#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf6 n SER 2 N 0.00 0.00 -3.74 1.61 7.64 -1.26 -5.19 113.62 112.68 1wf6 n SER 2 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1wf6 n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1wf6 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf6 s SER 3 N 0.00 1.22 0.35 6.43 0.01 -1.26 -5.18 113.70 115.27 1wf6 s SER 3 Ca 0.00 -1.61 -0.04 0.00 1.31 0.00 0.00 55.95 55.61 1wf6 s SER 3 Cb 0.00 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.71 1wf6 s SER 3 CO 0.00 -0.96 0.51 -0.83 0.41 0.00 0.00 173.24 172.37 1wf6 s GLY 4 N -3.32 1.36 0.04 3.44 0.00 -1.26 -5.19 107.32 102.40 1wf6 s GLY 4 Ca 0.39 -1.43 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 1wf6 s GLY 4 CO 0.21 -0.92 1.05 -1.35 0.00 0.00 0.00 173.10 172.09 1wf6 s SER 5 N -3.22 -0.19 0.27 1.64 1.04 -1.26 -5.19 113.70 106.80 1wf6 s SER 5 Ca 0.29 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.32 1wf6 s SER 5 Cb -0.01 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1wf6 s SER 5 CO 0.19 -0.63 0.64 -0.44 0.98 0.00 0.00 173.24 173.99 1wf6 s SER 6 N -2.77 -0.21 0.00 7.02 0.01 -1.26 -5.18 113.70 111.31 1wf6 s SER 6 Ca 0.11 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wf6 s SER 6 Cb 0.00 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1wf6 s SER 6 CO -0.02 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.96 1wf6 n GLY 7 N -0.43 5.41 0.00 3.44 0.00 -1.26 -5.19 105.19 107.16 1wf6 n GLY 7 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1wf6 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf6 n SER 8 N 0.00 0.00 -4.13 1.61 7.64 -1.26 -5.18 113.62 112.30 1wf6 n SER 8 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1wf6 n SER 8 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wf6 n SER 8 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wf6 s GLU 9 N -2.00 0.73 -0.23 1.43 2.56 -1.26 -5.14 118.70 114.79 1wf6 s GLU 9 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 54.97 53.91 1wf6 s GLU 9 Cb 0.00 -0.43 -0.00 0.00 2.00 0.00 0.00 34.13 35.70 1wf6 s GLU 9 CO 0.00 0.07 -0.03 0.45 -0.56 0.00 0.00 175.26 175.19 1wf6 s SER 10 N -2.15 4.42 -0.01 -1.70 0.15 -1.26 -5.09 113.70 108.06 1wf6 s SER 10 Ca 0.00 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.24 1wf6 s SER 10 Cb -0.05 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.49 1wf6 s SER 10 CO -0.00 -0.05 -0.15 0.27 1.20 0.00 0.00 173.24 174.51 1wf6 s ILE 11 N 1.47 1.22 0.53 6.45 -4.36 -1.26 -5.06 121.20 120.19 1wf6 s ILE 11 Ca 0.05 -0.68 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 1wf6 s ILE 11 Cb -0.15 -1.02 0.00 0.00 1.25 0.00 0.00 42.46 42.55 1wf6 s ILE 11 CO -0.03 0.33 0.00 0.00 0.24 0.00 0.00 174.94 175.48 1wf6 s ASN 13 N -5.76 4.05 -0.07 0.00 2.47 -1.26 -5.08 114.94 109.28 1wf6 s ASN 13 Ca 0.00 -2.05 -0.03 0.00 0.42 0.00 0.00 52.86 51.20 1wf6 s ASN 13 Cb 0.00 -1.06 0.04 0.00 -1.45 0.00 0.00 41.25 38.78 1wf6 s ASN 13 CO 0.00 -0.36 0.16 -0.94 -3.72 0.00 0.00 177.10 172.24 1wf6 s SER 14 N 1.08 -0.04 -0.24 -4.21 1.04 -1.26 -5.10 113.70 104.98 1wf6 s SER 14 Ca 0.12 0.34 -0.34 0.00 0.48 0.00 0.00 55.95 56.56 1wf6 s SER 14 Cb -0.20 0.24 -0.11 0.00 0.10 0.00 0.00 66.02 66.05 1wf6 s SER 14 CO -0.14 -0.16 2.05 0.18 0.98 0.00 0.00 173.24 176.14 1wf6 n LEU 15 N 4.35 2.77 0.00 2.42 4.32 -1.26 -3.89 117.00 125.71 1wf6 n LEU 15 Ca -0.24 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1wf6 n LEU 15 Cb 0.52 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 1wf6 n LEU 15 CO 0.16 -0.47 0.00 -3.20 -1.22 0.00 0.00 177.39 172.66 1wf6 n ASN 16 N 8.64 0.00 -3.51 -1.43 5.15 -1.26 -5.15 115.26 117.70 1wf6 n ASN 16 Ca 0.32 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.99 1wf6 n ASN 16 Cb 0.27 0.00 0.27 0.00 -0.53 0.00 0.00 39.78 39.79 1wf6 n ASN 16 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wf6 s SER 17 N 0.00 -0.04 0.25 1.20 0.15 -1.25 -4.85 113.70 109.15 1wf6 s SER 17 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wf6 s SER 17 Cb 0.00 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1wf6 s SER 17 CO 0.00 -4.71 0.00 0.29 1.20 0.00 0.00 173.24 170.02 1wf6 n LYS 18 N -5.15 -4.05 -0.27 5.44 4.01 -1.26 -5.03 118.16 111.84 1wf6 n LYS 18 Ca 0.15 2.94 0.00 0.00 -0.51 0.00 0.00 58.31 60.89 1wf6 n LYS 18 Cb 0.60 -3.17 0.00 0.00 -0.51 0.00 0.00 35.03 31.95 1wf6 n LYS 18 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1wf6 n LEU 19 N 0.66 0.00 -4.79 -0.35 4.32 -1.26 -5.04 117.00 110.54 1wf6 n LEU 19 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 1wf6 n LEU 19 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1wf6 n LEU 19 CO 0.00 -0.33 0.74 -0.70 -1.22 0.00 0.00 177.39 175.88 1wf6 s GLU 20 N -1.31 3.41 -1.18 3.23 2.12 -1.26 -4.77 118.70 118.94 1wf6 s GLU 20 Ca 0.00 1.40 -0.12 0.00 0.36 0.00 0.00 54.97 56.61 1wf6 s GLU 20 Cb 0.00 -2.03 -0.07 0.00 0.26 0.00 0.00 34.13 32.29 1wf6 s GLU 20 CO 0.00 -0.76 2.33 -0.35 -0.54 0.00 0.00 175.26 175.94 1wf6 n PRO 21 N -1.53 2.55 -4.29 4.30 -0.04 -1.26 -4.68 135.00 130.05 1wf6 n PRO 21 Ca 0.10 -1.94 -0.24 0.00 -0.04 0.00 0.00 63.50 61.38 1wf6 n PRO 21 Cb 0.52 -2.79 -0.08 0.00 -0.04 0.00 0.00 33.50 31.12 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 3.35 2.93 0.06 0.52 -4.23 -1.26 -4.68 115.64 112.32 1wf6 s THR 22 Ca 0.53 -1.94 -0.38 0.00 -1.18 0.00 0.00 61.69 58.72 1wf6 s THR 22 Cb 0.14 -2.81 -0.21 0.00 1.34 0.00 0.00 72.50 70.96 1wf6 s THR 22 CO -0.02 -0.26 1.57 0.25 -0.54 0.00 0.00 174.62 175.61 1wf6 h LEU 23 N 1.81 -1.14 -1.35 4.79 7.12 -1.92 -1.41 115.31 123.21 1wf6 h LEU 23 Ca -0.43 0.04 0.11 0.00 0.13 0.00 0.00 57.88 57.73 1wf6 h LEU 23 Cb 1.25 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 41.66 1wf6 h LEU 23 CO 0.64 -0.81 0.72 -0.33 -0.13 0.00 0.00 178.44 178.53 1wf6 h GLU 24 N -1.35 0.00 -2.23 1.25 5.08 -1.97 0.18 114.58 115.54 1wf6 h GLU 24 Ca -0.14 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.63 1wf6 h GLU 24 Cb 1.03 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.86 1wf6 h GLU 24 CO 0.23 0.00 -0.62 0.09 -1.00 0.00 0.00 179.01 177.71 1wf6 n ASN 25 N -3.13 4.56 -0.03 1.42 3.02 -0.56 -4.74 115.26 115.80 1wf6 n ASN 25 Ca 0.07 -3.69 -0.17 0.00 -0.03 0.00 0.00 54.58 50.76 1wf6 n ASN 25 Cb 0.86 -0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.26 2.15 -0.04 3.41 0.00 0.64 -2.22 117.00 120.68 1wf6 n LEU 26 Ca 0.32 0.19 -0.08 0.00 0.00 0.00 0.00 56.01 56.45 1wf6 n LEU 26 Cb 0.41 -0.71 0.10 0.00 0.00 0.00 0.00 43.42 43.21 1wf6 n LEU 26 CO 0.34 0.74 0.64 -0.33 0.00 0.00 0.00 177.39 178.78 1wf6 h GLU 27 N 0.04 0.66 0.14 1.96 5.08 -1.85 -3.16 114.58 117.44 1wf6 h GLU 27 Ca -0.42 -0.31 -0.20 0.00 -1.00 0.00 0.00 59.36 57.43 1wf6 h GLU 27 Cb 2.02 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 31.29 1wf6 h GLU 27 CO 0.06 0.90 -0.86 -0.97 -1.00 0.00 0.00 179.01 177.14 1wf6 h ASN 28 N 0.56 0.52 -2.13 1.42 -0.73 -1.92 -3.46 115.58 109.84 1wf6 h ASN 28 Ca 0.06 -0.93 -0.61 0.00 1.87 0.00 0.00 56.30 56.69 1wf6 h ASN 28 Cb 0.84 -0.17 0.14 0.00 0.27 0.00 0.00 38.32 39.40 1wf6 h ASN 28 CO 0.07 1.41 -0.47 -0.11 -0.37 0.00 0.00 177.43 177.96 1wf6 n LEU 29 N -4.09 -0.49 -4.44 0.34 7.94 -0.94 -4.54 117.00 110.77 1wf6 n LEU 29 Ca -0.14 0.93 -0.34 0.00 -1.11 0.00 0.00 56.01 55.35 1wf6 n LEU 29 Cb 0.83 -1.07 -0.13 0.00 0.53 0.00 0.00 43.42 43.58 1wf6 n LEU 29 CO 0.50 -3.02 -0.37 -0.62 -1.11 0.00 0.00 177.39 172.76 1wf6 s ASP 30 N -0.94 4.59 0.09 1.96 2.15 -1.26 -4.92 116.67 118.33 1wf6 s ASP 30 Ca 0.62 -0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.41 1wf6 s ASP 30 Cb -0.64 -1.75 -0.24 0.00 -0.30 0.00 0.00 42.92 39.98 1wf6 s ASP 30 CO 0.59 0.13 1.18 1.62 -0.17 0.00 0.00 175.17 178.51 1wf6 h VAL 31 N 5.30 1.57 -0.02 1.11 3.04 -1.92 -3.08 116.25 122.25 1wf6 h VAL 31 Ca -0.32 -3.22 0.00 0.00 -1.01 0.00 0.00 66.70 62.15 1wf6 h VAL 31 Cb 1.19 2.87 0.00 0.00 -2.01 0.00 0.00 31.29 33.34 1wf6 h VAL 31 CO 0.61 0.92 0.00 -1.20 -1.01 0.00 0.00 177.57 176.89 1wf6 n SER 32 N -3.42 0.19 -0.04 3.17 7.64 -1.26 -3.32 113.62 116.58 1wf6 n SER 32 Ca -0.05 -1.51 -0.21 0.00 1.01 0.00 0.00 58.87 58.11 1wf6 n SER 32 Cb 0.98 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 64.04 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wf6 h ALA 33 N 3.58 0.25 -1.66 -0.43 0.00 -1.96 -3.47 119.26 115.58 1wf6 h ALA 33 Ca 0.00 -1.16 -0.65 0.00 0.00 0.00 0.00 54.91 53.10 1wf6 h ALA 33 