#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 -6.72 -4.38 1.61 2.88 -1.26 -4.99 113.62 100.77 1wf6 n SER 2 Ca 0.00 0.53 -0.26 0.00 -1.33 0.00 0.00 58.87 57.81 1wf6 n SER 2 Cb 0.00 -1.90 -0.12 0.00 -0.75 0.00 0.00 64.21 61.44 1wf6 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wf6 s SER 3 N -0.98 3.16 0.89 -3.46 1.04 -1.26 -5.15 113.70 107.94 1wf6 s SER 3 Ca -0.00 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.52 1wf6 s SER 3 Cb 0.00 -0.21 0.18 0.00 0.10 0.00 0.00 66.02 66.09 1wf6 s SER 3 CO 0.07 0.11 1.22 -0.83 0.98 0.00 0.00 173.24 174.78 1wf6 s GLY 4 N -2.38 1.78 -0.17 7.32 0.00 -1.26 -5.12 107.32 107.49 1wf6 s GLY 4 Ca 0.16 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 1wf6 s GLY 4 CO 0.07 -0.73 0.97 -1.35 0.00 0.00 0.00 173.10 172.07 1wf6 s SER 5 N -4.87 -0.41 0.59 1.64 1.04 -1.26 -5.12 113.70 105.31 1wf6 s SER 5 Ca 0.72 0.51 0.01 0.00 0.48 0.00 0.00 55.95 57.68 1wf6 s SER 5 Cb -0.04 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.56 1wf6 s SER 5 CO 0.50 -0.33 0.82 -0.94 0.98 0.00 0.00 173.24 174.27 1wf6 s SER 6 N -0.88 5.07 -0.85 7.02 1.04 -1.26 -5.01 113.70 118.83 1wf6 s SER 6 Ca -0.02 -0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.04 1wf6 s SER 6 Cb -0.01 -0.64 0.04 0.00 0.10 0.00 0.00 66.02 65.51 1wf6 s SER 6 CO 0.01 -1.30 1.32 -0.83 0.98 0.00 0.00 173.24 173.42 1wf6 s GLY 7 N -4.50 1.10 -0.30 7.32 0.00 -1.26 -4.87 107.32 104.81 1wf6 s GLY 7 Ca 0.59 -1.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.35 1wf6 s GLY 7 CO 0.40 2.60 1.15 -1.35 0.00 0.00 0.00 173.10 175.90 1wf6 s SER 8 N 4.20 -0.30 -0.30 1.64 1.04 -1.26 -5.16 113.70 113.56 1wf6 s SER 8 Ca 0.38 0.40 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 1wf6 s SER 8 Cb -0.05 1.34 0.19 0.00 0.10 0.00 0.00 66.02 67.59 1wf6 s SER 8 CO 0.04 -0.06 1.19 -0.70 0.98 0.00 0.00 173.24 174.69 1wf6 s GLU 9 N 2.28 0.13 0.27 4.02 2.12 -1.26 -5.15 118.70 121.10 1wf6 s GLU 9 Ca -0.01 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.28 1wf6 s GLU 9 Cb -0.04 0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.33 1wf6 s GLU 9 CO -0.16 -0.03 0.99 -1.12 -0.54 0.00 0.00 175.26 174.40 1wf6 s SER 10 N 1.39 7.46 -0.16 -1.70 0.01 -1.26 -4.93 113.70 114.50 1wf6 s SER 10 Ca -0.06 2.03 -0.39 0.00 1.31 0.00 0.00 55.95 58.83 1wf6 s SER 10 Cb -0.03 -2.61 -0.16 0.00 0.21 0.00 0.00 66.02 63.43 1wf6 s SER 10 CO -0.12 0.01 1.58 0.00 0.41 0.00 0.00 173.24 175.12 1wf6 n ILE 11 N 1.21 0.18 -3.63 1.44 0.13 -1.26 -4.90 119.36 112.53 1wf6 n ILE 11 Ca -0.01 -0.03 -0.04 0.00 -1.10 0.00 0.00 62.75 61.57 1wf6 n ILE 11 Cb 0.47 -1.01 -0.04 0.00 -0.84 0.00 0.00 39.64 38.22 1wf6 n ILE 11 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wf6 s ASN 13 N -1.07 1.52 0.18 0.00 2.47 -1.26 -5.14 114.94 111.64 1wf6 s ASN 13 Ca 0.07 -0.24 -0.15 0.00 0.42 0.00 0.00 52.86 52.95 1wf6 s ASN 13 Cb -0.01 -0.38 0.02 0.00 -1.45 0.00 0.00 41.25 39.43 1wf6 s ASN 13 CO -0.06 0.10 0.45 -0.94 -3.72 0.00 0.00 177.10 172.93 1wf6 s SER 14 N 0.08 -0.19 0.31 -4.21 1.04 -1.26 -5.18 113.70 104.29 1wf6 s SER 14 Ca -0.02 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1wf6 s SER 14 Cb -0.09 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1wf6 s SER 14 CO 0.01 -0.98 0.34 -0.76 0.98 0.00 0.00 173.24 172.82 1wf6 s LEU 15 N -2.88 1.31 0.34 2.42 1.43 -1.26 -5.16 118.68 114.88 1wf6 s LEU 15 Ca 0.10 -1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 51.54 1wf6 s LEU 15 Cb 0.00 0.92 -0.07 0.00 0.03 0.00 0.00 46.19 47.08 1wf6 s LEU 15 CO -0.04 -1.12 0.68 0.21 0.23 0.00 0.00 176.35 176.32 1wf6 s ASN 16 N -3.27 6.56 0.00 2.29 3.84 -1.26 -5.07 114.94 118.02 1wf6 s ASN 16 Ca 0.36 1.03 0.00 0.00 0.21 0.00 0.00 52.86 54.46 1wf6 s ASN 16 Cb 0.02 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.44 1wf6 s ASN 16 CO 0.21 -0.28 0.00 -1.20 -2.79 0.00 0.00 177.10 173.05 1wf6 n SER 17 N -0.91 0.00 -1.11 -4.21 7.64 -1.26 -5.15 113.62 108.62 1wf6 n SER 17 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wf6 n SER 17 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1wf6 n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wf6 n LYS 18 N -0.02 -3.05 -1.60 1.43 5.02 -1.26 -4.69 118.16 113.99 1wf6 n LYS 18 Ca 0.00 2.32 -0.63 0.00 -2.02 0.00 0.00 58.31 57.98 1wf6 n LYS 18 Cb 0.00 -2.77 -0.09 0.00 -0.02 0.00 0.00 35.03 32.15 1wf6 n LYS 18 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1wf6 n LEU 19 N -1.67 1.10 -4.84 -0.35 7.94 -1.26 -4.87 117.00 113.05 1wf6 n LEU 19 Ca 0.00 1.08 -0.33 0.00 -1.11 0.00 0.00 56.01 55.66 1wf6 n LEU 19 Cb 0.18 -0.81 -0.06 0.00 0.53 0.00 0.00 43.42 43.26 1wf6 n LEU 19 CO 0.00 -0.77 0.45 -1.61 -1.11 0.00 0.00 177.39 174.35 1wf6 s GLU 20 N 2.86 4.05 -1.13 1.96 2.02 -1.26 -4.95 118.70 122.25 1wf6 s GLU 20 Ca 0.97 0.75 -0.15 0.00 0.02 0.00 0.00 54.97 56.56 1wf6 s GLU 20 Cb -1.38 -2.42 -0.07 0.00 0.10 0.00 0.00 34.13 30.35 1wf6 s GLU 20 CO 0.75 0.15 2.20 -0.35 0.02 0.00 0.00 175.26 178.03 1wf6 n PRO 21 N -0.33 2.34 -4.20 0.39 -0.04 -1.26 -4.80 135.00 127.10 1wf6 n PRO 21 Ca 0.04 -2.05 -0.23 0.00 -0.04 0.00 0.00 63.50 61.22 1wf6 n PRO 21 Cb 0.53 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.01 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 3.73 3.97 0.10 0.52 -4.23 -1.26 -4.56 115.64 113.91 1wf6 s THR 22 Ca 0.52 -1.62 -0.26 0.00 -1.18 0.00 0.00 61.69 59.15 1wf6 s THR 22 Cb 0.14 -3.13 -0.12 0.00 1.34 0.00 0.00 72.50 70.73 1wf6 s THR 22 CO -0.00 -0.34 1.67 0.25 -0.54 0.00 0.00 174.62 175.66 1wf6 h LEU 23 N 1.74 -0.45 -1.44 4.79 7.12 -1.92 -1.22 115.31 123.92 1wf6 h LEU 23 Ca -0.47 0.04 0.47 0.00 0.13 0.00 0.00 57.88 58.06 1wf6 h LEU 23 Cb 1.24 0.16 -0.12 0.00 -0.53 0.00 0.00 40.66 41.41 1wf6 h LEU 23 CO 0.60 -0.26 0.97 -0.62 -0.13 0.00 0.00 178.44 179.00 1wf6 n GLU 24 N -5.30 -0.03 -2.55 1.25 -0.58 -1.26 0.17 120.64 112.35 1wf6 n GLU 24 Ca -0.08 1.14 -0.24 0.00 -0.42 0.00 0.00 57.16 57.55 1wf6 n GLU 24 Cb 0.21 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 1wf6 n GLU 24 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1wf6 n ASN 25 N -4.38 4.20 0.08 1.62 0.23 -0.53 -4.77 115.26 111.71 1wf6 n ASN 25 Ca 0.39 -3.57 -0.12 0.00 -0.53 0.00 0.00 54.58 50.75 1wf6 n ASN 25 Cb 1.59 -0.48 -0.06 0.00 -2.08 0.00 0.00 39.78 38.75 1wf6 n ASN 25 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1wf6 h LEU 26 N 2.67 0.40 -0.71 -4.53 6.46 0.24 -1.03 115.31 118.81 1wf6 h LEU 26 Ca 0.23 -0.35 -0.13 0.00 -0.12 0.00 0.00 57.88 57.51 1wf6 h LEU 26 Cb 0.92 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1wf6 h LEU 26 CO 0.80 1.18 -0.63 -0.33 -0.62 0.00 0.00 178.44 178.84 1wf6 h GLU 27 N 0.14 0.00 -0.48 1.25 5.08 -1.86 -2.77 114.58 115.94 1wf6 h GLU 27 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wf6 h GLU 27 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1wf6 h GLU 27 CO 0.16 0.63 0.00 0.09 -1.00 0.00 0.00 179.01 178.89 1wf6 n ASN 28 N -3.74 4.93 -4.86 1.42 3.02 -1.19 -4.95 115.26 109.89 1wf6 n ASN 28 Ca -0.01 -2.86 -0.31 0.00 -0.03 0.00 0.00 54.58 51.37 1wf6 n ASN 28 Cb 0.63 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.60 3.09 -0.51 3.41 2.96 -0.40 -5.04 118.68 119.60 1wf6 s LEU 29 Ca 0.49 1.38 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 1wf6 s LEU 29 Cb 0.37 -4.31 0.14 0.00 0.50 0.00 0.00 46.19 42.90 1wf6 s LEU 29 CO 0.15 -1.16 0.29 -0.62 -1.32 0.00 0.00 176.35 173.69 1wf6 s ASP 30 N -4.14 3.94 0.56 3.68 2.15 -1.26 -4.93 116.67 116.67 1wf6 s ASP 30 Ca 0.57 -2.97 0.27 0.00 0.43 0.00 0.00 52.55 50.84 1wf6 s ASP 30 Cb -0.12 -1.31 1.49 0.00 -0.30 0.00 0.00 42.92 42.68 1wf6 s ASP 30 CO 0.54 -0.22 2.00 1.62 -0.17 0.00 0.00 175.17 178.94 1wf6 h VAL 31 N 5.17 0.57 0.00 1.11 3.04 -1.96 1.35 116.25 125.53 1wf6 h VAL 31 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1wf6 h VAL 31 Cb 0.89 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1wf6 h VAL 31 CO 0.59 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.95 1wf6 n SER 32 N -4.05 0.00 0.00 3.17 7.64 -1.26 -2.86 113.62 116.26 1wf6 n SER 32 Ca 0.07 -0.69 -0.20 0.00 1.01 0.00 0.00 58.87 59.06 1wf6 n SER 32 Cb 0.54 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 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 3.49 0.09 -2.18 -0.43 0.00 0.14 -3.46 119.26 116.91 1wf6 h ALA 33 Ca 0.00 -0.92 -0.60 0.00 