#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf6 s SER 2 N 0.00 2.63 -0.30 1.61 0.15 -1.26 -5.10 113.70 111.44 1wf6 s SER 2 Ca 0.00 -0.63 -0.20 0.00 0.70 0.00 0.00 55.95 55.83 1wf6 s SER 2 Cb 0.00 -0.68 0.19 0.00 -1.71 0.00 0.00 66.02 63.83 1wf6 s SER 2 CO 0.00 -0.24 1.29 -0.55 1.20 0.00 0.00 173.24 174.94 1wf6 s SER 3 N 1.80 -0.11 -0.63 5.45 0.15 -1.26 -5.11 113.70 113.99 1wf6 s SER 3 Ca 0.01 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 1wf6 s SER 3 Cb -0.16 0.70 0.16 0.00 -1.71 0.00 0.00 66.02 65.01 1wf6 s SER 3 CO -0.07 -0.03 0.43 -0.83 1.20 0.00 0.00 173.24 173.94 1wf6 s GLY 4 N 0.66 2.53 -0.30 9.45 0.00 -1.26 -5.01 107.32 113.39 1wf6 s GLY 4 Ca -0.02 -3.30 -0.22 0.00 0.00 0.00 0.00 44.72 41.18 1wf6 s GLY 4 CO -0.12 1.09 1.39 -0.56 0.00 0.00 0.00 173.10 174.90 1wf6 s SER 5 N 0.51 -0.06 -0.88 1.64 0.01 -1.26 -5.09 113.70 108.56 1wf6 s SER 5 Ca 0.17 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 1wf6 s SER 5 Cb -0.21 0.38 0.22 0.00 0.21 0.00 0.00 66.02 66.63 1wf6 s SER 5 CO -0.03 -0.02 0.77 -0.44 0.41 0.00 0.00 173.24 173.93 1wf6 s SER 6 N 0.33 5.99 -0.08 2.44 0.01 -1.26 -5.00 113.70 116.13 1wf6 s SER 6 Ca 0.03 -3.67 -0.30 0.00 1.31 0.00 0.00 55.95 53.32 1wf6 s SER 6 Cb -0.04 -1.91 0.10 0.00 0.21 0.00 0.00 66.02 64.38 1wf6 s SER 6 CO -0.14 -0.20 0.85 -0.83 0.41 0.00 0.00 173.24 173.34 1wf6 s GLY 7 N -0.05 -0.42 -0.94 3.44 0.00 -1.26 -4.60 107.32 103.48 1wf6 s GLY 7 Ca 0.27 1.53 -0.25 0.00 0.00 0.00 0.00 44.72 46.27 1wf6 s GLY 7 CO -0.12 0.83 2.09 -0.45 0.00 0.00 0.00 173.10 175.45 1wf6 s SER 8 N -1.48 4.60 0.28 1.64 0.15 -1.26 -4.90 113.70 112.74 1wf6 s SER 8 Ca -0.03 -0.69 0.09 0.00 0.70 0.00 0.00 55.95 56.02 1wf6 s SER 8 Cb -0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1wf6 s SER 8 CO 0.01 -3.33 0.03 -0.70 1.20 0.00 0.00 173.24 170.46 1wf6 s GLU 9 N 7.57 2.31 -0.17 5.44 2.12 -1.26 -4.86 118.70 129.85 1wf6 s GLU 9 Ca 0.77 -1.46 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1wf6 s GLU 9 Cb -0.07 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.17 1wf6 s GLU 9 CO 0.06 0.30 0.12 0.43 -0.54 0.00 0.00 175.26 175.63 1wf6 n SER 10 N -0.95 -6.93 -3.55 -1.70 7.64 -1.26 -5.02 113.62 101.84 1wf6 n SER 10 Ca -0.06 0.63 -0.01 0.00 1.01 0.00 0.00 58.87 60.44 1wf6 n SER 10 Cb 0.60 -2.86 -0.06 0.00 -1.01 0.00 0.00 64.21 60.88 1wf6 n SER 10 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1wf6 s ILE 11 N -1.33 -0.18 -0.37 0.44 1.10 -1.26 -5.11 121.20 114.49 1wf6 s ILE 11 Ca 0.06 0.00 -0.05 0.00 -0.51 0.00 0.00 60.65 60.16 1wf6 s ILE 11 Cb -0.01 -1.00 0.21 0.00 0.15 0.00 0.00 42.46 41.81 1wf6 s ILE 11 CO 0.37 0.00 1.02 0.00 -2.11 0.00 0.00 174.94 174.23 1wf6 s ASN 13 N 1.13 1.59 0.36 0.00 2.20 -1.26 -5.07 114.94 113.89 1wf6 s ASN 13 Ca 0.23 -0.24 0.00 0.00 -0.94 0.00 0.00 52.86 51.91 1wf6 s ASN 13 Cb 0.09 0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 1wf6 s ASN 13 CO -0.10 -0.32 0.00 -0.24 -2.94 0.00 0.00 177.10 173.50 1wf6 n SER 14 N 5.31 -8.94 -4.77 3.54 2.88 -1.26 -4.88 113.62 105.51 1wf6 n SER 14 Ca -0.06 1.25 -0.37 0.00 -1.33 0.00 0.00 58.87 58.37 1wf6 n SER 14 Cb 0.49 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 1wf6 n SER 14 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wf6 s LEU 15 N -2.01 3.95 0.00 2.46 1.43 -1.26 -5.01 118.68 118.25 1wf6 s LEU 15 Ca 0.00 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1wf6 s LEU 15 Cb 0.00 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1wf6 s LEU 15 CO 0.00 -1.07 0.00 -3.20 0.23 0.00 0.00 176.35 172.31 1wf6 n ASN 16 N -0.67 0.00 -1.81 2.29 5.15 -1.26 -5.15 115.26 113.81 1wf6 n ASN 16 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1wf6 n ASN 16 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1wf6 n ASN 16 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wf6 n SER 17 N 0.00 -9.18 -3.63 1.20 7.64 -1.26 -5.08 113.62 103.31 1wf6 n SER 17 Ca 0.00 1.30 -0.08 0.00 1.01 0.00 0.00 58.87 61.10 1wf6 n SER 17 Cb 0.00 -4.84 -0.07 0.00 -1.01 0.00 0.00 64.21 58.29 1wf6 n SER 17 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1wf6 s LYS 18 N -2.11 0.45 0.15 1.43 -2.85 -1.26 -4.86 119.74 110.70 