Cb 0.06 0.60 0.09 0.00 0.00 0.00 0.00 17.79 18.53 1wf6 h ALA 33 CO 0.00 0.82 0.14 1.19 0.00 0.00 0.00 179.25 181.40 1wf6 n PHE 34 N -4.09 1.05 0.40 0.00 3.72 -1.21 -4.85 117.46 112.48 1wf6 n PHE 34 Ca -0.28 0.74 0.11 0.00 -0.05 0.00 0.00 57.45 57.97 1wf6 n PHE 34 Cb 0.81 -2.23 0.26 0.00 -0.94 0.00 0.00 39.48 37.39 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 1.47 2.36 -0.59 -1.08 6.02 -1.24 -4.97 117.38 119.35 1wf6 n GLN 35 Ca 0.15 -2.08 -0.31 0.00 -0.01 0.00 0.00 57.00 54.75 1wf6 n GLN 35 Cb 0.25 -1.49 0.21 0.00 1.02 0.00 0.00 30.24 30.23 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 1.26 -3.73 -1.70 -1.58 0.00 -1.06 -4.95 120.51 108.74 1wf6 n ALA 36 Ca 0.19 -1.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.04 1wf6 n ALA 36 Cb 0.54 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.81 3.43 0.00 0.00 0.04 -1.26 -4.92 135.00 128.47 1wf6 s PRO 37 Ca 0.61 1.18 0.17 0.00 0.04 0.00 0.00 61.00 63.00 1wf6 s PRO 37 Cb -0.17 -2.05 0.76 0.00 0.04 0.00 0.00 34.50 33.08 1wf6 s PRO 37 CO 0.66 -0.72 1.52 0.39 0.04 0.00 0.00 177.00 178.89 1wf6 n GLU 38 N -1.90 0.09 -0.15 4.56 -0.58 -1.26 -1.66 120.64 119.74 1wf6 n GLU 38 Ca 0.08 0.18 0.10 0.00 -0.42 0.00 0.00 57.16 57.10 1wf6 n GLU 38 Cb 0.53 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 30.06 1wf6 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wf6 n ASP 39 N -1.42 2.52 -0.20 1.62 8.00 -1.20 -2.75 116.55 123.13 1wf6 n ASP 39 Ca 0.05 -3.12 -0.05 0.00 0.71 0.00 0.00 54.79 52.38 1wf6 n ASP 39 Cb 0.17 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.31 -0.50 -2.99 0.64 7.94 0.18 0.20 117.00 121.17 1wf6 n LEU 40 Ca 0.17 1.32 -0.34 0.00 -1.11 0.00 0.00 56.01 56.05 1wf6 n LEU 40 Cb 0.68 -0.35 -0.02 0.00 0.53 0.00 0.00 43.42 44.26 1wf6 n LEU 40 CO 0.03 -0.92 1.84 0.18 -1.11 0.00 0.00 177.39 177.40 1wf6 n LEU 41 N -4.06 7.22 -4.68 -1.96 4.77 0.35 -4.83 117.00 113.80 1wf6 n LEU 41 Ca 0.01 -4.57 -0.42 0.00 -0.03 0.00 0.00 56.01 51.00 1wf6 n LEU 41 Cb 0.12 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1wf6 n LEU 41 CO -0.08 1.88 1.26 -0.62 -1.33 0.00 0.00 177.39 178.51 1wf6 s ASP 42 N 0.03 6.70 -1.46 -1.43 2.15 0.13 -0.27 116.67 122.52 1wf6 s ASP 42 Ca 0.55 2.31 -0.09 0.00 0.43 0.00 0.00 52.55 55.74 1wf6 s ASP 42 Cb 0.30 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1wf6 s ASP 42 CO -0.19 -0.84 0.85 0.61 -0.17 0.00 0.00 175.17 175.44 1wf6 n GLY 43 N 3.90 -0.52 2.93 2.66 0.00 -1.26 -4.96 105.19 107.94 1wf6 n GLY 43 Ca 0.15 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 1wf6 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf6 s ARG 45 N 1.26 4.28 0.05 0.00 0.52 -1.26 -1.85 118.95 121.94 1wf6 s ARG 45 Ca 0.03 1.01 0.09 0.00 -0.52 0.00 0.00 55.73 56.33 1wf6 s ARG 45 Cb -0.19 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1wf6 s ARG 45 CO -0.11 -0.36 -0.24 0.42 0.02 0.00 0.00 175.30 175.03 1wf6 s ILE 46 N 2.28 1.94 -0.24 1.52 1.01 0.70 0.32 121.20 128.73 1wf6 s ILE 46 Ca 0.38 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 1wf6 s ILE 46 Cb -0.16 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1wf6 s ILE 46 CO 0.11 0.28 0.01 -0.47 0.00 0.00 0.00 174.94 174.88 1wf6 s TYR 47 N -0.82 3.03 0.01 3.97 5.04 0.41 0.12 117.35 129.11 1wf6 s TYR 47 Ca 0.10 -0.80 -0.26 0.00 -2.44 0.00 0.00 57.07 53.67 1wf6 s TYR 47 Cb -0.09 -2.17 -0.05 0.00 0.35 0.00 0.00 41.96 40.00 1wf6 s TYR 47 CO 0.02 -0.50 0.80 -0.51 -1.34 0.00 0.00 175.55 174.02 1wf6 s LEU 48 N 1.52 4.40 0.04 6.97 1.43 -1.24 -1.07 118.68 130.73 1wf6 s LEU 48 Ca 0.05 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1wf6 s LEU 48 Cb -0.15 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1wf6 s LEU 48 CO -0.00 -0.07 -0.04 0.00 0.23 0.00 0.00 176.35 176.46 1wf6 n GLY 50 N 0.98 -0.59 2.91 0.00 0.00 -1.26 -2.32 105.19 104.91 1wf6 n GLY 50 Ca -0.20 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.73 -0.13 0.19 1.61 0.08 -1.26 -3.43 117.98 111.31 1wf6 s PHE 51 Ca 0.25 0.40 -0.16 0.00 0.12 0.00 0.00 56.93 57.54 1wf6 s PHE 51 Cb -0.10 -0.08 0.02 0.00 -0.57 0.00 0.00 43.02 42.29 1wf6 s PHE 51 CO 0.89 -0.14 0.48 -1.12 -0.10 0.00 0.00 175.22 175.23 1wf6 s SER 52 N 0.96 -0.19 1.56 1.36 0.01 -1.26 -4.65 113.70 111.49 1wf6 s SER 52 Ca -0.07 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1wf6 s SER 52 Cb -0.10 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1wf6 s SER 52 CO -0.04 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1wf6 n GLY 53 N -0.32 3.10 0.10 3.44 0.00 -1.26 -2.98 105.19 107.26 1wf6 n GLY 53 Ca -0.09 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 0.15 -0.96 1.61 3.08 -1.97 -2.83 114.38 113.47 1wf6 h ARG 54 Ca 0.00 -0.26 0.19 0.00 0.07 0.00 0.00 59.98 59.98 1wf6 h ARG 54 Cb 0.00 0.10 -0.18 0.00 0.08 0.00 0.00 29.97 29.97 1wf6 h ARG 54 CO 0.00 1.12 -0.26 0.87 -1.07 0.00 0.00 179.97 180.64 1wf6 h LYS 55 N -0.67 -0.00 0.37 0.04 1.57 -1.81 1.56 116.57 117.63 1wf6 h LYS 55 Ca -0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1wf6 h LYS 55 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1wf6 h LYS 55 CO 0.06 -0.00 -0.18 1.25 -0.57 0.00 0.00 179.45 180.01 1wf6 h LEU 56 N -0.00 -0.42 -0.97 2.94 5.85 -1.67 -2.07 115.31 118.96 1wf6 h LEU 56 Ca 0.44 0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.42 1wf6 h LEU 56 Cb 0.69 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 41.64 1wf6 h LEU 56 CO -0.98 -0.21 -0.07 -0.67 -0.34 0.00 0.00 178.44 176.17 1wf6 n ASP 57 N -3.85 -0.19 0.07 1.25 -0.08 -0.44 -0.03 116.55 113.29 1wf6 n ASP 57 Ca -0.06 1.66 -0.06 0.00 -1.51 0.00 0.00 54.79 54.82 1wf6 n ASP 57 Cb 0.20 -0.57 -0.03 0.00 2.34 0.00 0.00 41.12 43.06 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 -0.28 -0.60 -0.67 1.79 0.22 -0.95 116.57 116.08 1wf6 h LYS 58 Ca 0.55 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 59.12 1wf6 h LYS 58 Cb 1.05 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 31.65 1wf6 h LYS 58 CO -0.94 -0.19 -0.49 -0.07 -1.08 0.00 0.00 179.45 176.68 1wf6 h LEU 59 N -0.29 -1.69 -0.95 2.94 4.07 0.03 0.41 115.31 119.84 1wf6 h LEU 59 Ca -0.01 0.26 0.17 0.00 0.08 0.00 0.00 57.88 58.37 1wf6 h LEU 59 Cb 0.26 0.74 -0.17 0.00 1.08 0.00 0.00 40.66 42.58 1wf6 h LEU 59 CO -0.05 -0.34 -0.31 0.54 -1.08 0.00 0.00 178.44 177.20 1wf6 n ARG 60 N -5.38 -0.16 -0.18 1.13 1.74 0.96 0.13 116.66 114.90 1wf6 n ARG 60 Ca 0.01 1.47 -0.09 0.00 -0.77 0.00 0.00 57.85 58.46 1wf6 n ARG 60 Cb 0.34 -2.19 0.01 0.00 -1.02 0.00 0.00 32.46 29.60 1wf6 n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf6 h ARG 61 N 0.00 0.87 0.00 5.56 3.08 0.72 -2.21 114.38 122.41 1wf6 h ARG 61 Ca 0.39 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1wf6 h ARG 61 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1wf6 h ARG 61 CO -0.96 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 180.11 1wf6 n LEU 62 N -4.35 0.00 -0.36 3.04 4.32 0.35 0.17 117.00 120.18 1wf6 n LEU 62 Ca 0.01 0.97 -0.03 0.00 -0.02 0.00 0.00 56.01 56.95 1wf6 n LEU 62 Cb 0.29 -0.47 0.01 0.00 -1.62 0.00 0.00 43.42 41.63 1wf6 n LEU 62 CO 0.42 -0.47 0.51 -0.38 -1.22 0.00 0.00 177.39 176.24 1wf6 n ILE 63 N -2.05 -0.51 -0.16 -0.08 5.41 0.19 0.20 119.36 122.35 1wf6 n ILE 63 Ca 0.00 2.14 -0.05 0.00 1.00 0.00 0.00 62.75 65.84 1wf6 n ILE 63 Cb 0.00 -2.78 0.05 0.00 -0.71 0.00 0.00 39.64 36.19 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 0.39 -0.26 4.38 -1.24 -1.25 0.25 115.58 117.85 1wf6 h ASN 64 Ca 0.28 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.39 1wf6 h ASN 64 Cb 0.51 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1wf6 h ASN 64 CO -0.89 0.27 0.20 -1.28 -1.29 0.00 0.00 177.43 174.44 1wf6 h SER 65 N 0.52 0.00 0.86 1.15 0.87 1.26 0.33 113.55 118.54 1wf6 h SER 65 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1wf6 h SER 65 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1wf6 h SER 65 CO -0.14 0.00 -0.65 1.23 -0.53 0.00 0.00 176.83 176.74 1wf6 h GLY 66 N 0.00 0.00 0.00 5.77 0.00 0.25 -3.35 103.07 105.74 1wf6 h GLY 66 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1wf6 h GLY 66 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1wf6 n GLY 67 N 1.33 2.02 3.53 4.60 0.00 0.12 0.13 105.19 116.91 1wf6 n GLY 67 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.41 3.32 -0.02 0.00 0.63 -4.51 105.19 101.20 1wf6 n GLY 68 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.48 3.65 -0.47 1.61 1.01 -0.77 -4.09 120.40 118.86 1wf6 s VAL 69 Ca 0.66 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1wf6 s VAL 69 Cb -0.23 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1wf6 s VAL 69 CO 0.63 0.22 0.97 -0.60 0.00 0.00 0.00 175.10 176.32 1wf6 s ARG 70 N 1.48 3.55 -0.48 2.72 3.52 -1.25 -0.21 118.95 128.27 1wf6 s ARG 70 Ca 0.03 0.20 -0.25 0.00 -0.13 0.00 0.00 55.73 55.59 1wf6 s ARG 70 Cb -0.16 -3.94 0.03 0.00 -1.56 0.00 0.00 34.95 29.32 1wf6 s ARG 70 CO -0.00 -1.29 0.90 -0.06 -0.81 0.00 0.00 175.30 174.04 1wf6 s PHE 71 N 3.93 2.90 0.57 5.12 0.40 0.12 -4.88 117.98 126.15 1wf6 s PHE 71 Ca 0.39 0.23 0.42 0.00 -0.60 0.00 0.00 56.93 57.37 1wf6 s PHE 71 Cb -0.10 -3.93 2.22 0.00 0.51 0.00 0.00 43.02 41.72 1wf6 s PHE 71 CO 0.27 -1.14 2.30 -0.97 0.70 0.00 0.00 175.22 176.38 1wf6 h ASN 72 N 9.12 0.00 -3.86 1.36 -1.24 -1.90 -3.30 115.58 115.75 1wf6 h ASN 72 Ca -0.25 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.19 1wf6 h ASN 72 Cb 1.08 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 39.92 1wf6 h ASN 72 CO 1.03 0.00 -0.82 0.00 -1.29 0.00 0.00 177.43 176.35 1wf6 s GLN 73 N -4.10 1.24 -0.13 6.67 -2.07 -1.26 -4.94 119.66 115.07 1wf6 s GLN 73 Ca -0.04 -1.29 -0.26 0.00 -1.82 0.00 0.00 55.36 51.95 1wf6 s GLN 73 Cb 0.12 -1.48 -0.02 0.00 -1.09 0.00 0.00 33.01 30.55 1wf6 s GLN 73 CO 0.44 0.33 0.84 -1.17 -1.32 0.00 0.00 175.29 174.42 1wf6 s LEU 74 N -2.23 4.22 0.00 2.60 1.98 -1.26 -4.91 118.68 119.08 1wf6 s LEU 74 Ca 0.12 1.25 -0.01 0.00 -2.89 0.00 0.00 54.13 52.60 1wf6 s LEU 74 Cb -0.09 -3.27 0.00 0.00 0.66 0.00 0.00 46.19 43.50 1wf6 s LEU 74 CO 0.06 -0.35 0.21 0.59 -1.89 0.00 0.00 176.35 174.97 1wf6 n ASN 75 N 4.87 -0.58 -0.47 3.68 4.13 -1.26 -4.85 115.26 120.77 1wf6 n ASN 75 Ca 0.04 -1.80 0.03 0.00 1.68 0.00 0.00 54.58 54.53 1wf6 n ASN 75 Cb 0.49 1.09 0.09 0.00 -1.54 0.00 0.00 39.78 39.91 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wf6 n GLU 76 N -0.24 1.58 -0.12 3.52 1.02 -1.26 -3.67 120.64 121.46 1wf6 n GLU 76 Ca 0.00 -0.72 -0.25 0.00 -0.02 0.00 0.00 57.16 56.17 1wf6 n GLU 76 Cb 0.25 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.09 1.90 -4.69 1.62 9.92 -1.26 -4.92 116.55 119.21 1wf6 n ASP 77 Ca 0.07 0.39 -0.44 0.00 -0.53 0.00 0.00 54.79 54.27 1wf6 n ASP 77 Cb 0.24 -0.90 -0.02 0.00 -0.64 0.00 0.00 41.12 39.80 1wf6 n ASP 77 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1wf6 n VAL 78 N -4.35 1.22 0.32 2.53 3.14 -1.24 -4.62 118.33 115.33 1wf6 n VAL 78 Ca -0.42 -0.31 0.08 0.00 -2.96 0.00 0.00 64.34 60.73 1wf6 n VAL 78 Cb 0.77 -1.57 -0.11 0.00 -1.06 0.00 0.00 33.84 31.88 1wf6 n VAL 78 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1wf6 n THR 79 N 1.55 0.00 -3.92 1.55 -2.24 0.96 -4.85 114.28 107.33 1wf6 n THR 79 Ca 0.09 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1wf6 n THR 79 Cb 0.33 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.82 0.13 -0.27 4.78 3.76 -0.69 -2.63 115.29 117.55 1wf6 s HIS 80 Ca -0.01 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1wf6 s HIS 80 Cb 0.11 -0.10 0.08 0.00 1.11 0.00 0.00 32.58 33.77 1wf6 s HIS 80 CO 0.65 -0.16 0.01 0.08 -0.85 0.00 0.00 174.74 174.47 1wf6 s VAL 81 N -1.03 1.35 -0.41 -0.90 1.01 0.49 0.16 120.40 121.08 1wf6 s VAL 81 Ca -0.11 -1.36 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 1wf6 s VAL 81 Cb -0.07 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1wf6 s VAL 81 CO -0.00 -0.34 1.00 -0.63 0.00 0.00 0.00 175.10 175.13 1wf6 s ILE 82 N 1.43 4.46 -0.21 2.22 -1.09 -0.23 -1.00 121.20 126.78 1wf6 s ILE 82 Ca 0.01 1.19 -0.14 0.00 -2.23 0.00 0.00 60.65 59.49 1wf6 s ILE 82 Cb -0.18 -4.