#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 6.19 0.17 1.61 0.01 -1.26 -5.04 113.70 115.37 1wf6 s SER 2 Ca 0.00 -1.48 0.03 0.00 1.31 0.00 0.00 55.95 55.81 1wf6 s SER 2 Cb 0.00 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1wf6 s SER 2 CO 0.00 -0.99 0.28 -0.44 0.41 0.00 0.00 173.24 172.50 1wf6 s SER 3 N 3.47 6.23 -0.00 2.44 0.01 -1.26 -5.09 113.70 119.50 1wf6 s SER 3 Ca 0.09 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.46 1wf6 s SER 3 Cb -0.25 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1wf6 s SER 3 CO 0.06 0.03 0.02 0.61 0.41 0.00 0.00 173.24 174.37 1wf6 n GLY 4 N -0.70 0.50 0.02 3.44 0.00 -1.26 -4.94 105.19 102.26 1wf6 n GLY 4 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1wf6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf6 n SER 5 N -0.09 -0.04 -1.46 1.61 7.64 -1.26 -4.96 113.62 115.06 1wf6 n SER 5 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1wf6 n SER 5 Cb 0.01 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1wf6 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wf6 n SER 6 N -3.00 -7.93 0.00 6.43 7.64 -1.26 -5.03 113.62 110.47 1wf6 n SER 6 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wf6 n SER 6 Cb 0.00 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1wf6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf6 n GLY 7 N -0.64 -0.75 3.31 0.23 0.00 -1.26 -4.98 105.19 101.11 1wf6 n GLY 7 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.08 -0.15 1.61 0.01 -1.26 -4.96 113.70 109.02 1wf6 s SER 8 Ca 0.00 -0.94 -0.32 0.00 1.31 0.00 0.00 55.95 56.00 1wf6 s SER 8 Cb 0.00 0.42 0.13 0.00 0.21 0.00 0.00 66.02 66.78 1wf6 s SER 8 CO 0.00 -0.87 1.12 -0.70 0.41 0.00 0.00 173.24 173.20 1wf6 s GLU 9 N -3.99 0.44 -0.27 12.44 -6.30 -1.26 -5.10 118.70 114.66 1wf6 s GLU 9 Ca 0.19 -0.10 -0.36 0.00 -2.50 0.00 0.00 54.97 52.20 1wf6 s GLU 9 Cb 0.04 0.20 0.16 0.00 0.00 0.00 0.00 34.13 34.53 1wf6 s GLU 9 CO 0.01 -0.18 1.34 0.45 0.02 0.00 0.00 175.26 176.90 1wf6 s SER 10 N -1.96 -0.05 0.30 -1.70 0.15 -1.26 -5.19 113.70 104.00 1wf6 s SER 10 Ca 0.07 0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.76 1wf6 s SER 10 Cb -0.01 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.30 1wf6 s SER 10 CO -0.05 -0.07 0.11 -0.51 1.20 0.00 0.00 173.24 173.92 1wf6 s ILE 11 N -1.86 0.63 0.11 6.45 2.07 -1.26 -5.14 121.20 122.19 1wf6 s ILE 11 Ca 0.10 -2.00 -0.03 0.00 -1.41 0.00 0.00 60.65 57.31 1wf6 s ILE 11 Cb -0.01 -2.60 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 1wf6 s ILE 11 CO -0.04 0.00 0.08 0.00 -1.91 0.00 0.00 174.94 173.07 1wf6 s ASN 13 N -2.98 4.09 0.03 0.00 2.47 -1.26 -5.09 114.94 112.20 1wf6 s ASN 13 Ca 0.17 0.48 0.07 0.00 0.42 0.00 0.00 52.86 54.00 1wf6 s ASN 13 Cb 0.07 -0.85 -0.02 0.00 -1.45 0.00 0.00 41.25 39.00 1wf6 s ASN 13 CO -0.03 -2.12 -0.20 -0.55 -3.72 0.00 0.00 177.10 170.48 1wf6 s SER 14 N -4.68 2.43 0.00 -4.21 0.15 -1.26 -5.10 113.70 101.03 1wf6 s SER 14 Ca 0.66 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1wf6 s SER 14 Cb -0.08 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1wf6 s SER 14 CO 0.49 0.17 0.00 0.18 1.20 0.00 0.00 173.24 175.29 1wf6 n LEU 15 N 1.99 0.00 -1.23 3.45 4.77 -1.26 -5.17 117.00 119.56 1wf6 n LEU 15 Ca -0.17 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 55.97 1wf6 n LEU 15 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1wf6 n LEU 15 CO 0.23 0.00 -0.42 0.59 -1.33 0.00 0.00 177.39 176.46 1wf6 n ASN 16 N 0.00 -7.24 -4.47 -1.43 4.13 -1.26 -4.85 115.26 100.14 1wf6 n ASN 16 Ca 0.00 0.95 -0.33 0.00 1.68 0.00 0.00 54.58 56.87 1wf6 n ASN 16 Cb 0.00 -4.02 -0.13 0.00 -1.54 0.00 0.00 39.78 34.10 1wf6 n ASN 16 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1wf6 s SER 17 N -6.88 4.58 -0.19 6.41 0.15 -1.26 -4.85 113.70 111.67 1wf6 s SER 17 Ca 0.00 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 1wf6 s SER 17 Cb 0.00 -1.72 0.05 0.00 -1.71 0.00 0.00 66.02 62.63 1wf6 s SER 17 CO 0.00 0.17 0.24 0.29 1.20 0.00 0.00 173.24 175.14 1wf6 n LYS 18 N 3.49 -4.53 -0.80 5.44 5.02 -1.26 -5.05 118.16 120.48 1wf6 n LYS 18 Ca -0.18 3.41 0.00 0.00 -2.02 0.00 0.00 58.31 59.53 1wf6 n LYS 18 Cb 0.53 