#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf6 s SER 2 N 0.00 0.05 1.09 1.61 0.01 -1.26 -5.15 113.70 110.05 1wf6 s SER 2 Ca 0.00 -1.07 -0.21 0.00 1.31 0.00 0.00 55.95 55.98 1wf6 s SER 2 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1wf6 s SER 2 CO 0.00 -0.95 -0.40 -0.24 0.41 0.00 0.00 173.24 172.07 1wf6 n SER 3 N -0.28 -2.55 -1.02 2.44 2.88 -1.26 -5.02 113.62 108.82 1wf6 n SER 3 Ca -0.03 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wf6 n SER 3 Cb 0.64 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1wf6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 4 N 2.41 1.23 3.75 0.46 0.00 -1.26 -5.15 105.19 106.62 1wf6 n GLY 4 Ca -0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 1wf6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf6 s SER 5 N -1.00 -0.22 -0.19 1.61 1.04 -1.26 -5.18 113.70 108.50 1wf6 s SER 5 Ca 0.00 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 55.74 1wf6 s SER 5 Cb 0.00 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.77 1wf6 s SER 5 CO 0.00 -0.97 0.99 -0.44 0.98 0.00 0.00 173.24 173.80 1wf6 s SER 6 N -2.90 -0.41 0.00 7.02 0.01 -1.26 -5.18 113.70 110.97 1wf6 s SER 6 Ca 0.11 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1wf6 s SER 6 Cb -0.02 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1wf6 s SER 6 CO 0.02 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1wf6 n GLY 7 N 1.24 0.68 3.55 3.44 0.00 -1.26 -5.09 105.19 107.75 1wf6 n GLY 7 Ca -0.11 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1wf6 n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wf6 n SER 8 N 0.00 2.25 -3.63 1.61 3.41 -1.26 -4.87 113.62 111.13 1wf6 n SER 8 Ca 0.00 -0.49 -0.15 0.00 -0.26 0.00 0.00 58.87 57.98 1wf6 n SER 8 Cb 0.00 -1.56 -0.07 0.00 -0.26 0.00 0.00 64.21 62.32 1wf6 n SER 8 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wf6 s GLU 9 N 8.31 0.90 -0.21 4.33 2.02 -1.26 -5.11 118.70 127.69 1wf6 s GLU 9 Ca 0.99 -0.08 -0.31 0.00 0.02 0.00 0.00 54.97 55.59 1wf6 s GLU 9 Cb -0.21 0.41 -0.08 0.00 0.10 0.00 0.00 34.13 34.34 1wf6 s GLU 9 CO 0.27 -0.29 2.13 0.43 0.02 0.00 0.00 175.26 177.82 1wf6 n SER 10 N 0.88 3.06 -4.20 -0.19 7.64 -1.26 -4.94 113.62 114.61 1wf6 n SER 10 Ca -0.20 0.47 -0.18 0.00 1.01 0.00 0.00 58.87 59.97 1wf6 n SER 10 Cb 0.58 -1.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.23 1wf6 n SER 10 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1wf6 s ILE 11 N 6.89 1.21 0.26 0.44 -5.25 -1.26 -5.13 121.20 118.36 1wf6 s ILE 11 Ca 1.01 -1.48 -0.30 0.00 -0.99 0.00 0.00 60.65 58.89 1wf6 s ILE 11 Cb -0.56 -1.27 -0.09 0.00 2.95 0.00 0.00 42.46 43.48 1wf6 s ILE 11 CO 0.43 -0.30 1.08 0.00 -1.79 0.00 0.00 174.94 174.36 1wf6 s ASN 13 N -0.78 1.62 0.13 0.00 2.47 -1.26 -5.15 114.94 111.98 1wf6 s ASN 13 Ca 0.45 -0.87 -0.12 0.00 0.42 0.00 0.00 52.86 52.74 1wf6 s ASN 13 Cb -0.31 -0.01 -0.07 0.00 -1.45 0.00 0.00 41.25 39.42 1wf6 s ASN 13 CO 0.39 -0.26 0.50 -0.44 -3.72 0.00 0.00 177.10 173.57 1wf6 s SER 14 N -2.65 6.74 0.86 -4.21 0.01 -1.26 -5.07 113.70 108.13 1wf6 s SER 14 Ca 0.09 0.97 -0.11 0.00 1.31 0.00 0.00 55.95 58.21 1wf6 s SER 14 Cb -0.02 -2.25 0.11 0.00 0.21 0.00 0.00 66.02 64.08 1wf6 s SER 14 CO 0.01 0.11 1.10 -0.76 0.41 0.00 0.00 173.24 174.10 1wf6 s LEU 15 N -2.03 2.66 0.03 2.44 1.43 -1.26 -5.06 118.68 116.90 1wf6 s LEU 15 Ca 0.37 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 55.11 1wf6 s LEU 15 Cb -0.14 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.80 1wf6 s LEU 15 CO 0.19 -2.57 0.40 0.21 0.23 0.00 0.00 176.35 174.80 1wf6 s ASN 16 N -3.17 -0.26 -1.07 2.29 2.47 -1.26 -4.95 114.94 108.98 1wf6 s ASN 16 Ca 0.63 0.01 -0.03 0.00 0.42 0.00 0.00 52.86 53.90 1wf6 s ASN 16 Cb -0.19 0.41 -0.03 0.00 -1.45 0.00 0.00 41.25 39.99 1wf6 s ASN 16 CO 0.57 -0.63 0.91 -0.24 -3.72 0.00 0.00 177.10 173.99 1wf6 n SER 17 N 0.62 -4.00 -4.36 -4.21 2.88 -1.26 -4.76 113.62 98.53 1wf6 n SER 17 Ca -0.19 -0.62 -0.58 0.00 -1.33 0.00 0.00 58.87 56.15 1wf6 n SER 17 Cb 0.59 -4.91 -0.10 0.00 -0.75 0.00 0.00 64.21 59.04 1wf6 n SER 17 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wf6 n LYS 18 N -3.58 0.33 -1.59 -1.46 0.00 -1.26 -4.21 118.16 