#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf6 s SER 2 N 0.00 -0.47 0.58 1.61 0.01 -1.26 -5.17 113.70 109.00 1wf6 s SER 2 Ca 0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1wf6 s SER 2 Cb 0.00 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.26 1wf6 s SER 2 CO 0.00 -0.21 0.00 -1.20 0.41 0.00 0.00 173.24 172.24 1wf6 n SER 3 N 4.65 -0.13 0.00 2.44 7.64 -1.26 -5.11 113.62 121.85 1wf6 n SER 3 Ca -0.18 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1wf6 n SER 3 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1wf6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf6 n GLY 4 N 4.43 4.00 3.53 0.23 0.00 -1.26 -5.03 105.19 111.08 1wf6 n GLY 4 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 1.77 -0.15 0.30 1.61 1.04 -1.26 -5.18 113.70 111.82 1wf6 s SER 5 Ca 0.00 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.76 1wf6 s SER 5 Cb 0.00 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1wf6 s SER 5 CO 0.00 -1.07 0.29 -1.54 0.98 0.00 0.00 173.24 171.90 1wf6 n SER 6 N -0.33 1.67 0.00 7.02 3.41 -1.26 -5.12 113.62 119.00 1wf6 n SER 6 Ca -0.07 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1wf6 n SER 6 Cb 0.62 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1wf6 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf6 n GLY 7 N 1.41 2.15 3.46 5.00 0.00 -1.26 -5.19 105.19 110.75 1wf6 n GLY 7 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1wf6 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf6 s SER 8 N 1.68 0.35 0.55 1.61 1.04 -1.26 -5.17 113.70 112.50 1wf6 s SER 8 Ca 0.00 -1.25 -0.04 0.00 0.48 0.00 0.00 55.95 55.15 1wf6 s SER 8 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1wf6 s SER 8 CO 0.00 -1.12 0.83 -1.61 0.98 0.00 0.00 173.24 172.32 1wf6 s GLU 9 N -3.71 2.94 0.37 4.02 2.02 -1.26 -5.11 118.70 117.97 1wf6 s GLU 9 Ca 0.29 -0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.20 1wf6 s GLU 9 Cb 0.01 -2.36 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 1wf6 s GLU 9 CO 0.14 -0.59 -0.05 -1.54 0.02 0.00 0.00 175.26 173.24 1wf6 s SER 10 N -4.29 3.80 -0.12 -0.19 1.04 -1.26 -5.15 113.70 107.54 1wf6 s SER 10 Ca 0.52 -1.27 -0.05 0.00 0.48 0.00 0.00 55.95 55.63 1wf6 s SER 10 Cb -0.10 -0.37 0.06 0.00 0.10 0.00 0.00 66.02 65.70 1wf6 s SER 10 CO 0.43 -0.31 0.27 -0.51 0.98 0.00 0.00 173.24 174.10 1wf6 s ILE 11 N -2.65 -0.21 0.06 -1.02 -1.16 -1.26 -5.15 121.20 109.80 1wf6 s ILE 11 Ca 0.34 0.20 0.07 0.00 -0.51 0.00 0.00 60.65 60.75 1wf6 s ILE 11 Cb 0.06 -0.43 -0.03 0.00 0.61 0.00 0.00 42.46 42.66 1wf6 s ILE 11 CO 0.17 0.08 -0.16 0.00 -2.81 0.00 0.00 174.94 172.22 1wf6 s ASN 13 N -1.66 -0.08 0.14 0.00 4.22 -1.26 -5.09 114.94 111.21 1wf6 s ASN 13 Ca 0.16 -0.32 -0.25 0.00 -2.14 0.00 0.00 52.86 50.32 1wf6 s ASN 13 Cb -0.11 0.37 0.06 0.00 1.28 0.00 0.00 41.25 42.86 1wf6 s ASN 13 CO 0.07 -0.67 0.83 -0.94 -2.04 0.00 0.00 177.10 174.35 1wf6 s SER 14 N -2.34 -0.31 0.99 3.54 1.04 -1.26 -5.17 113.70 110.19 1wf6 s SER 14 Ca -0.02 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 1wf6 s SER 14 Cb 0.01 0.53 0.18 0.00 0.10 0.00 0.00 66.02 66.84 1wf6 s SER 14 CO -0.06 -0.94 1.12 -0.22 0.98 0.00 0.00 173.24 174.11 1wf6 s LEU 15 N -2.79 1.67 -0.31 2.42 0.20 -1.26 -4.93 118.68 113.68 1wf6 s LEU 15 Ca 0.08 1.02 -0.29 0.00 0.69 0.00 0.00 54.13 55.64 1wf6 s LEU 15 Cb -0.02 -3.21 -0.01 0.00 -0.43 0.00 0.00 46.19 42.52 1wf6 s LEU 15 CO -0.02 -3.01 1.54 0.20 -0.29 0.00 0.00 176.35 174.76 1wf6 s ASN 16 N -3.74 6.32 -0.30 3.68 0.01 -1.26 -4.92 114.94 114.74 1wf6 s ASN 16 Ca 0.65 1.25 -0.17 0.00 -0.71 0.00 0.00 52.86 53.89 1wf6 s ASN 16 Cb -0.16 -2.53 0.18 0.00 0.41 0.00 0.00 41.25 39.14 1wf6 s ASN 16 CO 0.56 -1.37 1.12 -0.94 -1.51 0.00 0.00 177.10 174.96 1wf6 s SER 17 N 4.25 -0.34 0.44 -1.22 1.04 -1.26 -5.15 113.70 111.46 1wf6 s SER 17 Ca 0.67 0.49 -0.23 0.00 0.48 0.00 0.00 55.95 57.36 1wf6 s SER 17 Cb -0.20 1.34 -0.10 0.00 0.10 0.00 0.00 66.02 67.16 1wf6 s SER 17 CO 0.30 -0.07 0.93 1.17 0.98 0.00 0.00 173.24 176.55 1wf6 n LYS 18 N 4.47 1.18 -3.83 4.02 4.81 -1.26 -4.88 118.16 122.66 1wf6 n LYS 18 Ca -0.10 0.43 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 1wf6 n LYS 18 Cb 0.55 -1.97 -0.09 0.00 0.02 0.00 0.00 