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1wf6 n LYS 18 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wf6 n LEU 19 N 1.72 0.00 -4.73 -0.35 4.32 0.99 -5.00 117.00 113.95 1wf6 n LEU 19 Ca -0.41 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.23 1wf6 n LEU 19 Cb 0.63 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.51 1wf6 n LEU 19 CO 0.40 -0.44 0.83 -0.70 -1.22 0.00 0.00 177.39 176.25 1wf6 s GLU 20 N -1.54 2.42 -1.14 3.23 2.12 -1.26 -4.67 118.70 117.87 1wf6 s GLU 20 Ca 0.00 1.82 -0.07 0.00 0.36 0.00 0.00 54.97 57.08 1wf6 s GLU 20 Cb 0.00 -1.86 -0.08 0.00 0.26 0.00 0.00 34.13 32.45 1wf6 s GLU 20 CO 0.00 -1.63 2.51 -0.35 -0.54 0.00 0.00 175.26 175.25 1wf6 n PRO 21 N -2.30 2.70 -4.20 4.30 -0.04 -1.26 -4.60 135.00 129.60 1wf6 n PRO 21 Ca 0.14 -1.70 -0.27 0.00 -0.04 0.00 0.00 63.50 61.62 1wf6 n PRO 21 Cb 0.50 -2.55 -0.08 0.00 -0.04 0.00 0.00 33.50 31.33 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 2.77 3.68 0.16 0.52 -4.23 -1.26 -4.70 115.64 112.59 1wf6 s THR 22 Ca 0.52 -1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 59.46 1wf6 s THR 22 Cb 0.14 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 71.23 1wf6 s THR 22 CO -0.04 -0.05 1.63 0.25 -0.54 0.00 0.00 174.62 175.86 1wf6 h LEU 23 N 2.93 -0.78 -1.89 4.79 7.12 -1.94 1.00 115.31 126.53 1wf6 h LEU 23 Ca -0.47 0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.69 1wf6 h LEU 23 Cb 1.19 0.39 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 1wf6 h LEU 23 CO 0.57 -0.26 0.18 -0.33 -0.13 0.00 0.00 178.44 178.47 1wf6 h GLU 24 N -0.20 0.00 -1.59 1.25 3.07 -1.95 -0.54 114.58 114.63 1wf6 h GLU 24 Ca 0.17 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.49 1wf6 h GLU 24 Cb 0.46 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.96 1wf6 h GLU 24 CO -0.45 0.00 -0.82 0.09 -1.40 0.00 0.00 179.01 176.42 1wf6 n ASN 25 N -2.64 3.89 0.07 1.42 3.02 0.34 -4.79 115.26 116.58 1wf6 n ASN 25 Ca -0.02 -3.50 -0.22 0.00 -0.03 0.00 0.00 54.58 50.81 1wf6 n ASN 25 Cb 0.23 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.75 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 2.75 0.58 -0.66 3.41 6.46 -0.16 -3.22 115.31 124.47 1wf6 h LEU 26 Ca 0.19 -0.92 -0.12 0.00 -0.12 0.00 0.00 57.88 56.91 1wf6 h LEU 26 Cb 0.90 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1wf6 h LEU 26 CO 0.76 1.62 -0.23 -0.33 -0.62 0.00 0.00 178.44 179.65 1wf6 h GLU 27 N -0.12 0.80 -1.51 1.25 5.08 -1.86 -2.87 114.58 115.35 1wf6 h GLU 27 Ca -0.26 -0.33 -0.58 0.00 -1.00 0.00 0.00 59.36 57.19 1wf6 h GLU 27 Cb 1.91 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.89 1wf6 h GLU 27 CO 0.17 0.95 0.73 0.09 -1.00 0.00 0.00 179.01 179.95 1wf6 n ASN 28 N -4.11 7.18 -4.83 1.42 3.02 -1.25 -4.93 115.26 111.76 1wf6 n ASN 28 Ca 0.00 -3.53 -0.22 0.00 -0.03 0.00 0.00 54.58 50.80 1wf6 n ASN 28 Cb 0.44 -1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 38.51 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 -3.13 3.77 -0.60 3.41 2.96 -1.08 -0.01 118.68 124.01 1wf6 s LEU 29 Ca 0.53 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1wf6 s LEU 29 Cb 0.41 -2.32 0.17 0.00 0.50 0.00 0.00 46.19 44.95 1wf6 s LEU 29 CO -0.13 -0.09 0.43 -0.62 -1.32 0.00 0.00 176.35 174.61 1wf6 s ASP 30 N -3.87 3.67 0.63 3.68 2.15 -1.26 -4.92 116.67 116.75 1wf6 s ASP 30 Ca 0.34 -3.54 0.31 0.00 0.43 0.00 0.00 52.55 50.10 1wf6 s ASP 30 Cb -0.07 -1.22 1.70 0.00 -0.30 0.00 0.00 42.92 43.02 1wf6 s ASP 30 CO 0.25 -0.12 2.01 1.62 -0.17 0.00 0.00 175.17 178.76 1wf6 h VAL 31 N 4.52 0.19 -0.00 1.11 3.04 -1.96 1.45 116.25 124.60 1wf6 h VAL 31 Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1wf6 h VAL 31 Cb 0.81 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1wf6 h VAL 31 CO 0.59 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 176.91 1wf6 n SER 32 N -3.30 0.00 -0.05 3.17 2.88 -1.26 -3.17 113.62 111.90 1wf6 n SER 32 Ca 0.01 -1.23 -0.22 0.00 -1.33 0.00 0.00 58.87 56.10 1wf6 n SER 32 Cb 0.39 -0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.72 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wf6 n ALA 33 N -0.88 0.97 -1.62 -1.46 0.00 0.50 -4.92 120.51 113.09 1wf6 n ALA 33 Ca 0.18 -0.68 -0.51 0.00 