1wf6 s LYS 18 Ca 0.00 0.43 -0.11 0.00 -1.00 0.00 0.00 55.97 55.28 1wf6 s LYS 18 Cb 0.00 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 1wf6 s LYS 18 CO 0.00 -0.07 0.33 -0.51 0.10 0.00 0.00 175.35 175.20 1wf6 s LEU 19 N -0.07 0.79 0.43 2.77 1.43 0.29 -4.96 118.68 119.36 1wf6 s LEU 19 Ca 0.03 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.22 1wf6 s LEU 19 Cb -0.04 1.44 -0.12 0.00 0.03 0.00 0.00 46.19 47.49 1wf6 s LEU 19 CO -0.06 -0.89 0.50 -0.62 0.23 0.00 0.00 176.35 175.51 1wf6 n GLU 20 N -0.21 0.52 -0.92 1.70 1.02 -1.26 -4.51 120.64 116.98 1wf6 n GLU 20 Ca -0.10 0.19 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1wf6 n GLU 20 Cb 0.63 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1wf6 n GLU 20 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wf6 n PRO 21 N 0.61 2.43 -4.28 3.49 -0.04 -1.26 -4.66 135.00 131.29 1wf6 n PRO 21 Ca 0.11 -1.50 -0.23 0.00 -0.04 0.00 0.00 63.50 61.84 1wf6 n PRO 21 Cb 0.40 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 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 2.51 3.22 0.00 0.52 -4.23 -1.25 -4.37 115.64 112.05 1wf6 s THR 22 Ca 0.52 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1wf6 s THR 22 Cb 0.16 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1wf6 s THR 22 CO -0.03 -0.32 0.87 -0.11 -0.54 0.00 0.00 174.62 174.48 1wf6 n LEU 23 N -0.93 0.00 -0.65 4.79 -0.00 -1.26 -1.42 117.00 117.54 1wf6 n LEU 23 Ca -0.06 0.87 0.49 0.00 -0.00 0.00 0.00 56.01 57.31 1wf6 n LEU 23 Cb 0.60 -0.37 0.75 0.00 -0.00 0.00 0.00 43.42 44.40 1wf6 n LEU 23 CO 0.41 -0.37 1.36 -0.62 -0.00 0.00 0.00 177.39 178.17 1wf6 n GLU 24 N -1.83 0.00 -2.82 1.96 4.71 -1.26 0.10 120.64 121.50 1wf6 n GLU 24 Ca 0.00 0.99 -0.34 0.00 -0.01 0.00 0.00 57.16 57.80 1wf6 n GLU 24 Cb 0.00 -2.28 -0.01 0.00 -1.01 0.00 0.00 31.44 28.14 1wf6 n GLU 24 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1wf6 n ASN 25 N -3.74 5.82 -0.08 1.62 3.02 -0.50 -4.63 115.26 116.77 1wf6 n ASN 25 Ca 0.41 -3.68 -0.09 0.00 -0.03 0.00 0.00 54.58 51.19 1wf6 n ASN 25 Cb 1.84 -0.86 -0.16 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.10 0.18 0.02 3.41 0.00 0.28 -3.88 117.00 116.92 1wf6 n LEU 26 Ca 0.38 0.09 -0.13 0.00 0.00 0.00 0.00 56.01 56.35 1wf6 n LEU 26 Cb 0.33 0.42 -0.09 0.00 0.00 0.00 0.00 43.42 44.08 1wf6 n LEU 26 CO 0.43 0.46 0.60 -0.33 0.00 0.00 0.00 177.39 178.56 1wf6 h GLU 27 N 0.00 -0.08 -1.36 1.96 5.08 -1.82 -3.07 114.58 115.29 1wf6 h GLU 27 Ca -0.48 0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 57.53 1wf6 h GLU 27 Cb 2.17 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 31.28 1wf6 h GLU 27 CO 0.04 0.37 0.45 0.09 -1.00 0.00 0.00 179.01 178.96 1wf6 n ASN 28 N -4.91 5.98 -4.94 1.42 3.02 -1.26 -4.90 115.26 109.67 1wf6 n ASN 28 Ca -0.08 -3.10 -0.27 0.00 -0.03 0.00 0.00 54.58 51.09 1wf6 n ASN 28 Cb 0.25 -0.97 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 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 -2.02 4.31 -0.45 3.41 2.96 -1.16 0.10 118.68 125.82 1wf6 s LEU 29 Ca 0.34 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1wf6 s LEU 29 Cb 0.27 -3.00 0.12 0.00 0.50 0.00 0.00 46.19 44.08 1wf6 s LEU 29 CO 0.01 0.03 0.19 -0.62 -1.32 0.00 0.00 176.35 174.64 1wf6 s ASP 30 N -3.14 4.61 0.15 3.68 2.15 -1.26 -4.88 116.67 117.98 1wf6 s ASP 30 Ca 0.36 -2.62 0.16 0.00 0.43 0.00 0.00 52.55 50.88 1wf6 s ASP 30 Cb -0.11 -1.66 0.72 0.00 -0.30 0.00 0.00 42.92 41.56 1wf6 s ASP 30 CO 0.29 -0.32 1.48 0.55 -0.17 0.00 0.00 175.17 177.00 1wf6 n VAL 31 N 3.66 1.17 0.17 1.11 3.14 -1.26 -0.41 118.33 125.91 1wf6 n VAL 31 Ca 0.04 0.41 0.09 0.00 -2.96 0.00 0.00 64.34 61.92 1wf6 n VAL 31 Cb 0.37 -1.32 0.26 0.00 -1.06 0.00 0.00 33.84 32.09 1wf6 n VAL 31 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1wf6 n SER 32 N -1.89 3.09 -0.11 6.55 2.88 -1.26 -4.06 113.62 118.83 1wf6 n SER 32 Ca 0.01 -2.00 -0.23 0.00 -1.33 0.00 0.00 58.87 55.33 1wf6 n SER 32 Cb 0.12 -0.38 -0.12 0.00 -0.75 0.00 0.00 64.21 63.08 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 1.19 1.18 -1.71 -1.46 0.00 0.45 -4.93 120.51 115.25 1wf6 n ALA 33 Ca 0.19 -0.94 -0.57 0.00 0.00 0.00 0.00 53.44 52.13 1wf6 n ALA 33 