#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 -1.52 -4.84 1.61 7.64 -1.26 -5.13 113.62 110.12 1wf6 n SER 2 Ca 0.00 0.47 -0.31 0.00 1.01 0.00 0.00 58.87 60.04 1wf6 n SER 2 Cb 0.00 1.57 0.02 0.00 -1.01 0.00 0.00 64.21 64.79 1wf6 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf6 s SER 3 N -3.11 5.97 -0.90 6.43 1.04 -1.26 -4.99 113.70 116.88 1wf6 s SER 3 Ca 0.00 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1wf6 s SER 3 Cb 0.00 -2.49 0.31 0.00 0.10 0.00 0.00 66.02 63.94 1wf6 s SER 3 CO 0.00 -1.04 1.39 0.61 0.98 0.00 0.00 173.24 175.18 1wf6 n GLY 4 N -2.15 5.56 3.05 7.32 0.00 -1.26 -4.90 105.19 112.81 1wf6 n GLY 4 Ca 0.07 -2.68 -0.02 0.00 0.00 0.00 0.00 46.02 43.39 1wf6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf6 s SER 5 N -2.08 -0.71 1.05 1.61 0.01 -1.26 -5.15 113.70 107.17 1wf6 s SER 5 Ca 0.39 0.51 -0.17 0.00 1.31 0.00 0.00 55.95 57.99 1wf6 s SER 5 Cb 0.16 1.71 0.06 0.00 0.21 0.00 0.00 66.02 68.16 1wf6 s SER 5 CO -0.04 -0.28 0.05 -1.54 0.41 0.00 0.00 173.24 171.84 1wf6 n SER 6 N 5.40 -2.43 -3.65 2.44 3.41 -1.26 -5.00 113.62 112.53 1wf6 n SER 6 Ca -0.01 0.06 -0.28 0.00 -0.26 0.00 0.00 58.87 58.37 1wf6 n SER 6 Cb 0.51 -1.02 -0.16 0.00 -0.26 0.00 0.00 64.21 63.28 1wf6 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf6 s GLY 7 N -1.84 0.65 -0.02 5.00 0.00 -1.26 -5.12 107.32 104.73 1wf6 s GLY 7 Ca 0.55 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 44.33 1wf6 s GLY 7 CO 0.67 1.73 -0.14 -0.45 0.00 0.00 0.00 173.10 174.92 1wf6 s SER 8 N 1.93 1.69 -0.28 1.64 0.15 -1.26 -5.11 113.70 112.46 1wf6 s SER 8 Ca 0.05 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1wf6 s SER 8 Cb -0.17 -0.34 0.17 0.00 -1.71 0.00 0.00 66.02 63.97 1wf6 s SER 8 CO -0.22 0.14 0.52 -1.61 1.20 0.00 0.00 173.24 173.27 1wf6 s GLU 9 N -0.08 0.49 -0.35 5.44 0.41 -1.26 -5.10 118.70 118.26 1wf6 s GLU 9 Ca 0.00 0.64 0.06 0.00 -0.41 0.00 0.00 54.97 55.27 1wf6 s GLU 9 Cb -0.08 0.11 0.18 0.00 -1.78 0.00 0.00 34.13 32.56 1wf6 s GLU 9 CO 0.01 -0.80 0.55 0.45 -0.49 0.00 0.00 175.26 174.97 1wf6 s SER 10 N 2.73 -0.90 -0.30 -0.19 0.15 -1.26 -5.11 113.70 108.82 1wf6 s SER 10 Ca 0.15 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 1wf6 s SER 10 Cb -0.13 1.67 0.18 0.00 -1.71 0.00 0.00 66.02 66.02 1wf6 s SER 10 CO -0.23 -0.26 1.00 -0.51 1.20 0.00 0.00 173.24 174.45 1wf6 s ILE 11 N 2.24 -0.40 -0.09 6.45 1.10 -1.26 -5.10 121.20 124.14 1wf6 s ILE 11 Ca 0.13 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 60.02 1wf6 s ILE 11 Cb -0.09 -0.99 -0.03 0.00 0.15 0.00 0.00 42.46 41.51 1wf6 s ILE 11 CO -0.17 0.00 0.79 0.00 -2.11 0.00 0.00 174.94 173.45 1wf6 s ASN 13 N 0.96 3.45 -0.29 0.00 2.20 -1.26 -5.11 114.94 114.88 1wf6 s ASN 13 Ca 0.40 -0.38 -0.22 0.00 -0.94 0.00 0.00 52.86 51.72 1wf6 s ASN 13 Cb -0.18 -0.71 0.18 0.00 -2.00 0.00 0.00 41.25 38.54 1wf6 s ASN 13 CO 0.18 0.30 1.29 -0.44 -2.94 0.00 0.00 177.10 175.49 1wf6 s SER 14 N -0.49 -0.16 -0.17 3.54 0.01 -1.26 -5.06 113.70 110.11 1wf6 s SER 14 Ca 0.06 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 1wf6 s SER 14 Cb -0.11 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.69 1wf6 s SER 14 CO 0.01 -0.05 0.21 -0.11 0.41 0.00 0.00 173.24 173.71 1wf6 n LEU 15 N 2.25 -3.93 -3.73 2.44 0.00 -1.26 -4.98 117.00 107.80 1wf6 n LEU 15 Ca -0.13 0.36 -0.25 0.00 0.00 0.00 0.00 56.01 56.00 1wf6 n LEU 15 Cb 0.57 -1.84 -0.17 0.00 0.00 0.00 0.00 43.42 41.97 1wf6 n LEU 15 CO 0.03 -1.26 -0.37 0.54 0.00 0.00 0.00 177.39 176.33 1wf6 s ASN 16 N -1.26 2.05 0.83 1.96 4.22 -1.26 -5.14 114.94 116.35 1wf6 s ASN 16 Ca 0.12 -0.37 -0.12 0.00 -2.14 0.00 0.00 52.86 50.35 1wf6 s ASN 16 Cb -0.01 -0.43 0.10 0.00 1.28 0.00 0.00 41.25 42.18 1wf6 s ASN 16 CO 0.35 -0.26 1.15 -0.44 -2.04 0.00 0.00 177.10 175.86 1wf6 s SER 17 N 1.98 3.63 -0.02 3.54 0.01 -1.26 -5.02 113.70 116.56 1wf6 s SER 17 Ca 0.03 2.16 0.01 0.00 1.31 0.00 0.00 55.95 59.46 1wf6 s SER 17 Cb -0.14 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1wf6 s SER 17 CO -0.06 -2.63 -0.02 -0.54 0.41 0.00 0.00 173.24 170.40 1wf6 s LYS 18 N -4.48 2.76 0.05 12.44 1.02 -1.26 -4.57 119.74 125.70 1wf6 s LYS 18 Ca 0.68 -0.60 -0.11 0.00 0.02 0.00 0.00 55.97 55.96 1wf6 s LYS 18 Cb -0.23 