35.03 33.53 1wf6 n LYS 18 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1wf6 s LEU 19 N -0.30 1.32 0.62 3.14 1.43 -1.09 -5.09 118.68 118.71 1wf6 s LEU 19 Ca 0.64 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.46 1wf6 s LEU 19 Cb -0.55 0.87 -0.14 0.00 0.03 0.00 0.00 46.19 46.39 1wf6 s LEU 19 CO 0.56 -0.39 -0.31 1.21 0.23 0.00 0.00 176.35 177.64 1wf6 n GLU 20 N 1.40 0.00 -1.36 1.70 2.13 -1.26 -4.66 120.64 118.59 1wf6 n GLU 20 Ca -0.22 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.19 1wf6 n GLU 20 Cb 0.56 -0.96 -0.03 0.00 0.27 0.00 0.00 31.44 31.28 1wf6 n GLU 20 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1wf6 n PRO 21 N 1.72 2.24 -4.45 5.31 -0.04 -1.26 -4.65 135.00 133.88 1wf6 n PRO 21 Ca 0.05 -2.14 -0.24 0.00 -0.04 0.00 0.00 63.50 61.13 1wf6 n PRO 21 Cb 0.48 -3.02 -0.10 0.00 -0.04 0.00 0.00 33.50 30.82 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 3.95 2.57 0.10 0.52 -4.23 -1.25 -4.76 115.64 112.54 1wf6 s THR 22 Ca 0.52 -2.32 -0.32 0.00 -1.18 0.00 0.00 61.69 58.39 1wf6 s THR 22 Cb 0.14 -2.34 -0.12 0.00 1.34 0.00 0.00 72.50 71.52 1wf6 s THR 22 CO 0.01 -0.37 1.58 0.25 -0.54 0.00 0.00 174.62 175.55 1wf6 h LEU 23 N 2.33 -1.27 -1.65 4.79 7.12 -1.95 0.27 115.31 124.95 1wf6 h LEU 23 Ca -0.41 0.13 0.05 0.00 0.13 0.00 0.00 57.88 57.77 1wf6 h LEU 23 Cb 1.25 0.46 -0.01 0.00 -0.53 0.00 0.00 40.66 41.84 1wf6 h LEU 23 CO 0.59 -0.53 0.51 -0.33 -0.13 0.00 0.00 178.44 178.54 1wf6 h GLU 24 N -0.74 0.00 -2.25 1.25 5.08 -1.96 -0.21 114.58 115.74 1wf6 h GLU 24 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1wf6 h GLU 24 Cb 0.73 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.56 1wf6 h GLU 24 CO -0.19 0.00 -0.70 0.09 -1.00 0.00 0.00 179.01 177.21 1wf6 n ASN 25 N -3.05 4.05 -0.05 1.42 3.02 0.89 -4.77 115.26 116.77 1wf6 n ASN 25 Ca 0.02 -3.60 -0.21 0.00 -0.03 0.00 0.00 54.58 50.76 1wf6 n ASN 25 Cb 0.60 -0.57 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 1wf6 n ASN 25 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wf6 n LEU 26 N -0.14 2.64 -0.22 3.41 0.00 -0.09 -3.76 117.00 118.84 1wf6 n LEU 26 Ca 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 56.01 56.43 1wf6 n LEU 26 Cb 0.42 -1.03 0.20 0.00 0.00 0.00 0.00 43.42 43.02 1wf6 n LEU 26 CO 0.33 0.82 1.18 -0.33 0.00 0.00 0.00 177.39 179.38 1wf6 h GLU 27 N -0.10 1.01 -1.50 1.96 5.08 -1.86 -2.22 114.58 116.95 1wf6 h GLU 27 Ca -0.48 -0.10 -0.70 0.00 -1.00 0.00 0.00 59.36 57.08 1wf6 h GLU 27 Cb 1.91 -0.21 -0.31 0.00 0.50 0.00 0.00 28.75 30.64 1wf6 h GLU 27 CO -0.02 0.73 0.65 0.09 -1.00 0.00 0.00 179.01 179.46 1wf6 n ASN 28 N -4.37 7.08 -4.85 1.42 3.02 -1.26 -4.95 115.26 111.35 1wf6 n ASN 28 Ca 0.08 -3.80 -0.31 0.00 -0.03 0.00 0.00 54.58 50.52 1wf6 n ASN 28 Cb 0.08 -0.91 -0.05 0.00 -0.61 0.00 0.00 39.78 38.29 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 -3.90 4.08 -0.80 3.41 2.96 -0.84 -2.67 118.68 120.92 1wf6 s LEU 29 Ca 0.56 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1wf6 s LEU 29 Cb 0.46 -2.70 0.20 0.00 0.50 0.00 0.00 46.19 44.64 1wf6 s LEU 29 CO -0.22 0.18 0.65 -0.62 -1.32 0.00 0.00 176.35 175.02 1wf6 s ASP 30 N -2.41 5.47 0.62 3.68 2.15 -1.26 -4.88 116.67 120.04 1wf6 s ASP 30 Ca 0.32 -3.76 0.30 0.00 0.43 0.00 0.00 52.55 49.84 1wf6 s ASP 30 Cb -0.13 -1.79 1.62 0.00 -0.30 0.00 0.00 42.92 42.32 1wf6 s ASP 30 CO 0.24 -0.14 1.97 1.62 -0.17 0.00 0.00 175.17 178.69 1wf6 h VAL 31 N 4.25 0.23 0.00 1.11 3.04 -1.96 1.53 116.25 124.45 1wf6 h VAL 31 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 1wf6 h VAL 31 Cb 0.79 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1wf6 h VAL 31 CO 0.79 0.00 0.00 -1.28 -1.01 0.00 0.00 177.57 176.07 1wf6 h SER 32 N 0.00 0.00 -0.10 3.17 0.87 -1.97 -3.10 113.55 112.42 1wf6 h SER 32 Ca 0.09 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1wf6 h SER 32 Cb 0.77 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1wf6 h SER 32 CO -0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 176.83 176.20 1wf6 h ALA 33 N 2.36 0.14 -1.48 6.23 0.00 0.18 -3.44 119.26 123.25 1wf6 h ALA 33 Ca 0.00 -0.30 -0.74 0.00 0.00 0.00 0.00 54.91 53.87 1wf6 h ALA 33 Cb 0.57 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1wf6 