU 40 N 0.39 -1.09 -5.05 0.64 5.85 0.08 0.26 115.31 116.38 1wf6 h LEU 40 Ca -0.04 0.16 -0.61 0.00 0.84 0.00 0.00 57.88 58.24 1wf6 h LEU 40 Cb 1.26 0.48 -0.15 0.00 0.37 0.00 0.00 40.66 42.63 1wf6 h LEU 40 CO 0.02 -0.13 1.38 0.18 -0.34 0.00 0.00 178.44 179.55 1wf6 n LEU 41 N -4.14 7.22 -4.66 2.25 4.77 0.45 -4.80 117.00 118.09 1wf6 n LEU 41 Ca 0.01 -4.44 -0.43 0.00 -0.03 0.00 0.00 56.01 51.12 1wf6 n LEU 41 Cb 0.14 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 1wf6 n LEU 41 CO -0.07 1.90 1.15 -0.62 -1.33 0.00 0.00 177.39 178.41 1wf6 s ASP 42 N 0.44 6.88 -0.85 -1.43 2.15 0.91 -2.58 116.67 122.18 1wf6 s ASP 42 Ca 0.57 1.82 -0.01 0.00 0.43 0.00 0.00 52.55 55.35 1wf6 s ASP 42 Cb 0.28 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1wf6 s ASP 42 CO -0.15 -0.80 0.17 0.61 -0.17 0.00 0.00 175.17 174.83 1wf6 n GLY 43 N 3.73 0.00 2.83 2.66 0.00 -1.26 -5.00 105.19 108.15 1wf6 n GLY 43 Ca 0.15 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 1.51 3.34 0.26 0.00 0.52 -1.26 -3.07 118.95 120.25 1wf6 s ARG 45 Ca 0.03 -0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 1wf6 s ARG 45 Cb -0.18 -3.97 -0.03 0.00 0.52 0.00 0.00 34.95 31.29 1wf6 s ARG 45 CO -0.14 -1.16 0.38 0.42 0.02 0.00 0.00 175.30 174.83 1wf6 s ILE 46 N 3.22 5.09 -0.09 1.52 1.09 -1.24 0.20 121.20 130.98 1wf6 s ILE 46 Ca 0.27 -0.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1wf6 s ILE 46 Cb -0.13 -3.80 0.02 0.00 -1.06 0.00 0.00 42.46 37.49 1wf6 s ILE 46 CO 0.20 -0.32 -0.08 -0.47 -0.10 0.00 0.00 174.94 174.18 1wf6 s TYR 47 N -2.02 1.32 0.01 3.97 5.04 0.53 -2.49 117.35 123.70 1wf6 s TYR 47 Ca 0.36 -0.58 -0.25 0.00 -2.44 0.00 0.00 57.07 54.16 1wf6 s TYR 47 Cb -0.09 -1.09 -0.05 0.00 0.35 0.00 0.00 41.96 41.08 1wf6 s TYR 47 CO 0.30 -0.41 0.76 -0.51 -1.34 0.00 0.00 175.55 174.35 1wf6 s LEU 48 N 1.40 4.41 -0.22 6.97 1.43 -1.07 -1.31 118.68 130.29 1wf6 s LEU 48 Ca -0.01 1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 54.44 1wf6 s LEU 48 Cb -0.13 -3.21 0.11 0.00 0.03 0.00 0.00 46.19 42.98 1wf6 s LEU 48 CO -0.04 -0.04 0.28 0.00 0.23 0.00 0.00 176.35 176.78 1wf6 n GLY 50 N 5.34 2.30 2.96 0.00 0.00 -1.26 -2.92 105.19 111.61 1wf6 n GLY 50 Ca -0.05 -0.75 -0.47 0.00 0.00 0.00 0.00 46.02 44.75 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 0.14 -2.92 1.61 3.72 -1.26 -4.92 117.46 113.83 1wf6 n PHE 51 Ca 0.00 0.88 -0.02 0.00 -0.05 0.00 0.00 57.45 58.26 1wf6 n PHE 51 Cb 0.00 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 1wf6 n PHE 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1wf6 s SER 52 N -0.36 -1.28 0.00 4.37 0.01 -1.26 -4.78 113.70 110.40 1wf6 s SER 52 Ca 0.68 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1wf6 s SER 52 Cb -0.96 1.66 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1wf6 s SER 52 CO 0.48 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1wf6 n GLY 53 N 3.50 -0.36 0.10 3.44 0.00 -1.26 -4.94 105.19 105.67 1wf6 n GLY 53 Ca 0.14 