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1wf6 s LYS 18 CO 0.54 0.63 0.24 -0.51 -0.92 0.00 0.00 175.35 175.33 1wf6 s LEU 19 N -1.38 1.17 0.46 3.17 1.43 -1.25 -5.01 118.68 117.27 1wf6 s LEU 19 Ca 0.18 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1wf6 s LEU 19 Cb -0.11 1.14 -0.15 0.00 0.03 0.00 0.00 46.19 47.09 1wf6 s LEU 19 CO 0.08 -0.61 -0.05 -0.62 0.23 0.00 0.00 176.35 175.37 1wf6 n GLU 20 N 0.50 0.00 -2.33 1.70 4.71 -1.26 -4.51 120.64 119.45 1wf6 n GLU 20 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.62 1wf6 n GLU 20 Cb 0.60 -0.98 -0.03 0.00 -1.01 0.00 0.00 31.44 30.01 1wf6 n GLU 20 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wf6 s PRO 21 N -0.98 3.23 0.19 3.49 0.04 -1.26 -4.72 135.00 134.98 1wf6 s PRO 21 Ca 0.57 -1.46 0.07 0.00 0.04 0.00 0.00 61.00 60.22 1wf6 s PRO 21 Cb -0.54 -5.37 -0.04 0.00 0.04 0.00 0.00 34.50 28.59 1wf6 s PRO 21 CO 0.64 -3.07 -0.14 0.95 0.04 0.00 0.00 177.00 175.42 1wf6 s THR 22 N 7.57 1.65 0.06 1.26 -4.23 -1.24 -4.61 115.64 116.11 1wf6 s THR 22 Ca 0.61 -2.11 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 1wf6 s THR 22 Cb 0.01 -1.95 -0.09 0.00 1.34 0.00 0.00 72.50 71.81 1wf6 s THR 22 CO 0.08 -0.56 1.34 0.25 -0.54 0.00 0.00 174.62 175.19 1wf6 h LEU 23 N 2.76 -0.97 -0.70 4.79 7.12 -1.90 -1.81 115.31 124.60 1wf6 h LEU 23 Ca -0.39 0.10 0.13 0.00 0.13 0.00 0.00 57.88 57.86 1wf6 h LEU 23 Cb 1.21 0.36 -0.13 0.00 -0.53 0.00 0.00 40.66 41.57 1wf6 h LEU 23 CO 0.60 -0.35 -0.24 -0.08 -0.13 0.00 0.00 178.44 178.24 1wf6 h GLU 24 N -0.47 -0.05 -2.57 1.25 4.22 -1.97 -0.46 114.58 114.53 1wf6 h GLU 24 Ca -0.01 0.00 -0.76 0.00 0.08 0.00 0.00 59.36 58.67 1wf6 h GLU 24 Cb 0.47 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.56 1wf6 h GLU 24 CO -0.17 -0.03 1.94 0.09 -2.18 0.00 0.00 179.01 178.65 1wf6 n ASN 25 N -5.47 7.62 -0.08 1.04 3.02 -0.81 -4.41 115.26 116.18 1wf6 n ASN 25 Ca 0.08 -3.31 -0.11 0.00 -0.03 0.00 0.00 54.58 51.21 1wf6 n ASN 25 Cb 0.37 -1.31 -0.15 0.00 -0.61 0.00 0.00 39.78 38.08 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 1.31 0.72 0.01 3.41 7.94 -0.18 -3.14 117.00 127.07 1wf6 n LEU 26 Ca 0.55 0.09 -0.18 0.00 -1.11 0.00 0.00 56.01 55.36 1wf6 n LEU 26 Cb 0.26 0.16 -0.10 0.00 0.53 0.00 0.00 43.42 44.26 1wf6 n LEU 26 CO 0.65 0.55 0.22 -0.33 -1.11 0.00 0.00 177.39 177.37 1wf6 h GLU 27 N 0.00 0.53 0.00 1.96 5.08 -1.81 -3.10 114.58 117.24 1wf6 h GLU 27 Ca -0.49 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.34 1wf6 h GLU 27 Cb 2.14 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.53 1wf6 h GLU 27 CO 0.03 1.16 0.00 0.09 -1.00 0.00 0.00 179.01 179.29 1wf6 n ASN 28 N -4.11 0.71 -4.59 1.42 3.02 -1.26 -4.84 115.26 105.61 1wf6 n ASN 28 Ca -0.10 0.58 -0.31 0.00 -0.03 0.00 0.00 54.58 54.72 1wf6 n ASN 28 Cb 0.72 -0.77 0.16 0.00 -0.61 0.00 0.00 39.78 39.28 1wf6 n ASN 28 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wf6 n LEU 29 N -2.18 2.18 -3.94 3.41 7.94 -1.17 -3.75 117.00 119.49 1wf6 n LEU 29 Ca 0.05 0.37 -0.30 0.00 -1.11 0.00 0.00 56.01 55.03 1wf6 n LEU 29 Cb 0.39 -1.39 -0.14 0.00 0.53 0.00 0.00 43.42 42.81 1wf6 n LEU 29 CO 0.28 -2.61 -0.18 -0.62 -1.11 0.00 0.00 177.39 173.16 1wf6 s ASP 30 N -2.46 4.29 0.63 1.96 2.15 -1.26 -4.92 116.67 117.06 1wf6 s ASP 30 Ca 0.64 -3.01 0.30 0.00 0.43 0.00 0.00 52.55 50.91 1wf6 s ASP 30 Cb -0.22 -1.62 1.60 0.00 -0.30 0.00 0.00 42.92 42.38 1wf6 s ASP 30 CO 0.61 -0.23 1.95 1.62 -0.17 0.00 0.00 175.17 178.95 1wf6 h VAL 31 N 5.48 0.18 -0.31 1.11 3.04 -1.92 1.27 116.25 125.10 1wf6 h VAL 31 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 1wf6 h VAL 31 Cb 0.89 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 1wf6 h VAL 31 CO 0.68 0.00 0.02 -0.24 -1.01 0.00 0.00 177.57 177.02 1wf6 n SER 32 N -3.29 3.47 -0.09 3.17 2.88 -1.26 -3.78 113.62 114.73 1wf6 n SER 32 Ca 0.02 -2.50 -0.14 0.00 -1.33 0.00 0.00 58.87 54.91 1wf6 n SER 32 Cb 0.46 -0.60 -0.07 0.00 -0.75 0.00 0.00 64.21 63.24 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wf6 n ALA 33 N 0.29 1.70 -1.62 -1.46 0.00 0.44 -4.99 120.51 114.87 1wf6 n ALA 33 Ca 0.15 -0.73 -0.52 0.00 0.00 0.00 0.00 53.44 52.35 1wf6 n ALA 33 Cb 0.76 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 1wf6 