0.00 0.00 0.00 53.44 52.43 1wf6 n ALA 33 Cb 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 1wf6 n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wf6 n PHE 34 N -3.71 1.76 1.14 0.00 3.72 -1.19 -4.85 117.46 114.33 1wf6 n PHE 34 Ca -0.36 0.53 0.12 0.00 -0.05 0.00 0.00 57.45 57.69 1wf6 n PHE 34 Cb 0.95 -2.40 0.20 0.00 -0.94 0.00 0.00 39.48 37.29 1wf6 n PHE 34 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1wf6 n GLN 35 N 3.20 1.53 -0.91 -1.08 7.27 -1.26 -4.98 117.38 121.16 1wf6 n GLN 35 Ca 0.19 -1.15 -0.36 0.00 0.07 0.00 0.00 57.00 55.75 1wf6 n GLN 35 Cb 0.21 -1.48 0.07 0.00 2.41 0.00 0.00 30.24 31.45 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wf6 n ALA 36 N 0.27 -5.14 -1.56 1.69 0.00 -1.24 -4.92 120.51 109.62 1wf6 n ALA 36 Ca 0.13 -1.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.09 1wf6 n ALA 36 Cb 0.46 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.46 2.10 0.00 0.00 0.04 -1.26 -4.94 135.00 128.47 1wf6 s PRO 37 Ca 0.43 0.64 0.21 0.00 0.04 0.00 0.00 61.00 62.32 1wf6 s PRO 37 Cb -0.02 -1.92 1.05 0.00 0.04 0.00 0.00 34.50 33.65 1wf6 s PRO 37 CO 0.69 -1.61 1.70 0.39 0.04 0.00 0.00 177.00 178.21 1wf6 n GLU 38 N -3.43 1.29 -0.25 4.56 -0.58 -1.26 -3.01 120.64 117.97 1wf6 n GLU 38 Ca 0.07 -0.43 0.04 0.00 -0.42 0.00 0.00 57.16 56.42 1wf6 n GLU 38 Cb 0.56 -1.35 0.06 0.00 -0.57 0.00 0.00 31.44 30.14 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 -0.37 1.14 -0.31 1.62 8.00 -1.08 -2.57 116.55 122.98 1wf6 n ASP 39 Ca 0.16 -2.39 -0.10 0.00 0.71 0.00 0.00 54.79 53.17 1wf6 n ASP 39 Cb 0.18 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.00 -1.75 -4.08 0.64 5.85 0.53 0.64 115.31 117.14 1wf6 h LEU 40 Ca 0.00 0.26 -0.58 0.00 0.84 0.00 0.00 57.88 58.40 1wf6 h LEU 40 Cb 1.14 0.76 -0.23 0.00 0.37 0.00 0.00 40.66 42.70 1wf6 h LEU 40 CO 0.00 -0.22 0.74 0.18 -0.34 0.00 0.00 178.44 178.80 1wf6 n LEU 41 N -4.87 7.23 -4.63 2.25 4.77 0.49 -4.88 117.00 117.37 1wf6 n LEU 41 Ca 0.01 -4.10 -0.48 0.00 -0.03 0.00 0.00 56.01 51.41 1wf6 n LEU 41 Cb 0.23 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.23 1wf6 n LEU 41 CO -0.11 1.48 0.98 -0.67 -1.33 0.00 0.00 177.39 177.75 1wf6 n ASP 42 N -0.33 2.23 -4.19 -1.43 2.03 0.22 -0.69 116.55 114.40 1wf6 n ASP 42 Ca 0.51 1.12 -0.34 0.00 0.52 0.00 0.00 54.79 56.60 1wf6 n ASP 42 Cb 0.56 -1.31 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 1wf6 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf6 n GLY 43 N 2.65 -0.37 3.05 0.27 0.00 -1.26 -4.92 105.19 104.61 1wf6 n GLY 43 Ca 0.16 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 1.06 3.39 0.08 0.00 0.52 -1.26 -0.96 118.95 121.78 1wf6 s ARG 45 Ca -0.03 -0.14 0.07 0.00 -0.52 0.00 0.00 55.73 55.12 1wf6 s ARG 45 Cb -0.20 -3.94 -0.04 0.00 0.52 0.00 0.00 34.95 31.30 1wf6 s ARG 45 CO -0.06 -1.10 -0.14 0.42 0.02 0.00 0.00 175.30 174.44 1wf6 s ILE 46 N 3.23 3.13 -0.28 1.52 1.01 -0.71 0.16 121.20 129.26 1wf6 s ILE 46 Ca 0.29 -1.23 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1wf6 s ILE 46 Cb -0.12 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1wf6 s ILE 46 CO 0.22 0.21 0.09 -0.47 0.00 0.00 0.00 174.94 174.99 1wf6 s TYR 47 N -1.09 3.12 -0.34 3.97 6.14 0.22 -0.93 117.35 128.45 1wf6 s TYR 47 Ca 0.18 -0.65 -0.26 0.00 0.64 0.00 0.00 57.07 56.98 1wf6 s TYR 47 Cb -0.11 -2.27 0.01 0.00 0.42 0.00 0.00 41.96 40.01 1wf6 s TYR 47 CO 0.10 -0.46 0.94 -0.51 0.64 0.00 0.00 175.55 176.26 1wf6 s LEU 48 N 1.58 4.00 0.34 6.97 1.43 -1.26 -1.47 118.68 130.26 1wf6 s LEU 48 Ca 0.05 0.74 0.09 0.00 -1.03 0.00 0.00 54.13 53.97 1wf6 s LEU 48 Cb -0.16 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1wf6 s LEU 48 CO 0.04 -0.81 -0.08 0.00 0.23 0.00 0.00 176.35 175.72 1wf6 n GLY 50 N -0.77 -0.41 2.97 0.00 0.00 -1.26 -3.49 105.19 102.23 1wf6 n GLY 50 Ca -0.05 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1wf6 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wf6 s PHE 51 N -3.98 -0.23 -0.08 1.61 0.08 -1.26 -3.56 117.98 110.56 1wf6 s PHE 51 Ca 0.21 0.60 -0.27 0.00 0.12 0.00 0.00 56.93 57.60 1wf6 s PHE 51 Cb -0.12 -0.04 0.06 0.00 -0.57 0.00 0.00 43.02 42.35 1wf6 s PHE 51 CO 0.90 -0.20 0.61 -1.54 -0.10 0.00 0.00 175.22 