Cb 0.49 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.75 2.04 1.43 0.00 3.72 -1.24 -4.81 117.46 114.87 1wf6 n PHE 34 Ca -0.44 0.53 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 1wf6 n PHE 34 Cb 0.93 -2.46 0.60 0.00 -0.94 0.00 0.00 39.48 37.61 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 5.32 0.80 -0.87 -1.08 6.02 -1.26 -4.92 117.38 121.38 1wf6 n GLN 35 Ca 0.26 -0.30 -0.36 0.00 -0.01 0.00 0.00 57.00 56.59 1wf6 n GLN 35 Cb 0.14 -1.49 0.09 0.00 1.02 0.00 0.00 30.24 29.99 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wf6 n ALA 36 N -0.84 -5.04 -1.74 -1.58 0.00 -1.24 -4.90 120.51 105.18 1wf6 n ALA 36 Ca 0.15 -1.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.01 1wf6 n ALA 36 Cb 0.28 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.60 3.59 0.00 0.00 0.04 -1.26 -4.91 135.00 129.85 1wf6 s PRO 37 Ca 0.45 1.25 0.13 0.00 0.04 0.00 0.00 61.00 62.87 1wf6 s PRO 37 Cb -0.02 -2.07 0.62 0.00 0.04 0.00 0.00 34.50 33.08 1wf6 s PRO 37 CO 0.68 -0.60 1.37 0.39 0.04 0.00 0.00 177.00 178.88 1wf6 n GLU 38 N -1.52 0.11 -0.07 4.56 1.02 -1.26 -1.19 120.64 122.30 1wf6 n GLU 38 Ca 0.09 0.21 0.09 0.00 -0.02 0.00 0.00 57.16 57.53 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 -1.37 2.31 -0.36 1.62 9.92 -1.18 -1.63 116.55 125.85 1wf6 n ASP 39 Ca 0.05 -3.01 -0.02 0.00 -0.53 0.00 0.00 54.79 51.28 1wf6 n ASP 39 Cb 0.12 -0.40 0.02 0.00 -0.64 0.00 0.00 41.12 40.23 1wf6 n ASP 39 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1wf6 n LEU 40 N -1.37 -0.65 -3.29 0.64 7.94 0.13 0.39 117.00 120.80 1wf6 n LEU 40 Ca 0.15 1.63 -0.38 0.00 -1.11 0.00 0.00 56.01 56.30 1wf6 n LEU 40 Cb 0.61 -0.36 0.01 0.00 0.53 0.00 0.00 43.42 44.22 1wf6 n LEU 40 CO 0.01 -1.45 1.18 0.18 -1.11 0.00 0.00 177.39 176.20 1wf6 n LEU 41 N -5.35 6.78 -4.70 -1.96 4.77 0.50 -4.78 117.00 112.26 1wf6 n LEU 41 Ca 0.09 -5.30 -0.42 0.00 -0.03 0.00 0.00 56.01 50.35 1wf6 n LEU 41 Cb 0.36 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1wf6 n LEU 41 CO -0.13 2.04 1.31 -0.62 -1.33 0.00 0.00 177.39 178.66 1wf6 s ASP 42 N -1.76 6.55 -1.56 -1.43 -1.08 0.16 -1.13 116.67 116.42 1wf6 s ASP 42 Ca 0.44 2.61 -0.13 0.00 -0.52 0.00 0.00 52.55 54.95 1wf6 s ASP 42 Cb 0.28 -2.58 0.10 0.00 -1.46 0.00 0.00 42.92 39.25 1wf6 s ASP 42 CO -0.20 -0.88 0.84 0.61 0.52 0.00 0.00 175.17 176.06 1wf6 n GLY 43 N 3.92 -0.44 3.06 2.66 0.00 -1.26 -4.94 105.19 108.20 1wf6 n GLY 43 Ca 0.15 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 1.11 3.58 0.15 0.00 0.52 -1.26 -1.01 118.95 122.03 1wf6 s ARG 45 Ca -0.08 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 54.98 1wf6 s ARG 45 Cb -0.20 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.41 1wf6 s ARG 45 CO -0.05 -0.64 -0.11 0.42 0.02 0.00 0.00 175.30 174.94 1wf6 s ILE 46 N 2.32 3.17 -0.18 1.52 1.01 0.35 0.26 121.20 129.64 1wf6 s ILE 46 Ca 0.17 -1.54 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 1wf6 s ILE 46 Cb -0.16 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1wf6 s ILE 46 CO 0.13 -0.02 -0.04 -0.47 0.00 0.00 0.00 174.94 174.55 1wf6 s TYR 47 N -1.48 2.99 -0.28 3.97 5.04 0.55 0.25 117.35 128.39 1wf6 s TYR 47 Ca 0.23 -0.56 -0.20 0.00 -2.44 0.00 0.00 57.07 54.10 1wf6 s TYR 47 Cb -0.10 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1wf6 s TYR 47 CO 0.14 -0.26 0.60 -0.51 -1.34 0.00 0.00 175.55 174.18 1wf6 s LEU 48 N 0.87 4.10 -0.02 6.97 1.43 -1.21 -0.98 118.68 129.85 1wf6 s LEU 48 Ca -0.01 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1wf6 s LEU 48 Cb -0.15 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1wf6 s LEU 48 CO 0.01 -0.40 -0.13 0.00 0.23 0.00 0.00 176.35 176.07 1wf6 n GLY 50 N 2.94 -0.66 3.19 0.00 0.00 -1.24 -1.81 105.19 107.61 1wf6 n GLY 50 Ca -0.16 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.24 -0.79 -0.14 1.61 0.08 -1.26 -3.79 117.98 110.45 1wf6 s PHE 51 Ca 0.28 1.38 -0.06 0.00 0.12 0.00 0.00 56.93 58.65 1wf6 s PHE 51 Cb -0.04 0.24 0.06 0.00 -0.57 0.00 0.00 43.02 42.72 1wf6 s PHE 51 CO 0.54 -0.52 0.29 -1.12 -0.10 0.00 0.00 175.22 174.32 1wf6 s SER 52 N 2.59 0.06 0.00 1.36 0.01 -1.26 -4.69 113.70 111.77 1wf6 s SER 52 Ca 0.01 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1wf6 