0.00 0.00 0.00 54.91 53.39 1wf6 h ALA 33 Cb 0.02 0.34 0.07 0.00 0.00 0.00 0.00 17.79 18.22 1wf6 h ALA 33 CO 0.00 0.60 0.66 1.19 0.00 0.00 0.00 179.25 181.70 1wf6 n PHE 34 N -4.10 2.08 0.91 0.00 3.72 -1.13 -4.87 117.46 114.07 1wf6 n PHE 34 Ca -0.21 0.39 0.12 0.00 -0.05 0.00 0.00 57.45 57.70 1wf6 n PHE 34 Cb 0.81 -2.47 0.10 0.00 -0.94 0.00 0.00 39.48 36.98 1wf6 n PHE 34 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wf6 n GLN 35 N 2.77 2.21 -0.88 -1.08 1.13 -1.25 -5.00 117.38 115.27 1wf6 n GLN 35 Ca 0.15 -1.90 -0.36 0.00 -1.94 0.00 0.00 57.00 52.95 1wf6 n GLN 35 Cb 0.28 -1.45 0.08 0.00 0.11 0.00 0.00 30.24 29.27 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 1.31 -5.06 -1.57 -1.58 0.00 -1.21 -4.91 120.51 107.47 1wf6 n ALA 36 Ca 0.14 -1.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.04 1wf6 n ALA 36 Cb 0.58 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.56 2.95 0.06 0.00 0.04 -1.26 -4.94 135.00 129.29 1wf6 s PRO 37 Ca 0.44 0.96 0.22 0.00 0.04 0.00 0.00 61.00 62.67 1wf6 s PRO 37 Cb -0.02 -1.99 0.91 0.00 0.04 0.00 0.00 34.50 33.44 1wf6 s PRO 37 CO 0.68 -1.09 1.70 0.39 0.04 0.00 0.00 177.00 178.72 1wf6 n GLU 38 N -3.09 0.06 -0.29 4.56 1.02 -1.25 -2.19 120.64 119.46 1wf6 n GLU 38 Ca 0.08 0.18 0.09 0.00 -0.02 0.00 0.00 57.16 57.49 1wf6 n GLU 38 Cb 0.53 -1.59 0.20 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.70 3.10 -0.39 1.62 8.00 -1.14 0.33 116.55 126.38 1wf6 n ASP 39 Ca 0.05 -3.10 -0.04 0.00 0.71 0.00 0.00 54.79 52.42 1wf6 n ASP 39 Cb 0.27 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 -0.97 -0.74 -2.91 0.64 7.94 0.30 0.51 117.00 121.78 1wf6 n LEU 40 Ca 0.19 1.72 -0.37 0.00 -1.11 0.00 0.00 56.01 56.44 1wf6 n LEU 40 Cb 0.78 -0.35 0.03 0.00 0.53 0.00 0.00 43.42 44.41 1wf6 n LEU 40 CO 0.09 -1.51 1.18 0.18 -1.11 0.00 0.00 177.39 176.22 1wf6 n LEU 41 N -5.39 6.78 -4.67 -1.96 4.77 0.18 -4.74 117.00 111.98 1wf6 n LEU 41 Ca 0.08 -5.02 -0.46 0.00 -0.03 0.00 0.00 56.01 50.58 1wf6 n LEU 41 Cb 0.36 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1wf6 n LEU 41 CO -0.14 1.92 1.21 -0.67 -1.33 0.00 0.00 177.39 178.39 1wf6 n ASP 42 N -0.46 3.13 -3.98 -1.43 2.03 0.18 -1.06 116.55 114.97 1wf6 n ASP 42 Ca 0.49 1.08 -0.31 0.00 0.52 0.00 0.00 54.79 56.57 1wf6 n ASP 42 Cb 0.33 -1.43 0.01 0.00 -0.72 0.00 0.00 41.12 39.32 1wf6 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf6 n GLY 43 N 3.47 -0.45 3.24 0.27 0.00 -1.26 -4.95 105.19 105.52 1wf6 n GLY 43 Ca 0.17 0.17 -0.34 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 1.32 2.78 0.21 0.00 0.52 -1.26 0.14 118.95 122.67 1wf6 s ARG 45 Ca 0.04 -1.57 0.07 0.00 -0.52 0.00 0.00 55.73 53.75 1wf6 s ARG 45 Cb -0.14 -4.05 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1wf6 s ARG 45 CO -0.06 -1.13 0.10 0.42 0.02 0.00 0.00 175.30 174.65 1wf6 s ILE 46 N 1.52 4.14 -0.13 1.52 1.01 0.21 0.12 121.20 129.60 1wf6 s ILE 46 Ca 0.04 -1.38 0.02 0.00 0.00 0.00 0.00 60.65 59.32 1wf6 s ILE 46 Cb -0.26 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1wf6 s ILE 46 CO 0.03 -0.22 -0.16 -0.47 0.00 0.00 0.00 174.94 174.11 1wf6 s TYR 47 N -1.94 2.18 0.19 3.97 6.14 0.39 0.10 117.35 128.38 1wf6 s TYR 47 Ca 0.31 -1.09 -0.16 0.00 0.64 0.00 0.00 57.07 56.77 1wf6 s TYR 47 Cb -0.09 -1.55 -0.07 0.00 0.42 0.00 0.00 41.96 40.66 1wf6 s TYR 47 CO 0.22 -0.56 0.62 -0.51 0.64 0.00 0.00 175.55 175.96 1wf6 s LEU 48 N 1.07 4.31 -0.11 6.97 1.43 -1.24 0.64 118.68 131.75 1wf6 s LEU 48 Ca -0.04 1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.95 1wf6 s LEU 48 Cb -0.15 -3.45 0.10 0.00 0.03 0.00 0.00 46.19 42.72 1wf6 s LEU 48 CO -0.04 0.05 0.83 0.00 0.23 0.00 0.00 176.35 177.42 1wf6 n GLY 50 N 0.95 -0.80 0.00 0.00 0.00 -1.05 -2.25 105.19 102.03 1wf6 n GLY 50 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.96 0.00 -2.66 1.61 3.72 -1.26 -2.78 117.46 113.14 1wf6 n PHE 51 Ca -0.06 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.31 1wf6 n PHE 51 Cb 0.60 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.12 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 -0.57 -3.69 0.00 4.37 2.88 -1.26 -4.74 113.62 110.62 1wf6 n SER 52 Ca 0.00 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1wf6 n SER 52 Cb 0.00 -3.