106.39 1wf6 n LYS 18 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.22 1wf6 n LYS 18 Cb 0.64 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1wf6 n LYS 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1wf6 n LEU 19 N 7.72 -1.92 -4.44 3.14 0.00 -1.26 -3.95 117.00 116.30 1wf6 n LEU 19 Ca 0.48 2.96 -0.39 0.00 0.00 0.00 0.00 56.01 59.06 1wf6 n LEU 19 Cb 0.03 -3.10 0.02 0.00 0.00 0.00 0.00 43.42 40.38 1wf6 n LEU 19 CO 0.85 -0.28 -0.02 -0.62 0.00 0.00 0.00 177.39 177.32 1wf6 n GLU 20 N -1.89 0.48 -1.33 1.96 1.02 -1.26 -4.73 120.64 114.89 1wf6 n GLU 20 Ca 0.00 0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 56.92 1wf6 n GLU 20 Cb 0.28 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.35 2.29 -4.38 3.49 -0.04 -1.26 -4.77 135.00 130.67 1wf6 n PRO 21 Ca 0.11 -2.11 -0.28 0.00 -0.04 0.00 0.00 63.50 61.18 1wf6 n PRO 21 Cb 0.45 -2.99 -0.07 0.00 -0.04 0.00 0.00 33.50 30.85 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 3.86 1.84 -0.03 0.52 -4.23 -1.26 -4.61 115.64 111.73 1wf6 s THR 22 Ca 0.52 -1.82 -0.23 0.00 -1.18 0.00 0.00 61.69 58.99 1wf6 s THR 22 Cb 0.14 -2.66 -0.16 0.00 1.34 0.00 0.00 72.50 71.16 1wf6 s THR 22 CO 0.00 0.00 1.00 0.25 -0.54 0.00 0.00 174.62 175.33 1wf6 h LEU 23 N 1.40 -0.21 -1.94 4.79 5.85 -1.94 -1.87 115.31 121.40 1wf6 h LEU 23 Ca -0.43 -0.32 0.56 0.00 0.84 0.00 0.00 57.88 58.53 1wf6 h LEU 23 Cb 1.27 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1wf6 h LEU 23 CO 0.72 0.29 1.35 -0.33 -0.34 0.00 0.00 178.44 180.14 1wf6 h GLU 24 N -0.80 0.00 -1.41 1.25 5.08 -1.97 0.89 114.58 117.63 1wf6 h GLU 24 Ca -0.03 -0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.84 1wf6 h GLU 24 Cb 0.52 -0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.36 1wf6 h GLU 24 CO 0.04 0.00 -0.93 0.09 -1.00 0.00 0.00 179.01 177.21 1wf6 n ASN 25 N -4.03 3.18 0.09 1.42 3.02 -1.15 -4.81 115.26 112.98 1wf6 n ASN 25 Ca 0.43 -3.28 -0.15 0.00 -0.03 0.00 0.00 54.58 51.55 1wf6 n ASN 25 Cb 1.95 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 40.52 1wf6 n ASN 25 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wf6 h LEU 26 N 2.80 0.52 -0.48 3.41 5.85 0.17 0.11 115.31 127.68 1wf6 h LEU 26 Ca 0.12 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1wf6 h LEU 26 Cb 0.99 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1wf6 h LEU 26 CO 0.69 1.31 0.00 -0.33 -0.34 0.00 0.00 178.44 179.77 1wf6 h GLU 27 N 0.17 0.00 -0.00 1.25 5.08 -1.87 -2.58 114.58 116.63 1wf6 h GLU 27 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1wf6 h GLU 27 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1wf6 h GLU 27 CO 0.19 0.00 -0.56 0.09 -1.00 0.00 0.00 179.01 177.73 1wf6 n ASN 28 N -2.37 0.82 -4.70 1.42 3.02 -1.15 -4.96 115.26 107.34 1wf6 n ASN 28 Ca 0.03 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.25 1wf6 n ASN 28 Cb 0.32 0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 40.35 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 -2.48 4.34 -0.82 3.41 1.98 0.36 -4.34 118.68 121.13 1wf6 s LEU 29 Ca 0.07 1.99 -0.20 0.00 -2.89 0.00 0.00 54.13 53.09 1wf6 s LEU 29 Cb 0.10 -3.57 0.11 0.00 0.66 0.00 0.00 46.19 43.49 1wf6 s LEU 29 CO 0.51 -0.54 1.05 -0.62 -1.89 0.00 0.00 176.35 174.87 1wf6 s ASP 30 N 1.27 6.44 0.42 3.68 2.15 -1.26 -4.85 116.67 124.52 1wf6 s ASP 30 Ca 0.59 -1.63 0.18 0.00 0.43 0.00 0.00 52.55 52.11 1wf6 s ASP 30 Cb -0.29 -2.40 1.09 0.00 -0.30 0.00 0.00 42.92 41.02 1wf6 s ASP 30 CO 0.27 -1.21 1.85 1.62 -0.17 0.00 0.00 175.17 177.53 1wf6 h VAL 31 N 5.91 0.67 0.00 1.11 3.04 -1.92 1.50 116.25 126.56 1wf6 h VAL 31 Ca -0.02 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1wf6 h VAL 31 Cb 1.04 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1wf6 h VAL 31 CO 1.14 0.07 0.00 -0.24 -1.01 0.00 0.00 177.57 177.53 1wf6 n SER 32 N -4.51 0.57 -0.04 3.17 2.88 -1.26 -1.75 113.62 112.68 1wf6 n SER 32 Ca 0.20 0.72 -0.13 0.00 -1.33 0.00 0.00 58.87 58.33 1wf6 n SER 32 Cb 0.71 -0.81 -0.08 0.00 -0.75 0.00 0.00 64.21 63.28 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wf6 h ALA 33 N 2.09 0.14 -1.50 -1.46 0.00 0.17 -3.44 119.26 115.26 1wf6 h ALA 33 Ca 0.00 -0.29 -0.74 0.00 0.00 0.00 0.00 