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 1wf6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf6 n ARG 54 N 0.00 0.53 -0.43 1.61 1.74 -1.26 -3.55 116.66 115.29 1wf6 n ARG 54 Ca 0.00 0.32 0.36 0.00 -0.77 0.00 0.00 57.85 57.76 1wf6 n ARG 54 Cb 0.00 -1.52 0.64 0.00 -1.02 0.00 0.00 32.46 30.56 1wf6 n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wf6 h LYS 55 N -1.00 0.07 0.00 5.56 1.57 -1.91 0.45 116.57 121.31 1wf6 h LYS 55 Ca -0.16 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1wf6 h LYS 55 Cb 1.03 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1wf6 h LYS 55 CO -0.10 0.05 0.00 -0.11 -0.57 0.00 0.00 179.45 178.72 1wf6 n LEU 56 N -4.77 0.08 -0.47 2.94 7.94 -1.26 -1.88 117.00 119.58 1wf6 n LEU 56 Ca 0.38 0.70 0.39 0.00 -1.11 0.00 0.00 56.01 56.36 1wf6 n LEU 56 Cb 1.42 -0.47 0.64 0.00 0.53 0.00 0.00 43.42 45.54 1wf6 n LEU 56 CO 0.18 -0.47 1.16 -0.67 -1.11 0.00 0.00 177.39 176.47 1wf6 n ASP 57 N -1.92 0.17 0.23 1.96 2.03 -0.28 0.62 116.55 119.36 1wf6 n ASP 57 Ca 0.00 1.23 -0.09 0.00 0.52 0.00 0.00 54.79 56.45 1wf6 n ASP 57 Cb 0.00 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 39.75 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 -0.58 -1.02 -0.67 1.79 -0.17 -2.87 116.57 113.04 1wf6 h LYS 58 Ca 0.82 0.04 0.31 0.00 -2.18 0.00 0.00 60.65 59.64 1wf6 h LYS 58 Cb 2.73 0.13 -0.14 0.00 -1.58 0.00 0.00 32.23 33.38 1wf6 h LYS 58 CO -0.37 -0.39 0.60 -0.07 -1.08 0.00 0.00 179.45 178.13 1wf6 h LEU 59 N -0.71 0.54 -1.52 2.94 3.38 0.92 1.49 115.31 122.34 1wf6 h LEU 59 Ca -0.06 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.26 1wf6 h LEU 59 Cb 0.46 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1wf6 h LEU 59 CO 0.10 -0.07 0.57 0.03 0.09 0.00 0.00 178.44 179.17 1wf6 h ARG 60 N 0.38 0.41 0.12 1.13 3.08 -0.70 1.10 114.38 119.90 1wf6 h ARG 60 Ca 0.71 -0.02 -0.32 0.00 0.07 0.00 0.00 59.98 60.41 1wf6 h ARG 60 Cb 1.60 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1wf6 h ARG 60 CO -0.55 0.27 -1.65 0.00 -1.07 0.00 0.00 179.97 176.98 1wf6 h ARG 61 N 0.42 0.25 0.16 0.04 3.08 0.22 -3.11 114.38 115.44 1wf6 h ARG 61 Ca 0.44 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1wf6 h ARG 61 Cb 1.07 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1wf6 h ARG 61 CO -0.16 1.10 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.69 1wf6 h LEU 62 N 0.07 -0.18 -0.84 3.04 4.07 0.95 0.54 115.31 122.96 1wf6 h LEU 62 Ca -0.29 0.01 0.16 0.00 0.08 0.00 0.00 57.88 57.84 1wf6 h LEU 62 Cb 2.03 0.05 -0.16 0.00 1.08 0.00 0.00 40.66 43.66 1wf6 h LEU 62 CO 0.15 -0.07 -0.24 0.40 -1.08 0.00 0.00 178.44 177.59 1wf6 h ILE 63 N -0.32 0.14 -0.42 1.22 2.04 0.95 0.92 117.51 122.04 1wf6 h ILE 63 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1wf6 h ILE 63 Cb 0.16 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1wf6 h ILE 63 CO 0.04 0.00 0.24 -1.13 0.00 0.00 0.00 178.15 177.30 1wf6 h ASN 64 N -0.02 0.52 -0.75 1.72 -1.24 -1.59 0.39 115.58 114.60 1wf6 h ASN 