n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wf6 n PHE 34 N -3.27 1.74 1.25 0.00 3.72 -1.24 -4.84 117.46 114.83 1wf6 n PHE 34 Ca -0.32 0.54 0.13 0.00 -0.05 0.00 0.00 57.45 57.75 1wf6 n PHE 34 Cb 0.80 -2.40 0.45 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 3.19 0.62 -0.92 -1.08 1.13 -1.26 -4.94 117.38 114.12 1wf6 n GLN 35 Ca 0.19 -0.31 -0.36 0.00 -1.94 0.00 0.00 57.00 54.58 1wf6 n GLN 35 Cb 0.20 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.13 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wf6 n ALA 36 N -0.92 -5.04 -1.72 -1.58 0.00 -1.23 -4.89 120.51 105.12 1wf6 n ALA 36 Ca 0.12 -1.05 -0.33 0.00 0.00 0.00 0.00 53.44 52.18 1wf6 n ALA 36 Cb 0.32 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.45 3.52 0.00 0.00 0.04 -1.26 -4.91 135.00 129.93 1wf6 s PRO 37 Ca 0.43 1.23 0.14 0.00 0.04 0.00 0.00 61.00 62.84 1wf6 s PRO 37 Cb -0.06 -2.06 0.65 0.00 0.04 0.00 0.00 34.50 33.07 1wf6 s PRO 37 CO 0.72 -0.65 1.40 0.39 0.04 0.00 0.00 177.00 178.89 1wf6 n GLU 38 N -1.68 0.12 -0.16 4.56 1.02 -1.26 -1.22 120.64 122.02 1wf6 n GLU 38 Ca 0.09 0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.52 1wf6 n GLU 38 Cb 0.53 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.61 1wf6 n GLU 38 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wf6 n ASP 39 N -1.37 2.71 -0.24 1.62 8.00 -1.18 -2.38 116.55 123.71 1wf6 n ASP 39 Ca 0.05 -3.02 -0.06 0.00 0.71 0.00 0.00 54.79 52.47 1wf6 n ASP 39 Cb 0.13 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.16 -0.62 -2.77 0.64 7.94 0.36 0.10 117.00 121.49 1wf6 n LEU 40 Ca 0.17 1.45 -0.37 0.00 -1.11 0.00 0.00 56.01 56.14 1wf6 n LEU 40 Cb 0.68 -0.34 0.03 0.00 0.53 0.00 0.00 43.42 44.33 1wf6 n LEU 40 CO 0.04 -1.05 1.54 0.18 -1.11 0.00 0.00 177.39 176.99 1wf6 n LEU 41 N -4.31 7.41 -4.66 -1.96 4.77 0.50 -4.83 117.00 113.92 1wf6 n LEU 41 Ca 0.01 -4.65 -0.47 0.00 -0.03 0.00 0.00 56.01 50.88 1wf6 n LEU 41 Cb 0.15 -1.08 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1wf6 n LEU 41 CO -0.09 1.71 1.20 -0.67 -1.33 0.00 0.00 177.39 178.21 1wf6 n ASP 42 N -0.40 3.02 -4.11 -1.43 -0.08 0.12 -0.65 116.55 113.01 1wf6 n ASP 42 Ca 0.54 1.08 -0.34 0.00 -1.51 0.00 0.00 54.79 54.56 1wf6 n ASP 42 Cb 0.33 -1.40 -0.01 0.00 2.34 0.00 0.00 41.12 42.38 1wf6 n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wf6 n GLY 43 N 3.44 -0.45 3.06 0.27 0.00 -1.26 -4.90 105.19 105.35 1wf6 n GLY 43 Ca 0.18 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 1.03 4.02 0.14 0.00 0.52 -1.26 0.13 118.95 123.52 1wf6 s ARG 45 Ca 0.00 0.64 0.10 0.00 -0.52 0.00 0.00 55.73 55.96 1wf6 s ARG 45 Cb -0.20 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 1wf6 s ARG 45 CO -0.06 -0.62 -0.22 0.42 0.02 0.00 0.00 175.30 174.83 1wf6 s ILE 46 N 2.89 2.54 -0.11 1.52 1.01 0.13 0.26 121.20 129.44 1wf6 s ILE 46 Ca 0.32 -1.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.26 1wf6 s ILE 46 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1wf6 s ILE 46 CO 0.11 0.05 -0.10 -0.47 0.00 0.00 0.00 174.94 174.52 1wf6 s TYR 47 N -1.23 2.86 -0.35 3.97 5.04 0.11 -0.08 117.35 127.67 1wf6 s TYR 47 Ca 0.17 -0.40 -0.16 0.00 -2.44 0.00 0.00 57.07 54.24 1wf6 s TYR 47 Cb -0.10 -1.82 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 1wf6 s TYR 47 CO 0.09 -0.04 0.39 -0.51 -1.34 0.00 0.00 175.55 174.14 1wf6 s LEU 48 N 0.02 4.47 -0.20 6.97 1.43 -1.25 -0.29 118.68 129.84 1wf6 s LEU 48 Ca -0.03 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1wf6 s LEU 48 Cb -0.14 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.74 1wf6 s LEU 48 CO 0.04 -0.38 -0.15 0.00 0.23 0.00 0.00 176.35 176.08 1wf6 n GLY 50 N 4.61 0.73 2.91 0.00 0.00 -1.26 -0.10 105.19 112.07 1wf6 n GLY 50 Ca -0.18 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.13 0.03 0.00 1.61 0.08 -1.26 -4.27 117.98 112.05 1wf6 s PHE 51 Ca 0.00 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1wf6 s PHE 51 Cb 0.00 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.42 1wf6 s PHE 51 CO 0.00 -0.05 0.00 0.45 -0.10 0.00 0.00 175.22 175.52 1wf6 n SER 52 N 2.76 0.00 -3.59 1.36 2.88 -1.26 -4.78 113.62 110.99 1wf6 n SER 52 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1wf6 n SER 52 Cb 0.59 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1wf6 