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 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 2.01 0.40 0.46 0.46 0.00 -1.26 -4.74 105.19 102.52 1wf6 n GLY 53 Ca -0.21 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.53 -0.94 1.61 3.08 -1.95 0.53 114.38 116.18 1wf6 h ARG 54 Ca 0.00 0.04 0.28 0.00 0.07 0.00 0.00 59.98 60.37 1wf6 h ARG 54 Cb 0.00 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.01 1wf6 h ARG 54 CO 0.00 -0.35 0.23 0.87 -1.07 0.00 0.00 179.97 179.64 1wf6 h LYS 55 N -0.55 0.10 0.00 0.04 1.57 -1.87 0.91 116.57 116.77 1wf6 h LYS 55 Ca 0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wf6 h LYS 55 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1wf6 h LYS 55 CO -0.46 0.07 -0.00 1.25 -0.57 0.00 0.00 179.45 179.73 1wf6 h LEU 56 N 0.10 -0.00 -0.89 2.94 5.85 -1.06 -2.64 115.31 119.62 1wf6 h LEU 56 Ca 0.63 0.00 0.23 0.00 0.84 0.00 0.00 57.88 59.58 1wf6 h LEU 56 Cb 1.38 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.25 1wf6 h LEU 56 CO -0.77 -0.00 -0.03 -0.67 -0.34 0.00 0.00 178.44 176.62 1wf6 n ASP 57 N -2.02 -0.15 -0.02 1.25 2.03 0.16 0.36 116.55 118.16 1wf6 n ASP 57 Ca -0.00 1.52 -0.08 0.00 0.52 0.00 0.00 54.79 56.74 1wf6 n ASP 57 Cb 0.00 -0.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.81 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1wf6 h LYS 58 N 0.00 -0.30 -0.69 -0.67 1.79 0.81 0.42 116.57 117.93 1wf6 h LYS 58 Ca 0.52 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.14 1wf6 h LYS 58 Cb 1.01 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.63 1wf6 h LYS 58 CO -0.86 -0.20 0.19 -0.07 -1.08 0.00 0.00 179.45 177.44 1wf6 h LEU 59 N -0.31 0.08 -1.10 2.94 4.07 0.29 0.81 115.31 122.09 1wf6 h LEU 59 Ca 0.02 0.12 0.16 0.00 0.08 0.00 0.00 57.88 58.27 1wf6 h LEU 59 Cb 0.38 0.15 -0.09 0.00 1.08 0.00 0.00 40.66 42.18 1wf6 h LEU 59 CO -0.27 0.02 0.61 0.03 -1.08 0.00 0.00 178.44 177.75 1wf6 h ARG 60 N 0.31 0.77 0.14 1.13 3.08 0.93 0.75 114.38 121.49 1wf6 h ARG 60 Ca 0.38 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 60.10 1wf6 h ARG 60 Cb 0.60 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1wf6 h ARG 60 CO -0.44 0.51 -1.26 0.00 -1.07 0.00 0.00 179.97 177.71 1wf6 h ARG 61 N 0.79 0.32 0.22 0.04 3.08 0.38 -3.02 114.38 116.19 1wf6 h ARG 61 Ca 0.52 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1wf6 h ARG 61 Cb 0.77 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1wf6 h ARG 61 CO -0.30 1.25 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.68 1wf6 h LEU 62 N 0.09 -0.25 -0.94 3.04 4.07 0.24 0.39 115.31 121.95 1wf6 h LEU 62 Ca -0.15 0.01 0.15 0.00 0.08 0.00 0.00 57.88 57.97 1wf6 h LEU 62 Cb 1.98 0.06 -0.15 0.00 1.08 0.00 0.00 40.66 43.63 1wf6 h LEU 62 CO 0.21 -0.14 -0.38 0.40 -1.08 0.00 0.00 178.44 177.45 1wf6 h ILE 63 N -0.38 0.03 -0.83 1.22 2.04 0.24 1.52 117.51 121.36 1wf6 h ILE 63 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1wf6 h ILE 63 Cb 0.23 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1wf6 h ILE 63 CO 0.05 0.00 0.53 -1.13 0.00 0.00 0.00 178.15 177.60 1wf6 h ASN 64 N -0.02 0.88 0.35 1.72 -1.24 -1.55 0.42 115.58 116.13 1wf6 h ASN 64 Ca 0.33 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.34 1wf6 h ASN 64 Cb 0.59 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1wf6 h ASN 64 CO -0.95 0.60 0.00 -1.28 -1.29 0.00 0.00 177.43 174.51 1wf6 h SER 65 N 1.03 0.00 -0.01 1.15 0.87 0.63 -0.01 113.55 117.21 1wf6 h SER 65 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1wf6 h SER 65 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1wf6 h SER 65 CO -0.12 0.00 -0.10 0.61 -0.53 0.00 0.00 176.83 176.69 1wf6 n GLY 66 N -0.70 -0.12 2.60 5.77 0.00 0.15 -3.83 105.19 109.06 1wf6 n GLY 66 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.84 2.57 3.48 -0.02 0.00 0.15 0.11 105.19 112.32 1wf6 n GLY 67 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.60 3.33 -0.02 0.00 0.60 -4.59 105.19 100.90 1wf6 n GLY 68 Ca 0.00 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 4.16 -0.81 1.61 1.01 0.38 -4.13 120.40 120.18 1wf6 s VAL 69 