64 Ca 0.38 -0.07 0.08 0.00 0.71 0.00 0.00 56.30 57.40 1wf6 h ASN 64 Cb 0.61 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.48 1wf6 h ASN 64 CO -0.87 0.44 0.49 -1.28 -1.29 0.00 0.00 177.43 174.93 1wf6 h SER 65 N 0.55 0.65 0.19 1.15 0.87 0.59 0.42 113.55 117.97 1wf6 h SER 65 Ca 0.15 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1wf6 h SER 65 Cb 0.03 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1wf6 h SER 65 CO -0.03 0.40 -0.06 0.61 -0.53 0.00 0.00 176.83 177.23 1wf6 n GLY 66 N -1.45 -0.77 2.58 5.77 0.00 0.24 -4.00 105.19 107.56 1wf6 n GLY 66 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.18 2.59 3.37 -0.02 0.00 0.15 0.17 105.19 112.64 1wf6 n GLY 67 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.43 4.00 -0.02 0.00 0.12 -4.78 105.19 100.07 1wf6 n GLY 68 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 1wf6 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf6 s VAL 69 N -2.31 3.49 -0.39 1.61 0.11 -1.17 -4.06 120.40 117.68 1wf6 s VAL 69 Ca 0.64 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1wf6 s VAL 69 Cb -0.20 -3.19 0.15 0.00 -1.53 0.00 0.00 36.38 31.60 1wf6 s VAL 69 CO 0.64 -0.07 0.25 -0.60 -3.33 0.00 0.00 175.10 171.99 1wf6 s ARG 70 N -4.26 0.81 0.53 1.54 3.52 -1.26 -3.69 118.95 116.15 1wf6 s ARG 70 Ca 0.50 -1.67 -0.10 0.00 -0.13 0.00 0.00 55.73 54.32 1wf6 s ARG 70 Cb -0.10 -1.57 -0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1wf6 s ARG 70 CO 0.32 -1.24 0.92 -0.06 -0.81 0.00 0.00 175.30 174.43 1wf6 s PHE 71 N 0.66 3.56 -0.22 5.12 0.40 -1.04 -4.93 117.98 121.53 1wf6 s PHE 71 Ca 0.21 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.74 1wf6 s PHE 71 Cb -0.17 -2.58 -0.02 0.00 0.51 0.00 0.00 43.02 40.76 1wf6 s PHE 71 CO -0.04 -0.44 0.25 -1.71 0.70 0.00 0.00 175.22 173.98 1wf6 n ASN 72 N -2.20 0.42 -4.32 1.36 4.05 -1.26 -2.61 115.26 110.69 1wf6 n ASN 72 Ca 0.04 -0.71 -0.26 0.00 0.45 0.00 0.00 54.58 54.10 1wf6 n ASN 72 Cb 0.54 0.76 -0.13 0.00 1.23 0.00 0.00 39.78 42.19 1wf6 n ASN 72 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1wf6 s GLN 73 N -1.06 1.26 -0.36 1.20 -0.21 -1.26 -4.98 119.66 114.26 1wf6 s GLN 73 Ca 0.02 -1.21 -0.23 0.00 0.02 0.00 0.00 55.36 53.96 1wf6 s GLN 73 Cb 0.02 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.44 1wf6 s GLN 73 CO 0.11 0.38 0.75 -1.17 -2.12 0.00 0.00 175.29 173.23 1wf6 s LEU 74 N -1.89 4.15 0.00 2.90 1.98 -1.26 -4.97 118.68 119.60 1wf6 s LEU 74 Ca 0.09 0.34 0.04 0.00 -2.89 0.00 0.00 54.13 51.71 1wf6 s LEU 74 Cb -0.10 -2.97 -0.01 0.00 0.66 0.00 0.00 46.19 43.76 1wf6 s LEU 74 CO 0.05 -0.69 0.13 -0.46 -1.89 0.00 0.00 176.35 173.49 1wf6 n ASN 75 N 6.31 -0.19 0.09 3.68 0.23 -1.26 -4.86 115.26 119.26 1wf6 n ASN 75 Ca 0.02 -2.10 -0.13 0.00 -0.53 0.00 0.00 54.58 51.84 1wf6 n ASN 75 Cb 0.48 0.80 -0.11 0.00 -2.08 0.00 0.00 39.78 38.88 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wf6 h GLU 76 N 0.00 0.23 0.00 -3.83 5.08 -1.97 -3.10 114.58 110.99 1wf6 h GLU 