n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 53 N -0.08 -3.03 0.39 0.46 0.00 -1.26 -3.91 105.19 97.76 1wf6 n GLY 53 Ca 0.00 -1.03 0.35 0.00 0.00 0.00 0.00 46.02 45.35 1wf6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf6 n ARG 54 N -0.32 -0.04 -0.27 1.61 1.74 -1.26 0.13 116.66 118.25 1wf6 n ARG 54 Ca 0.00 1.25 0.02 0.00 -0.77 0.00 0.00 57.85 58.35 1wf6 n ARG 54 Cb 0.00 -2.37 0.09 0.00 -1.02 0.00 0.00 32.46 29.16 1wf6 n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wf6 h LYS 55 N 0.00 -0.00 0.00 5.56 1.57 -1.86 1.40 116.57 123.24 1wf6 h LYS 55 Ca 0.83 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.61 1wf6 h LYS 55 Cb 2.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.80 1wf6 h LYS 55 CO -0.56 -0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.20 1wf6 n LEU 56 N -5.51 0.00 -0.35 2.94 7.94 0.35 -2.12 117.00 120.25 1wf6 n LEU 56 Ca 0.11 0.92 0.01 0.00 -1.11 0.00 0.00 56.01 55.94 1wf6 n LEU 56 Cb 0.39 -0.50 0.07 0.00 0.53 0.00 0.00 43.42 43.92 1wf6 n LEU 56 CO -0.02 -0.50 0.57 -0.67 -1.11 0.00 0.00 177.39 175.67 1wf6 n ASP 57 N -1.99 -0.51 -0.23 1.96 2.03 -0.89 0.26 116.55 117.18 1wf6 n ASP 57 Ca 0.00 1.62 -0.10 0.00 0.52 0.00 0.00 54.79 56.83 1wf6 n ASP 57 Cb 0.00 -0.41 -0.08 0.00 -0.72 0.00 0.00 41.12 39.91 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 -0.15 -0.16 -0.67 1.79 0.19 0.18 116.57 117.76 1wf6 h LYS 58 Ca 0.37 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.88 1wf6 h LYS 58 Cb 0.60 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1wf6 h LYS 58 CO -0.94 -0.10 -0.04 -0.07 -1.08 0.00 0.00 179.45 177.22 1wf6 h LEU 59 N -0.16 -0.15 -1.49 2.94 3.38 0.34 0.11 115.31 120.28 1wf6 h LEU 59 Ca 0.10 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.34 1wf6 h LEU 59 Cb 0.40 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1wf6 h LEU 59 CO -0.63 -0.05 0.88 0.03 0.09 0.00 0.00 178.44 178.76 1wf6 h ARG 60 N -0.00 0.00 0.04 1.13 3.08 0.23 1.30 114.38 120.16 1wf6 h ARG 60 Ca 0.08 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.78 1wf6 h ARG 60 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1wf6 h ARG 60 CO -0.16 0.00 -2.05 0.54 -1.07 0.00 0.00 179.97 177.23 1wf6 n ARG 61 N -3.46 0.69 0.11 0.04 1.74 0.40 -3.71 116.66 112.46 1wf6 n ARG 61 Ca 0.17 0.21 -0.05 0.00 -0.77 0.00 0.00 57.85 57.41 1wf6 n ARG 61 Cb 1.14 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 1wf6 n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wf6 h LEU 62 N 0.02 -0.27 -1.46 0.55 4.07 0.36 1.07 115.31 119.66 1wf6 h LEU 62 Ca -0.43 0.01 0.39 0.00 0.08 0.00 0.00 57.88 57.94 1wf6 h LEU 62 Cb 2.04 0.07 -0.11 0.00 1.08 0.00 0.00 40.66 43.74 1wf6 h LEU 62 CO 0.05 -0.07 0.83 0.40 -1.08 0.00 0.00 178.44 178.57 1wf6 h ILE 63 N -0.56 0.24 0.09 1.22 2.04 -0.16 1.02 117.51 121.40 1wf6 h ILE 63 Ca -0.03 -0.05 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1wf6 h ILE 63 Cb 0.24 0.07 0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1wf6 h ILE 63 CO 0.05 0.03 -0.67 0.78 0.00 0.00 0.00 178.15 178.34 1wf6 h ASN 64 N 0.15 0.43 -0.43 1.72 2.35 -1.62 1.53 115.58 119.72 1wf6 h ASN 64 Ca 0.75 -0.90 0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1wf6 h ASN 64 Cb 2.33 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 40.50 1wf6 h ASN 64 CO -0.34 1.30 0.03 0.28 -1.65 0.00 0.00 177.43 177.05 1wf6 h SER 65 N -0.36 -0.12 0.62 5.81 0.02 0.87 0.41 113.55 120.80 1wf6 h SER 65 Ca -0.11 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1wf6 h SER 65 Cb 1.48 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.18 1wf6 h SER 65 CO 0.13 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 1wf6 n GLY 66 N -1.28 -1.12 0.07 -3.77 0.00 0.16 -4.11 105.19 95.13 1wf6 n GLY 66 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.30 3.46 3.35 -0.02 0.00 0.14 0.19 105.19 112.61 1wf6 n GLY 67 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1wf6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf6 n GLY 68 N -1.88 -2.42 3.21 -0.02 0.00 0.52 -4.33 105.19 100.27 1wf6 n GLY 68 Ca 0.00 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1wf6 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wf6 s VAL 69 N -2.33 3.26 -0.22 1.61 