Ca 0.59 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1wf6 s VAL 69 Cb -0.22 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1wf6 s VAL 69 CO 0.65 -0.18 1.23 -0.60 0.00 0.00 0.00 175.10 176.20 1wf6 s ARG 70 N 1.48 3.31 0.47 2.72 3.52 -1.26 -0.62 118.95 128.57 1wf6 s ARG 70 Ca 0.00 -0.76 -0.21 0.00 -0.13 0.00 0.00 55.73 54.63 1wf6 s ARG 70 Cb -0.19 -4.56 -0.09 0.00 -1.56 0.00 0.00 34.95 28.55 1wf6 s ARG 70 CO 0.05 -2.05 1.04 -0.06 -0.81 0.00 0.00 175.30 173.47 1wf6 s PHE 71 N 4.83 3.06 -0.60 5.12 0.40 0.29 -4.95 117.98 126.13 1wf6 s PHE 71 Ca 0.34 1.59 0.06 0.00 -0.60 0.00 0.00 56.93 58.33 1wf6 s PHE 71 Cb -0.08 -3.07 0.01 0.00 0.51 0.00 0.00 43.02 40.39 1wf6 s PHE 71 CO 0.05 -0.75 0.53 0.27 0.70 0.00 0.00 175.22 176.01 1wf6 n ASN 72 N -0.78 1.05 -4.38 1.36 6.94 -1.26 -3.62 115.26 114.57 1wf6 n ASN 72 Ca 0.08 -1.02 -0.30 0.00 -0.02 0.00 0.00 54.58 53.32 1wf6 n ASN 72 Cb 0.52 0.39 -0.14 0.00 -2.36 0.00 0.00 39.78 38.19 1wf6 n ASN 72 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1wf6 s GLN 73 N -0.92 1.90 -0.29 -3.83 -0.21 -1.26 -5.05 119.66 110.00 1wf6 s GLN 73 Ca 0.05 -1.06 -0.22 0.00 0.02 0.00 0.00 55.36 54.16 1wf6 s GLN 73 Cb 0.05 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 32.01 1wf6 s GLN 73 CO 0.14 0.52 0.69 -1.17 -2.12 0.00 0.00 175.29 173.36 1wf6 s LEU 74 N -1.26 4.11 0.19 2.90 1.98 -1.26 -4.85 118.68 120.49 1wf6 s LEU 74 Ca 0.12 0.58 -0.19 0.00 -2.89 0.00 0.00 54.13 51.76 1wf6 s LEU 74 Cb -0.10 -2.93 0.03 0.00 0.66 0.00 0.00 46.19 43.86 1wf6 s LEU 74 CO 0.03 -0.51 0.55 0.54 -1.89 0.00 0.00 176.35 175.07 1wf6 s ASN 75 N 1.59 -0.31 0.56 3.68 2.20 -1.26 -5.00 114.94 116.40 1wf6 s ASN 75 Ca 0.28 -0.40 0.33 0.00 -0.94 0.00 0.00 52.86 52.13 1wf6 s ASN 75 Cb -0.15 0.59 1.79 0.00 -2.00 0.00 0.00 41.25 41.49 1wf6 s ASN 75 CO 0.11 -1.06 2.00 -0.33 -2.94 0.00 0.00 177.10 174.88 1wf6 h GLU 76 N 2.15 0.00 -0.76 3.55 5.08 -1.95 0.42 114.58 123.07 1wf6 h GLU 76 Ca -0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1wf6 h GLU 76 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1wf6 h GLU 76 CO 0.36 0.00 0.36 -0.44 -1.00 0.00 0.00 179.01 178.30 1wf6 h ASP 77 N 0.00 1.00 -2.17 1.42 5.19 -1.95 -3.43 116.42 116.48 1wf6 h ASP 77 Ca 0.00 -0.14 -0.62 0.00 -0.62 0.00 0.00 57.03 55.65 1wf6 h ASP 77 Cb 0.24 -0.26 0.07 0.00 0.18 0.00 0.00 39.33 39.57 1wf6 h ASP 77 CO 0.00 0.85 0.52 0.52 -3.12 0.00 0.00 179.24 178.01 1wf6 n VAL 78 N -4.38 0.53 0.19 -1.35 0.31 0.14 -4.75 118.33 109.00 1wf6 n VAL 78 Ca 0.07 -0.13 0.08 0.00 -0.01 0.00 0.00 64.34 64.34 1wf6 n VAL 78 Cb 0.14 -1.17 -0.12 0.00 -0.91 0.00 0.00 33.84 31.79 1wf6 n VAL 78 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wf6 n THR 79 N 2.24 0.00 -3.60 2.52 -2.24 0.33 -4.69 114.28 108.83 1wf6 n THR 79 Ca 0.15 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1wf6 n THR 79 Cb 0.26 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.95 -0.68 -0.28 4.78 3.76 -1.15 -1.72 115.29 117.04 1wf6 s HIS 80 Ca -0.03 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.45 1wf6 s HIS 80 Cb 0.11 0.33 0.07 0.00 1.11 0.00 0.00 32.58 34.20 1wf6 s HIS 80 CO 0.66 -0.41 -0.05 0.08 -0.85 0.00 0.00 174.74 174.17 1wf6 s VAL 81 N -0.10 2.12 -0.64 -0.90 1.01 0.54 0.15 120.40 122.59 1wf6 s VAL 81 Ca -0.02 -1.81 -0.27 0.00 0.00 0.00 0.00 61.98 59.88 1wf6 s VAL 81 Cb -0.04 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1wf6 s VAL 81 CO 0.02 -0.21 1.52 -0.63 0.00 0.00 0.00 175.10 175.80 1wf6 s ILE 82 N 1.08 3.61 -0.22 2.22 -1.09 0.21 -1.31 121.20 125.70 1wf6 s ILE 82 Ca -0.03 0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 58.70 1wf6 s ILE 82 Cb -0.20 -4.42 -0.05 0.00 -1.58 0.00 0.00 42.46 36.21 1wf6 s ILE 82 CO -0.06 -1.31 0.22 -0.69 -1.23 0.00 0.00 174.94 171.87 1wf6 s VAL 83 N 6.97 5.32 -0.21 2.92 1.01 0.56 -2.04 120.40 134.93 1wf6 s VAL 83 Ca 0.52 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1wf6 s VAL 83 Cb -0.11 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 1wf6 s VAL 83 CO 0.20 0.34 -0.03 0.61 0.00 0.00 0.00 175.10 176.22 1wf6 n GLY 84 N 4.05 -0.77 0.40 4.51 0.00 -0.95 -3.91 105.19 108.53 1wf6 n GLY 84 