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 1wf6 s ILE 82 CO -0.12 -0.70 0.29 -0.69 -1.23 0.00 0.00 174.94 172.50 1wf6 s VAL 83 N 3.79 5.28 -0.20 2.92 1.01 0.56 -1.79 120.40 131.96 1wf6 s VAL 83 Ca 0.41 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1wf6 s VAL 83 Cb -0.10 -3.63 -0.21 0.00 0.00 0.00 0.00 36.38 32.44 1wf6 s VAL 83 CO 0.23 0.31 0.03 0.61 0.00 0.00 0.00 175.10 176.27 1wf6 n GLY 84 N 3.95 -0.63 1.34 4.51 0.00 -0.98 -3.95 105.19 109.43 1wf6 n GLY 84 Ca -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.13 0.26 -3.56 1.61 8.00 -1.22 -5.02 116.55 113.50 1wf6 n ASP 85 Ca -0.38 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.99 1wf6 n ASP 85 Cb 1.05 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.10 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1wf6 s TYR 86 N -1.88 -0.50 -0.68 1.24 -0.85 -1.26 -5.09 117.35 108.33 1wf6 s TYR 86 Ca 0.00 0.88 -0.08 0.00 -0.52 0.00 0.00 57.07 57.35 1wf6 s TYR 86 Cb 0.00 0.43 0.18 0.00 0.38 0.00 0.00 41.96 42.94 1wf6 s TYR 86 CO 0.00 -0.45 0.55 0.16 -1.52 0.00 0.00 175.55 174.29 1wf6 s ASP 87 N -1.08 5.91 -0.17 -0.18 -4.77 -1.26 -4.04 116.67 111.08 1wf6 s ASP 87 Ca -0.05 -2.63 -0.14 0.00 -3.30 0.00 0.00 52.55 46.42 1wf6 s ASP 87 Cb -0.00 -2.02 -0.08 0.00 -1.09 0.00 0.00 42.92 39.72 1wf6 s ASP 87 CO 0.05 -0.50 -0.11 0.47 0.70 0.00 0.00 175.17 175.77 1wf6 n ASP 88 N 3.92 1.85 -0.36 2.11 8.00 -1.26 -4.35 116.55 126.45 1wf6 n ASP 88 Ca 0.07 0.52 -0.01 0.00 0.71 0.00 0.00 54.79 56.08 1wf6 n ASP 88 Cb 0.42 -0.88 0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1wf6 n ASP 88 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1wf6 n GLU 89 N -4.52 -0.23 -0.31 -1.24 0.00 -1.26 0.18 120.64 113.26 1wf6 n GLU 89 Ca -0.18 1.45 0.21 0.00 0.00 0.00 0.00 57.16 58.64 1wf6 n GLU 89 Cb 0.45 -2.15 0.41 0.00 0.00 0.00 0.00 31.44 30.15 1wf6 n GLU 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1wf6 n LEU 90 N -5.37 0.10 -0.04 4.31 0.00 -1.26 0.19 117.00 114.93 1wf6 n LEU 90 Ca 0.09 1.55 -0.08 0.00 0.00 0.00 0.00 56.01 57.57 1wf6 n LEU 90 Cb 0.37 -0.66 -0.02 0.00 0.00 0.00 0.00 43.42 43.11 1wf6 n LEU 90 CO -0.13 -1.65 0.70 0.07 0.00 0.00 0.00 177.39 176.38 1wf6 h LYS 91 N 0.00 -0.24 -0.85 1.96 2.10 0.18 0.88 116.57 120.59 1wf6 h LYS 91 Ca 0.67 0.02 0.05 0.00 -2.00 0.00 0.00 60.65 59.39 1wf6 h LYS 91 Cb 1.61 0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 32.93 1wf6 h LYS 91 CO -0.79 -0.16 0.54 1.96 -2.00 0.00 0.00 179.45 179.00 1wf6 h GLN 92 N -0.24 0.97 0.00 0.07 4.20 0.22 -0.10 115.11 120.22 1wf6 h GLN 92 Ca 0.13 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1wf6 h GLN 92 Cb 0.45 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1wf6 h GLN 92 CO -0.38 0.64 -0.30 0.35 -0.67 0.00 0.00 178.83 178.48 1wf6 h PHE 93 N 1.00 0.00 0.00 2.96 3.57 0.30 -1.45 116.94 123.33 1wf6 h PHE 93 Ca 0.36 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 1wf6 h PHE 93 Cb 0.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1wf6 h PHE 93 CO -0.03 0.30 -0.27 -1.49 -2.23 0.00 0.00 178.31 174.60 1wf6 h TRP 94 N 0.00 0.00 -0.13 0.41 6.55 0.25 -0.73 115.95 122.30 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 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.95 1wf6 h TRP 94 CO 0.00 0.27 0.00 -1.71 -1.05 0.00 0.00 178.44 175.95 1wf6 n ASN 95 N -3.42 2.45 0.00 -3.49 2.85 -0.61 -4.59 115.26 108.45 1wf6 n ASN 95 Ca 0.00 -1.81 0.00 0.00 -0.11 0.00 0.00 54.58 52.66 1wf6 n ASN 95 Cb 0.46 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1wf6 n ASN 95 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wf6 n LYS 96 N 0.88 0.00 -4.01 1.20 5.02 -0.64 -5.07 118.16 115.53 1wf6 n LYS 96 Ca 0.17 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 1wf6 n LYS 96 Cb 0.49 0.00 -0.03 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 -0.29 6.02 -0.64 4.39 0.01 -0.37 -5.06 113.70 117.76 1wf6 s SER 97 Ca 0.00 -0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 1wf6 s SER 97 Cb 0.00 -1.71 0.11 0.00 0.21 0.00 0.00 66.02 64.64 1wf6 s SER 97 CO 0.00 -0.01 0.75 0.00 0.41 0.00 0.00 173.24 174.38 1wf6 s ALA 98 N -1.93 3.46 -0.15 1.44 0.00 -1.26 -4.37 121.76 118.95 1wf6 s ALA 98 Ca 0.33 -2.36 -0.27 0.00 0.00 0.00 0.00 51.96 49.66 1wf6 s ALA 98 Cb -0.09 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.52 1wf6 s ALA 98 CO 0.27 -2.41 0.68 -1.58 0.00 0.00 0.00 175.76 172.72 1wf6 s HIS 99 N 2.51 -0.70 -0.51 0.00 5.04 -1.26 -5.11 115.29 115.26 1wf6 s HIS 99 Ca 0.14 1.45 0.04 0.00 -1.54 0.00 0.00 55.06 55.15 1wf6 s HIS 99 Cb -0.21 0.33 0.13 0.00 0.04 0.00 0.00 32.58 32.87 1wf6 s HIS 99 CO 0.04 -0.49 0.26 0.50 -2.34 0.00 0.00 174.74 172.70 1wf6 s ARG 100 N -0.48 1.89 0.72 2.88 3.00 -1.26 -4.89 118.95 120.82 1wf6 s ARG 100 Ca -0.06 -2.56 -0.11 0.00 -1.00 0.00 