174.89 1wf6 s SER 52 N 1.25 -0.58 0.69 1.36 1.04 -1.26 -4.71 113.70 111.48 1wf6 s SER 52 Ca -0.09 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1wf6 s SER 52 Cb -0.11 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1wf6 s SER 52 CO -0.07 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1wf6 n GLY 53 N 1.32 0.33 0.08 7.32 0.00 -1.26 -3.77 105.19 109.21 1wf6 n GLY 53 Ca -0.18 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 0.13 -0.88 1.61 3.08 -1.97 0.40 114.38 116.75 1wf6 h ARG 54 Ca 0.00 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.14 1wf6 h ARG 54 Cb 0.00 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 29.89 1wf6 h ARG 54 CO 0.00 0.46 -0.37 0.87 -1.07 0.00 0.00 179.97 179.86 1wf6 h LYS 55 N -0.20 -0.05 0.44 0.04 1.57 -1.84 0.81 116.57 117.33 1wf6 h LYS 55 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1wf6 h LYS 55 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1wf6 h LYS 55 CO 0.01 -0.03 -0.21 1.25 -0.57 0.00 0.00 179.45 179.90 1wf6 h LEU 56 N -0.05 -0.50 -1.17 2.94 5.85 -1.68 -2.53 115.31 118.17 1wf6 h LEU 56 Ca 0.32 -0.10 0.44 0.00 0.84 0.00 0.00 57.88 59.38 1wf6 h LEU 56 Cb 0.59 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.59 1wf6 h LEU 56 CO -0.90 -0.11 0.70 -0.67 -0.34 0.00 0.00 178.44 177.11 1wf6 n ASP 57 N -5.21 0.28 0.00 1.25 2.03 0.12 0.22 116.55 115.25 1wf6 n ASP 57 Ca -0.10 1.51 0.00 0.00 0.52 0.00 0.00 54.79 56.72 1wf6 n ASP 57 Cb 0.29 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wf6 n LYS 58 N -4.97 0.00 -0.37 -0.67 4.76 0.27 -1.73 118.16 115.43 1wf6 n LYS 58 Ca 0.39 0.37 0.34 0.00 -2.87 0.00 0.00 58.31 56.54 1wf6 n LYS 58 Cb 1.41 -1.22 0.60 0.00 -1.84 0.00 0.00 35.03 33.99 1wf6 n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1wf6 n LEU 59 N -1.61 0.27 0.10 -0.35 4.32 -0.08 0.19 117.00 119.85 1wf6 n LEU 59 Ca 0.00 1.47 -0.13 0.00 -0.02 0.00 0.00 56.01 57.33 1wf6 n LEU 59 Cb 0.00 -0.72 -0.07 0.00 -1.62 0.00 0.00 43.42 41.02 1wf6 n LEU 59 CO 0.00 -1.62 0.80 0.03 -1.22 0.00 0.00 177.39 175.38 1wf6 h ARG 60 N 0.00 -0.22 0.00 3.23 3.08 -0.15 0.57 114.38 120.89 1wf6 h ARG 60 Ca 0.83 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.82 1wf6 h ARG 60 Cb 2.41 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.50 1wf6 h ARG 60 CO -0.60 -0.15 -0.33 0.00 -1.07 0.00 0.00 179.97 177.83 1wf6 h ARG 61 N -0.23 0.00 0.00 0.04 3.08 0.29 -2.41 114.38 115.16 1wf6 h ARG 61 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wf6 h ARG 61 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1wf6 h ARG 61 CO -0.01 0.33 0.00 1.28 -1.07 0.00 0.00 179.97 180.50 1wf6 n LEU 62 N -3.87 0.23 -0.35 3.04 4.32 0.11 -0.15 117.00 120.32 1wf6 n LEU 62 Ca -0.01 0.64 -0.03 0.00 -0.02 0.00 0.00 56.01 56.59 1wf6 n LEU 62 Cb 0.40 -0.44 0.01 0.00 -1.62 0.00 0.00 43.42 41.77 1wf6 n LEU 62 CO 0.37 -0.44 0.50 -0.38 -1.22 0.00 0.00 177.39 176.22 1wf6 n ILE 63 N -1.81 -0.50 -0.17 -0.08 5.41 0.19 0.20 119.36 122.60 1wf6 n ILE 63 Ca 0.00 2.10 -0.06 0.00 1.00 0.00 0.00 62.75 65.79 1wf6 n ILE 63 Cb 0.00 -2.73 0.03 0.00 -0.71 0.00 0.00 39.64 36.23 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 0.54 0.03 4.38 -1.24 -1.54 0.65 115.58 118.40 1wf6 h ASN 64 Ca 0.27 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1wf6 h ASN 64 Cb 0.49 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 1wf6 h ASN 64 CO -0.87 0.39 -0.02 -1.28 -1.29 0.00 0.00 177.43 174.35 1wf6 h SER 65 N 0.65 0.00 0.32 1.15 0.87 0.56 0.11 113.55 117.22 1wf6 h SER 65 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1wf6 h SER 65 Cb -0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1wf6 h SER 65 CO -0.06 0.02 -0.43 0.61 -0.53 0.00 0.00 176.83 176.44 1wf6 n GLY 66 N -1.45 -0.89 1.40 5.77 0.00 0.50 -4.06 105.19 106.46 1wf6 n GLY 66 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.43 2.20 3.44 -0.02 0.00 0.14 0.84 105.19 113.21 1wf6 n GLY 67 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.84 3.29 -0.02 0.00 0.18 -4.50 105.19 100.30 1wf6 n GLY 68 Ca 0.00 -0.75 -0.37 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 -2.42 3.64 -0.65 1.61 1.01 -0.13 -3.99 120.40 119.46 1wf6 s VAL 69 Ca 0.58 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 1wf6 s VAL 69 Cb -0.21 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1wf6 s VAL 69 CO 0.66 0.04 1.35 -0.60 0.00 0.00 0.00 175.10 176.55 1wf6 s ARG 70 N 1.43 3.23 -0.06 2.72 3.52 -1.26 -1.73 118.95 126.79 1wf6 s ARG 70 Ca 0.01 0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 1wf6 s ARG 70 Cb -0.18 -4.