76 Ca -0.12 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wf6 h GLU 76 Cb 0.60 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1wf6 h GLU 76 CO 0.18 1.14 0.21 0.22 -1.00 0.00 0.00 179.01 179.75 1wf6 h ASP 77 N 0.08 0.00 -3.17 1.42 3.58 -1.97 -3.41 116.42 112.96 1wf6 h ASP 77 Ca -0.10 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.83 1wf6 h ASP 77 Cb 1.83 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.92 1wf6 h ASP 77 CO 0.18 0.00 0.73 -0.69 -2.88 0.00 0.00 179.24 176.58 1wf6 s VAL 78 N -4.00 3.06 -0.40 2.25 1.01 -1.17 -4.67 120.40 116.48 1wf6 s VAL 78 Ca -0.04 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.84 1wf6 s VAL 78 Cb 0.09 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1wf6 s VAL 78 CO 0.29 0.09 0.35 0.35 0.00 0.00 0.00 175.10 176.19 1wf6 n THR 79 N 3.23 0.00 -3.60 3.92 -2.24 0.52 -4.88 114.28 111.23 1wf6 n THR 79 Ca 0.09 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1wf6 n THR 79 Cb 0.42 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.62 -0.71 -0.36 4.78 3.76 -0.64 -4.15 115.29 116.33 1wf6 s HIS 80 Ca 0.03 1.59 0.02 0.00 -0.15 0.00 0.00 55.06 56.55 1wf6 s HIS 80 Cb 0.06 0.30 0.11 0.00 1.11 0.00 0.00 32.58 34.16 1wf6 s HIS 80 CO 0.29 -0.44 0.11 0.08 -0.85 0.00 0.00 174.74 173.93 1wf6 s VAL 81 N -0.17 1.72 -0.64 -0.90 1.01 0.12 0.20 120.40 121.72 1wf6 s VAL 81 Ca -0.04 -2.16 -0.26 0.00 0.00 0.00 0.00 61.98 59.52 1wf6 s VAL 81 Cb -0.03 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1wf6 s VAL 81 CO 0.04 -0.69 1.15 -0.63 0.00 0.00 0.00 175.10 174.97 1wf6 s ILE 82 N 0.94 4.02 0.31 2.22 -1.09 -0.43 -0.96 121.20 126.21 1wf6 s ILE 82 Ca 0.12 0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 58.85 1wf6 s ILE 82 Cb -0.20 -4.76 -0.08 0.00 -1.58 0.00 0.00 42.46 35.84 1wf6 s ILE 82 CO -0.12 -1.51 0.68 -0.69 -1.23 0.00 0.00 174.94 172.07 1wf6 s VAL 83 N 4.94 4.78 -0.04 2.92 1.01 0.52 -3.07 120.40 131.45 1wf6 s VAL 83 Ca 0.35 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1wf6 s VAL 83 Cb -0.10 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1wf6 s VAL 83 CO 0.18 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1wf6 n GLY 84 N -0.45 -0.17 1.48 4.51 0.00 -1.15 -3.24 105.19 106.17 1wf6 n GLY 84 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.23 0.35 -3.60 1.61 -0.08 -1.26 -4.95 116.55 106.39 1wf6 n ASP 85 Ca -0.07 0.21 -0.08 0.00 -1.51 0.00 0.00 54.79 53.35 1wf6 n ASP 85 Cb 0.62 0.01 -0.02 0.00 2.34 0.00 0.00 41.12 44.07 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1wf6 s TYR 86 N -2.00 -0.32 -0.65 -0.67 -0.85 -1.26 -5.09 117.35 106.50 1wf6 s TYR 86 Ca 0.00 0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.67 1wf6 s TYR 86 Cb 0.00 0.60 0.16 0.00 0.38 0.00 0.00 41.96 43.10 1wf6 s TYR 86 CO 0.00 -0.81 0.43 0.16 -1.52 0.00 0.00 175.55 173.81 1wf6 s ASP 87 N -2.74 4.73 0.01 -0.18 -4.77 -1.26 -4.60 116.67 107.87 1wf6 s ASP 87 Ca 0.07 -3.55 0.19 0.00 -3.30 0.00 0.00 52.55 