54.91 53.88 1wf6 h ALA 33 Cb 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wf6 h ALA 33 CO 0.00 -0.04 0.77 1.19 0.00 0.00 0.00 179.25 181.17 1wf6 n PHE 34 N -4.68 1.88 1.19 0.00 3.72 -0.72 -4.81 117.46 114.05 1wf6 n PHE 34 Ca -0.07 0.63 0.12 0.00 -0.05 0.00 0.00 57.45 58.09 1wf6 n PHE 34 Cb 0.31 -2.40 0.37 0.00 -0.94 0.00 0.00 39.48 36.82 1wf6 n PHE 34 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wf6 n GLN 35 N 4.60 1.90 -0.84 -1.08 6.02 -1.26 -4.96 117.38 121.75 1wf6 n GLN 35 Ca 0.25 -1.33 -0.35 0.00 -0.01 0.00 0.00 57.00 55.56 1wf6 n GLN 35 Cb 0.12 -1.45 0.10 0.00 1.02 0.00 0.00 30.24 30.02 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 0.58 -4.86 -1.59 -1.58 0.00 -1.21 -4.92 120.51 106.94 1wf6 n ALA 36 Ca 0.17 -1.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.07 1wf6 n ALA 36 Cb 0.42 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.74 3.01 0.00 0.00 0.04 -1.26 -4.93 135.00 129.13 1wf6 s PRO 37 Ca 0.46 0.99 0.27 0.00 0.04 0.00 0.00 61.00 62.76 1wf6 s PRO 37 Cb -0.04 -2.00 1.61 0.00 0.04 0.00 0.00 34.50 34.11 1wf6 s PRO 37 CO 0.68 -1.04 1.96 0.39 0.04 0.00 0.00 177.00 179.02 1wf6 n GLU 38 N -2.96 0.84 -0.19 4.56 1.02 -1.25 -2.28 120.64 120.38 1wf6 n GLU 38 Ca 0.08 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1wf6 n GLU 38 Cb 0.53 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.00 1.54 -0.36 1.62 8.00 -1.10 -2.80 116.55 122.44 1wf6 n ASP 39 Ca 0.20 -2.60 0.02 0.00 0.71 0.00 0.00 54.79 53.12 1wf6 n ASP 39 Cb 0.09 -0.31 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.89 -0.51 -3.59 0.64 7.94 0.43 -0.76 117.00 120.26 1wf6 n LEU 40 Ca 0.09 1.68 -0.35 0.00 -1.11 0.00 0.00 56.01 56.33 1wf6 n LEU 40 Cb 0.62 -0.44 -0.03 0.00 0.53 0.00 0.00 43.42 44.11 1wf6 n LEU 40 CO 0.01 -1.55 0.69 0.18 -1.11 0.00 0.00 177.39 175.60 1wf6 n LEU 41 N -5.49 5.42 -4.70 -1.96 4.77 0.40 -4.77 117.00 110.66 1wf6 n LEU 41 Ca 0.12 -5.39 -0.42 0.00 -0.03 0.00 0.00 56.01 50.29 1wf6 n LEU 41 Cb 0.43 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1wf6 n LEU 41 CO -0.13 1.97 0.94 -0.62 -1.33 0.00 0.00 177.39 178.23 1wf6 s ASP 42 N -2.21 7.03 -1.54 -1.43 2.15 0.06 -0.80 116.67 119.93 1wf6 s ASP 42 Ca 0.38 2.00 -0.13 0.00 0.43 0.00 0.00 52.55 55.23 1wf6 s ASP 42 Cb 0.14 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.28 1wf6 s ASP 42 CO -0.01 -0.54 0.87 0.61 -0.17 0.00 0.00 175.17 175.94 1wf6 n GLY 43 N 3.32 -0.45 3.15 2.66 0.00 -1.26 -4.95 105.19 107.66 1wf6 n GLY 43 Ca 0.10 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 1.30 3.06 0.18 0.00 0.52 -1.26 0.16 118.95 122.91 1wf6 s ARG 45 Ca 0.03 -0.84 0.09 0.00 -0.52 0.00 0.00 55.73 54.48 1wf6 s ARG 45 Cb -0.14 -3.98 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 1wf6 s ARG 45 CO -0.10 -0.84 -0.07 0.42 0.02 0.00 0.00 175.30 174.73 1wf6 s ILE 46 N 2.02 3.33 -0.19 1.52 1.01 -0.84 0.11 121.20 128.16 1wf6 s ILE 46 Ca 0.10 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 59.14 1wf6 s ILE 46 Cb -0.18 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1wf6 s ILE 46 CO 0.12 -0.13 -0.17 -0.47 0.00 0.00 0.00 174.94 174.30 1wf6 s TYR 47 N -1.75 2.85 -0.06 3.97 6.14 0.39 -1.04 117.35 127.86 1wf6 s TYR 47 Ca 0.26 -1.63 -0.25 0.00 0.64 0.00 0.00 57.07 56.09 1wf6 s TYR 47 Cb -0.09 -1.94 -0.03 0.00 0.42 0.00 0.00 41.96 40.32 1wf6 s TYR 47 CO 0.16 -0.79 0.78 -0.51 0.64 0.00 0.00 175.55 175.84 1wf6 s LEU 48 N 1.29 4.32 -0.01 6.97 1.43 -1.26 -0.31 118.68 131.12 1wf6 s LEU 48 Ca 0.04 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1wf6 s LEU 48 Cb -0.14 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1wf6 s LEU 48 CO -0.11 -0.17 0.02 0.00 0.23 0.00 0.00 176.35 176.32 1wf6 n GLY 50 N 2.92 0.33 2.81 0.00 0.00 -1.25 -2.05 105.19 107.95 1wf6 n GLY 50 Ca -0.13 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.13 0.11 -0.27 1.61 0.08 -1.26 -4.29 117.98 110.83 1wf6 s PHE 51 Ca 0.23 0.06 -0.25 0.00 0.12 0.00 0.00 56.93 57.09 1wf6 s PHE 51 Cb -0.10 -0.22 0.07 0.00 -0.57 0.00 0.00 43.02 42.19 1wf6 s PHE 51 CO 0.30 -0.07 0.72 -1.54 -0.10 0.00 0.00 175.22 174.53 1wf6 s SER 52 N 0.75 -0.75 0.61 1.36 1.04 -1.26 -4.65 113.70 110.80 