h ALA 33 CO 0.00 -0.02 0.65 1.19 0.00 0.00 0.00 179.25 181.07 1wf6 n PHE 34 N -4.65 1.71 1.25 0.00 3.72 -1.17 -4.82 117.46 113.49 1wf6 n PHE 34 Ca -0.07 0.68 0.13 0.00 -0.05 0.00 0.00 57.45 58.14 1wf6 n PHE 34 Cb 0.33 -2.36 0.31 0.00 -0.94 0.00 0.00 39.48 36.82 1wf6 n PHE 34 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wf6 n GLN 35 N 3.88 1.59 -0.90 -1.08 1.13 -1.26 -4.97 117.38 115.77 1wf6 n GLN 35 Ca 0.24 -1.11 -0.36 0.00 -1.94 0.00 0.00 57.00 53.82 1wf6 n GLN 35 Cb 0.13 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.07 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 0.27 -5.05 -1.69 -1.58 0.00 -1.20 -4.90 120.51 106.36 1wf6 n ALA 36 Ca 0.15 -1.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.13 1wf6 n ALA 36 Cb 0.43 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.50 3.39 0.00 0.00 0.04 -1.26 -4.92 135.00 129.76 1wf6 s PRO 37 Ca 0.44 1.16 0.17 0.00 0.04 0.00 0.00 61.00 62.81 1wf6 s PRO 37 Cb -0.04 -2.05 0.87 0.00 0.04 0.00 0.00 34.50 33.32 1wf6 s PRO 37 CO 0.70 -0.75 1.50 0.39 0.04 0.00 0.00 177.00 178.88 1wf6 n GLU 38 N -2.00 0.26 -0.08 4.56 1.02 -1.26 -1.53 120.64 121.62 1wf6 n GLU 38 Ca 0.08 0.12 0.09 0.00 -0.02 0.00 0.00 57.16 57.43 1wf6 n GLU 38 Cb 0.53 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.58 1wf6 n GLU 38 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wf6 n ASP 39 N -1.27 2.24 -0.41 1.62 8.00 -1.14 -2.83 116.55 122.76 1wf6 n ASP 39 Ca 0.08 -2.97 -0.09 0.00 0.71 0.00 0.00 54.79 52.52 1wf6 n ASP 39 Cb 0.13 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.32 -0.99 -3.73 0.64 7.94 0.49 -1.10 117.00 118.94 1wf6 n LEU 40 Ca 0.14 1.77 -0.39 0.00 -1.11 0.00 0.00 56.01 56.42 1wf6 n LEU 40 Cb 0.62 -0.26 -0.00 0.00 0.53 0.00 0.00 43.42 44.30 1wf6 n LEU 40 CO 0.01 -1.47 0.98 0.18 -1.11 0.00 0.00 177.39 175.99 1wf6 n LEU 41 N -5.29 6.15 -4.68 -1.96 4.77 0.43 -4.84 117.00 111.59 1wf6 n LEU 41 Ca 0.03 -5.34 -0.43 0.00 -0.03 0.00 0.00 56.01 50.25 1wf6 n LEU 41 Cb 0.28 -1.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1wf6 n LEU 41 CO -0.16 1.90 0.95 -0.62 -1.33 0.00 0.00 177.39 178.13 1wf6 s ASP 42 N -1.92 7.07 -1.42 -1.43 -1.08 -0.25 0.40 116.67 118.03 1wf6 s ASP 42 Ca 0.36 1.67 -0.07 0.00 -0.52 0.00 0.00 52.55 53.99 1wf6 s ASP 42 Cb 0.12 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1wf6 s ASP 42 CO 0.01 -0.61 0.89 0.61 0.52 0.00 0.00 175.17 176.58 1wf6 n GLY 43 N 3.36 -0.50 3.08 2.66 0.00 -1.26 -4.97 105.19 107.55 1wf6 n GLY 43 Ca 0.11 0.17 -0.32 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 1.09 3.26 0.17 0.00 0.52 -1.26 -0.91 118.95 121.83 1wf6 s ARG 45 Ca -0.06 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1wf6 s ARG 45 Cb -0.20 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.26 1wf6 s ARG 45 CO -0.05 -1.06 0.01 0.42 0.02 0.00 0.00 175.30 174.64 1wf6 s ILE 46 N 2.85 3.80 -0.16 1.52 1.09 -0.58 0.17 121.20 129.89 1wf6 s ILE 46 Ca 0.22 -1.38 0.01 0.00 -1.10 0.00 0.00 60.65 58.40 1wf6 s ILE 46 Cb -0.15 -2.91 0.01 0.00 -1.06 0.00 0.00 42.46 38.35 1wf6 s ILE 46 CO 0.18 -0.10 -0.18 -0.47 -0.10 0.00 0.00 174.94 174.27 1wf6 s TYR 47 N -1.71 2.76 -0.10 3.97 6.14 0.72 -0.68 117.35 128.45 1wf6 s TYR 47 Ca 0.28 -1.28 -0.20 0.00 0.64 0.00 0.00 57.07 56.50 1wf6 s TYR 47 Cb -0.09 -1.89 -0.04 0.00 0.42 0.00 0.00 41.96 40.36 1wf6 s TYR 47 CO 0.19 -0.61 0.58 -0.51 0.64 0.00 0.00 175.55 175.84 1wf6 s LEU 48 N 0.99 4.29 -0.01 6.97 1.43 -1.26 -0.59 118.68 130.50 1wf6 s LEU 48 Ca -0.02 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1wf6 s LEU 48 Cb -0.15 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 43.21 1wf6 s LEU 48 CO -0.04 -0.06 -0.07 0.00 0.23 0.00 0.00 176.35 176.41 1wf6 n GLY 50 N 3.01 1.99 2.76 0.00 0.00 -1.26 -0.10 105.19 111.59 1wf6 n GLY 50 Ca -0.14 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.39 0.03 1.61 3.72 -1.26 -4.85 117.46 113.31 1wf6 n PHE 51 Ca 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1wf6 n PHE 51 Cb 0.00 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.16 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 2.56 -0.35 -1.71 4.37 2.88 -1.26 -4.79 113.62 115.32 1wf6 n SER 52 Ca 0.03 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wf6 