45.95 1wf6 s ASP 87 Cb -0.02 -1.66 -0.18 0.00 -1.09 0.00 0.00 42.92 39.97 1wf6 s ASP 87 CO -0.05 -0.14 0.65 0.47 0.70 0.00 0.00 175.17 176.80 1wf6 n ASP 88 N 2.39 0.55 -0.00 2.11 8.00 -1.26 -4.18 116.55 124.16 1wf6 n ASP 88 Ca 0.15 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.71 1wf6 n ASP 88 Cb 0.34 0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 42.02 1wf6 n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1wf6 h GLU 89 N 0.00 0.57 -0.93 -1.24 4.57 -2.01 -3.20 114.58 112.34 1wf6 h GLU 89 Ca -0.18 -0.53 0.27 0.00 -1.18 0.00 0.00 59.36 57.73 1wf6 h GLU 89 Cb 1.53 0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 30.11 1wf6 h GLU 89 CO 0.03 1.16 0.36 1.25 -1.18 0.00 0.00 179.01 180.63 1wf6 h LEU 90 N 0.17 0.20 -1.20 1.64 6.46 -1.96 1.48 115.31 122.10 1wf6 h LEU 90 Ca -0.07 0.19 0.23 0.00 -0.12 0.00 0.00 57.88 58.12 1wf6 h LEU 90 Cb 1.35 0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 41.39 1wf6 h LEU 90 CO 0.14 -0.14 0.63 0.11 -0.62 0.00 0.00 178.44 178.56 1wf6 h LYS 91 N 0.26 0.52 -0.41 1.25 1.57 -1.73 0.41 116.57 118.44 1wf6 h LYS 91 Ca 0.62 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.31 1wf6 h LYS 91 Cb 1.31 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1wf6 h LYS 91 CO -0.63 0.35 0.05 1.96 -0.57 0.00 0.00 179.45 180.60 1wf6 h GLN 92 N 0.54 0.70 0.00 3.15 1.08 0.19 -2.41 115.11 118.36 1wf6 h GLN 92 Ca 0.59 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.56 1wf6 h GLN 92 Cb 1.24 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1wf6 h GLN 92 CO -0.35 0.75 -0.17 0.35 -0.95 0.00 0.00 178.83 178.46 1wf6 h PHE 93 N 0.54 0.00 0.00 2.96 3.57 0.01 0.68 116.94 124.71 1wf6 h PHE 93 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1wf6 h PHE 93 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1wf6 h PHE 93 CO 0.03 0.17 0.00 0.91 -2.23 0.00 0.00 178.31 177.19 1wf6 n TRP 94 N -3.84 0.66 0.38 0.41 8.01 0.23 -1.49 117.44 121.80 1wf6 n TRP 94 Ca -0.02 0.21 0.11 0.00 -1.31 0.00 0.00 57.50 56.49 1wf6 n TRP 94 Cb 0.27 -0.84 0.18 0.00 -2.01 0.00 0.00 31.31 28.91 1wf6 n TRP 94 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1wf6 n ASN 95 N -2.05 3.27 0.00 -0.99 5.15 0.20 -4.66 115.26 116.17 1wf6 n ASN 95 Ca 0.05 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.08 1wf6 n ASN 95 Cb 0.35 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1wf6 n ASN 95 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wf6 n LYS 96 N 1.36 0.00 -4.02 1.20 5.02 -0.87 -5.08 118.16 115.77 1wf6 n LYS 96 Ca 0.17 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 1wf6 n LYS 96 Cb 0.57 -0.05 -0.03 0.00 -0.02 0.00 0.00 35.03 35.49 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 -1.95 5.97 -0.59 4.39 0.01 -0.56 -5.07 113.70 115.91 1wf6 s SER 97 Ca 0.00 -0.03 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 1wf6 s SER 97 Cb 0.00 -1.68 0.13 0.00 0.21 0.00 0.00 66.02 64.68 1wf6 s SER 97 CO 0.00 -0.01 0.61 0.00 0.41 0.00 