0.00 55.73 52.00 1wf6 s ARG 100 Cb -0.02 -3.19 0.02 0.00 0.00 0.00 0.00 34.95 31.76 1wf6 s ARG 100 CO 0.06 -1.12 1.07 -1.25 0.00 0.00 0.00 175.30 174.06 1wf6 s PRO 101 N -0.23 2.72 -0.46 5.12 0.04 -1.26 -4.96 135.00 135.97 1wf6 s PRO 101 Ca 0.17 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 61.80 1wf6 s PRO 101 Cb -0.25 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1wf6 s PRO 101 CO -0.00 -1.23 1.41 -1.01 0.04 0.00 0.00 177.00 176.21 1wf6 s HIS 102 N -3.08 2.37 -0.69 0.56 3.76 -1.08 -4.79 115.29 112.34 1wf6 s HIS 102 Ca 0.59 0.62 -0.19 0.00 -0.15 0.00 0.00 55.06 55.93 1wf6 s HIS 102 Cb -0.14 -4.34 0.12 0.00 1.11 0.00 0.00 32.58 29.33 1wf6 s HIS 102 CO 0.55 -1.96 0.82 0.08 -0.85 0.00 0.00 174.74 173.38 1wf6 s VAL 103 N 5.63 4.85 0.43 -0.90 1.01 -1.26 0.18 120.40 130.35 1wf6 s VAL 103 Ca 0.58 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1wf6 s VAL 103 Cb -0.12 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 1wf6 s VAL 103 CO 0.30 -1.22 0.12 0.68 0.00 0.00 0.00 175.10 174.98 1wf6 s VAL 104 N 2.52 0.64 0.14 2.92 -7.23 -0.17 -2.39 120.40 116.83 1wf6 s VAL 104 Ca 0.17 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1wf6 s VAL 104 Cb -0.18 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1wf6 s VAL 104 CO 0.02 0.00 0.19 -0.83 -0.31 0.00 0.00 175.10 174.16 1wf6 s GLY 105 N -3.65 1.79 0.63 2.32 0.00 -1.10 0.21 107.32 107.53 1wf6 s GLY 105 Ca 0.21 -1.09 0.22 0.00 0.00 0.00 0.00 44.72 44.06 1wf6 s GLY 105 CO 0.13 -1.09 1.58 0.00 0.00 0.00 0.00 173.10 173.72 1wf6 h ALA 106 N 2.49 2.05 0.00 3.20 0.00 -1.89 1.70 119.26 126.80 1wf6 h ALA 106 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wf6 h ALA 106 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wf6 h ALA 106 CO 0.67 -0.88 0.00 1.17 0.00 0.00 0.00 179.25 180.21 1wf6 n LYS 107 N -3.10 0.13 0.00 0.00 4.81 -1.26 0.16 118.16 118.90 1wf6 n LYS 107 Ca 0.06 0.61 0.11 0.00 -0.87 0.00 0.00 58.31 58.23 1wf6 n LYS 107 Cb 0.83 -1.91 0.02 0.00 0.02 0.00 0.00 35.03 34.00 1wf6 n LYS 107 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1wf6 n TRP 108 N -2.18 0.00 -0.09 5.64 -0.00 0.58 -3.84 117.44 117.55 1wf6 n TRP 108 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.26 1wf6 n TRP 108 Cb 0.04 -0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.23 1wf6 n TRP 108 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1wf6 n LEU 109 N 0.27 2.09 0.31 5.87 7.94 0.43 -3.69 117.00 130.22 1wf6 n LEU 109 Ca 0.10 0.34 -0.17 0.00 -1.11 0.00 0.00 56.01 55.17 1wf6 n LEU 109 Cb 0.50 -0.97 -0.08 0.00 0.53 0.00 0.00 43.42 43.39 1wf6 n LEU 109 CO 0.25 0.48 0.66 -0.07 -1.11 0.00 0.00 177.39 177.60 1wf6 h LEU 110 N -0.73 -0.78 -1.12 -1.96 -0.00 -1.49 -1.01 115.31 108.22 1wf6 h LEU 110 Ca -0.44 0.04 0.27 0.00 -0.00 0.00 0.00 57.88 57.76 1wf6 h LEU 110 Cb 1.54 0.22 -0.12 0.00 -0.00 0.00 0.00 40.66 42.30 1wf6 h LEU 110 CO -0.18 -0.50 0.62 -0.33 -0.00 0.00 0.00 178.44 178.05 1wf6 h GLU 111 N -0.81 0.45 0.52 1.13 4.39 -1.77 1.17 114.58 119.66 1wf6 h GLU 111 Ca -0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1wf6 h GLU 111 Cb 0.65 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1wf6 h GLU 111 CO 0.08 0.30 -0.25 0.00 -1.16 0.00 0.00 179.01 177.98 1wf6 n PHE 113 N -5.35 0.00 -0.11 0.00 3.72 0.51 -0.48 117.46 115.75 1wf6 n PHE 113 Ca -0.12 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.04 1wf6 n PHE 113 Cb 0.31 -0.35 -0.11 0.00 -0.94 0.00 0.00 39.48 38.39 1wf6 n PHE 113 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wf6 n SER 114 N -1.35 1.97 0.21 4.37 2.88 0.37 -2.58 113.62 119.51 1wf6 n SER 114 Ca 0.06 0.19 0.10 0.00 -1.33 0.00 0.00 58.87 57.89 1wf6 n SER 114 Cb 0.14 -0.72 0.37 0.00 -0.75 0.00 0.00 64.21 63.24 1wf6 n SER 114 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wf6 h LYS 115 N -0.57 0.00 0.00 -1.46 1.79 0.28 -3.46 116.57 113.15 1wf6 h LYS 115 Ca -0.58 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 1wf6 h LYS 115 Cb 1.