n SER 52 Cb 0.44 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 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 -0.45 -0.82 0.31 0.46 0.00 -1.26 -4.23 105.19 99.19 1wf6 n GLY 53 Ca 0.00 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 0.14 -0.89 1.61 3.08 -1.95 0.57 114.38 116.94 1wf6 h ARG 54 Ca 0.00 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.25 1wf6 h ARG 54 Cb 0.00 -0.03 -0.16 0.00 0.08 0.00 0.00 29.97 29.86 1wf6 h ARG 54 CO 0.00 0.09 -0.05 0.87 -1.07 0.00 0.00 179.97 179.81 1wf6 h LYS 55 N 0.14 0.04 0.28 0.04 1.57 -1.86 0.69 116.57 117.47 1wf6 h LYS 55 Ca 0.57 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 1wf6 h LYS 55 Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1wf6 h LYS 55 CO -0.72 0.03 -0.13 1.25 -0.57 0.00 0.00 179.45 179.30 1wf6 h LEU 56 N 0.04 -0.32 -0.77 2.94 5.85 -0.08 -3.12 115.31 119.86 1wf6 h LEU 56 Ca 0.49 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.53 1wf6 h LEU 56 Cb 0.89 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.86 1wf6 h LEU 56 CO -0.84 -0.02 0.36 -0.67 -0.34 0.00 0.00 178.44 176.93 1wf6 n ASP 57 N -4.12 0.22 0.00 1.25 -0.08 -0.50 0.29 116.55 113.61 1wf6 n ASP 57 Ca -0.05 1.29 -0.00 0.00 -1.51 0.00 0.00 54.79 54.52 1wf6 n ASP 57 Cb 0.15 -0.61 -0.00 0.00 2.34 0.00 0.00 41.12 43.00 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1wf6 h LYS 58 N 0.00 -0.01 -0.92 -0.67 1.79 0.36 -1.21 116.57 115.91 1wf6 h LYS 58 Ca 0.63 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 59.32 1wf6 h LYS 58 Cb 1.63 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 32.11 1wf6 h LYS 58 CO -0.62 -0.01 -0.10 -0.07 -1.08 0.00 0.00 179.45 177.58 1wf6 h LEU 59 N -0.01 -0.63 -0.94 2.94 4.07 -0.10 1.53 115.31 122.17 1wf6 h LEU 59 Ca -0.00 0.26 0.22 0.00 0.08 0.00 0.00 57.88 58.45 1wf6 h LEU 59 Cb 0.01 0.50 -0.12 0.00 1.08 0.00 0.00 40.66 42.13 1wf6 h LEU 59 CO -0.00 -0.30 0.48 0.03 -1.08 0.00 0.00 178.44 177.57 1wf6 h ARG 60 N 0.02 0.48 -0.00 1.13 3.08 -0.72 0.93 114.38 119.31 1wf6 h ARG 60 Ca 0.49 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 60.29 1wf6 h ARG 60 Cb 0.88 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1wf6 h ARG 60 CO -0.89 0.32 -0.93 0.00 -1.07 0.00 0.00 179.97 177.40 1wf6 h ARG 61 N 0.50 0.38 0.03 0.04 3.08 0.32 -2.92 114.38 115.81 1wf6 h ARG 61 Ca 0.58 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1wf6 h ARG 61 Cb 1.09 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1wf6 h ARG 61 CO -0.49 1.08 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.41 1wf6 h LEU 62 N 0.22 -0.04 -0.86 3.04 4.07 0.28 0.61 115.31 122.63 1wf6 h LEU 62 Ca -0.07 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.00 1wf6 h LEU 62 Cb 1.56 0.01 -0.13 0.00 1.08 0.00 0.00 40.66 43.19 1wf6 h LEU 62 CO 0.16 -0.02 -0.40 -0.38 -1.08 0.00 0.00 178.44 176.73 1wf6 n ILE 63 N -2.17 -0.50 -0.06 1.22 5.41 0.28 0.16 119.36 123.70 1wf6 n ILE 63 Ca -0.01 2.05 -0.10 0.00 1.00 0.00 0.00 62.75 65.70 1wf6 n ILE 63 Cb 0.02 -2.64 -0.03 0.00 -0.71 0.00 0.00 39.64 36.27 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 0.27 -0.45 4.38 -0.73 -1.57 0.65 115.58 118.13 1wf6 h ASN 64 Ca 0.25 -0.01 0.13 0.00 1.87 0.00 0.00 56.30 58.54 1wf6 h ASN 64 Cb 0.46 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1wf6 h ASN 64 CO -0.84 0.20 0.34 -1.28 -0.37 0.00 0.00 177.43 175.48 1wf6 h SER 65 N 0.32 0.00 0.64 1.15 0.87 0.73 0.43 113.55 117.69 1wf6 h SER 65 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 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 -0.02 0.00 -0.95 0.61 -0.53 0.00 0.00 176.83 175.94 1wf6 n GLY 66 N -1.61 -1.30 0.00 5.77 0.00 0.36 -3.99 105.19 104.42 1wf6 n GLY 66 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.32 2.28 3.48 -0.02 0.00 0.17 0.19 105.19 112.61 1wf6 n GLY 67 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.75 -1.59 3.29 -0.02 0.00 0.17 -4.53 105.19 100.76 1wf6 n GLY 68 Ca 0.00 -0.76 -0.36 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 -2.45 3.47 -0.70 1.61 1.01 -0.08 -3.85 120.40 119.42 1wf6 s VAL 69 Ca 0.60 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 1wf6 s VAL 69 Cb -0.21 