s SER 52 Cb -0.13 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1wf6 s SER 52 CO -0.13 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1wf6 n GLY 53 N 5.02 0.63 0.10 3.44 0.00 -1.26 -4.68 105.19 108.44 1wf6 n GLY 53 Ca -0.12 -1.16 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 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 0.54 -0.34 1.61 1.74 -1.26 -3.29 116.66 115.66 1wf6 n ARG 54 Ca 0.00 0.56 0.32 0.00 -0.77 0.00 0.00 57.85 57.96 1wf6 n ARG 54 Cb 0.00 -1.73 0.59 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.03 0.00 5.56 1.57 -1.83 0.91 116.57 121.81 1wf6 h LYS 55 Ca -0.28 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1wf6 h LYS 55 Cb 1.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1wf6 h LYS 55 CO -0.17 0.02 -0.00 1.25 -0.57 0.00 0.00 179.45 179.97 1wf6 h LEU 56 N 0.03 -0.00 -0.94 2.94 5.85 -1.84 -2.67 115.31 118.68 1wf6 h LEU 56 Ca 0.84 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.91 1wf6 h LEU 56 Cb 2.28 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 43.14 1wf6 h LEU 56 CO -0.72 -0.00 0.33 -0.67 -0.34 0.00 0.00 178.44 177.04 1wf6 n ASP 57 N -2.02 0.17 0.12 1.25 -0.08 -0.25 0.30 116.55 116.04 1wf6 n ASP 57 Ca -0.00 1.58 -0.10 0.00 -1.51 0.00 0.00 54.79 54.76 1wf6 n ASP 57 Cb 0.00 -0.70 -0.05 0.00 2.34 0.00 0.00 41.12 42.71 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 -0.49 -0.62 -0.67 1.79 0.75 -1.73 116.57 115.60 1wf6 h LYS 58 Ca 0.72 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 59.34 1wf6 h LYS 58 Cb 1.77 0.11 -0.12 0.00 -1.58 0.00 0.00 32.23 32.41 1wf6 h LYS 58 CO -0.78 -0.32 -0.20 -0.07 -1.08 0.00 0.00 179.45 176.99 1wf6 h LEU 59 N -0.50 -0.73 -1.83 2.94 3.38 0.22 1.34 115.31 120.13 1wf6 h LEU 59 Ca -0.02 0.20 0.32 0.00 0.09 0.00 0.00 57.88 58.46 1wf6 h LEU 59 Cb 0.46 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1wf6 h LEU 59 CO -0.08 -0.24 0.91 0.03 0.09 0.00 0.00 178.44 179.15 1wf6 h ARG 60 N -0.05 0.00 0.03 1.13 3.08 -0.51 1.20 114.38 119.26 1wf6 h ARG 60 Ca 0.29 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.97 1wf6 h ARG 60 Cb 0.49 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1wf6 h ARG 60 CO -0.66 0.00 -2.22 0.54 -1.07 0.00 0.00 179.97 176.56 1wf6 n ARG 61 N -3.88 0.69 0.31 0.04 1.74 0.39 -3.67 116.66 112.27 1wf6 n ARG 61 Ca 0.24 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 57.36 1wf6 n ARG 61 Cb 1.27 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 31.04 1wf6 n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wf6 h LEU 62 N 0.02 -0.71 -0.83 0.55 4.07 0.54 0.49 115.31 119.43 1wf6 h LEU 62 Ca -0.49 0.02 0.19 0.00 0.08 0.00 0.00 57.88 57.69 1wf6 h LEU 62 Cb 2.03 0.18 -0.12 0.00 1.08 0.00 0.00 40.66 43.83 1wf6 h LEU 62 CO 0.01 -0.34 0.31 0.40 -1.08 0.00 0.00 178.44 177.74 1wf6 h ILE 63 N -1.16 0.50 -0.55 1.22 2.04 0.94 0.51 117.51 121.01 1wf6 h ILE 63 Ca -0.09 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1wf6 h ILE 63 Cb 0.64 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1wf6 h ILE 63 CO 0.14 0.07 -0.00 -1.13 0.00 0.00 0.00 178.15 177.23 1wf6 h ASN 64 N 0.37 0.96 -0.29 1.72 -0.73 -1.62 0.33 115.58 116.32 1wf6 h ASN 64 Ca 0.50 -0.31 0.07 0.00 1.87 0.00 0.00 56.30 58.43 1wf6 h ASN 64 Cb 0.90 -0.26 -0.07 0.00 0.27 0.00 0.00 38.32 39.16 1wf6 h ASN 64 CO -0.51 1.03 -0.19 -1.28 -0.37 0.00 0.00 177.43 176.11 1wf6 h SER 65 N 0.86 -0.62 0.16 1.15 0.87 0.49 0.60 113.55 117.07 1wf6 h SER 65 Ca 0.16 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1wf6 h SER 65 Cb 0.54 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1wf6 h SER 65 CO 0.03 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 176.71 1wf6 n GLY 66 N -1.35 -0.75 2.02 5.77 0.00 -0.27 -4.04 105.19 106.57 1wf6 n GLY 66 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.27 2.87 3.11 -0.02 0.00 0.21 0.19 105.19 111.82 1wf6 n GLY 67 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.57 2.85 -0.02 0.00 0.11 -4.64 105.19 98.92 1wf6 n GLY 68 Ca 0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.12 0.69 -0.07 1.61 1.01 -0.18 -4.05 120.40 117.28 1wf6 s VAL 69 Ca 0.44 