0.00 173.24 174.25 1wf6 s ALA 98 N -1.93 3.58 -0.18 1.44 0.00 -1.26 -4.34 121.76 119.07 1wf6 s ALA 98 Ca 0.33 -2.48 -0.27 0.00 0.00 0.00 0.00 51.96 49.54 1wf6 s ALA 98 Cb -0.09 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1wf6 s ALA 98 CO 0.27 -2.19 0.73 -1.58 0.00 0.00 0.00 175.76 172.99 1wf6 s HIS 99 N 1.95 -0.71 -0.56 0.00 5.04 -1.26 -5.12 115.29 114.63 1wf6 s HIS 99 Ca 0.08 1.54 0.01 0.00 -1.54 0.00 0.00 55.06 55.16 1wf6 s HIS 99 Cb -0.26 0.33 0.14 0.00 0.04 0.00 0.00 32.58 32.84 1wf6 s HIS 99 CO 0.03 -0.46 0.34 0.50 -2.34 0.00 0.00 174.74 172.81 1wf6 s ARG 100 N -0.27 2.23 0.84 2.88 3.00 -1.26 -4.89 118.95 121.48 1wf6 s ARG 100 Ca -0.04 -2.59 -0.12 0.00 -1.00 0.00 0.00 55.73 51.99 1wf6 s ARG 100 Cb -0.03 -3.49 0.09 0.00 0.00 0.00 0.00 34.95 31.52 1wf6 s ARG 100 CO 0.04 -1.14 1.11 -1.25 0.00 0.00 0.00 175.30 174.07 1wf6 s PRO 101 N -0.20 1.76 -0.62 5.12 0.04 -1.26 -4.98 135.00 134.86 1wf6 s PRO 101 Ca 0.17 0.52 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 1wf6 s PRO 101 Cb -0.23 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1wf6 s PRO 101 CO -0.02 -1.82 0.94 -1.01 0.04 0.00 0.00 177.00 175.14 1wf6 s HIS 102 N -3.20 2.72 -0.82 0.56 3.76 -1.26 -4.89 115.29 112.16 1wf6 s HIS 102 Ca 0.62 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.92 1wf6 s HIS 102 Cb -0.14 -4.19 0.09 0.00 1.11 0.00 0.00 32.58 29.45 1wf6 s HIS 102 CO 0.54 -1.54 1.10 0.08 -0.85 0.00 0.00 174.74 174.07 1wf6 s VAL 103 N 3.97 4.43 0.46 -0.90 1.01 -1.26 0.10 120.40 128.21 1wf6 s VAL 103 Ca 0.24 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1wf6 s VAL 103 Cb -0.16 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.42 1wf6 s VAL 103 CO 0.13 -1.55 0.05 0.68 0.00 0.00 0.00 175.10 174.41 1wf6 s VAL 104 N 3.64 1.04 0.06 2.92 -7.23 -0.14 -0.24 120.40 120.46 1wf6 s VAL 104 Ca 0.30 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1wf6 s VAL 104 Cb -0.09 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1wf6 s VAL 104 CO -0.00 0.00 0.11 -0.83 -0.31 0.00 0.00 175.10 174.06 1wf6 s GLY 105 N -3.75 2.06 0.52 2.32 0.00 -1.18 0.20 107.32 107.48 1wf6 s GLY 105 Ca 0.16 -0.95 0.43 0.00 0.00 0.00 0.00 44.72 44.36 1wf6 s GLY 105 CO 0.09 -0.91 1.61 0.00 0.00 0.00 0.00 173.10 173.89 1wf6 h ALA 106 N 3.42 3.47 -0.94 3.20 0.00 -1.84 0.68 119.26 127.24 1wf6 h ALA 106 Ca -0.47 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 54.68 1wf6 h ALA 106 Cb 1.17 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 1wf6 h ALA 106 CO 0.67 -2.04 0.00 -0.22 0.00 0.00 0.00 179.25 177.67 1wf6 h LYS 107 N 0.02 0.03 0.49 0.00 1.63 -1.93 0.36 116.57 117.17 1wf6 h LYS 107 Ca 0.87 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.65 1wf6 h LYS 107 Cb 3.29 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 34.91 1wf6 h LYS 107 CO -0.14 0.02 -0.31 2.35 -3.45 0.00 0.00 179.45 177.93 1wf6 h TRP 108 N 0.03 -0.82 -0.99 1.91 7.01 0.04 -0.36 115.95 122.77 1wf6 h TRP 108 Ca 0.55 