1wf6 s SER 52 Ca -0.07 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1wf6 s SER 52 Cb -0.10 1.47 0.00 0.00 0.10 0.00 0.00 66.02 67.49 1wf6 s SER 52 CO -0.02 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1wf6 n GLY 53 N 2.73 1.66 0.08 7.32 0.00 -1.26 -4.01 105.19 111.71 1wf6 n GLY 53 Ca -0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.05 -0.88 1.61 3.08 -1.97 -2.20 114.38 113.97 1wf6 h ARG 54 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.18 1wf6 h ARG 54 Cb 0.00 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 29.93 1wf6 h ARG 54 CO 0.00 0.59 -0.44 0.87 -1.07 0.00 0.00 179.97 179.92 1wf6 h LYS 55 N -0.89 -0.06 0.89 0.04 1.57 -1.88 0.95 116.57 117.20 1wf6 h LYS 55 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1wf6 h LYS 55 Cb 0.67 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.00 1wf6 h LYS 55 CO 0.01 -0.04 -0.43 1.25 -0.57 0.00 0.00 179.45 179.67 1wf6 h LEU 56 N -0.06 -1.02 -0.98 2.94 5.85 -1.74 -1.58 115.31 118.72 1wf6 h LEU 56 Ca 0.26 0.04 0.28 0.00 0.84 0.00 0.00 57.88 59.30 1wf6 h LEU 56 Cb 0.55 0.26 -0.18 0.00 0.37 0.00 0.00 40.66 41.66 1wf6 h LEU 56 CO -0.89 -0.72 0.06 0.47 -0.34 0.00 0.00 178.44 177.01 1wf6 n ASP 57 N -5.24 -0.08 0.06 1.25 9.92 -0.32 0.13 116.55 122.27 1wf6 n ASP 57 Ca -0.15 1.67 -0.03 0.00 -0.53 0.00 0.00 54.79 55.75 1wf6 n ASP 57 Cb 0.47 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1wf6 h LYS 58 N 0.00 -0.17 -0.89 -1.24 1.79 0.12 -0.03 116.57 116.15 1wf6 h LYS 58 Ca 0.61 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 59.32 1wf6 h LYS 58 Cb 1.30 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.86 1wf6 h LYS 58 CO -0.91 -0.12 0.34 -0.07 -1.08 0.00 0.00 179.45 177.61 1wf6 h LEU 59 N -0.18 0.21 -1.38 2.94 4.07 0.15 1.20 115.31 122.32 1wf6 h LEU 59 Ca -0.01 0.17 0.14 0.00 0.08 0.00 0.00 57.88 58.26 1wf6 h LEU 59 Cb 0.15 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.01 1wf6 h LEU 59 CO 0.01 -0.07 0.55 0.03 -1.08 0.00 0.00 178.44 177.88 1wf6 h ARG 60 N 0.32 0.60 0.12 1.13 3.08 0.14 0.24 114.38 120.01 1wf6 h ARG 60 Ca 0.56 -0.04 -0.28 0.00 0.07 0.00 0.00 59.98 60.29 1wf6 h ARG 60 Cb 1.10 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1wf6 h ARG 60 CO -0.57 0.39 -1.31 0.00 -1.07 0.00 0.00 179.97 177.41 1wf6 h ARG 61 N 0.61 0.25 0.12 0.04 3.08 0.32 -3.16 114.38 115.65 1wf6 h ARG 61 Ca 0.42 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1wf6 h ARG 61 Cb 0.73 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1wf6 h ARG 61 CO -0.17 1.18 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.77 1wf6 h LEU 62 N 0.07 -0.14 -0.94 3.04 4.07 0.15 0.83 115.31 122.39 1wf6 h LEU 62 Ca -0.16 0.00 0.13 0.00 0.08 0.00 0.00 57.88 57.94 1wf6 h LEU 62 Cb 1.98 0.04 -0.14 0.00 1.08 0.00 0.00 40.66 43.61 1wf6 h LEU 62 CO 0.19 -0.09 -0.40 -0.38 -1.08 0.00 0.00 178.44 176.68 1wf6 n ILE 63 N -2.50 -0.52 -0.19 1.22 5.41 0.64 0.18 119.36 123.60 1wf6 n ILE 63 Ca -0.02 2.21 -0.06 0.00 1.00 0.00 0.00 62.75 65.89 1wf6 n ILE 63 Cb 0.06 -2.89 0.04 0.00 -0.71 0.00 0.00 39.64 36.15 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 0.58 0.03 4.38 -1.24 -1.54 0.90 115.58 118.70 1wf6 h ASN 64 Ca 0.29 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 1wf6 h ASN 64 Cb 0.53 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1wf6 h ASN 64 CO -0.92 0.41 -0.00 -1.28 -1.29 0.00 0.00 177.43 174.35 1wf6 h SER 65 N 0.70 0.00 0.00 1.15 0.87 0.91 0.84 113.55 118.03 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 -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1wf6 h SER 65 CO -0.08 0.00 -1.23 0.61 -0.53 0.00 0.00 176.83 175.60 1wf6 n GLY 66 N -1.12 -0.87 0.71 5.77 0.00 0.26 -3.91 105.19 106.02 1wf6 n GLY 66 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1wf6 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf6 n GLY 67 N 1.43 1.24 3.51 -0.02 0.00 0.27 0.16 105.19 111.78 1wf6 n GLY 67 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.23 3.44 -0.02 0.00 0.11 -4.56 105.19 100.93 1wf6 n GLY 68 Ca 0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.01 5.17 -0.66 1.61 1.01 0.12 -4.09 120.40 121.55 1wf6 s VAL 69 Ca 