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 1wf6 s VAL 69 Cb -0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1wf6 s VAL 69 CO 0.47 0.31 0.59 0.00 0.00 0.00 0.00 175.10 176.47 1wf6 s ARG 70 N 1.70 4.37 -0.30 2.72 1.70 -1.25 -0.50 118.95 127.39 1wf6 s ARG 70 Ca 0.03 0.68 -0.10 0.00 -0.47 0.00 0.00 55.73 55.86 1wf6 s ARG 70 Cb -0.13 -3.42 -0.02 0.00 -0.57 0.00 0.00 34.95 30.81 1wf6 s ARG 70 CO -0.06 0.17 0.16 -0.06 -1.08 0.00 0.00 175.30 174.43 1wf6 s PHE 71 N 0.52 3.18 0.46 5.89 0.40 0.14 -4.95 117.98 123.61 1wf6 s PHE 71 Ca 0.32 -0.38 0.13 0.00 -0.60 0.00 0.00 56.93 56.40 1wf6 s PHE 71 Cb -0.17 -2.36 1.07 0.00 0.51 0.00 0.00 43.02 42.07 1wf6 s PHE 71 CO 0.15 -0.38 2.04 -0.97 0.70 0.00 0.00 175.22 176.76 1wf6 h ASN 72 N 8.36 0.28 -3.95 1.36 -1.24 -1.89 -3.20 115.58 115.30 1wf6 h ASN 72 Ca -0.33 -0.00 -0.63 0.00 0.71 0.00 0.00 56.30 56.05 1wf6 h ASN 72 Cb 1.16 -0.06 -0.31 0.00 0.73 0.00 0.00 38.32 39.83 1wf6 h ASN 72 CO 0.60 0.19 -0.86 -1.10 -1.29 0.00 0.00 177.43 174.97 1wf6 s GLN 73 N -5.31 2.18 0.41 6.67 -0.21 -1.26 -4.85 119.66 117.28 1wf6 s GLN 73 Ca -0.07 -0.76 -0.24 0.00 0.02 0.00 0.00 55.36 54.31 1wf6 s GLN 73 Cb 0.18 -1.86 -0.09 0.00 1.00 0.00 0.00 33.01 32.24 1wf6 s GLN 73 CO 0.72 0.31 1.07 -1.17 -2.12 0.00 0.00 175.29 174.10 1wf6 s LEU 74 N -0.06 4.12 0.00 2.90 0.20 -1.26 -4.94 118.68 119.64 1wf6 s LEU 74 Ca -0.04 2.08 0.00 0.00 0.69 0.00 0.00 54.13 56.86 1wf6 s LEU 74 Cb -0.13 -4.19 0.00 0.00 -0.43 0.00 0.00 46.19 41.44 1wf6 s LEU 74 CO 0.03 -0.55 0.00 -0.46 -0.29 0.00 0.00 176.35 175.08 1wf6 n ASN 75 N -0.13 0.00 -4.05 3.68 6.94 -1.26 -4.94 115.26 115.50 1wf6 n ASN 75 Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.29 1wf6 n ASN 75 Cb 0.49 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wf6 n GLU 76 N -0.14 0.68 0.00 -3.83 1.02 -1.26 -2.24 120.64 114.87 1wf6 n GLU 76 Ca 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 1wf6 n GLU 76 Cb 0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.17 1wf6 n GLU 76 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wf6 n ASP 77 N 12.91 0.00 -4.64 1.62 8.00 -1.26 -5.10 116.55 128.08 1wf6 n ASP 77 Ca 0.45 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.53 1wf6 n ASP 77 Cb 0.44 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1wf6 n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wf6 s VAL 78 N -1.13 4.05 -0.48 2.53 0.11 -0.95 -4.48 120.40 120.06 1wf6 s VAL 78 Ca 0.00 1.23 0.24 0.00 -2.93 0.00 0.00 61.98 60.52 1wf6 s VAL 78 Cb 0.00 -3.94 0.19 0.00 -1.53 0.00 0.00 36.38 31.10 1wf6 s VAL 78 CO 0.00 -0.27 1.44 0.71 -3.33 0.00 0.00 175.10 173.66 1wf6 h THR 79 N 5.77 0.00 -3.62 5.04 1.35 0.32 -3.45 112.91 118.32 1wf6 h THR 79 Ca -0.29 -0.81 -0.17 0.00 -0.55 0.00 0.00 66.41 64.59 1wf6 h THR 79 Cb 1.12 1.61 -0.22 0.00 -1.73 0.00 0.00 68.15 68.92 1wf6 h THR 79 CO 0.99 0.00 -0.57 -1.00 -0.25 0.00 0.00 175.52 174.69 1wf6 s HIS 80 N -3.22 0.06 -0.19 4.73 3.76 -1.03 -3.44 115.29 115.95 1wf6 s HIS 80 Ca 0.06 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1wf6 s HIS 80 Cb 0.09 -0.06 0.03 0.00 1.11 0.00 0.00 32.58 33.75 1wf6 s HIS 80 CO 0.70 -0.21 -0.16 0.08 -0.85 0.00 0.00 174.74 174.30 1wf6 s VAL 81 N -1.05 1.96 -0.54 -0.90 1.01 0.49 -0.33 120.40 121.04 1wf6 s VAL 81 Ca -0.11 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 1wf6 s VAL 81 Cb -0.07 -1.87 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1wf6 s VAL 81 CO 0.01 0.37 0.56 -0.63 0.00 0.00 0.00 175.10 175.40 1wf6 s ILE 82 N 1.29 5.06 -0.10 2.22 -1.09 -0.15 -0.12 121.20 128.31 1wf6 s ILE 82 Ca 0.01 -1.15 -0.17 0.00 -2.23 0.00 0.00 60.65 57.11 1wf6 s ILE 82 Cb -0.15 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.34 1wf6 s ILE 82 CO -0.11 -0.89 0.43 -0.69 -1.23 0.00 0.00 174.94 172.46 1wf6 s VAL 83 N 2.06 5.17 -0.15 2.92 1.01 0.43 -2.27 120.40 129.57 1wf6 s VAL 83 Ca 0.07 0.87 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 1wf6 s VAL 83 Cb -0.26 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wf6 s VAL 83 CO 0.06 0.39 -0.26 0.61 0.00 0.00 0.00 175.10 175.89 1wf6 n GLY 84 N 3.00 -0.65 0.05 4.51 0.00 -0.75 -3.96 105.19 107.39 1wf6 n GLY 84 Ca -0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.25 3.24 -3.62 1.61 -0.08 -1.25 -5.00 116.55 107.21 1wf6 n ASP 85 Ca -0.10 -0.04 -0.03 0.00 -1.51 0.00 0.00 54.79 53.10 1wf6 n ASP 85 Cb 0.38 -0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.83 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 -2.19 -0.15 -0.32 -0.67 -0.85 -1.26 -5.09 117.35 106.82 1wf6 s TYR 86 Ca -0.11 0.00 -0.02 0.00 -0.52 0.00 0.00 57.07 56.42 1wf6 s TYR 86 Cb 0.03 0.56 0.11 0.00 0.38 0.00 0.00 41.96 43.04 1wf6 s TYR 86 CO 0.24 -0.45 0.14 0.16 -1.52 0.00 0.00 175.55 174.12 1wf6 s ASP 87 N -2.67 3.59 -0.01 -0.18 -4.77 -1.26 -3.59 116.67 107.78 1wf6 s ASP 87 Ca 0.11 -1.64 0.02 0.00 -3.30 0.00 0.00 52.55 47.74 1wf6 s ASP 87 Cb 0.01 -0.55 -0.25 0.00 -1.09 0.00 0.00 42.92 41.03 1wf6 s ASP 87 CO -0.04 -0.40 0.81 0.44 0.70 0.00 0.00 175.17 176.69 1wf6 h ASP 88 N 7.96 0.23 -0.87 2.11 3.32 -2.00 -3.33 116.42 123.84 1wf6 h ASP 88 Ca -0.12 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1wf6 h ASP 88 Cb 1.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 1wf6 h ASP 88 CO 0.42 1.31 0.44 -0.08 -1.72 0.00 0.00 179.24 179.61 1wf6 h GLU 89 N 0.04 1.24 -0.17 3.56 4.57 -2.00 -2.97 114.58 118.85 1wf6 h GLU 89 Ca -0.24 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 57.80 1wf6 h GLU 89 Cb 1.98 -0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 30.28 1wf6 h GLU 89 CO 0.13 0.93 -0.49 1.25 -1.18 0.00 0.00 179.01 179.65 1wf6 h LEU 90 N 1.24 -1.59 -0.96 1.64 5.85 -1.98 0.34 115.31 119.84 1wf6 h LEU 90 Ca 0.30 0.19 0.31 0.00 0.84 0.00 0.00 57.88 59.52 1wf6 h LEU 90 Cb 0.08 0.63 -0.16 0.00 0.37 0.00 0.00 40.66 41.58 1wf6 h LEU 90 CO -0.04 -0.42 0.35 0.11 -0.34 0.00 0.00 178.44 178.09 1wf6 h LYS 91 N -0.49 0.14 -0.18 1.25 1.57 -1.67 0.87 116.57 118.06 1wf6 h LYS 91 Ca 0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1wf6 h LYS 91 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1wf6 h LYS 91 CO -0.42 0.09 0.05 1.96 -0.57 0.00 0.00 179.45 180.56 1wf6 h GLN 92 N 0.14 0.27 0.00 3.15 1.08 -0.48 -2.00 115.11 117.28 1wf6 h GLN 92 Ca 0.68 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.82 1wf6 h GLN 92 Cb 1.55 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1wf6 h GLN 92 CO -0.73 0.39 0.02 0.35 -0.95 0.00 0.00 178.83 177.91 1wf6 h PHE 93 N 0.11 0.00 0.00 2.96 3.57 0.42 0.72 116.94 124.71 1wf6 h PHE 93 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1wf6 h PHE 93 Cb 0.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1wf6 h PHE 93 CO 0.00 0.00 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.40 1wf6 h TRP 94 N 0.00 0.00 -0.45 0.41 6.55 -0.16 -2.79 115.95 119.52 1wf6 h TRP 94 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wf6 h TRP 94 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1wf6 h TRP 94 CO 0.00 0.00 0.00 -1.71 -1.05 0.00 0.00 178.44 175.68 1wf6 n ASN 95 N -2.93 3.23 0.00 -3.49 5.15 0.23 -4.73 115.26 112.72 1wf6 n ASN 95 Ca 0.03 -1.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.05 1wf6 n ASN 95 Cb 0.52 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 0.94 0.00 -4.09 1.20 5.02 -0.17 -5.06 118.16 116.00 1wf6 n LYS 96 Ca 0.16 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.22 1wf6 n LYS 96 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.07 5.63 -0.74 4.39 0.01 -1.06 -5.06 113.70 116.95 1wf6 s SER 97 Ca 0.00 -0.17 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 1wf6 s SER 97 Cb 0.00 -1.48 0.09 0.00 0.21 0.00 0.00 66.02 64.84 1wf6 s SER 97 CO 0.00 -0.01 1.01 0.00 0.41 0.00 0.00 173.24 174.66 1wf6 s ALA 98 N -1.99 3.17 -0.29 1.44 0.00 -1.26 -4.49 121.76 118.34 1wf6 s ALA 98 Ca 0.32 -2.