1.01 0.12 -3.67 120.40 120.18 1wf6 s VAL 69 Ca 0.54 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1wf6 s VAL 69 Cb -0.20 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1wf6 s VAL 69 CO 0.70 -0.13 1.14 -0.60 0.00 0.00 0.00 175.10 176.21 1wf6 s ARG 70 N 1.30 4.22 -0.32 2.72 3.52 -1.26 -0.69 118.95 128.44 1wf6 s ARG 70 Ca -0.04 1.45 -0.15 0.00 -0.13 0.00 0.00 55.73 56.86 1wf6 s ARG 70 Cb -0.20 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1wf6 s ARG 70 CO 0.00 -0.70 0.37 -0.06 -0.81 0.00 0.00 175.30 174.10 1wf6 s PHE 71 N 3.41 3.22 0.54 5.12 0.40 0.88 -4.93 117.98 126.62 1wf6 s PHE 71 Ca 0.49 0.09 0.24 0.00 -0.60 0.00 0.00 56.93 57.14 1wf6 s PHE 71 Cb -0.17 -2.65 1.55 0.00 0.51 0.00 0.00 43.02 42.25 1wf6 s PHE 71 CO 0.11 -0.38 2.19 -0.91 0.70 0.00 0.00 175.22 176.92 1wf6 h ASN 72 N 8.40 0.00 -3.96 1.36 2.35 -1.93 -3.32 115.58 118.48 1wf6 h ASN 72 Ca -0.30 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.91 1wf6 h ASN 72 Cb 1.15 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.21 1wf6 h ASN 72 CO 0.68 0.02 -0.83 -1.10 -1.65 0.00 0.00 177.43 174.56 1wf6 s GLN 73 N -4.76 1.56 0.36 0.81 -0.21 -1.26 -4.90 119.66 111.26 1wf6 s GLN 73 Ca -0.05 -0.55 -0.26 0.00 0.02 0.00 0.00 55.36 54.52 1wf6 s GLN 73 Cb 0.16 -1.39 -0.09 0.00 1.00 0.00 0.00 33.01 32.69 1wf6 s GLN 73 CO 0.60 0.24 1.07 -1.17 -2.12 0.00 0.00 175.29 173.92 1wf6 s LEU 74 N -0.01 4.26 0.00 2.90 0.20 -1.26 -4.90 118.68 119.87 1wf6 s LEU 74 Ca -0.02 2.13 0.00 0.00 0.69 0.00 0.00 54.13 56.93 1wf6 s LEU 74 Cb -0.10 -4.01 0.00 0.00 -0.43 0.00 0.00 46.19 41.65 1wf6 s LEU 74 CO 0.01 -0.41 0.00 -0.46 -0.29 0.00 0.00 176.35 175.20 1wf6 n ASN 75 N 0.30 0.00 -3.85 3.68 6.94 -1.26 -4.93 115.26 116.14 1wf6 n ASN 75 Ca 0.03 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.21 1wf6 n ASN 75 Cb 0.48 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.81 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wf6 n GLU 76 N -0.09 0.83 0.00 -3.83 1.02 -1.26 -2.50 120.64 114.81 1wf6 n GLU 76 Ca 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 1wf6 n GLU 76 Cb 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.38 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 10.68 0.00 -4.57 1.62 8.00 -1.26 -5.07 116.55 125.94 1wf6 n ASP 77 Ca 0.47 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.57 1wf6 n ASP 77 Cb 0.43 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 1wf6 n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wf6 s VAL 78 N -1.90 3.25 -0.62 2.53 0.11 -1.04 -4.40 120.40 118.34 1wf6 s VAL 78 Ca 0.00 0.21 0.25 0.00 -2.93 0.00 0.00 61.98 59.51 1wf6 s VAL 78 Cb 0.00 -3.47 0.26 0.00 -1.53 0.00 0.00 36.38 31.64 1wf6 s VAL 78 CO 0.00 -0.39 1.74 0.35 -3.33 0.00 0.00 175.10 173.47 1wf6 n THR 79 N 7.56 0.71 -3.81 5.04 -2.24 0.74 -4.72 114.28 117.55 1wf6 n THR 79 Ca 0.27 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1wf6 n THR 79 Cb 0.50 -0.89 -0.12 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.21 -0.20 -0.16 4.78 3.76 -0.90 -3.51 115.29 115.85 1wf6 s HIS 80 Ca 0.07 0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 1wf6 s HIS 80 Cb 0.11 0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.85 1wf6 s HIS 80 CO 0.48 -0.12 -0.09 0.08 -0.85 0.00 0.00 174.74 174.25 1wf6 s VAL 81 N 0.02 3.31 -0.43 -0.90 1.01 0.51 -0.71 120.40 123.21 1wf6 s VAL 81 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1wf6 s VAL 81 Cb -0.02 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1wf6 s VAL 81 CO 0.00 0.49 0.27 -0.63 0.00 0.00 0.00 175.10 175.23 1wf6 s ILE 82 N 0.65 4.05 -0.27 2.22 -1.09 0.60 0.40 121.20 127.77 1wf6 s ILE 82 Ca -0.05 -1.60 -0.17 0.00 -2.23 0.00 0.00 60.65 56.60 1wf6 s ILE 82 Cb -0.15 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1wf6 s ILE 82 CO 0.02 -0.59 0.48 -0.69 -1.23 0.00 0.00 174.94 172.93 1wf6 s VAL 83 N 1.36 5.09 -0.15 2.92 1.01 0.52 -1.21 120.40 129.95 1wf6 s VAL 83 Ca 0.04 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.84 1wf6 s VAL 83 Cb -0.24 -3.80 -0.23 0.00 0.00 0.00 0.00 36.38 32.11 1wf6 s VAL 83 CO 0.00 0.08 0.25 0.61 0.00 0.00 0.00 175.10 176.04 1wf6 n GLY 84 N 4.51 -0.77 1.31 4.51 0.00 0.85 -4.11 105.19 111.49 1wf6 n GLY 84 