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.36 1wf6 h LYS 115 CO -0.23 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 1wf6 n GLY 116 N 0.47 1.27 3.20 3.86 0.00 0.37 -5.02 105.19 109.33 1wf6 n GLY 116 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.31 0.80 0.49 1.61 -0.85 -0.96 -4.39 117.35 111.74 1wf6 s TYR 117 Ca 0.00 -1.16 -0.22 0.00 -0.52 0.00 0.00 57.07 55.18 1wf6 s TYR 117 Cb 0.00 -0.40 -0.07 0.00 0.38 0.00 0.00 41.96 41.87 1wf6 s TYR 117 CO 0.00 -0.58 1.17 -1.64 -1.52 0.00 0.00 175.55 172.98 1wf6 s MET 118 N -4.05 3.57 0.51 -3.49 -1.94 -1.26 -4.27 119.30 108.37 1wf6 s MET 118 Ca 0.25 1.76 0.03 0.00 -1.71 0.00 0.00 55.69 56.01 1wf6 s MET 118 Cb 0.06 -2.26 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 1wf6 s MET 118 CO 0.03 -0.70 0.08 -0.51 -0.01 0.00 0.00 175.02 173.91 1wf6 s LEU 119 N -3.32 2.43 0.41 -0.03 1.43 -1.26 -5.03 118.68 113.32 1wf6 s LEU 119 Ca 0.67 -1.54 -0.25 0.00 -1.03 0.00 0.00 54.13 51.98 1wf6 s LEU 119 Cb -0.28 -0.85 -0.08 0.00 0.03 0.00 0.00 46.19 45.00 1wf6 s LEU 119 CO 0.33 -0.86 1.26 -0.44 0.23 0.00 0.00 176.35 176.87 1wf6 s SER 120 N -3.94 6.30 0.00 2.29 0.01 -1.26 -4.92 113.70 112.18 1wf6 s SER 120 Ca 0.14 2.56 0.23 0.00 1.31 0.00 0.00 55.95 60.19 1wf6 s SER 120 Cb 0.02 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.74 1wf6 s SER 120 CO 0.08 -0.85 1.15 -0.62 0.41 0.00 0.00 173.24 173.41 1wf6 n GLU 121 N 0.02 0.17 -0.05 12.44 4.71 -1.26 -4.15 120.64 132.52 1wf6 n GLU 121 Ca 0.04 -0.12 -0.15 0.00 -0.01 0.00 0.00 57.16 56.92 1wf6 n GLU 121 Cb 0.45 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.31 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 0.30 0.60 0.00 3.49 5.08 -1.96 -2.59 114.58 119.51 1wf6 h GLU 122 Ca 0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 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 1.03 0.00 -0.35 -1.00 0.00 0.00 179.01 178.69 1wf6 n PRO 123 N -4.23 0.75 -2.72 2.33 -0.04 -1.26 -2.86 135.00 126.98 1wf6 n PRO 123 Ca -0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1wf6 n PRO 123 Cb 0.56 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.72 1wf6 n PRO 123 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wf6 n TYR 124 N -0.84 1.27 -2.98 0.54 4.02 -1.08 -5.10 117.16 112.99 1wf6 n TYR 124 Ca 0.12 -2.06 -0.34 0.00 -0.01 0.00 0.00 57.90 55.62 1wf6 n TYR 124 Cb 0.06 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.08 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 -3.65 4.51 -0.33 -0.72 -1.09 -1.00 -2.69 121.20 116.23 1wf6 s ILE 125 Ca 0.29 1.28 -0.02 0.00 -2.23 0.00 0.00 60.65 59.97 1wf6 s ILE 125 Cb 0.33 -3.69 0.07 0.00 -1.58 0.00 0.00 42.46 37.59 1wf6 s ILE 125 CO -0.04 -0.14 0.06 -2.28 -1.23 0.00 0.00 174.94 171.30 1wf6 s HIS 126 N -1.94 3.38 0.44 3.97 2.46 -1.01 -4.87 115.29 117.72 1wf6 s HIS 126 Ca 0.55 -2.07 0.07 0.00 0.47 0.00 0.00 55.06 54.07 1wf6 s HIS 126 Cb -0.12 -2.45 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 1wf6 s HIS 126 CO 0.17 -0.85 0.34 -1.54 -2.47 0.00 0.00 174.74 170.39 1wf6 s SER 127 N 1.38 4.81 0.00 9.88 1.04 -1.26 -4.96 113.70 124.59 1wf6 s SER 127 Ca -0.01 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1wf6 s SER 127 Cb -0.20 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1wf6 s SER 127 CO -0.02 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1wf6 n GLY 128 N -1.52 4.47 3.55 7.32 0.00 -1.26 -5.08 105.19 112.67 1wf6 n GLY 128 Ca 0.02 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1wf6 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf6 s PRO 129 N 1.22 2.96 -0.29 1.61 0.04 -1.26 -4.89 135.00 134.38 1wf6 s PRO 129 Ca 0.00 -0.06 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 1wf6 s PRO 129 Cb 0.00 -4.52 0.13 0.00 0.04 0.00 0.00 34.50 30.14 1wf6 s PRO 129 CO 0.00 -2.53 0.75 0.45 0.04 0.00 0.00 177.00 175.71 1wf6 s SER 130 N 6.03 -0.94 0.00 6.66 0.15 -1.26 -5.16 113.70 119.18 1wf6 s SER 130 Ca 0.53 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1wf6 s SER 130 Cb -0.08 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 1wf6 s SER 130 CO 0.12 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.16 1wf6 n SER 131 N 4.93 0.00 0.00 5.45 7.64 -1.26 -5.22 113.62 125.16 1wf6 n SER 131 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1wf6 n SER 131 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wf6 n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64