0.66 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 1wf6 s VAL 69 Cb -0.32 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1wf6 s VAL 69 CO 0.57 -0.34 1.50 -0.60 0.00 0.00 0.00 175.10 176.24 1wf6 s ARG 70 N 1.66 3.03 -0.12 2.72 3.52 -1.26 -1.99 118.95 126.50 1wf6 s ARG 70 Ca 0.05 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.54 1wf6 s ARG 70 Cb -0.20 -4.24 -0.01 0.00 -1.56 0.00 0.00 34.95 28.94 1wf6 s ARG 70 CO 0.09 -2.30 1.10 -0.06 -0.81 0.00 0.00 175.30 173.33 1wf6 s PHE 71 N 6.92 3.30 -0.65 5.12 0.40 -0.20 -4.89 117.98 127.97 1wf6 s PHE 71 Ca 0.49 1.38 0.25 0.00 -0.60 0.00 0.00 56.93 58.46 1wf6 s PHE 71 Cb -0.10 -3.31 0.88 0.00 0.51 0.00 0.00 43.02 41.00 1wf6 s PHE 71 CO 0.19 -0.79 1.76 0.27 0.70 0.00 0.00 175.22 177.35 1wf6 n ASN 72 N 5.53 0.74 -4.23 1.36 6.94 -1.26 -4.15 115.26 120.19 1wf6 n ASN 72 Ca 0.11 0.61 -0.20 0.00 -0.02 0.00 0.00 54.58 55.08 1wf6 n ASN 72 Cb 0.47 -0.79 -0.10 0.00 -2.36 0.00 0.00 39.78 37.00 1wf6 n ASN 72 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1wf6 s GLN 73 N -3.18 1.59 0.40 -3.83 -0.21 -1.26 -5.04 119.66 108.14 1wf6 s GLN 73 Ca 0.08 -1.90 0.08 0.00 0.02 0.00 0.00 55.36 53.64 1wf6 s GLN 73 Cb 0.11 -0.41 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 1wf6 s GLN 73 CO 0.52 -0.34 0.32 -1.17 -2.12 0.00 0.00 175.29 172.51 1wf6 s LEU 74 N -3.41 3.38 0.00 2.90 0.20 -1.26 -4.89 118.68 115.59 1wf6 s LEU 74 Ca 0.35 -0.75 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1wf6 s LEU 74 Cb 0.07 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 1wf6 s LEU 74 CO 0.15 -0.57 0.00 -0.46 -0.29 0.00 0.00 176.35 175.18 1wf6 n ASN 75 N -1.46 0.00 0.00 3.68 0.23 -1.26 -4.93 115.26 111.52 1wf6 n ASN 75 Ca 0.02 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.17 1wf6 n ASN 75 Cb 0.62 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.88 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1wf6 n GLU 76 N -0.29 0.45 0.03 -3.83 1.02 -1.26 -2.66 120.64 114.11 1wf6 n GLU 76 Ca 0.00 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.98 1wf6 n GLU 76 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 1wf6 n GLU 76 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wf6 h ASP 77 N 0.00 0.44 -1.51 1.62 5.19 -1.98 -3.46 116.42 116.73 1wf6 h ASP 77 Ca 0.00 -0.90 -0.70 0.00 -0.62 0.00 0.00 57.03 54.81 1wf6 h ASP 77 Cb 0.11 -0.14 0.06 0.00 0.18 0.00 0.00 39.33 39.53 1wf6 h ASP 77 CO 0.00 1.54 0.26 0.52 -3.12 0.00 0.00 179.24 178.44 1wf6 n VAL 78 N -3.99 0.26 0.28 -1.35 0.31 -1.09 -4.78 118.33 107.97 1wf6 n VAL 78 Ca -0.20 -0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1wf6 n VAL 78 Cb 0.88 -0.55 -0.11 0.00 -0.91 0.00 0.00 33.84 33.15 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 1.92 0.00 -3.61 2.52 -2.24 0.31 -4.64 114.28 108.54 1wf6 n THR 79 Ca 0.18 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1wf6 n THR 79 Cb 0.17 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.86 -0.71 -0.26 4.78 3.76 -1.12 -1.85 115.29 117.03 1wf6 s HIS 80 Ca -0.01 1.64 0.02 0.00 -0.15 0.00 0.00 55.06 56.55 1wf6 s HIS 80 Cb 0.11 0.32 0.07 0.00 1.11 0.00 0.00 32.58 34.18 1wf6 s HIS 80 CO 0.65 -0.41 -0.04 0.08 -0.85 0.00 0.00 174.74 174.18 1wf6 s VAL 81 N -0.01 1.74 -0.62 -0.90 1.01 0.35 0.15 120.40 122.12 1wf6 s VAL 81 Ca -0.02 -1.52 -0.27 0.00 0.00 0.00 0.00 61.98 60.17 1wf6 s VAL 81 Cb -0.04 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1wf6 s VAL 81 CO 0.02 -0.22 1.49 -0.63 0.00 0.00 0.00 175.10 175.76 1wf6 s ILE 82 N 1.26 3.66 -0.35 2.22 -1.09 0.58 -1.28 121.20 126.21 1wf6 s ILE 82 Ca -0.02 0.48 -0.17 0.00 -2.23 0.00 0.00 60.65 58.71 1wf6 s ILE 82 Cb -0.19 -4.45 -0.01 0.00 -1.58 0.00 0.00 42.46 36.23 1wf6 s ILE 82 CO -0.08 -1.30 0.44 -0.69 -1.23 0.00 0.00 174.94 172.08 1wf6 s VAL 83 N 6.68 5.09 0.00 2.92 1.01 0.51 -1.70 120.40 134.91 1wf6 s VAL 83 Ca 0.51 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1wf6 s VAL 83 Cb -0.11 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1wf6 s VAL 83 CO 0.21 -0.16 0.22 0.61 0.00 0.00 0.00 175.10 175.98 1wf6 n GLY 84 N 4.87 -0.78 0.08 4.51 0.00 -0.87 -4.11 105.19 108.89 1wf6 n GLY 84 