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.03 1wf6 s ALA 98 Cb -0.09 -3.92 0.13 0.00 0.00 0.00 0.00 23.12 19.24 1wf6 s ALA 98 CO 0.25 -2.85 0.92 -1.58 0.00 0.00 0.00 175.76 172.50 1wf6 s HIS 99 N 3.73 -0.67 -0.51 0.00 5.04 -1.26 -5.10 115.29 116.51 1wf6 s HIS 99 Ca 0.25 1.35 -0.01 0.00 -1.54 0.00 0.00 55.06 55.11 1wf6 s HIS 99 Cb -0.14 0.40 0.13 0.00 0.04 0.00 0.00 32.58 33.02 1wf6 s HIS 99 CO 0.05 -0.33 0.29 0.50 -2.34 0.00 0.00 174.74 172.91 1wf6 s ARG 100 N 1.34 2.17 1.12 2.88 3.00 -1.26 -4.83 118.95 123.37 1wf6 s ARG 100 Ca -0.09 -2.28 -0.19 0.00 -1.00 0.00 0.00 55.73 52.17 1wf6 s ARG 100 Cb -0.04 -3.55 0.27 0.00 0.00 0.00 0.00 34.95 31.63 1wf6 s ARG 100 CO -0.15 -1.11 1.24 -0.35 0.00 0.00 0.00 175.30 174.93 1wf6 n PRO 101 N 3.80 -2.24 -3.18 5.12 -0.04 -1.26 -5.00 135.00 132.21 1wf6 n PRO 101 Ca 0.04 -1.94 -0.42 0.00 -0.04 0.00 0.00 63.50 61.14 1wf6 n PRO 101 Cb 0.38 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1wf6 n PRO 101 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wf6 s HIS 102 N -3.50 3.15 -0.64 0.54 3.76 -1.22 -4.86 115.29 112.52 1wf6 s HIS 102 Ca 0.74 0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 55.63 1wf6 s HIS 102 Cb -0.04 -3.07 0.10 0.00 1.11 0.00 0.00 32.58 30.68 1wf6 s HIS 102 CO 0.55 -0.63 0.80 0.08 -0.85 0.00 0.00 174.74 174.68 1wf6 s VAL 103 N 2.56 4.72 0.39 -0.90 1.01 -1.25 0.18 120.40 127.12 1wf6 s VAL 103 Ca 0.21 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1wf6 s VAL 103 Cb -0.15 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1wf6 s VAL 103 CO 0.15 -1.23 0.13 0.68 0.00 0.00 0.00 175.10 174.82 1wf6 s VAL 104 N 2.92 0.61 0.08 2.92 -7.23 0.83 0.32 120.40 120.84 1wf6 s VAL 104 Ca 0.16 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1wf6 s VAL 104 Cb -0.21 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1wf6 s VAL 104 CO 0.05 0.00 0.21 -0.83 -0.31 0.00 0.00 175.10 174.22 1wf6 s GLY 105 N -3.58 2.09 0.38 2.32 0.00 -0.91 0.16 107.32 107.80 1wf6 s GLY 105 Ca 0.26 -0.89 0.20 0.00 0.00 0.00 0.00 44.72 44.29 1wf6 s GLY 105 CO 0.15 -0.88 1.66 0.00 0.00 0.00 0.00 173.10 174.04 1wf6 h ALA 106 N 2.95 2.26 -0.93 3.20 0.00 -1.86 0.39 119.26 125.26 1wf6 h ALA 106 Ca -0.46 0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.81 1wf6 h ALA 106 Cb 1.17 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.94 1wf6 h ALA 106 CO 0.74 -0.85 -0.16 1.17 0.00 0.00 0.00 179.25 180.15 1wf6 n LYS 107 N -4.88 -0.08 0.26 0.00 4.81 -1.26 0.11 118.16 117.12 1wf6 n LYS 107 Ca 0.33 1.43 -0.17 0.00 -0.87 0.00 0.00 58.31 59.03 1wf6 n LYS 107 Cb 1.12 -2.18 -0.09 0.00 0.02 0.00 0.00 35.03 33.90 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 -1.24 -0.85 5.64 7.01 -0.57 0.39 115.95 126.33 1wf6 h TRP 108 Ca 0.48 0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.71 1wf6 h TRP 108 Cb 0.82 0.48 -0.14 0.00 -2.10 0.00 0.00 29.16 28.22 1wf6 h TRP 108 CO -0.64 -0.61 0.12 1.25 -2.79 0.00 0.00 178.44 175.77 1wf6 h LEU 109 N -0.90 -0.20 0.34 0.65 6.46 0.73 0.34 115.31 122.74 1wf6 h LEU 109 Ca -0.04 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1wf6 h LEU 109 Cb 0.80 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1wf6 h LEU 109 CO -0.07 -0.20 -0.31 -0.07 -0.62 0.00 0.00 178.44 177.17 1wf6 h LEU 110 N 0.14 -0.83 -0.92 2.25 3.38 0.59 -1.84 115.31 118.08 1wf6 h LEU 110 Ca 0.51 0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.79 1wf6 h LEU 110 Cb 1.00 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.88 1wf6 h LEU 110 CO -0.70 -0.42 0.40 -0.33 0.09 0.00 0.00 178.44 177.48 1wf6 h GLU 111 N -0.64 0.33 -0.70 1.13 4.39 0.80 1.13 114.58 121.03 1wf6 h GLU 111 Ca -0.04 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.77 1wf6 h GLU 111 Cb 0.54 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 1wf6 h GLU 111 CO -0.02 0.22 0.19 0.00 -1.16 0.00 0.00 179.01 178.25 1wf6 h PHE 113 N 0.31 0.18 -0.85 0.00 0.04 0.13 -0.08 116.94 116.68 1wf6 h PHE 113 Ca 0.38 -0.12 0.14 0.00 2.80 0.00 0.00 57.97 61.17 1wf6 h PHE 113 Cb 0.60 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.68 1wf6 h PHE 113 CO -0.23 1.04 0.55 1.03 -0.60 0.00 0.00 178.31 180.10 1wf6 h SER 114 N -0.72 0.58 1.16 2.17 0.87 0.15 0.28 113.55 118.04 1wf6 h SER 114 Ca -0.04 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1wf6 h SER 114 Cb 1.13 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1wf6 h SER 114 CO 0.05 0.30 -0.88 0.11 -0.53 0.00 0.00 176.83 175.88 1wf6 h LYS 115 N 0.62 0.00 0.00 2.24 1.79 0.21 -3.46 116.57 117.97 1wf6 h LYS 115 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1wf6 h LYS 115 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1wf6 h LYS 115 CO -0.18 0.50 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 1wf6 n GLY 116 N 1.30 1.80 2.92 3.86 0.00 0.99 -4.96 105.19 111.10 1wf6 n GLY 116 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 0.30 0.32 1.61 1.13 -0.20 -4.17 117.35 114.00 1wf6 s TYR 117 Ca 0.00 -0.05 -0.28 0.00 -1.41 0.00 0.00 57.07 55.33 1wf6 s TYR 117 Cb 0.00 -0.20 -0.13 0.00 -1.10 0.00 0.00 41.96 40.53 1wf6 s TYR 117 CO 0.00 -0.01 1.16 -1.33 -2.51 0.00 0.00 175.55 172.86 1wf6 n MET 118 N 3.03 1.77 -4.42 -3.49 2.81 -1.26 -4.42 117.12 111.15 1wf6 n MET 118 Ca -0.13 0.62 -0.30 0.00 -1.81 0.00 0.00 57.70 56.08 1wf6 n MET 118 Cb 0.59 -2.11 -0.05 0.00 -0.71 0.00 0.00 33.22 30.93 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 -0.36 2.52 0.50 4.03 1.43 -1.26 -5.00 118.68 120.53 1wf6 s LEU 119 Ca 0.57 -1.46 -0.21 0.00 -1.03 0.00 0.00 54.13 51.99 1wf6 s LEU 119 Cb -0.63 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.58 1wf6 s LEU 119 CO 0.61 -0.90 1.15 -0.44 0.23 0.00 0.00 176.35 177.01 1wf6 s SER 120 N -4.01 5.96 -0.05 2.29 0.01 -1.26 -4.95 113.70 111.69 1wf6 s SER 120 Ca 0.19 2.26 0.20 0.00 1.31 0.00 0.00 55.95 59.91 1wf6 s SER 120 Cb 0.01 -2.59 -0.25 0.00 0.21 0.00 0.00 66.02 63.39 1wf6 s SER 120 CO 0.11 -1.06 0.45 -1.84 0.41 0.00 0.00 173.24 171.31 1wf6 n GLU 121 N -0.84 0.66 -0.22 12.44 -0.00 -1.26 -4.33 120.64 127.09 1wf6 n GLU 121 Ca 0.09 -0.04 0.02 0.00 -0.00 0.00 0.00 57.16 57.23 1wf6 n GLU 121 Cb 0.49 -1.59 0.12 0.00 -0.00 0.00 0.00 31.44 30.46 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1wf6 h GLU 122 N 0.00 0.13 0.00 3.44 5.08 -1.95 1.46 114.58 122.73 1wf6 h GLU 122 Ca -0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1wf6 h GLU 122 Cb 1.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1wf6 h GLU 122 CO 0.02 0.08 0.00 -0.35 -1.00 0.00 0.00 179.01 177.76 1wf6 n PRO 123 N -5.28 0.75 -0.82 2.33 -0.04 -1.26 -2.44 135.00 128.24 1wf6 n PRO 123 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1wf6 n PRO 123 Cb 0.39 -1.31 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.81 0.00 -1.58 0.54 4.01 0.46 -5.09 117.16 114.69 1wf6 n TYR 124 Ca 0.11 -0.51 -0.33 0.00 -0.16 0.00 0.00 57.90 57.01 1wf6 n TYR 124 Cb 0.05 -0.13 0.07 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.80 2.83 -0.30 -0.72 -1.09 0.10 -2.13 121.20 119.09 1wf6 s ILE 125 Ca 0.21 0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.99 1wf6 s ILE 125 Cb 0.23 -2.91 0.04 0.00 -1.58 0.00 0.00 42.46 38.24 1wf6 s ILE 125 CO -0.07 -0.24 0.02 -2.28 -1.23 0.00 0.00 174.94 171.14 1wf6 s HIS 126 N -2.22 3.22 0.25 3.97 2.46 0.15 -4.74 115.29 118.37 1wf6 s HIS 126 Ca 0.70 -1.64 -0.15 0.00 0.47 0.00 0.00 55.06 54.43 1wf6 s HIS 126 Cb -0.24 -2.15 -0.08 0.00 -0.13 0.00 0.00 32.58 29.98 1wf6 s HIS 126 CO 0.44 -0.75 0.68 0.45 -2.47 0.00 0.00 174.74 173.08 1wf6 s SER 127 N 1.32 6.84 0.00 9.88 0.15 -1.26 -4.91 113.70 125.72 1wf6 s SER 127 Ca -0.03 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1wf6 s SER 127 Cb -0.19 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wf6 s SER 127 CO -0.01 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1wf6 n GLY 128 N 0.15 -0.16 0.91 9.45 0.00 -1.26 -5.11 105.19 109.17 1wf6 n GLY 128 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1wf6 n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wf6 n PRO 129 N -1.80 -0.92 -3.93 1.61 -0.04 -1.26 -5.11 135.00 123.55 1wf6 n PRO 129 Ca 0.00 -0.47 -0.08 0.00 -0.04 0.00 0.00 63.50 62.91 1wf6 n PRO 129 Cb 0.00 -0.37 -0.08 0.00 -0.04 0.00 0.00 33.50 33.01 1wf6 n PRO 129 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wf6 s SER 130 N -2.22 0.21 0.23 3.54 1.04 -1.26 -5.18 113.70 110.07 1wf6 s SER 130 Ca 0.18 -0.77 0.06 0.00 0.48 0.00 0.00 55.95 55.90 1wf6 s SER 130 Cb -0.01 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 1wf6 s SER 130 CO 0.13 -0.71 -0.08 -0.55 0.98 0.00 0.00 173.24 173.01 1wf6 s SER 131 N -2.89 2.37 0.00 7.02 0.15 -1.26 -5.33 113.70 113.76 1wf6 s SER 131 Ca 0.07 -1.11 0.16 0.00 0.70 0.00 0.00 55.95 55.77 1wf6 s SER 131 Cb 0.06 -0.10 0.97 0.00 -1.71 0.00 0.00 66.02 65.24 1wf6 s SER 131 CO -0.10 -0.32 1.38 0.61 1.20 0.00 0.00 173.24 176.02