#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 n SER 2 N 0.00 -3.21 -3.66 1.61 3.41 -1.26 -5.06 113.62 105.45 1wg6 n SER 2 Ca 0.00 1.37 -0.11 0.00 -0.26 0.00 0.00 58.87 59.87 1wg6 n SER 2 Cb 0.00 -4.43 -0.08 0.00 -0.26 0.00 0.00 64.21 59.44 1wg6 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wg6 s SER 3 N -0.50 -0.73 0.00 4.04 0.01 -1.26 -5.15 113.70 110.10 1wg6 s SER 3 Ca -0.18 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1wg6 s SER 3 Cb 0.01 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.46 1wg6 s SER 3 CO 0.48 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1wg6 n GLY 4 N 3.56 4.29 3.58 3.44 0.00 -1.26 -5.19 105.19 113.61 1wg6 n GLY 4 Ca -0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 1wg6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg6 s SER 5 N 0.00 -0.16 -0.24 1.61 0.15 -1.26 -5.19 113.70 108.61 1wg6 s SER 5 Ca 0.00 0.00 -0.35 0.00 0.70 0.00 0.00 55.95 56.30 1wg6 s SER 5 Cb 0.00 0.17 0.15 0.00 -1.71 0.00 0.00 66.02 64.63 1wg6 s SER 5 CO 0.00 -0.27 1.29 -0.55 1.20 0.00 0.00 173.24 174.90 1wg6 s SER 6 N -2.19 -0.08 0.00 5.45 0.15 -1.26 -5.19 113.70 110.58 1wg6 s SER 6 Ca 0.09 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1wg6 s SER 6 Cb -0.01 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1wg6 s SER 6 CO -0.05 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1wg6 n GLY 7 N 0.06 5.31 0.00 9.45 0.00 -1.26 -5.17 105.19 113.58 1wg6 n GLY 7 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1wg6 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg6 n LEU 8 N 0.00 0.00 -4.30 0.99 4.77 -1.26 -5.17 117.00 112.03 1wg6 n LEU 8 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1wg6 n LEU 8 Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 1wg6 n LEU 8 CO 0.00 0.00 0.40 -0.54 -1.33 0.00 0.00 177.39 175.92 1wg6 s LYS 9 N 0.00 -2.85 0.22 3.23 1.02 -1.26 -5.01 119.74 115.09 1wg6 s LYS 9 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1wg6 s LYS 9 Cb 0.00 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.93 1wg6 s LYS 9 CO 0.00 -4.85 0.00 0.41 -0.92 0.00 0.00 175.35 169.99 1wg6 n GLY 10 N 1.54 -0.41 1.91 -3.33 0.00 -1.26 -5.15 105.19 98.49 1wg6 n GLY 10 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wg6 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wg6 n GLU 11 N -3.17 -4.32 0.00 1.61 1.02 -1.26 -4.92 120.64 109.61 1wg6 n GLU 11 Ca 0.00 3.19 -0.18 0.00 -0.02 0.00 0.00 57.16 60.15 1wg6 n GLU 11 Cb 0.00 -3.64 -0.10 0.00 -0.02 0.00 0.00 31.44 27.68 1wg6 n GLU 11 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wg6 h PRO 12 N 3.42 0.56 -1.81 3.49 0.13 -2.06 -3.50 132.00 132.23 1wg6 h PRO 12 Ca 0.00 -0.54 0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1wg6 h PRO 12 Cb 0.00 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1wg6 h PRO 12 CO 0.00 1.17 -0.51 -3.47 -0.23 0.00 0.00 178.00 174.96 1wg6 n ASP 13 N -4.10 -4.08 -3.76 1.44 2.03 -1.26 -5.06 116.55 101.76 1wg6 n ASP 13 Ca -0.10 0.88 -0.11 0.00 0.52 0.00 0.00 54.79 55.98 1wg6 n ASP 13 Cb 0.72 -2.07 -0.07 0.00 -0.72 0.00 0.00 41.12 38.97 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wg6 