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1wf6 n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf6 n ASP 85 N -1.77 2.05 -3.61 1.61 8.00 -1.26 -4.92 116.55 116.66 1wf6 n ASP 85 Ca 0.00 -0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.44 1wf6 n ASP 85 Cb 0.00 0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.35 -0.07 -0.13 1.24 1.13 -1.26 -5.06 117.35 110.85 1wf6 s TYR 86 Ca -0.15 0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.51 1wf6 s TYR 86 Cb 0.05 0.52 0.03 0.00 -1.10 0.00 0.00 41.96 41.47 1wf6 s TYR 86 CO 0.50 -0.19 -0.04 0.16 -2.51 0.00 0.00 175.55 173.46 1wf6 s ASP 87 N -2.51 2.36 -0.18 -0.18 -4.77 -1.26 -3.89 116.67 106.24 1wf6 s ASP 87 Ca 0.12 -0.43 -0.14 0.00 -3.30 0.00 0.00 52.55 48.79 1wf6 s ASP 87 Cb 0.02 -0.76 -0.08 0.00 -1.09 0.00 0.00 42.92 41.00 1wf6 s ASP 87 CO -0.04 -0.17 -0.13 0.47 0.70 0.00 0.00 175.17 176.00 1wf6 n ASP 88 N 4.97 1.86 -0.31 2.11 9.92 -1.26 -4.01 116.55 129.82 1wf6 n ASP 88 Ca -0.11 0.51 0.03 0.00 -0.53 0.00 0.00 54.79 54.69 1wf6 n ASP 88 Cb 0.49 -0.87 0.11 0.00 -0.64 0.00 0.00 41.12 40.21 1wf6 n ASP 88 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1wf6 h GLU 89 N -1.00 -0.00 -0.20 -1.24 4.81 -2.00 0.13 114.58 115.08 1wf6 h GLU 89 Ca -0.15 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1wf6 h GLU 89 Cb 0.89 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 1wf6 h GLU 89 CO -0.09 -0.00 -0.53 1.25 -0.73 0.00 0.00 179.01 178.91 1wf6 h LEU 90 N -0.00 -1.70 -0.93 1.64 6.46 -1.98 0.45 115.31 119.24 1wf6 h LEU 90 Ca 0.42 0.21 0.36 0.00 -0.12 0.00 0.00 57.88 58.75 1wf6 h LEU 90 Cb 0.64 0.67 -0.17 0.00 -0.73 0.00 0.00 40.66 41.07 1wf6 h LEU 90 CO -0.91 -0.44 0.40 0.29 -0.62 0.00 0.00 178.44 177.16 1wf6 n LYS 91 N -5.29 -0.06 -0.04 1.25 5.02 0.43 0.18 118.16 119.66 1wf6 n LYS 91 Ca -0.05 1.31 -0.14 0.00 -2.02 0.00 0.00 58.31 57.41 1wf6 n LYS 91 Cb 0.35 -2.30 -0.09 0.00 -0.02 0.00 0.00 35.03 32.97 1wf6 n LYS 91 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wf6 h GLN 92 N 0.00 0.27 0.00 1.97 1.08 0.01 -3.04 115.11 115.40 1wf6 h GLN 92 Ca 0.75 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.75 1wf6 h GLN 92 Cb 1.90 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1wf6 h GLN 92 CO -0.75 0.82 -0.01 0.35 -0.95 0.00 0.00 178.83 178.29 1wf6 h PHE 93 N -0.23 0.00 0.00 2.96 3.57 0.61 0.54 116.94 124.39 1wf6 h PHE 93 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wf6 h PHE 93 Cb 0.84 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1wf6 h PHE 93 CO 0.12 0.01 0.00 0.91 -2.23 0.00 0.00 178.31 177.12 1wf6 n TRP 94 N -3.57 0.55 -0.18 0.41 8.01 0.24 -1.93 117.44 120.97 1wf6 n TRP 94 Ca -0.03 0.19 0.03 0.00 -1.31 0.00 0.00 57.50 56.38 1wf6 n TRP 94 Cb 0.09 -0.81 0.07 0.00 -2.01 0.00 0.00 31.31 28.64 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 -1.98 2.37 0.00 -0.99 5.15 0.18 -4.80 115.26 115.20 1wf6 n ASN 95 Ca 0.04 -2.14 0.00 0.00 -0.60 0.00 0.00 54.58 51.88 1wf6 n ASN 95 Cb 0.28 -0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 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 -0.30 0.00 -4.09 1.20 5.02 -0.67 -5.07 118.16 114.24 1wf6 n LYS 96 Ca 0.06 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 1wf6 n LYS 96 Cb 0.36 -0.07 -0.05 0.00 -0.02 0.00 0.00 35.03 35.25 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 -1.20 5.58 -0.71 4.39 0.01 -1.03 -5.06 113.70 115.67 1wf6 s SER 97 Ca 0.00 -0.18 -0.21 0.00 1.31 0.00 0.00 55.95 56.87 1wf6 s SER 97 Cb 0.00 -1.45 0.10 0.00 0.21 0.00 0.00 66.02 64.88 1wf6 s SER 97 CO 0.00 -0.00 0.94 0.00 0.41 0.00 0.00 173.24 174.59 1wf6 s ALA 98 N -1.98 3.26 -0.03 1.44 0.00 -1.26 -4.62 121.76 118.56 1wf6 s ALA 98 Ca 0.32 -2.19 -0.29 0.00 0.00 0.00 0.00 51.96 49.80 1wf6 s ALA 98 Cb -0.09 -3.82 0.09 0.00 0.00 0.00 0.00 23.12 19.29 1wf6 s ALA 98 CO 0.25 -2.72 0.76 -1.58 0.00 0.00 0.00 175.76 172.46 1wf6 s HIS 99 N 3.33 -0.54 -0.46 0.00 5.04 -1.26 -5.01 115.29 116.39 1wf6 s HIS 99 Ca 0.22 0.79 0.03 0.00 -1.54 0.00 0.00 55.06 54.56 1wf6 s HIS 99 Cb -0.15 0.46 0.13 0.00 0.04 0.00 0.00 32.58 33.05 1wf6 s HIS 99 CO 0.04 -0.59 0.23 1.03 -2.34 0.00 0.00 174.74 173.12 1wf6 s ARG 100 N -1.81 1.58 0.27 2.88 1.81 -1.26 -4.92 118.95 117.49 1wf6 s ARG 100 Ca -0.05 -2.23 -0.30 0.00 -1.72 0.00 0.00 55.73 51.43 1wf6 s ARG 100 Cb -0.00 -2.79 -0.09 0.00 -0.45 0.00 0.00 34.95 31.61 1wf6 s ARG 100 CO 0.02 -1.12 1.08 -1.25 -0.68 0.00 0.00 175.30 173.35 1wf6 s PRO 101 N 0.14 4.66 -0.54 3.54 0.04 -1.26 -4.92 135.00 136.66 1wf6 s PRO 101 Ca 0.17 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 1wf6 s PRO 101 Cb -0.25 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 1wf6 s PRO 101 CO -0.01 0.24 2.28 -1.01 0.04 0.00 0.00 177.00 178.53 1wf6 s HIS 102 N -1.10 1.22 -0.23 0.56 3.76 -0.77 -4.65 115.29 114.07 1wf6 s HIS 102 Ca 0.44 1.40 -0.21 0.00 -0.15 0.00 0.00 55.06 56.55 1wf6 s HIS 102 Cb -0.31 -3.70 -0.02 0.00 1.11 0.00 0.00 32.58 29.66 1wf6 s HIS 102 CO 0.40 -2.41 0.66 0.54 -0.85 0.00 0.00 174.74 173.08 1wf6 s VAL 103 N 11.64 4.97 0.31 -0.90 0.11 -1.26 0.13 120.40 135.40 1wf6 s VAL 103 Ca 0.90 1.23 -0.04 0.00 -2.93 0.00 0.00 61.98 61.14 1wf6 s VAL 103 Cb -0.16 -3.97 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 1wf6 s VAL 103 CO 0.23 0.04 0.42 0.68 -3.33 0.00 0.00 175.10 173.14 1wf6 s VAL 104 N 2.34 0.00 0.07 2.04 -7.23 -0.40 -1.45 120.40 115.77 1wf6 s VAL 104 Ca 0.29 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1wf6 s VAL 104 Cb -0.16 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1wf6 s VAL 104 CO 0.09 0.00 0.15 -0.83 -0.31 0.00 0.00 175.10 174.20 1wf6 s GLY 105 N -3.19 2.11 0.43 2.32 0.00 -1.10 0.19 107.32 108.09 1wf6 s GLY 105 Ca 0.31 -0.92 0.29 0.00 0.00 0.00 0.00 44.72 44.40 1wf6 s GLY 105 CO 0.18 -0.90 1.62 0.00 0.00 0.00 0.00 173.10 174.00 1wf6 h ALA 106 N 3.16 2.70 -0.96 3.20 0.00 -1.88 0.85 119.26 126.34 1wf6 h ALA 106 Ca -0.46 0.12 0.27 0.00 0.00 0.00 0.00 54.91 54.85 1wf6 h ALA 106 Cb 1.16 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 1wf6 h ALA 106 CO 0.72 -1.33 0.11 -0.22 0.00 0.00 0.00 179.25 178.52 1wf6 h LYS 107 N 0.09 0.04 0.08 0.00 3.64 -1.93 0.29 116.57 118.78 1wf6 h LYS 107 Ca 0.82 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.20 1wf6 h LYS 107 Cb 2.55 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 34.35 1wf6 h LYS 107 CO -0.44 0.03 -0.07 2.35 -2.27 0.00 0.00 179.45 179.05 1wf6 h TRP 108 N 0.05 -0.21 -0.99 1.91 7.01 0.40 0.95 115.95 125.07 1wf6 h TRP 108 Ca 0.61 0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.79 1wf6 h TRP 108 Cb 1.29 0.08 -0.18 0.00 -2.10 0.00 0.00 29.16 28.25 1wf6 h TRP 108 CO -0.41 -0.10 -0.28 -0.11 -2.79 0.00 0.00 178.44 174.75 1wf6 n LEU 109 N -2.73 -0.43 -0.05 0.65 7.94 0.27 1.00 117.00 123.65 1wf6 n LEU 109 Ca -0.02 1.71 -0.11 0.00 -1.11 0.00 0.00 56.01 56.48 1wf6 n LEU 109 Cb 0.07 -0.48 -0.05 0.00 0.53 0.00 0.00 43.42 43.49 1wf6 n LEU 109 CO 0.04 -1.61 0.60 -0.07 -1.11 0.00 0.00 177.39 175.24 1wf6 h LEU 110 N 0.00 -1.27 -1.37 -1.96 3.38 -0.08 0.43 115.31 114.43 1wf6 h LEU 110 Ca 0.44 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.59 1wf6 h LEU 110 Cb 0.69 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1wf6 h LEU 110 CO -1.01 -0.39 0.35 -0.33 0.09 0.00 0.00 178.44 177.15 1wf6 h GLU 111 N -0.41 0.77 0.71 1.13 4.39 0.29 1.11 114.58 122.57 1wf6 h GLU 111 Ca 0.10 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1wf6 h GLU 111 Cb 0.59 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1wf6 h GLU 111 CO -0.45 0.54 -0.44 0.00 -1.16 0.00 0.00 179.01 177.50 1wf6 h PHE 113 N -1.08 0.41 -0.44 0.00 0.04 0.06 0.36 116.94 116.29 1wf6 h PHE 113 Ca -0.09 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 1wf6 h PHE 113 Cb 0.87 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 1wf6 h PHE 113 CO -0.11 0.62 0.04 1.03 -0.60 0.00 0.00 178.31 179.30 1wf6 h SER 114 N 0.32 0.72 1.95 2.17 0.87 0.16 -2.46 113.55 117.28 1wf6 h SER 114 Ca 0.05 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1wf6 h SER 114 Cb 0.68 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1wf6 h SER 114 CO 0.05 0.82 0.00 0.11 -0.53 0.00 0.00 176.83 177.28 1wf6 h LYS 115 N 0.59 0.00 0.00 2.24 1.79 0.16 -3.46 116.57 117.89 1wf6 h LYS 115 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1wf6 h LYS 115 