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.44 2.38 -3.61 1.61 -0.08 -1.12 -4.99 116.55 106.31 1wf6 n ASP 85 Ca -0.30 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 52.93 1wf6 n ASP 85 Cb 0.62 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.05 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 -1.99 -0.15 -0.24 -0.67 1.13 -1.26 -5.06 117.35 109.10 1wf6 s TYR 86 Ca 0.00 0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.88 1wf6 s TYR 86 Cb 0.00 0.49 0.05 0.00 -1.10 0.00 0.00 41.96 41.41 1wf6 s TYR 86 CO 0.00 -0.18 -0.12 0.34 -2.51 0.00 0.00 175.55 173.07 1wf6 s ASP 87 N -1.57 4.05 -0.07 -0.18 -1.08 -1.26 -2.54 116.67 114.01 1wf6 s ASP 87 Ca 0.07 -1.19 -0.15 0.00 -0.52 0.00 0.00 52.55 50.76 1wf6 s ASP 87 Cb -0.01 -1.47 -0.11 0.00 -1.46 0.00 0.00 42.92 39.87 1wf6 s ASP 87 CO -0.04 -0.15 0.57 0.44 0.52 0.00 0.00 175.17 176.50 1wf6 h ASP 88 N 7.84 -0.19 -0.37 -0.34 5.19 -2.00 -3.16 116.42 123.38 1wf6 h ASP 88 Ca -0.25 -0.23 0.07 0.00 -0.62 0.00 0.00 57.03 56.00 1wf6 h ASP 88 Cb 1.07 0.05 -0.09 0.00 0.18 0.00 0.00 39.33 40.54 1wf6 h ASP 88 CO 0.49 0.36 -0.43 -0.33 -3.12 0.00 0.00 179.24 176.21 1wf6 h GLU 89 N -0.99 -0.34 -0.78 3.56 3.07 -1.99 -1.56 114.58 115.56 1wf6 h GLU 89 Ca -0.02 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1wf6 h GLU 89 Cb 0.41 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.30 1wf6 h GLU 89 CO 0.04 -0.22 -0.47 1.25 -1.40 0.00 0.00 179.01 178.20 1wf6 h LEU 90 N -0.35 -1.73 -0.96 1.33 5.85 -1.97 1.81 115.31 119.29 1wf6 h LEU 90 Ca 0.13 0.26 0.24 0.00 0.84 0.00 0.00 57.88 59.35 1wf6 h LEU 90 Cb 0.59 0.76 -0.18 0.00 0.37 0.00 0.00 40.66 42.21 1wf6 h LEU 90 CO -0.55 -0.19 -0.05 0.11 -0.34 0.00 0.00 178.44 177.41 1wf6 h LYS 91 N -0.01 0.02 0.12 1.25 1.57 -1.27 1.47 116.57 119.73 1wf6 h LYS 91 Ca 0.13 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1wf6 h LYS 91 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1wf6 h LYS 91 CO -0.74 0.01 -0.06 1.96 -0.57 0.00 0.00 179.45 180.05 1wf6 h GLN 92 N 0.02 -0.16 -0.29 3.15 1.08 0.14 -2.97 115.11 116.07 1wf6 h GLN 92 Ca 0.54 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.83 1wf6 h GLN 92 Cb 1.02 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1wf6 h GLN 92 CO -0.92 0.26 0.31 0.35 -0.95 0.00 0.00 178.83 177.88 1wf6 h PHE 93 N -0.64 0.00 0.00 2.96 3.57 0.58 1.41 116.94 124.82 1wf6 h PHE 93 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wf6 h PHE 93 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1wf6 h PHE 93 CO 0.07 0.00 0.00 0.91 -2.23 0.00 0.00 178.31 177.06 1wf6 n TRP 94 N -3.79 0.42 -0.29 0.41 8.01 0.47 -1.63 117.44 121.04 1wf6 n TRP 94 Ca 0.04 0.15 0.03 0.00 -1.31 0.00 0.00 57.50 56.42 1wf6 n TRP 94 Cb 0.46 -0.75 0.07 0.00 -2.01 0.00 0.00 31.31 29.08 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 -1.87 2.36 0.00 -0.99 2.85 0.48 -4.80 115.26 113.29 1wf6 n ASN 95 Ca 0.04 -2.26 0.00 0.00 -0.11 0.00 0.00 54.58 52.25 1wf6 n ASN 95 Cb 0.24 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.11 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 -0.47 0.00 -3.75 1.20 5.02 -0.65 -5.07 118.16 114.44 1wf6 n LYS 96 Ca 0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 1wf6 n LYS 96 Cb 0.39 -0.07 -0.02 0.00 -0.02 0.00 0.00 35.03 35.31 1wf6 n LYS 96 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wf6 s SER 97 N -1.33 6.34 -0.64 4.39 0.01 -0.94 -5.05 113.70 116.48 1wf6 s SER 97 Ca 0.00 0.27 -0.19 0.00 1.31 0.00 0.00 55.95 57.35 1wf6 s SER 97 Cb 0.00 -1.95 0.12 0.00 0.21 0.00 0.00 66.02 64.39 1wf6 s SER 97 CO 0.00 -0.10 0.75 0.00 0.41 0.00 0.00 173.24 174.30 1wf6 s ALA 98 N -2.00 3.46 0.00 1.44 0.00 -1.26 -4.64 121.76 118.77 1wf6 s ALA 98 Ca 0.37 -2.37 -0.28 0.00 0.00 0.00 0.00 51.96 49.68 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 0.31 -2.41 0.83 -1.58 0.00 0.00 0.00 175.76 172.91 1wf6 s HIS 99 N 2.49 -0.41 -0.46 0.00 5.04 -1.26 -5.02 115.29 115.67 1wf6 s HIS 99 Ca 0.14 0.36 0.03 0.00 -1.54 0.00 0.00 55.06 54.05 1wf6 s HIS 99 Cb -0.21 0.52 0.13 0.00 0.04 0.00 0.00 32.58 33.06 1wf6 s HIS 99 CO 0.04 -0.58 0.24 0.50 -2.34 0.00 0.00 174.74 172.59 1wf6 