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.11 0.48 -3.99 1.61 8.00 -1.25 -5.01 116.55 113.28 1wf6 n ASP 85 Ca -0.31 0.16 -0.11 0.00 0.71 0.00 0.00 54.79 55.24 1wf6 n ASP 85 Cb 1.07 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 42.02 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wf6 s TYR 86 N -2.00 0.75 -0.43 1.24 1.51 -1.26 -5.07 117.35 112.09 1wf6 s TYR 86 Ca 0.00 -1.04 0.05 0.00 -1.01 0.00 0.00 57.07 55.08 1wf6 s TYR 86 Cb 0.00 -0.13 0.42 0.00 -0.11 0.00 0.00 41.96 42.15 1wf6 s TYR 86 CO 0.00 -0.88 1.11 -0.40 -1.11 0.00 0.00 175.55 174.28 1wf6 n ASP 87 N -0.46 4.67 0.24 2.29 5.68 -1.26 -4.51 116.55 123.19 1wf6 n ASP 87 Ca 0.00 -3.70 -0.11 0.00 -0.50 0.00 0.00 54.79 50.48 1wf6 n ASP 87 Cb 0.63 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 1wf6 n ASP 87 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1wf6 h ASP 88 N 2.56 -0.71 -0.92 -1.12 5.19 -1.97 -2.83 116.42 116.62 1wf6 h ASP 88 Ca 0.30 0.04 0.17 0.00 -0.62 0.00 0.00 57.03 56.92 1wf6 h ASP 88 Cb 0.96 0.21 -0.17 0.00 0.18 0.00 0.00 39.33 40.51 1wf6 h ASP 88 CO 0.84 -0.42 -0.28 -0.33 -3.12 0.00 0.00 179.24 175.93 1wf6 h GLU 89 N -0.67 -0.01 -0.95 3.56 3.07 -2.00 0.75 114.58 118.33 1wf6 h GLU 89 Ca -0.06 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.04 1wf6 h GLU 89 Cb 0.54 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.27 1wf6 h GLU 89 CO 0.05 -0.01 -0.07 -0.11 -1.40 0.00 0.00 179.01 177.47 1wf6 n LEU 90 N -5.55 -0.19 0.08 1.33 -0.00 -1.08 0.15 117.00 111.74 1wf6 n LEU 90 Ca 0.13 1.62 -0.12 0.00 -0.00 0.00 0.00 56.01 57.64 1wf6 n LEU 90 Cb 0.44 -0.55 -0.05 0.00 -0.00 0.00 0.00 43.42 43.26 1wf6 n LEU 90 CO -0.09 -1.61 0.73 0.11 -0.00 0.00 0.00 177.39 176.52 1wf6 h LYS 91 N 0.00 -0.35 -0.27 1.96 1.57 0.66 0.16 116.57 120.29 1wf6 h LYS 91 Ca 0.53 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.39 1wf6 h LYS 91 Cb 1.01 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1wf6 h LYS 91 CO -0.92 -0.23 -0.06 1.96 -0.57 0.00 0.00 179.45 179.63 1wf6 h GLN 92 N -0.36 0.01 -0.82 3.15 1.08 0.15 -0.67 115.11 117.65 1wf6 h GLN 92 Ca 0.04 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.34 1wf6 h GLN 92 Cb 0.41 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 1wf6 h GLN 92 CO -0.15 0.01 0.53 0.35 -0.95 0.00 0.00 178.83 178.62 1wf6 h PHE 93 N 0.01 0.82 0.00 2.96 3.57 0.18 0.91 116.94 125.40 1wf6 h PHE 93 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1wf6 h PHE 93 Cb 0.19 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1wf6 h PHE 93 CO -0.26 0.38 0.00 0.91 -2.23 0.00 0.00 178.31 177.12 1wf6 n TRP 94 N -4.51 0.52 -0.03 0.41 8.01 0.50 -0.94 117.44 121.40 1wf6 n TRP 94 Ca 0.14 0.20 0.08 0.00 -1.31 0.00 0.00 57.50 56.61 1wf6 n TRP 94 Cb 0.32 -0.83 0.19 0.00 -2.01 0.00 0.00 31.31 28.98 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 -1.97 3.12 0.00 -0.99 5.15 0.30 -4.69 115.26 116.18 1wf6 n ASN 95 Ca 0.03 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.08 1wf6 n ASN 95 Cb 0.21 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.97 0.00 -4.14 1.20 5.02 -0.12 -5.05 118.16 116.05 1wf6 n LYS 96 Ca 0.15 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.21 1wf6 n LYS 96 Cb 0.48 -0.05 -0.05 0.00 -0.02 0.00 0.00 35.03 35.39 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 -2.86 5.34 -0.63 4.39 0.01 -0.27 -5.07 113.70 114.61 1wf6 s SER 97 Ca 0.00 -0.28 -0.18 0.00 1.31 0.00 0.00 55.95 56.80 1wf6 s SER 97 Cb 0.00 -1.31 0.12 0.00 0.21 0.00 0.00 66.02 65.03 1wf6 s SER 97 CO 0.00 0.01 0.73 0.00 0.41 0.00 0.00 173.24 174.39 1wf6 s ALA 98 N -2.02 3.48 -0.02 1.44 0.00 -1.26 -4.37 121.76 119.01 1wf6 s ALA 98 Ca 0.32 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 49.61 1wf6 s ALA 98 Cb -0.08 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.55 1wf6 s ALA 98 CO 0.23 -2.37 0.64 -1.58 0.00 0.00 0.00 175.76 172.68 1wf6 s HIS 99 N 2.42 -0.61 -0.49 0.00 5.04 -1.26 -5.11 115.29 115.28 1wf6 s HIS 99 Ca 0.13 0.97 0.03 0.00 -1.54 0.00 0.00 55.06 54.65 1wf6 s HIS 99 Cb -0.22 0.40 0.13 0.00 0.04 0.00 0.00 32.58 32.93 1wf6 s HIS 99 CO 0.04 -0.62 0.26 1.03 -2.34 0.00 0.00 174.74 173.11 1wf6 s ARG 100 N -1.49 1.68 0.32 2.88 1.81 -1.26 -4.88 118.95 118.00 1wf6 