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.03 1wf6 s ARG 70 CO 0.01 -2.06 1.19 -0.06 -0.81 0.00 0.00 175.30 173.57 1wf6 s PHE 71 N 5.97 3.20 -0.68 5.12 0.40 -0.10 -4.89 117.98 127.00 1wf6 s PHE 71 Ca 0.44 1.23 0.25 0.00 -0.60 0.00 0.00 56.93 58.25 1wf6 s PHE 71 Cb -0.09 -3.41 0.87 0.00 0.51 0.00 0.00 43.02 40.90 1wf6 s PHE 71 CO 0.20 -1.26 1.76 0.27 0.70 0.00 0.00 175.22 176.90 1wf6 n ASN 72 N 5.22 0.73 -4.34 1.36 6.94 -1.26 -4.12 115.26 119.79 1wf6 n ASN 72 Ca 0.11 0.60 -0.20 0.00 -0.02 0.00 0.00 54.58 55.07 1wf6 n ASN 72 Cb 0.46 -0.78 -0.10 0.00 -2.36 0.00 0.00 39.78 37.00 1wf6 n ASN 72 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1wf6 s GLN 73 N -3.15 1.57 0.32 -3.83 -0.21 -1.26 -5.04 119.66 108.06 1wf6 s GLN 73 Ca 0.09 -1.87 0.08 0.00 0.02 0.00 0.00 55.36 53.68 1wf6 s GLN 73 Cb 0.12 -0.54 -0.04 0.00 1.00 0.00 0.00 33.01 33.55 1wf6 s GLN 73 CO 0.54 -0.28 0.18 -1.17 -2.12 0.00 0.00 175.29 172.44 1wf6 s LEU 74 N -3.42 3.40 0.00 2.90 0.20 -1.26 -4.87 118.68 115.62 1wf6 s LEU 74 Ca 0.36 -0.64 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1wf6 s LEU 74 Cb 0.08 -1.92 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 1wf6 s LEU 74 CO 0.15 -0.26 0.00 -0.46 -0.29 0.00 0.00 176.35 175.48 1wf6 n ASN 75 N -1.19 0.00 0.19 3.68 0.23 -1.26 -4.94 115.26 111.97 1wf6 n ASN 75 Ca -0.03 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.16 1wf6 n ASN 75 Cb 0.60 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.92 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 0.00 -0.17 -3.83 5.08 -1.94 -2.56 114.58 111.15 1wf6 h GLU 76 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1wf6 h GLU 76 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wf6 h GLU 76 CO 0.00 0.00 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.39 1wf6 h ASP 77 N 0.00 0.46 -1.82 1.42 5.19 -1.98 -3.45 116.42 116.25 1wf6 h ASP 77 Ca 0.00 -0.48 -0.63 0.00 -0.62 0.00 0.00 57.03 55.30 1wf6 h ASP 77 Cb 0.32 -0.13 0.13 0.00 0.18 0.00 0.00 39.33 39.83 1wf6 h ASP 77 CO 0.00 0.85 -0.44 0.52 -3.12 0.00 0.00 179.24 177.05 1wf6 n VAL 78 N -4.49 1.69 0.07 -1.35 0.31 -0.97 -4.79 118.33 108.80 1wf6 n VAL 78 Ca -0.06 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.81 1wf6 n VAL 78 Cb 0.39 -0.35 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.41 0.00 -3.46 2.52 -2.24 0.42 -4.86 114.28 106.24 1wf6 n THR 79 Ca 0.13 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1wf6 n THR 79 Cb 0.34 0.51 -0.03 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 -2.26 -0.54 -0.33 4.78 3.76 -1.13 -3.38 115.29 116.19 1wf6 s HIS 80 Ca -0.01 0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 55.38 1wf6 s HIS 80 Cb 0.04 0.50 0.11 0.00 1.11 0.00 0.00 32.58 34.34 1wf6 s HIS 80 CO 0.28 -0.78 0.15 0.08 -0.85 0.00 0.00 174.74 173.62 1wf6 s VAL 81 N -3.10 0.51 -0.41 -0.90 1.01 0.52 0.70 120.40 118.72 1wf6 s VAL 81 Ca -0.02 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 1wf6 s VAL 81 Cb -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1wf6 s VAL 81 CO -0.07 -0.78 1.41 -0.63 0.00 0.00 0.00 175.10 175.03 1wf6 s ILE 82 N 1.52 3.90 -0.11 2.22 -1.09 -0.54 -1.98 121.20 125.11 1wf6 s ILE 82 Ca 0.12 0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 59.38 1wf6 s ILE 82 Cb -0.19 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1wf6 s ILE 82 CO -0.21 -0.76 0.16 -0.69 -1.23 0.00 0.00 174.94 172.20 1wf6 s VAL 83 N 5.45 5.47 -0.01 2.92 1.01 0.21 -1.69 120.40 133.76 1wf6 s VAL 83 Ca 0.61 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1wf6 s VAL 83 Cb -0.14 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 1wf6 s VAL 83 CO 0.33 0.61 0.09 0.61 0.00 0.00 0.00 175.10 176.74 1wf6 n GLY 84 N 1.99 -0.22 1.29 4.51 0.00 -1.23 -3.64 105.19 107.90 1wf6 n GLY 84 Ca -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.73 0.27 0.00 1.61 8.00 -1.25 -5.03 116.55 118.42 1wf6 n ASP 85 Ca -0.02 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1wf6 n ASP 85 Cb 0.19 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1wf6 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wf6 n TYR 86 N -3.09 0.00 -0.95 1.24 0.18 -1.26 -4.88 117.16 108.40 1wf6 n TYR 86 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1wf6 n TYR 86 Cb 0.23 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.19 1wf6 n TYR 86 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1wf6 n ASP 87 N 0.00 -1.81 -0.05 9.48 -0.08 -1.26 -4.96 116.55 117.87 1wf6 n ASP 87 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1wf6 n ASP 87 Cb 0.00 -0.90 -0.14 0.00 2.34 0.00 0.00 41.12 42.41 1wf6 n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wf6 n ASP 88 N 0.00 1.16 -0.16 1.67 8.00 -1.26 -4.26 116.55 121.71 1wf6 n ASP 88 Ca 0.00 0.17 -0.05 0.00 0.71 0.00 0.00 54.79 55.62 1wf6 n ASP 88 Cb 0.00 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.02 0.49 -0.97 -1.24 4.57 -2.01 -2.26 114.58 113.18 1wf6 h GLU 89 Ca -0.43 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 57.90 1wf6 h GLU 89 Cb 2.06 -0.11 -0.18 0.00 -0.16 0.00 0.00 28.75 30.35 1wf6 h GLU 89 CO 0.04 0.33 -0.26 1.25 -1.18 0.00 0.00 179.01 179.18 1wf6 h LEU 90 N 0.51 -0.98 -0.73 1.64 6.46 -1.94 1.53 115.31 121.80 1wf6 h LEU 90 Ca 0.20 0.29 0.16 0.00 -0.12 0.00 0.00 57.88 58.42 1wf6 h LEU 90 Cb 0.08 0.62 -0.12 0.00 -0.73 0.00 0.00 40.66 40.52 1wf6 h LEU 90 CO -0.13 -0.32 0.10 0.11 -0.62 0.00 0.00 178.44 177.59 1wf6 h LYS 91 N -0.00 0.18 -0.07 1.25 1.57 -1.62 0.15 116.57 118.03 1wf6 h LYS 91 Ca 0.45 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.24 1wf6 h LYS 91 Cb 0.70 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1wf6 h LYS 91 CO -1.00 0.12 -0.04 1.96 -0.57 0.00 0.00 179.45 179.92 1wf6 h GLN 92 N 0.19 -0.04 -0.89 3.15 1.08 0.21 -1.84 115.11 116.96 1wf6 h GLN 92 Ca 0.41 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.73 1wf6 h GLN 92 Cb 0.72 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.09 1wf6 h GLN 92 CO -0.57 -0.03 0.58 0.35 -0.95 0.00 0.00 178.83 178.21 1wf6 h PHE 93 N -0.04 0.91 0.00 2.96 3.57 0.35 0.75 116.94 125.43 1wf6 h PHE 93 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1wf6 h PHE 93 Cb 0.11 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1wf6 h PHE 93 CO -0.15 0.38 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.78 1wf6 h TRP 94 N 0.81 0.00 -0.70 0.41 6.55 -0.04 0.38 115.95 123.36 1wf6 h TRP 94 Ca 0.43 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.27 1wf6 h TRP 94 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.85 1wf6 h TRP 94 CO -0.00 0.04 0.00 -1.71 -1.05 0.00 0.00 178.44 175.72 1wf6 n ASN 95 N -3.39 4.24 0.00 -3.49 5.15 0.25 -4.67 115.26 113.35 1wf6 n ASN 95 Ca -0.02 -2.17 0.00 0.00 -0.60 0.00 0.00 54.58 51.79 1wf6 n ASN 95 Cb 0.17 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 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 1.45 0.00 -3.15 1.20 5.02 0.13 -5.06 118.16 117.76 1wf6 n LYS 96 Ca 0.25 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.27 1wf6 n LYS 96 Cb 0.72 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.71 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 0.52 6.36 -0.59 4.39 0.01 -0.73 -5.04 113.70 118.62 1wf6 s SER 97 Ca 0.00 0.71 -0.17 0.00 1.31 0.00 0.00 55.95 57.80 1wf6 s SER 97 Cb 0.00 -2.14 0.13 0.00 0.21 0.00 0.00 66.02 64.21 1wf6 s SER 97 CO 0.00 -0.33 0.60 0.00 0.41 0.00 0.00 173.24 173.92 1wf6 s ALA 98 N -2.34 3.60 0.04 1.44 0.00 -1.26 -4.55 121.76 118.69 1wf6 s ALA 98 Ca 0.44 -2.51 -0.27 0.00 0.00 0.00 0.00 51.96 49.62 1wf6 s ALA 98 Cb -0.10 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.71 1wf6 s ALA 98 CO 0.36 -2.17 0.74 -1.58 0.00 0.00 0.00 175.76 173.11 1wf6 s HIS 99 N 1.86 -0.48 -0.49 0.00 5.04 -1.26 -4.98 115.29 114.98 1wf6 s HIS 99 Ca 0.08 0.46 0.04 0.00 -1.54 0.00 0.00 55.06 54.09 1wf6 s HIS 99 Cb -0.26 0.52 0.13 0.00 0.04 0.00 0.00 32.58 33.01 1wf6 s HIS 99 CO 0.03 -0.67 0.24 1.03 -2.34 0.00 0.00 174.74 173.03 1wf6 s ARG 100 N -2.87 1.79 0.71 2.88 1.81 -1.26 -4.96 118.95 117.06 1wf6 s ARG 100 Ca -0.00 -2.44 -0.11 0.00 -1.72 0.00 0.00 55.73 51.46 1wf6 s ARG 100 Cb -0.01 -3.09 0.02 0.00 -0.45 0.00 0.00 34.95 31.42 1wf6 s ARG 100 CO -0.06 -1.11 1.06 -1.25 -0.68 0.00 0.00 175.30 173.26 1wf6 s PRO 101 N -0.07 2.83 -0.67 3.54 0.04 -1.26 -4.97 135.00 134.44 1wf6 s PRO 101 Ca 0.17 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 61.86 1wf6 s PRO 101 Cb -0.25 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1wf6 s PRO 101 CO -0.01 -1.17 1.19 -1.01 0.04 0.00 0.00 177.00 176.05 1wf6 s HIS 102 N -3.06 2.46 -0.65 0.56 3.76 -1.22 -4.84 115.29 112.31 1wf6 s HIS 102 Ca 0.58 0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 55.33 1wf6 s HIS 102 Cb -0.14 -4.52 0.09 0.00 1.11 0.00 0.00 32.58 29.13 1wf6 s HIS 102 CO 0.55 -1.83 0.84 0.08 -0.85 0.00 0.00 174.74 173.53 1wf6 s VAL 103 N 5.19 4.63 0.38 -0.90 1.01 -1.26 0.20 120.40 129.64 1wf6 s VAL 103 Ca 0.36 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1wf6 s VAL 103 Cb -0.09 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1wf6 s VAL 103 CO 0.18 -1.29 0.11 0.68 0.00 0.00 0.00 175.10 174.78 1wf6 s VAL 104 N 3.20 0.76 0.06 2.92 -7.23 -0.84 -0.75 120.40 118.52 1wf6 s VAL 104 Ca 0.17 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1wf6 s VAL 104 Cb -0.20 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1wf6 s VAL 104 CO 0.06 0.00 0.24 -0.83 -0.31 0.00 0.00 175.10 174.27 1wf6 s GLY 105 N -3.56 2.20 0.43 2.32 0.00 -1.07 0.64 107.32 108.28 1wf6 s GLY 105 Ca 0.28 -0.75 0.29 0.00 0.00 0.00 0.00 44.72 44.53 1wf6 s GLY 105 CO 0.15 -0.70 1.62 0.00 0.00 0.00 0.00 173.10 174.17 1wf6 h ALA 106 N 3.20 2.66 -0.87 3.20 0.00 -1.88 0.41 119.26 125.98 1wf6 h ALA 106 Ca -0.46 0.13 0.17 0.00 0.00 0.00 0.00 54.91 54.75 1wf6 h ALA 106 Cb 1.17 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 1wf6 h ALA 106 CO 0.74 -1.30 -0.23 1.17 0.00 0.00 0.00 179.25 179.63 1wf6 n LYS 107 N -4.74 -0.09 0.22 0.00 4.81 -1.26 0.37 118.16 117.47 1wf6 n LYS 107 Ca 0.37 1.36 -0.11 0.00 -0.87 0.00 0.00 58.31 59.05 1wf6 n LYS 107 Cb 1.40 -2.02 -0.06 0.00 0.02 0.00 0.00 35.03 34.37 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 -0.80 -1.00 5.64 7.01 -0.52 -0.06 115.95 126.22 1wf6 h TRP 108 Ca 0.41 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.63 1wf6 h TRP 108 Cb 0.62 0.30 -0.19 0.00 -2.10 0.00 0.00 29.16 27.79 1wf6 h TRP 108 CO -0.68 -0.42 -0.17 1.25 -2.79 0.00 0.00 178.44 175.64 1wf6 h LEU 109 N -0.66 -0.80 0.21 0.65 6.46 -0.18 0.47 115.31 121.46 1wf6 h LEU 109 Ca -0.05 0.30 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1wf6 h LEU 109 Cb 0.55 0.58 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 1wf6 h LEU 109 CO 0.02 -0.34 -0.39 -0.07 -0.62 0.00 0.00 178.44 177.04 1wf6 h LEU 110 N 0.00 -1.13 -0.64 2.25 3.38 0.52 -2.06 115.31 117.64 1wf6 h LEU 110 Ca 0.52 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.73 1wf6 h LEU 110 Cb 0.89 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.93 1wf6 h LEU 110 CO -1.00 -0.45 -0.02 -0.33 0.09 0.00 0.00 178.44 176.73 1wf6 h GLU 111 N -0.64 0.09 -0.94 1.13 4.39 0.15 0.25 114.58 119.01 1wf6 h GLU 111 Ca -0.02 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.78 1wf6 h GLU 111 Cb 0.60 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.10 1wf6 h GLU 111 CO -0.15 0.06 -0.51 0.00 -1.16 0.00 0.00 179.01 177.26 1wf6 h PHE 113 N -0.04 -0.80 -0.95 0.00 0.04 -0.46 0.86 116.94 115.59 1wf6 h PHE 113 Ca 0.22 -0.02 0.24 0.00 2.80 0.00 0.00 57.97 61.22 1wf6 h PHE 113 Cb 0.49 0.27 -0.13 0.00 2.20 0.00 0.00 35.95 38.78 1wf6 h PHE 113 CO -0.94 -0.47 0.48 1.03 -0.60 0.00 0.00 178.31 177.82 1wf6 h SER 114 N -1.14 0.46 1.47 2.17 0.87 0.50 1.38 113.55 119.27 1wf6 h SER 114 Ca -0.09 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1wf6 h SER 114 Cb 0.70 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1wf6 h SER 114 CO 0.15 0.01 -0.43 0.11 -0.53 0.00 0.00 176.83 176.13 1wf6 h LYS 115 N 0.44 0.00 0.00 2.24 1.79 0.63 -3.46 116.57 118.22 1wf6 h LYS 115 Ca 0.62 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 1wf6 h LYS 115 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1wf6 