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1wf6 s VAL 69 CO 0.65 0.22 1.24 -0.60 0.00 0.00 0.00 175.10 176.61 1wf6 s ARG 70 N 1.44 3.27 -0.14 2.72 3.52 -1.26 -1.52 118.95 126.97 1wf6 s ARG 70 Ca 0.03 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.18 1wf6 s ARG 70 Cb -0.16 -4.14 -0.01 0.00 -1.56 0.00 0.00 34.95 29.07 1wf6 s ARG 70 CO -0.01 -2.01 1.18 -0.06 -0.81 0.00 0.00 175.30 173.59 1wf6 s PHE 71 N 5.45 3.09 -0.37 5.12 0.40 0.15 -4.89 117.98 126.93 1wf6 s PHE 71 Ca 0.36 1.20 0.27 0.00 -0.60 0.00 0.00 56.93 58.16 1wf6 s PHE 71 Cb -0.08 -3.41 0.90 0.00 0.51 0.00 0.00 43.02 40.93 1wf6 s PHE 71 CO 0.17 -1.25 1.78 -2.95 0.70 0.00 0.00 175.22 173.67 1wf6 h ASN 72 N 7.77 0.00 -4.22 1.36 -1.07 -1.94 -3.36 115.58 114.12 1wf6 h ASN 72 Ca -0.28 0.00 -0.42 0.00 0.07 0.00 0.00 56.30 55.68 1wf6 h ASN 72 Cb 1.12 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.17 1wf6 h ASN 72 CO 0.94 0.00 -0.77 -1.10 0.07 0.00 0.00 177.43 176.57 1wf6 s GLN 73 N -3.34 0.95 0.31 4.14 -0.21 -1.26 -5.03 119.66 115.23 1wf6 s GLN 73 Ca 0.06 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.34 1wf6 s GLN 73 Cb 0.09 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 33.19 1wf6 s GLN 73 CO 0.55 0.18 0.46 -1.17 -2.12 0.00 0.00 175.29 173.19 1wf6 s LEU 74 N -2.19 4.09 0.00 2.90 0.20 -1.26 -4.96 118.68 117.46 1wf6 s LEU 74 Ca 0.05 0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.95 1wf6 s LEU 74 Cb -0.07 -2.93 0.00 0.00 -0.43 0.00 0.00 46.19 42.76 1wf6 s LEU 74 CO 0.03 -0.29 0.00 -0.46 -0.29 0.00 0.00 176.35 175.34 1wf6 n ASN 75 N -1.62 0.00 -4.56 3.68 6.94 -1.26 -5.01 115.26 113.44 1wf6 n ASN 75 Ca -0.04 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.26 1wf6 n ASN 75 Cb 0.57 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.94 1wf6 n ASN 75 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1wf6 s GLU 76 N -1.92 2.12 0.00 -3.83 2.02 -1.26 -2.23 118.70 113.60 1wf6 s GLU 76 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1wf6 s GLU 76 Cb 0.00 -4.77 0.00 0.00 0.10 0.00 0.00 34.13 29.46 1wf6 s GLU 76 CO 0.00 -3.67 0.00 -0.25 0.02 0.00 0.00 175.26 171.36 1wf6 n ASP 77 N 15.95 0.00 -4.60 -0.19 8.00 -1.26 -5.11 116.55 129.34 1wf6 n ASP 77 Ca 0.39 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.41 1wf6 n ASP 77 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1wf6 n ASP 77 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wf6 n VAL 78 N 0.00 0.43 0.20 2.53 0.31 -0.95 -4.68 118.33 116.17 1wf6 n VAL 78 Ca 0.00 -0.22 0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1wf6 n VAL 78 Cb 0.00 -1.94 0.09 0.00 -0.91 0.00 0.00 33.84 31.07 1wf6 n VAL 78 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1wf6 h THR 79 N 6.25 0.00 -3.31 2.52 1.35 0.13 -3.44 112.91 116.41 1wf6 h THR 79 Ca -0.41 -0.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.46 1wf6 h THR 79 Cb 1.28 1.65 -0.12 0.00 -1.73 0.00 0.00 68.15 69.24 1wf6 h THR 79 CO 0.97 0.00 0.00 -1.00 -0.25 0.00 0.00 175.52 175.24 1wf6 s HIS 80 N -3.29 -0.22 -0.31 4.73 3.76 -1.07 -4.03 115.29 114.87 1wf6 s HIS 80 Ca 0.03 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 1wf6 s HIS 80 Cb 0.08 0.35 0.12 0.00 1.11 0.00 0.00 32.58 34.23 1wf6 s HIS 80 CO 0.73 -0.80 0.16 0.08 -0.85 0.00 0.00 174.74 174.07 1wf6 s VAL 81 N -3.82 -0.00 -0.50 -0.90 1.01 0.22 -0.20 120.40 116.20 1wf6 s VAL 81 Ca 0.05 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 1wf6 s VAL 81 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1wf6 s VAL 81 CO -0.09 -0.82 1.24 -0.63 0.00 0.00 0.00 175.10 174.80 1wf6 s ILE 82 N 1.72 4.05 -0.12 2.22 -1.09 0.24 -1.28 121.20 126.94 1wf6 s ILE 82 Ca 0.12 1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 59.41 1wf6 s ILE 82 Cb -0.19 -4.53 -0.05 0.00 -1.58 0.00 0.00 42.46 36.12 1wf6 s ILE 82 CO -0.23 -1.05 0.40 -0.69 -1.23 0.00 0.00 174.94 172.14 1wf6 s VAL 83 N 4.95 5.22 -0.18 2.92 1.01 0.30 -1.50 120.40 133.11 1wf6 s VAL 83 Ca 0.50 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 1wf6 s VAL 83 Cb -0.09 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 1wf6 s VAL 83 CO 0.30 0.38 0.12 0.61 0.00 0.00 0.00 175.10 176.51 1wf6 n GLY 84 N 3.16 -0.49 1.19 4.51 0.00 0.85 -3.89 105.19 110.52 1wf6 n GLY 84 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1wf6 n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf6 n ASP 85 N -3.46 0.37 -3.34 1.61 8.00 -1.26 -4.89 116.55 113.59 1wf6 n ASP 85 Ca -0.38 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.00 1wf6 n ASP 85 Cb 1.