s ARG 100 Ca -0.10 -2.37 -0.05 0.00 -1.72 0.00 0.00 55.73 51.49 1wf6 s ARG 100 Cb -0.00 -2.86 0.08 0.00 -0.45 0.00 0.00 34.95 31.71 1wf6 s ARG 100 CO 0.07 -1.14 0.35 -0.35 -0.68 0.00 0.00 175.30 173.55 1wf6 n PRO 101 N 3.25 -0.99 -3.53 3.54 -0.04 -1.26 -5.01 135.00 130.96 1wf6 n PRO 101 Ca 0.08 -0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 1wf6 n PRO 101 Cb 0.33 -0.43 -0.09 0.00 -0.04 0.00 0.00 33.50 33.27 1wf6 n PRO 101 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wf6 s HIS 102 N -1.71 3.32 -0.70 0.54 3.76 -1.23 -4.88 115.29 114.40 1wf6 s HIS 102 Ca 0.21 -1.41 -0.24 0.00 -0.15 0.00 0.00 55.06 53.47 1wf6 s HIS 102 Cb -0.01 -3.12 0.06 0.00 1.11 0.00 0.00 32.58 30.61 1wf6 s HIS 102 CO 0.15 -0.86 1.10 0.08 -0.85 0.00 0.00 174.74 174.36 1wf6 s VAL 103 N 1.48 4.10 0.39 -0.90 1.01 -1.25 0.19 120.40 125.42 1wf6 s VAL 103 Ca 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1wf6 s VAL 103 Cb -0.24 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.33 1wf6 s VAL 103 CO 0.03 -1.62 0.16 0.68 0.00 0.00 0.00 175.10 174.35 1wf6 s VAL 104 N 4.68 0.45 0.04 2.92 -7.23 0.16 -1.75 120.40 119.67 1wf6 s VAL 104 Ca 0.28 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1wf6 s VAL 104 Cb -0.13 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1wf6 s VAL 104 CO 0.11 0.00 0.13 -0.83 -0.31 0.00 0.00 175.10 174.21 1wf6 s GLY 105 N -3.56 2.10 0.42 2.32 0.00 -1.08 0.20 107.32 107.71 1wf6 s GLY 105 Ca 0.27 -0.88 0.27 0.00 0.00 0.00 0.00 44.72 44.38 1wf6 s GLY 105 CO 0.17 -0.82 1.62 0.00 0.00 0.00 0.00 173.10 174.07 1wf6 h ALA 106 N 3.54 2.58 -0.99 3.20 0.00 -1.87 0.66 119.26 126.38 1wf6 h ALA 106 Ca -0.47 0.14 0.23 0.00 0.00 0.00 0.00 54.91 54.81 1wf6 h ALA 106 Cb 1.17 0.22 -0.19 0.00 0.00 0.00 0.00 17.79 18.99 1wf6 h ALA 106 CO 0.68 -1.23 -0.13 -0.22 0.00 0.00 0.00 179.25 178.35 1wf6 h LYS 107 N 0.10 0.00 0.40 0.00 3.64 -1.92 0.45 116.57 119.23 1wf6 h LYS 107 Ca 0.82 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.18 1wf6 h LYS 107 Cb 2.44 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.24 1wf6 h LYS 107 CO -0.48 0.00 -0.38 2.35 -2.27 0.00 0.00 179.45 178.67 1wf6 h TRP 108 N 0.00 -1.06 -0.98 1.91 7.01 -0.01 0.42 115.95 123.24 1wf6 h TRP 108 Ca 0.53 0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.71 1wf6 h TRP 108 Cb 0.95 0.41 -0.17 0.00 -2.10 0.00 0.00 29.16 28.25 1wf6 h TRP 108 CO -0.65 -0.51 -0.32 -0.11 -2.79 0.00 0.00 178.44 174.06 1wf6 n LEU 109 N -4.72 -0.51 0.12 0.65 0.00 0.13 0.35 117.00 113.02 1wf6 n LEU 109 Ca -0.09 1.71 -0.13 0.00 0.00 0.00 0.00 56.01 57.49 1wf6 n LEU 109 Cb 0.35 -0.45 -0.08 0.00 0.00 0.00 0.00 43.42 43.25 1wf6 n LEU 109 CO 0.20 -1.58 0.51 -0.07 0.00 0.00 0.00 177.39 176.46 1wf6 h LEU 110 N 0.00 -1.21 -0.98 -1.96 3.38 -0.15 -0.70 115.31 113.68 1wf6 h LEU 110 Ca 0.40 0.12 0.26 0.00 0.09 0.00 0.00 57.88 58.75 1wf6 h LEU 110 Cb 0.65 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 1wf6 h LEU 110 CO -0.99 -0.46 0.54 -0.33 0.09 0.00 0.00 178.44 177.29 1wf6 h GLU 111 N -0.64 0.47 -0.40 1.13 4.39 0.17 0.86 114.58 120.55 1wf6 h GLU 111 Ca -0.02 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.73 1wf6 h GLU 111 Cb 0.62 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1wf6 h GLU 111 CO -0.18 0.31 -0.06 0.00 -1.16 0.00 0.00 179.01 177.92 1wf6 h PHE 113 N 0.04 0.23 -0.93 0.00 0.04 0.91 0.15 116.94 117.37 1wf6 h PHE 113 Ca 0.20 -0.09 0.11 0.00 2.80 0.00 0.00 57.97 60.98 1wf6 h PHE 113 Cb 0.29 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 1wf6 h PHE 113 CO -0.32 0.77 0.60 1.03 -0.60 0.00 0.00 178.31 179.79 1wf6 h SER 114 N -0.38 0.83 1.48 2.17 0.87 0.95 0.21 113.55 119.68 1wf6 h SER 114 Ca -0.01 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 1wf6 h SER 114 Cb 0.78 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1wf6 h SER 114 CO 0.03 0.46 -0.52 0.11 -0.53 0.00 0.00 176.83 176.38 1wf6 h LYS 115 N 0.90 0.00 0.00 2.24 1.79 0.21 -3.47 116.57 118.25 1wf6 h LYS 115 Ca 0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1wf6 h LYS 115 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1wf6 h LYS 115 CO -0.21 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.06 1wf6 n GLY 116 N 1.23 1.31 3.11 3.86 