h LYS 115 CO -0.53 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 178.68 1wf6 n GLY 116 N 1.09 2.55 3.26 3.86 0.00 0.47 -4.98 105.19 111.45 1wf6 n GLY 116 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.20 1.30 0.38 1.61 1.13 0.12 -4.26 117.35 115.42 1wf6 s TYR 117 Ca 0.00 -0.90 -0.25 0.00 -1.41 0.00 0.00 57.07 54.52 1wf6 s TYR 117 Cb 0.00 -0.72 -0.09 0.00 -1.10 0.00 0.00 41.96 40.04 1wf6 s TYR 117 CO 0.00 -0.06 1.02 -1.64 -2.51 0.00 0.00 175.55 172.35 1wf6 s MET 118 N -3.84 4.30 0.53 -3.49 -1.94 -1.26 -4.02 119.30 109.58 1wf6 s MET 118 Ca 0.22 1.45 0.02 0.00 -1.71 0.00 0.00 55.69 55.66 1wf6 s MET 118 Cb 0.05 -2.61 0.02 0.00 2.01 0.00 0.00 34.83 34.29 1wf6 s MET 118 CO 0.03 -0.01 0.14 1.28 -0.01 0.00 0.00 175.02 176.46 1wf6 n LEU 119 N 0.11 0.00 -4.77 -0.03 4.32 -1.26 -5.02 117.00 110.35 1wf6 n LEU 119 Ca 0.04 -3.13 -0.38 0.00 -0.02 0.00 0.00 56.01 52.52 1wf6 n LEU 119 Cb 0.50 0.22 -0.01 0.00 -1.62 0.00 0.00 43.42 42.51 1wf6 n LEU 119 CO 0.45 -0.50 0.88 -0.44 -1.22 0.00 0.00 177.39 176.55 1wf6 s SER 120 N -3.99 6.26 0.00 -1.43 0.01 -1.26 -4.93 113.70 108.36 1wf6 s SER 120 Ca 0.11 2.44 0.23 0.00 1.31 0.00 0.00 55.95 60.04 1wf6 s SER 120 Cb -0.01 -2.62 0.21 0.00 0.21 0.00 0.00 66.02 63.81 1wf6 s SER 120 CO 0.07 -0.87 1.21 -0.62 0.41 0.00 0.00 173.24 173.44 1wf6 n GLU 121 N -0.17 0.19 -0.04 12.44 1.02 -1.26 -4.13 120.64 128.69 1wf6 n GLU 121 Ca 0.06 -0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 56.91 1wf6 n GLU 121 Cb 0.46 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.33 0.46 0.00 3.49 5.08 -1.97 -2.41 114.58 119.57 1wf6 h GLU 122 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1wf6 h GLU 122 Cb 0.52 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wf6 h GLU 122 CO 0.00 0.98 0.00 -0.35 -1.00 0.00 0.00 179.01 178.64 1wf6 n PRO 123 N -4.32 0.75 -1.81 2.33 -0.04 -1.26 -2.73 135.00 127.91 1wf6 n PRO 123 Ca -0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1wf6 n PRO 123 Cb 0.54 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.99 0.78 -2.28 0.54 4.01 -1.12 -5.09 117.16 113.02 1wf6 n TYR 124 Ca 0.17 -1.42 -0.33 0.00 -0.16 0.00 0.00 57.90 56.16 1wf6 n TYR 124 Cb 0.08 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.40 3.99 -0.36 -0.72 -1.09 -0.92 -2.61 121.20 117.09 1wf6 s ILE 125 Ca 0.35 1.03 -0.05 0.00 -2.23 0.00 0.00 60.65 59.76 1wf6 s ILE 125 Cb 0.37 -3.48 0.07 0.00 -1.58 0.00 0.00 42.46 37.83 1wf6 s ILE 125 CO -0.08 -0.47 0.13 -2.28 -1.23 0.00 0.00 174.94 171.00 1wf6 s HIS 126 N -2.36 3.37 0.17 3.97 2.46 0.07 -4.75 115.29 118.21 1wf6 s HIS 126 Ca 0.63 -1.85 0.10 0.00 0.47 0.00 0.00 55.06 54.41 1wf6 s HIS 126 Cb -0.14 -2.62 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 1wf6 s HIS 126 CO 0.30 -0.84 -0.22 0.45 -2.47 0.00 0.00 174.74 171.96 1wf6 s SER 127 N 1.61 3.07 0.01 9.88 0.15 -1.26 -4.93 113.70 122.22 1wf6 s SER 127 Ca 0.01 -0.84 -0.13 0.00 0.70 0.00 0.00 55.95 55.70 1wf6 s SER 127 Cb -0.21 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.84 1wf6 s SER 127 CO -0.00 0.07 0.38 -0.83 1.20 0.00 0.00 173.24 174.05 1wf6 s GLY 128 N -2.54 2.41 0.62 9.45 0.00 -1.26 -4.99 107.32 111.01 1wf6 s GLY 128 Ca 0.17 -0.31 -0.14 0.00 0.00 0.00 0.00 44.72 44.44 1wf6 s GLY 128 CO 0.08 0.01 1.05 2.56 0.00 0.00 0.00 173.10 176.80 1wf6 s PRO 129 N -1.29 3.24 0.00 2.90 0.04 -1.26 -4.69 135.00 133.94 1wf6 s PRO 129 Ca 0.25 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1wf6 s PRO 129 Cb -0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wf6 s PRO 129 CO 0.14 -0.87 0.00 -1.13 0.04 0.00 0.00 177.00 175.18 1wf6 n SER 130 N -2.38 0.00 -3.26 6.66 3.41 -1.26 -4.31 113.62 112.47 1wf6 n SER 130 Ca 0.08 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.72 1wf6 n SER 130 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1wf6 n SER 130 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wf6 s SER 131 N 0.00 -0.50 0.00 4.04 0.01 -1.26 -5.16 113.70 110.83 1wf6 s SER 131 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1wf6 s SER 131 Cb 0.00 1.50 0.00 0.00 0.21 0.00 0.00 66.02 67.73 1wf6 s SER 131 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17