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wf6 s TYR 86 N -1.80 0.73 -0.42 1.24 1.51 -1.26 -5.08 117.35 112.26 1wf6 s TYR 86 Ca 0.00 -1.08 0.06 0.00 -1.01 0.00 0.00 57.07 55.04 1wf6 s TYR 86 Cb 0.00 0.16 0.21 0.00 -0.11 0.00 0.00 41.96 42.22 1wf6 s TYR 86 CO 0.00 -1.20 0.51 -0.40 -1.11 0.00 0.00 175.55 173.36 1wf6 n ASP 87 N -1.20 -0.81 -0.05 2.29 5.75 -1.26 -4.00 116.55 117.27 1wf6 n ASP 87 Ca -0.01 -2.66 -0.18 0.00 -0.01 0.00 0.00 54.79 51.93 1wf6 n ASP 87 Cb 0.61 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 1wf6 n ASP 87 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1wf6 h ASP 88 N 4.75 0.14 -0.94 -1.12 3.32 -1.99 -3.32 116.42 117.25 1wf6 h ASP 88 Ca 0.12 -0.87 0.38 0.00 0.02 0.00 0.00 57.03 56.69 1wf6 h ASP 88 Cb 0.93 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.28 1wf6 h ASP 88 CO 0.36 1.26 0.53 1.21 -1.72 0.00 0.00 179.24 180.88 1wf6 n GLU 89 N -4.39 -0.05 -0.13 3.56 2.13 -1.26 0.14 120.64 120.64 1wf6 n GLU 89 Ca -0.17 1.21 -0.07 0.00 0.66 0.00 0.00 57.16 58.79 1wf6 n GLU 89 Cb 0.64 -2.21 -0.01 0.00 0.27 0.00 0.00 31.44 30.13 1wf6 n GLU 89 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wf6 h LEU 90 N 0.00 -1.11 -0.92 4.31 -0.00 -1.99 -0.20 115.31 115.40 1wf6 h LEU 90 Ca 0.76 0.20 0.12 0.00 -0.00 0.00 0.00 57.88 58.96 1wf6 h LEU 90 Cb 2.08 0.52 -0.14 0.00 -0.00 0.00 0.00 40.66 43.13 1wf6 h LEU 90 CO -0.65 -0.32 -0.42 0.29 -0.00 0.00 0.00 178.44 177.34 1wf6 n LYS 91 N -5.42 -0.28 -0.08 1.13 5.02 0.37 0.21 118.16 119.12 1wf6 n LYS 91 Ca 0.01 1.41 -0.08 0.00 -2.02 0.00 0.00 58.31 57.63 1wf6 n LYS 91 Cb 0.34 -2.08 -0.01 0.00 -0.02 0.00 0.00 35.03 33.25 1wf6 n LYS 91 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wf6 h GLN 92 N 0.00 -0.24 -0.19 1.97 1.08 -1.10 0.52 115.11 117.14 1wf6 h GLN 92 Ca 0.26 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.43 1wf6 h GLN 92 Cb 0.49 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1wf6 h GLN 92 CO -0.90 -0.16 -0.10 0.35 -0.95 0.00 0.00 178.83 177.07 1wf6 h PHE 93 N -0.25 0.32 0.00 2.96 3.57 0.86 0.75 116.94 125.15 1wf6 h PHE 93 Ca 0.16 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1wf6 h PHE 93 Cb 0.50 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1wf6 h PHE 93 CO -0.46 0.41 0.00 0.91 -2.23 0.00 0.00 178.31 176.94 1wf6 n TRP 94 N -4.27 0.29 0.92 0.41 8.01 0.57 -1.57 117.44 121.80 1wf6 n TRP 94 Ca -0.00 0.10 0.11 0.00 -1.31 0.00 0.00 57.50 56.40 1wf6 n TRP 94 Cb 0.27 -0.66 0.09 0.00 -2.01 0.00 0.00 31.31 28.99 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 -1.75 2.78 0.00 -0.99 5.15 0.16 -4.72 115.26 115.89 1wf6 n ASN 95 Ca 0.05 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.14 1wf6 n ASN 95 Cb 0.27 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 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 1.16 0.00 -3.62 1.20 5.02 -0.61 -5.05 118.16 116.25 1wf6 n LYS 96 Ca 0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1wf6 n LYS 96 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.06 6.33 -0.64 4.39 0.01 -0.76 -5.05 113.70 118.04 1wf6 s SER 97 Ca 0.00 0.35 -0.19 0.00 1.31 0.00 0.00 55.95 57.42 1wf6 s SER 97 Cb 0.00 -1.98 0.11 0.00 0.21 0.00 0.00 66.02 64.36 1wf6 s SER 97 CO 0.00 -0.16 0.75 0.00 0.41 0.00 0.00 173.24 174.24 1wf6 s ALA 98 N -2.09 3.45 -0.28 1.44 0.00 -1.26 -4.37 121.76 118.65 1wf6 s ALA 98 Ca 0.38 -2.35 -0.22 0.00 0.00 0.00 0.00 51.96 49.78 1wf6 s ALA 98 Cb -0.10 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.54 1wf6 s ALA 98 CO 0.32 -2.41 0.85 -1.58 0.00 0.00 0.00 175.76 172.93 1wf6 s HIS 99 N 2.54 -0.72 -0.33 0.00 5.04 -1.26 -5.11 115.29 115.44 1wf6 s HIS 99 Ca 0.14 1.63 0.04 0.00 -1.54 0.00 0.00 55.06 55.32 1wf6 s HIS 99 Cb -0.21 0.39 0.10 0.00 0.04 0.00 0.00 32.58 32.89 1wf6 s HIS 99 CO 0.04 -0.35 0.04 0.50 -2.34 0.00 0.00 174.74 172.63 1wf6 s ARG 100 N 0.76 1.47 1.07 2.88 3.52 -1.26 -4.84 118.95 