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.70 1wf6 h TRP 108 Cb 1.08 0.29 -0.16 0.00 -2.10 0.00 0.00 29.16 28.27 1wf6 h TRP 108 CO -0.50 -0.45 -0.38 -0.11 -2.79 0.00 0.00 178.44 174.20 1wf6 n LEU 109 N -4.26 -0.62 0.00 0.65 0.00 0.62 0.35 117.00 113.73 1wf6 n LEU 109 Ca -0.09 1.72 -0.09 0.00 0.00 0.00 0.00 56.01 57.55 1wf6 n LEU 109 Cb 0.31 -0.40 -0.06 0.00 0.00 0.00 0.00 43.42 43.27 1wf6 n LEU 109 CO 0.21 -1.55 0.50 -0.07 0.00 0.00 0.00 177.39 176.48 1wf6 h LEU 110 N 0.00 -0.99 -1.00 -1.96 3.38 -0.13 0.20 115.31 114.81 1wf6 h LEU 110 Ca 0.35 0.12 0.26 0.00 0.09 0.00 0.00 57.88 58.70 1wf6 h LEU 110 Cb 0.60 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 1wf6 h LEU 110 CO -0.98 -0.29 0.59 -0.33 0.09 0.00 0.00 178.44 177.52 1wf6 h GLU 111 N -0.35 0.51 -0.24 1.13 4.39 0.10 1.53 114.58 121.66 1wf6 h GLU 111 Ca 0.02 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1wf6 h GLU 111 Cb 0.40 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1wf6 h GLU 111 CO -0.24 0.34 0.06 0.00 -1.16 0.00 0.00 179.01 178.01 1wf6 h PHE 113 N 0.16 0.43 -0.37 0.00 0.04 0.29 0.40 116.94 117.89 1wf6 h PHE 113 Ca 0.11 -0.18 -0.14 0.00 2.80 0.00 0.00 57.97 60.56 1wf6 h PHE 113 Cb 0.09 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1wf6 h PHE 113 CO -0.14 0.90 -0.32 1.03 -0.60 0.00 0.00 178.31 179.19 1wf6 h SER 114 N 0.23 0.87 1.25 2.17 0.87 0.26 -2.87 113.55 116.33 1wf6 h SER 114 Ca -0.02 -0.36 -0.13 0.00 -1.23 0.00 0.00 61.79 60.05 1wf6 h SER 114 Cb 1.22 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 1wf6 h SER 114 CO 0.11 1.11 -0.78 0.11 -0.53 0.00 0.00 176.83 176.85 1wf6 h LYS 115 N 0.70 0.00 0.00 2.24 1.79 0.18 -3.46 116.57 118.02 1wf6 h LYS 115 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1wf6 h LYS 115 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1wf6 h LYS 115 CO 0.08 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.35 1wf6 n GLY 116 N 1.28 1.46 3.03 3.86 0.00 0.13 -4.98 105.19 109.97 1wf6 n GLY 116 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.33 0.46 0.39 1.61 1.13 -0.25 -4.22 117.35 114.13 1wf6 s TYR 117 Ca 0.00 -0.63 -0.27 0.00 -1.41 0.00 0.00 57.07 54.76 1wf6 s TYR 117 Cb 0.00 -0.30 -0.10 0.00 -1.10 0.00 0.00 41.96 40.46 1wf6 s TYR 117 CO 0.00 -0.19 1.44 -1.64 -2.51 0.00 0.00 175.55 172.65 1wf6 s MET 118 N -2.03 4.05 0.51 -3.49 -1.94 -1.26 -4.30 119.30 110.83 1wf6 s MET 118 Ca -0.09 2.47 0.03 0.00 -1.71 0.00 0.00 55.69 56.39 1wf6 s MET 118 Cb -0.06 -2.90 -0.00 0.00 2.01 0.00 0.00 34.83 33.87 1wf6 s MET 118 CO -0.02 -0.54 0.16 -0.51 -0.01 0.00 0.00 175.02 174.09 1wf6 s LEU 119 N -2.21 2.53 0.49 -0.03 1.43 -1.26 -5.02 118.68 114.61 1wf6 s LEU 119 Ca 0.54 -1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 51.96 1wf6 s LEU 119 Cb -0.44 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 1wf6 s LEU 119 CO 0.59 -0.90 1.30 -0.44 0.23 0.00 0.00 176.35 177.13 1wf6 s SER 120 N -4.02 5.74 0.00 2.29 0.01 -1.26 -4.92 113.70 