s ARG 100 N -2.82 1.50 0.27 2.88 6.06 -1.26 -4.95 118.95 120.63 1wf6 s ARG 100 Ca 0.02 -2.19 -0.30 0.00 -2.50 0.00 0.00 55.73 50.77 1wf6 s ARG 100 Cb -0.01 -2.66 -0.09 0.00 0.06 0.00 0.00 34.95 32.25 1wf6 s ARG 100 CO -0.07 -1.14 1.08 -1.25 -2.50 0.00 0.00 175.30 171.43 1wf6 s PRO 101 N 0.18 4.66 -0.52 5.12 0.04 -1.26 -4.92 135.00 138.30 1wf6 s PRO 101 Ca 0.17 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 1wf6 s PRO 101 Cb -0.25 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 1wf6 s PRO 101 CO -0.00 0.23 2.32 -1.01 0.04 0.00 0.00 177.00 178.58 1wf6 s HIS 102 N -1.07 1.17 -0.32 0.56 3.76 -0.70 -4.62 115.29 114.07 1wf6 s HIS 102 Ca 0.45 1.45 -0.21 0.00 -0.15 0.00 0.00 55.06 56.60 1wf6 s HIS 102 Cb -0.31 -3.66 -0.00 0.00 1.11 0.00 0.00 32.58 29.71 1wf6 s HIS 102 CO 0.40 -2.48 0.67 0.54 -0.85 0.00 0.00 174.74 173.02 1wf6 s VAL 103 N 11.76 4.89 0.31 -0.90 0.11 -1.26 0.20 120.40 135.51 1wf6 s VAL 103 Ca 0.92 0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 60.86 1wf6 s VAL 103 Cb -0.16 -4.05 -0.02 0.00 -1.53 0.00 0.00 36.38 30.62 1wf6 s VAL 103 CO 0.25 -0.20 0.36 0.68 -3.33 0.00 0.00 175.10 172.85 1wf6 s VAL 104 N 2.72 0.00 0.07 2.04 -7.23 -0.43 -1.16 120.40 116.41 1wf6 s VAL 104 Ca 0.27 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1wf6 s VAL 104 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1wf6 s VAL 104 CO 0.13 0.00 0.12 -0.83 -0.31 0.00 0.00 175.10 174.21 1wf6 s GLY 105 N -3.24 2.08 0.41 2.32 0.00 -1.01 0.21 107.32 108.08 1wf6 s GLY 105 Ca 0.34 -0.94 0.26 0.00 0.00 0.00 0.00 44.72 44.38 1wf6 s GLY 105 CO 0.20 -0.92 1.61 0.00 0.00 0.00 0.00 173.10 174.00 1wf6 h ALA 106 N 3.30 2.51 -0.98 3.20 0.00 -1.87 0.74 119.26 126.16 1wf6 h ALA 106 Ca -0.46 0.16 0.27 0.00 0.00 0.00 0.00 54.91 54.88 1wf6 h ALA 106 Cb 1.16 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 19.01 1wf6 h ALA 106 CO 0.69 -1.18 0.02 1.17 0.00 0.00 0.00 179.25 179.95 1wf6 n LYS 107 N -4.88 -0.08 0.10 0.00 4.81 -1.26 0.08 118.16 116.92 1wf6 n LYS 107 Ca 0.37 1.46 -0.07 0.00 -0.87 0.00 0.00 58.31 59.20 1wf6 n LYS 107 Cb 1.35 -2.32 -0.04 0.00 0.02 0.00 0.00 35.03 34.04 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 -0.55 -1.00 5.64 7.01 0.17 0.21 115.95 127.43 1wf6 h TRP 108 Ca 0.59 0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.76 1wf6 h TRP 108 Cb 1.23 0.22 -0.16 0.00 -2.10 0.00 0.00 29.16 28.34 1wf6 h TRP 108 CO -0.49 -0.25 -0.38 -0.11 -2.79 0.00 0.00 178.44 174.42 1wf6 n LEU 109 N -3.53 -0.62 -0.08 0.65 7.94 0.11 0.68 117.00 122.14 1wf6 n LEU 109 Ca -0.04 1.74 -0.14 0.00 -1.11 0.00 0.00 56.01 56.46 1wf6 n LEU 109 Cb 0.17 -0.41 -0.10 0.00 0.53 0.00 0.00 43.42 43.62 1wf6 n LEU 109 CO 0.09 -1.57 0.50 -0.07 -1.11 0.00 0.00 177.39 175.23 1wf6 h LEU 110 N 0.00 -1.75 -1.20 -1.96 3.38 -0.28 0.69 115.31 114.19 1wf6 h LEU 110 Ca 0.36 0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.67 1wf6 h LEU 110 Cb 0.61 0.70 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1wf6 h LEU 110 CO -0.99 -0.42 0.58 -0.33 0.09 0.00 0.00 178.44 177.37 1wf6 h GLU 111 N -0.46 0.81 0.78 1.13 4.39 0.17 1.55 114.58 122.95 1wf6 h GLU 111 Ca 0.05 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1wf6 h GLU 111 Cb 0.61 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wf6 h GLU 111 CO -0.51 0.54 -0.41 0.00 -1.16 0.00 0.00 179.01 177.46 1wf6 h PHE 113 N -1.09 0.00 0.03 0.00 0.04 0.10 0.57 116.94 116.60 1wf6 h PHE 113 Ca -0.10 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.39 1wf6 h PHE 113 Cb 0.85 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.03 1wf6 h PHE 113 CO -0.05 0.16 -1.09 1.03 -0.60 0.00 0.00 178.31 177.76 1wf6 h SER 114 N 0.00 0.88 1.30 2.17 0.87 0.28 -3.21 113.55 115.84 1wf6 h SER 114 Ca -0.00 -0.73 -0.12 0.00 -1.23 0.00 0.00 61.79 59.70 1wf6 h SER 114 Cb 0.49 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1wf6 h SER 114 CO 0.02 1.54 -0.73 0.11 -0.53 0.00 0.00 176.83 177.24 1wf6 h LYS 115 N 0.36 0.00 0.00 2.24 1.79 0.21 -3.47 116.57 117.70 1wf6 h LYS 115 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1wf6 h LYS 115 Cb 1.