0.00 0.74 -4.98 105.19 110.46 1wf6 n GLY 116 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.36 0.50 0.17 1.61 -0.85 0.10 -4.20 117.35 112.32 1wf6 s TYR 117 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 57.07 55.22 1wf6 s TYR 117 Cb 0.00 -0.36 -0.09 0.00 0.38 0.00 0.00 41.96 41.90 1wf6 s TYR 117 CO 0.00 -0.41 1.37 -1.64 -1.52 0.00 0.00 175.55 173.35 1wf6 s MET 118 N -3.92 4.34 0.54 -3.49 -1.94 -1.26 -4.22 119.30 109.34 1wf6 s MET 118 Ca 0.08 2.11 0.07 0.00 -1.71 0.00 0.00 55.69 56.24 1wf6 s MET 118 Cb 0.08 -3.20 0.04 0.00 2.01 0.00 0.00 34.83 33.76 1wf6 s MET 118 CO -0.09 -0.37 0.50 -0.51 -0.01 0.00 0.00 175.02 174.55 1wf6 s LEU 119 N 0.40 2.90 0.45 -0.03 1.43 -1.26 -5.04 118.68 117.54 1wf6 s LEU 119 Ca 0.61 -1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 1wf6 s LEU 119 Cb -0.38 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 1wf6 s LEU 119 CO 0.35 -1.11 1.22 -0.44 0.23 0.00 0.00 176.35 176.60 1wf6 s SER 120 N -4.36 6.12 -0.02 2.29 0.01 -1.26 -4.94 113.70 111.54 1wf6 s SER 120 Ca 0.43 2.44 0.20 0.00 1.31 0.00 0.00 55.95 60.33 1wf6 s SER 120 Cb -0.03 -2.62 -0.22 0.00 0.21 0.00 0.00 66.02 63.36 1wf6 s SER 120 CO 0.27 -0.96 0.55 -0.62 0.41 0.00 0.00 173.24 172.89 1wf6 n GLU 121 N -0.36 0.65 -0.22 12.44 4.71 -1.26 -4.24 120.64 132.35 1wf6 n GLU 121 Ca 0.07 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1wf6 n GLU 121 Cb 0.47 -1.64 0.12 0.00 -1.01 0.00 0.00 31.44 29.37 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wf6 h GLU 122 N 0.00 0.49 0.00 3.49 5.08 -1.96 0.49 114.58 122.18 1wf6 h GLU 122 Ca -0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1wf6 h GLU 122 Cb 1.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1wf6 h GLU 122 CO 0.02 0.33 0.00 -0.35 -1.00 0.00 0.00 179.01 178.01 1wf6 n PRO 123 N -4.92 0.75 -2.35 2.33 -0.04 -1.26 -2.80 135.00 126.70 1wf6 n PRO 123 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1wf6 n PRO 123 Cb 0.27 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.88 1.15 -2.85 0.54 4.01 0.16 -5.09 117.16 114.19 1wf6 n TYR 124 Ca 0.14 -1.79 -0.32 0.00 -0.16 0.00 0.00 57.90 55.76 1wf6 n TYR 124 Cb 0.06 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 38.81 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 -3.12 4.54 -0.35 -0.72 -1.09 -0.42 -2.63 121.20 117.40 1wf6 s ILE 125 Ca 0.32 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 59.90 1wf6 s ILE 125 Cb 0.35 -3.63 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 1wf6 s ILE 125 CO -0.06 -0.35 0.12 -2.28 -1.23 0.00 0.00 174.94 171.13 1wf6 s HIS 126 N -2.21 3.36 0.52 3.97 2.46 -0.72 -4.83 115.29 117.85 1wf6 s HIS 126 Ca 0.58 -1.85 0.04 0.00 0.47 0.00 0.00 55.06 54.30 1wf6 s HIS 126 Cb -0.10 -2.56 0.01 0.00 -0.13 0.00 0.00 32.58 29.80 1wf6 s HIS 126 CO 0.19 -0.83 0.22 -1.54 -2.47 0.00 0.00 174.74 170.31 1wf6 s SER 127 N 1.56 4.41 0.20 9.88 1.04 -1.26 -4.94 113.70 124.59 1wf6 s SER 127 Ca 0.00 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 54.97 1wf6 s SER 127 Cb -0.21 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1wf6 s SER 127 CO -0.00 -0.96 0.27 -0.83 0.98 0.00 0.00 173.24 172.70 1wf6 s GLY 128 N -4.09 0.87 -0.77 7.32 0.00 -1.26 -5.09 107.32 104.30 1wf6 s GLY 128 Ca 0.23 -1.22 -0.26 0.00 0.00 0.00 0.00 44.72 43.48 1wf6 s GLY 128 CO 0.14 -1.01 1.61 2.56 0.00 0.00 0.00 173.10 176.39 1wf6 s PRO 129 N -4.06 2.96 -0.03 2.90 0.04 -1.26 -4.78 135.00 130.78 1wf6 s PRO 129 Ca 0.27 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 61.18 1wf6 s PRO 129 Cb 0.04 -4.58 -0.01 0.00 0.04 0.00 0.00 34.50 29.99 1wf6 s PRO 129 CO 0.07 -2.55 -0.05 0.43 0.04 0.00 0.00 177.00 174.94 1wf6 n SER 130 N 11.17 0.32 0.07 6.66 7.64 -1.26 -4.67 113.62 133.54 1wf6 n SER 130 Ca 0.20 0.12 -0.14 0.00 1.01 0.00 0.00 58.87 60.06 1wf6 n SER 130 Cb 0.50 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 1wf6 n SER 130 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wf6 h SER 131 N -0.17 -1.31 0.00 6.43 0.87 -2.08 -3.58 113.55 113.72 1wf6 h SER 131 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1wf6 h SER 131 Cb 0.15 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wf6 h SER 131 CO 0.00 -0.47 0.00 0.61 -0.53 0.00 0.00 176.83 176.44