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1wf6 h LYS 115 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 1wf6 n GLY 116 N 1.10 2.13 2.93 3.86 0.00 0.12 -4.99 105.19 110.34 1wf6 n GLY 116 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.35 0.41 0.23 1.61 1.13 -0.58 -4.19 117.35 113.61 1wf6 s TYR 117 Ca 0.00 -0.07 -0.31 0.00 -1.41 0.00 0.00 57.07 55.27 1wf6 s TYR 117 Cb 0.00 -0.30 -0.14 0.00 -1.10 0.00 0.00 41.96 40.42 1wf6 s TYR 117 CO 0.00 -0.03 1.39 -1.33 -2.51 0.00 0.00 175.55 173.06 1wf6 n MET 118 N 3.19 1.94 -3.62 -3.49 2.81 -1.26 -4.49 117.12 112.20 1wf6 n MET 118 Ca -0.15 0.69 -0.23 0.00 -1.81 0.00 0.00 57.70 56.19 1wf6 n MET 118 Cb 0.57 -2.34 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 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 0.18 2.95 0.42 4.03 1.43 -1.26 -5.03 118.68 121.41 1wf6 s LEU 119 Ca 0.69 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 1wf6 s LEU 119 Cb -0.67 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 1wf6 s LEU 119 CO 0.49 -1.06 1.45 -0.44 0.23 0.00 0.00 176.35 177.03 1wf6 s SER 120 N -4.34 6.05 0.02 2.29 0.01 -1.26 -4.91 113.70 111.56 1wf6 s SER 120 Ca 0.44 2.98 0.22 0.00 1.31 0.00 0.00 55.95 60.90 1wf6 s SER 120 Cb -0.03 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1wf6 s SER 120 CO 0.27 -1.07 1.00 -0.62 0.41 0.00 0.00 173.24 173.23 1wf6 n GLU 121 N 0.05 0.17 -0.11 12.44 1.02 -1.26 -4.19 120.64 128.77 1wf6 n GLU 121 Ca 0.03 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1wf6 n GLU 121 Cb 0.41 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.60 0.00 3.49 5.08 -1.93 -1.92 114.58 119.89 1wf6 h GLU 122 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1wf6 h GLU 122 Cb 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1wf6 h GLU 122 CO 0.00 0.78 0.00 -0.35 -1.00 0.00 0.00 179.01 178.44 1wf6 n PRO 123 N -4.47 0.75 -2.39 2.33 -0.04 -1.26 -2.81 135.00 127.11 1wf6 n PRO 123 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1wf6 n PRO 123 Cb 0.32 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.89 1.12 -2.66 0.54 4.01 -0.89 -5.09 117.16 113.30 1wf6 n TYR 124 Ca 0.14 -1.78 -0.41 0.00 -0.16 0.00 0.00 57.90 55.69 1wf6 n TYR 124 Cb 0.06 -0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 38.82 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 -3.08 4.22 -0.45 -0.72 -1.09 -0.78 -2.70 121.20 116.60 1wf6 s ILE 125 Ca 0.32 1.92 -0.16 0.00 -2.23 0.00 0.00 60.65 60.50 1wf6 s ILE 125 Cb 0.35 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1wf6 s ILE 125 CO -0.06 0.33 0.40 -2.28 -1.23 0.00 0.00 174.94 172.10 1wf6 s HIS 126 N -0.28 3.21 0.00 3.97 2.46 -0.53 -4.83 115.29 119.30 1wf6 s HIS 126 Ca 0.47 -0.74 0.00 0.00 0.47 0.00 0.00 55.06 55.26 1wf6 s HIS 126 Cb -0.26 -3.03 0.00 0.00 -0.13 0.00 0.00 32.58 29.17 1wf6 s HIS 126 CO 0.32 -0.76 0.00 -1.13 -2.47 0.00 0.00 174.74 170.70 1wf6 n SER 127 N 5.34 0.00 0.00 9.88 3.41 -1.26 -4.78 113.62 126.21 1wf6 n SER 127 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1wf6 n SER 127 Cb 0.45 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1wf6 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf6 n GLY 128 N 3.04 2.02 3.81 5.00 0.00 -1.26 -5.03 105.19 112.76 1wf6 n GLY 128 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 3.28 2.26 -0.07 1.61 0.04 -1.26 -5.08 135.00 135.78 1wf6 s PRO 129 Ca 0.00 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 1wf6 s PRO 129 Cb 0.00 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.72 1wf6 s PRO 129 CO 0.00 -1.51 0.95 0.45 0.04 0.00 0.00 177.00 176.93 1wf6 s SER 130 N -3.88 -0.34 0.00 6.66 0.15 -1.26 -5.19 113.70 109.84 1wf6 s SER 130 Ca 0.60 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1wf6 s SER 130 Cb -0.14 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wf6 s SER 130 CO 0.54 -0.51 0.00 -1.20 1.20 0.00 0.00 173.24 173.28 1wf6 n SER 131 N 0.03 0.00 -0.04 5.45 7.64 -1.26 -5.30 113.62 120.14 1wf6 n SER 131 Ca -0.08 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.96 1wf6 n SER 131 Cb 0.60 0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.72 1wf6 n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64