111.54 1wf6 s SER 120 Ca 0.20 2.62 0.23 0.00 1.31 0.00 0.00 55.95 60.30 1wf6 s SER 120 Cb 0.01 -2.63 0.10 0.00 0.21 0.00 0.00 66.02 63.71 1wf6 s SER 120 CO 0.11 -1.24 1.13 -0.62 0.41 0.00 0.00 173.24 173.04 1wf6 n GLU 121 N -0.64 0.00 -0.18 12.44 4.71 -1.26 -4.14 120.64 131.57 1wf6 n GLU 121 Ca 0.08 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.14 1wf6 n GLU 121 Cb 0.45 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.39 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wf6 h GLU 122 N 0.00 0.86 0.00 3.49 5.08 -1.99 -1.72 114.58 120.30 1wf6 h GLU 122 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1wf6 h GLU 122 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wf6 h GLU 122 CO 0.00 0.86 0.00 -0.35 -1.00 0.00 0.00 179.01 178.52 1wf6 n PRO 123 N -4.38 0.75 -2.70 2.33 -0.04 -1.26 -3.15 135.00 126.56 1wf6 n PRO 123 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1wf6 n PRO 123 Cb 0.27 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.85 0.68 -3.37 0.54 4.01 -0.69 -5.05 117.16 112.43 1wf6 n TYR 124 Ca 0.13 -2.55 -0.37 0.00 -0.16 0.00 0.00 57.90 54.95 1wf6 n TYR 124 Cb 0.06 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.79 4.87 -0.40 -0.72 -1.09 -0.92 -3.09 121.20 117.07 1wf6 s ILE 125 Ca 0.26 0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 59.49 1wf6 s ILE 125 Cb 0.43 -3.77 0.05 0.00 -1.58 0.00 0.00 42.46 37.59 1wf6 s ILE 125 CO 0.01 0.38 0.23 -2.28 -1.23 0.00 0.00 174.94 172.05 1wf6 s HIS 126 N -1.31 3.28 0.00 3.97 2.46 0.66 -4.88 115.29 119.48 1wf6 s HIS 126 Ca 0.33 -1.24 0.00 0.00 0.47 0.00 0.00 55.06 54.62 1wf6 s HIS 126 Cb -0.16 -2.68 0.00 0.00 -0.13 0.00 0.00 32.58 29.61 1wf6 s HIS 126 CO 0.18 -0.75 0.00 0.45 -2.47 0.00 0.00 174.74 172.15 1wf6 n SER 127 N 4.96 0.00 0.00 9.88 2.88 -1.26 -4.90 113.62 125.18 1wf6 n SER 127 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1wf6 n SER 127 Cb 0.44 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1wf6 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 128 N 2.83 1.40 3.77 0.46 0.00 -1.26 -5.01 105.19 107.37 1wf6 n GLY 128 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 -0.27 0.14 1.61 0.04 -1.26 -5.05 135.00 130.21 1wf6 s PRO 129 Ca 0.00 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1wf6 s PRO 129 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1wf6 s PRO 129 CO 0.00 -3.05 0.00 0.43 0.04 0.00 0.00 177.00 174.42 1wf6 n SER 130 N -4.25 0.40 -1.30 6.66 7.64 -1.26 -5.16 113.62 116.36 1wf6 n SER 130 Ca 0.14 0.22 0.16 0.00 1.01 0.00 0.00 58.87 60.40 1wf6 n SER 130 Cb 0.59 -0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 1wf6 n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wf6 n SER 131 N -3.31 -7.04 0.00 6.43 2.88 -1.26 -5.29 113.62 106.03 1wf6 n SER 131 Ca 0.00 1.32 0.14 0.00 -1.33 0.00 0.00 58.87 59.00 1wf6 n SER 131 Cb 0.08 -4.47 0.82 0.00 -0.75 0.00 0.00 64.21 59.89 1wf6 n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42