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1wf6 h LYS 115 CO 0.21 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.48 1wf6 n GLY 116 N 1.27 1.63 2.90 3.86 0.00 0.19 -4.99 105.19 110.06 1wf6 n GLY 116 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.39 0.17 0.27 1.61 1.13 -0.80 -4.26 117.35 113.08 1wf6 s TYR 117 Ca 0.00 -0.04 -0.30 0.00 -1.41 0.00 0.00 57.07 55.32 1wf6 s TYR 117 Cb 0.00 -0.11 -0.14 0.00 -1.10 0.00 0.00 41.96 40.62 1wf6 s TYR 117 CO 0.00 -0.01 1.24 -1.33 -2.51 0.00 0.00 175.55 172.94 1wf6 n MET 118 N 3.00 1.75 -3.91 -3.49 2.81 -1.26 -4.51 117.12 111.51 1wf6 n MET 118 Ca -0.13 0.62 -0.25 0.00 -1.81 0.00 0.00 57.70 56.13 1wf6 n MET 118 Cb 0.59 -2.16 -0.03 0.00 -0.71 0.00 0.00 33.22 30.91 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 -0.01 2.91 0.33 4.03 1.43 -1.26 -5.03 118.68 121.08 1wf6 s LEU 119 Ca 0.63 -1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 1wf6 s LEU 119 Cb -0.67 -1.39 -0.12 0.00 0.03 0.00 0.00 46.19 44.03 1wf6 s LEU 119 CO 0.56 -0.89 1.37 -1.20 0.23 0.00 0.00 176.35 176.41 1wf6 n SER 120 N -1.59 3.06 0.00 2.29 7.64 -1.26 -4.89 113.62 118.86 1wf6 n SER 120 Ca -0.01 1.20 0.11 0.00 1.01 0.00 0.00 58.87 61.18 1wf6 n SER 120 Cb 0.64 -1.51 0.03 0.00 -1.01 0.00 0.00 64.21 62.35 1wf6 n SER 120 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wf6 n GLU 121 N 0.81 0.00 -0.07 1.43 1.02 -1.26 -4.17 120.64 118.40 1wf6 n GLU 121 Ca 0.05 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1wf6 n GLU 121 Cb 0.36 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wf6 h GLU 122 N 0.00 0.57 0.00 3.49 5.08 -1.94 -2.23 114.58 119.55 1wf6 h GLU 122 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1wf6 h GLU 122 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wf6 h GLU 122 CO 0.00 0.92 0.00 -0.35 -1.00 0.00 0.00 179.01 178.58 1wf6 n PRO 123 N -4.35 0.75 -1.80 2.33 -0.04 -1.26 -2.66 135.00 127.96 1wf6 n PRO 123 Ca -0.05 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1wf6 n PRO 123 Cb 0.46 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.82 0.48 -2.43 0.54 4.01 -1.03 -4.88 117.16 113.03 1wf6 n TYR 124 Ca 0.11 -1.13 -0.41 0.00 -0.16 0.00 0.00 57.90 56.31 1wf6 n TYR 124 Cb 0.05 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 38.85 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 -1.59 3.48 -0.46 -0.72 -1.09 -0.87 -2.39 121.20 117.55 1wf6 s ILE 125 Ca 0.33 1.42 -0.15 0.00 -2.23 0.00 0.00 60.65 60.02 1wf6 s ILE 125 Cb 0.37 -3.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.41 1wf6 s ILE 125 CO -0.11 0.31 0.38 -2.28 -1.23 0.00 0.00 174.94 172.00 1wf6 s HIS 126 N -0.87 3.25 0.00 3.97 2.46 -0.30 -4.80 115.29 119.00 1wf6 s HIS 126 Ca 0.47 -0.91 0.00 0.00 0.47 0.00 0.00 55.06 55.09 1wf6 s HIS 126 Cb -0.32 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 1wf6 s HIS 126 CO 0.40 -0.77 0.00 0.45 -2.47 0.00 0.00 174.74 172.35 1wf6 n SER 127 N 5.19 0.00 0.00 9.88 2.88 -1.26 -4.79 113.62 125.51 1wf6 n SER 127 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wf6 n SER 127 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1wf6 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 128 N 3.39 0.14 3.80 0.46 0.00 -1.26 -5.10 105.19 106.61 1wf6 n GLY 128 Ca 0.00 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 1wf6 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf6 s PRO 129 N 0.00 3.78 0.31 1.61 0.04 -1.26 -4.85 135.00 134.63 1wf6 s PRO 129 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1wf6 s PRO 129 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1wf6 s PRO 129 CO 0.00 -0.45 0.00 0.43 0.04 0.00 0.00 177.00 177.02 1wf6 n SER 130 N -1.04 -4.85 -3.65 6.66 7.64 -1.26 -5.05 113.62 112.08 1wf6 n SER 130 Ca 0.09 0.69 -0.01 0.00 1.01 0.00 0.00 58.87 60.65 1wf6 n SER 130 Cb 0.53 -2.77 -0.06 0.00 -1.01 0.00 0.00 64.21 60.89 1wf6 n SER 130 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wf6 s SER 131 N -6.15 -0.29 0.00 6.43 0.15 -1.26 -5.24 113.70 107.34 1wf6 s SER 131 Ca 0.00 0.47 0.27 0.00 0.70 0.00 0.00 55.95 57.39 1wf6 s SER 131 Cb 0.00 1.02 0.83 0.00 -1.71 0.00 0.00 66.02 66.16 1wf6 s SER 131 CO 0.00 -0.08 1.62 0.61 1.20 0.00 0.00 173.24 176.59