122.55 1wf6 s ARG 100 Ca -0.03 -1.80 -0.17 0.00 -0.13 0.00 0.00 55.73 53.60 1wf6 s ARG 100 Cb -0.05 -3.11 0.24 0.00 -1.56 0.00 0.00 34.95 30.47 1wf6 s ARG 100 CO -0.08 -0.92 1.22 -1.25 -0.81 0.00 0.00 175.30 173.45 1wf6 s PRO 101 N 0.96 -0.21 -0.62 5.12 0.04 -1.26 -4.97 135.00 134.06 1wf6 s PRO 101 Ca 0.10 -0.22 -0.23 0.00 0.04 0.00 0.00 61.00 60.69 1wf6 s PRO 101 Cb -0.19 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1wf6 s PRO 101 CO -0.09 -3.01 0.97 -1.01 0.04 0.00 0.00 177.00 173.90 1wf6 s HIS 102 N -3.45 2.70 -0.75 0.56 3.76 -1.26 -4.88 115.29 111.97 1wf6 s HIS 102 Ca 0.72 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 55.11 1wf6 s HIS 102 Cb -0.07 -4.22 0.09 0.00 1.11 0.00 0.00 32.58 29.50 1wf6 s HIS 102 CO 0.54 -1.56 1.01 0.08 -0.85 0.00 0.00 174.74 173.97 1wf6 s VAL 103 N 4.11 4.49 0.45 -0.90 1.01 -1.26 0.70 120.40 129.00 1wf6 s VAL 103 Ca 0.26 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1wf6 s VAL 103 Cb -0.15 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.49 1wf6 s VAL 103 CO 0.14 -1.46 0.04 0.68 0.00 0.00 0.00 175.10 174.50 1wf6 s VAL 104 N 3.52 1.21 0.08 2.92 -7.23 -0.41 -0.23 120.40 120.27 1wf6 s VAL 104 Ca 0.25 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1wf6 s VAL 104 Cb -0.13 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1wf6 s VAL 104 CO 0.03 0.00 0.14 -0.83 -0.31 0.00 0.00 175.10 174.13 1wf6 s GLY 105 N -3.75 2.04 0.44 2.32 0.00 -1.13 0.11 107.32 107.35 1wf6 s GLY 105 Ca 0.19 -0.97 0.30 0.00 0.00 0.00 0.00 44.72 44.24 1wf6 s GLY 105 CO 0.10 -0.95 1.61 0.00 0.00 0.00 0.00 173.10 173.85 1wf6 h ALA 106 N 3.10 2.74 -0.94 3.20 0.00 -1.89 0.78 119.26 126.24 1wf6 h ALA 106 Ca -0.46 0.13 0.32 0.00 0.00 0.00 0.00 54.91 54.89 1wf6 h ALA 106 Cb 1.17 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 19.01 1wf6 h ALA 106 CO 0.69 -1.40 0.22 1.17 0.00 0.00 0.00 179.25 179.93 1wf6 n LYS 107 N -4.73 -0.07 0.24 0.00 4.81 -1.26 0.31 118.16 117.46 1wf6 n LYS 107 Ca 0.38 1.37 -0.10 0.00 -0.87 0.00 0.00 58.31 59.10 1wf6 n LYS 107 Cb 1.47 -2.29 -0.05 0.00 0.02 0.00 0.00 35.03 34.19 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 -0.57 -0.95 5.64 7.01 0.24 -1.34 115.95 125.98 1wf6 h TRP 108 Ca 0.67 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.82 1wf6 h TRP 108 Cb 1.57 0.19 -0.16 0.00 -2.10 0.00 0.00 29.16 28.66 1wf6 h TRP 108 CO -0.28 -0.36 -0.32 -0.11 -2.79 0.00 0.00 178.44 174.58 1wf6 n LEU 109 N -3.96 -0.50 0.05 0.65 0.00 0.13 0.39 117.00 113.75 1wf6 n LEU 109 Ca -0.08 1.64 -0.09 0.00 0.00 0.00 0.00 56.01 57.49 1wf6 n LEU 109 Cb 0.24 -0.43 -0.06 0.00 0.00 0.00 0.00 43.42 43.18 1wf6 n LEU 109 CO 0.19 -1.52 0.51 -0.07 0.00 0.00 0.00 177.39 176.49 1wf6 h LEU 110 N 0.00 -0.91 -0.96 -1.96 3.38 -0.06 0.37 115.31 115.17 1wf6 h LEU 110 Ca 0.38 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.70 1wf6 h LEU 110 Cb 0.62 0.34 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1wf6 h LEU 110 CO -0.96 -0.30 0.51 -0.33 0.09 0.00 0.00 178.44 177.45 1wf6 h GLU 111 N -0.40 0.44 0.17 1.13 4.39 0.59 1.70 114.58 122.61 1wf6 h GLU 111 Ca 0.00 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1wf6 h GLU 111 Cb 0.41 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1wf6 h GLU 111 CO -0.18 0.29 -0.38 0.00 -1.16 0.00 0.00 179.01 177.58 1wf6 h PHE 113 N -0.64 0.94 -0.72 0.00 0.04 0.13 0.47 116.94 117.15 1wf6 h PHE 113 Ca 0.02 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 1wf6 h PHE 113 Cb 0.65 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1wf6 h PHE 113 CO -0.31 1.01 0.38 1.03 -0.60 0.00 0.00 178.31 179.81 1wf6 h SER 114 N 0.69 0.92 1.39 2.17 0.87 0.30 -2.04 113.55 117.85 1wf6 h SER 114 Ca 0.08 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 1wf6 h SER 114 Cb 0.83 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1wf6 h SER 114 CO 0.07 0.77 -0.59 0.11 -0.53 0.00 0.00 176.83 176.66 1wf6 h LYS 115 N 1.00 0.00 0.00 2.24 1.79 0.26 -3.46 116.57 118.40 1wf6 h LYS 115 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1wf6 h LYS 115 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1wf6 h LYS 115 CO -0.04 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.34 1wf6 n GLY 116 N 1.23 0.94 2.98 3.86 0.00 0.15 -4.96 105.19 109.39 1wf6 n GLY 116 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.24 0.22 0.40 1.61 1.13 -0.18 -4.20 117.35 114.09 1wf6 s TYR 117 Ca 0.00 -0.45 -0.27 0.00 -1.41 0.00 0.00 57.07 54.93 1wf6 s TYR 117 Cb 0.00 -0.16 -0.10 0.00 -1.10 0.00 0.00 41.96 40.59 1wf6 s TYR 117 CO 0.00 -0.18 1.48 -1.33 -2.51 0.00 0.00 175.55 173.01 1wf6 n MET 118 N 1.71 2.57 -4.42 -3.49 2.81 -1.26 -4.34 117.12 110.70 1wf6 n MET 118 Ca -0.23 0.91 -0.30 0.00 -1.81 0.00 0.00 57.70 56.27 1wf6 n MET 118 Cb 0.55 -2.67 -0.06 0.00 -0.71 0.00 0.00 33.22 30.34 1wf6 n MET 118 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wf6 s LEU 119 N -2.26 2.53 0.48 4.03 1.43 -1.26 -5.02 118.68 118.61 1wf6 s LEU 119 Ca 0.55 -1.46 -0.24 0.00 -1.03 0.00 0.00 54.13 51.96 1wf6 s LEU 119 Cb -0.47 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 1wf6 s LEU 119 CO 0.62 -0.88 1.34 -0.44 0.23 0.00 0.00 176.35 177.23 1wf6 s SER 120 N -3.99 5.78 0.00 2.29 0.01 -1.26 -4.92 113.70 111.61 1wf6 s SER 120 Ca 0.19 2.73 0.23 0.00 1.31 0.00 0.00 55.95 60.41 1wf6 s SER 120 Cb 0.01 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.67 1wf6 s SER 120 CO 0.11 -1.22 1.11 -0.62 0.41 0.00 0.00 173.24 173.03 1wf6 n GLU 121 N -0.47 0.01 -0.15 12.44 4.71 -1.26 -4.16 120.64 131.76 1wf6 n GLU 121 Ca 0.07 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.12 1wf6 n GLU 121 Cb 0.44 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.36 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 0.77 0.00 3.49 5.08 -1.99 -1.98 114.58 119.95 1wf6 h GLU 122 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1wf6 h GLU 122 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wf6 h GLU 122 CO 0.00 0.85 0.00 -0.35 -1.00 0.00 0.00 179.01 178.51 1wf6 n PRO 123 N -4.39 0.75 -2.79 2.33 -0.04 -1.26 -2.97 135.00 126.63 1wf6 n PRO 123 Ca -0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1wf6 n PRO 123 Cb 0.31 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.86 1.19 -3.06 0.54 4.02 -0.80 -5.05 117.16 113.14 1wf6 n TYR 124 Ca 0.13 -2.30 -0.35 0.00 -0.01 0.00 0.00 57.90 55.37 1wf6 n TYR 124 Cb 0.06 -0.25 -0.06 0.00 -0.02 0.00 0.00 39.34 39.07 1wf6 n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1wf6 s ILE 125 N -3.59 4.54 -0.35 -0.72 -1.09 -0.87 -2.84 121.20 116.28 1wf6 s ILE 125 Ca 0.27 1.29 -0.09 0.00 -2.23 0.00 0.00 60.65 59.89 1wf6 s ILE 125 Cb 0.36 -3.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1wf6 s ILE 125 CO -0.02 0.12 0.16 -2.28 -1.23 0.00 0.00 174.94 171.69 1wf6 s HIS 126 N -1.63 3.24 0.45 3.97 2.46 0.68 -4.84 115.29 119.62 1wf6 s HIS 126 Ca 0.46 -1.10 0.06 0.00 0.47 0.00 0.00 55.06 54.95 1wf6 s HIS 126 Cb -0.16 -2.36 -0.03 0.00 -0.13 0.00 0.00 32.58 29.90 1wf6 s HIS 126 CO 0.20 -0.66 0.16 -1.12 -2.47 0.00 0.00 174.74 170.85 1wf6 s SER 127 N 1.50 4.32 -0.36 9.88 0.01 -1.26 -4.91 113.70 122.87 1wf6 s SER 127 Ca 0.01 -1.27 -0.24 0.00 1.31 0.00 0.00 55.95 55.76 1wf6 s SER 127 Cb -0.19 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1wf6 s SER 127 CO 0.05 -0.69 0.84 -0.83 0.41 0.00 0.00 173.24 173.02 1wf6 s GLY 128 N -3.93 1.63 -0.44 3.44 0.00 -1.26 -5.00 107.32 101.76 1wf6 s GLY 128 Ca 0.32 -0.55 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 1wf6 s GLY 128 CO 0.18 1.85 1.43 2.56 0.00 0.00 0.00 173.10 179.12 1wf6 s PRO 129 N 3.22 3.50 0.11 2.90 0.04 -1.26 -4.63 135.00 138.88 1wf6 s PRO 129 Ca 0.34 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1wf6 s PRO 129 Cb -0.13 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1wf6 s PRO 129 CO 0.17 -1.67 0.00 0.43 0.04 0.00 0.00 177.00 175.97 1wf6 n SER 130 N 9.08 -0.15 0.00 6.66 7.64 -1.26 -5.04 113.62 130.55 1wf6 n SER 130 Ca 0.16 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1wf6 n SER 130 Cb 0.48 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1wf6 n SER 130 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wf6 n SER 131 N -2.86 0.00 0.00 6.43 7.64 -1.26 -5.16 113.62 118.41 1wf6 n SER 131 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wf6 n SER 131 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wf6 n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64