n TYR 15 N 0.48 -3.02 -4.38 0.00 0.18 -1.26 -4.99 117.16 104.18 1wg6 n TYR 15 Ca -0.18 -0.40 -0.34 0.00 1.88 0.00 0.00 57.90 58.86 1wg6 n TYR 15 Cb 0.60 -1.18 -0.11 0.00 -0.38 0.00 0.00 39.34 38.27 1wg6 n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1wg6 s ALA 16 N -2.07 3.12 0.00 -3.48 0.00 -1.26 -5.02 121.76 113.05 1wg6 s ALA 16 Ca 0.46 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1wg6 s ALA 16 Cb -0.08 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1wg6 s ALA 16 CO 0.38 0.35 0.00 1.47 0.00 0.00 0.00 175.76 177.97 1wg6 n LEU 17 N 3.00 0.00 -3.67 0.00 -0.00 -1.26 -4.99 117.00 110.08 1wg6 n LEU 17 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.87 1wg6 n LEU 17 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1wg6 n LEU 17 CO 0.31 -0.19 1.20 -0.94 -0.00 0.00 0.00 177.39 177.78 1wg6 s SER 18 N -4.00 -0.01 0.26 1.45 1.04 -1.26 -5.16 113.70 106.03 1wg6 s SER 18 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1wg6 s SER 18 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1wg6 s SER 18 CO 0.00 -0.04 0.00 -0.11 0.98 0.00 0.00 173.24 174.07 1wg6 n LEU 19 N -0.61 0.00 -3.09 2.42 7.94 -1.26 -4.87 117.00 117.53 1wg6 n LEU 19 Ca -0.06 0.54 -0.14 0.00 -1.11 0.00 0.00 56.01 55.24 1wg6 n LEU 19 Cb 0.63 -1.70 0.01 0.00 0.53 0.00 0.00 43.42 42.89 1wg6 n LEU 19 CO 0.12 -1.21 -0.38 -0.62 -1.11 0.00 0.00 177.39 174.18 1wg6 n GLU 20 N -1.95 -0.81 -4.00 1.96 -0.58 -1.26 -4.94 120.64 109.06 1wg6 n GLU 20 Ca 0.00 0.93 -0.31 0.00 -0.42 0.00 0.00 57.16 57.36 1wg6 n GLU 20 Cb 0.23 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 29.70 1wg6 n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wg6 s SER 21 N -1.07 4.16 0.19 1.62 0.01 -1.26 -5.05 113.70 112.30 1wg6 s SER 21 Ca 0.14 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1wg6 s SER 21 Cb -0.01 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1wg6 s SER 21 CO 0.31 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.50 1wg6 n SER 22 N 4.55 -0.98 -4.39 2.44 2.88 -1.26 -4.79 113.62 112.06 1wg6 n SER 22 Ca -0.12 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.07 1wg6 n SER 22 Cb 0.43 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 1wg6 n SER 22 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1wg6 s GLU 23 N 0.00 3.50 -0.03 -1.46 2.02 -1.25 -5.08 118.70 116.41 1wg6 s GLU 23 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 1wg6 s GLU 23 Cb 0.00 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.26 1wg6 s GLU 23 CO 0.00 -0.02 0.12 -1.14 0.02 0.00 0.00 175.26 174.24 1wg6 s GLN 24 N 1.03 0.27 0.22 1.61 -0.44 -1.26 -1.31 119.66 119.78 1wg6 s GLN 24 Ca 0.01 -0.07 0.12 0.00 -2.50 0.00 0.00 55.36 52.91 1wg6 s GLN 24 Cb -0.15 0.12 -0.05 0.00 -1.64 0.00 0.00 33.01 31.30 1wg6 s GLN 24 CO 0.01 -0.05 -0.23 -0.51 0.50 0.00 0.00 175.29 175.01 1wg6 s LEU 25 N -0.53 2.48 -0.22 3.68 1.43 -0.99 -4.98 118.68 119.55 1wg6 s LEU 25 Ca -0.06 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.11 1wg6 s LEU 25 Cb -0.04 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 45.09 1wg6 s LEU 25 CO 0.01 0.10 0.04 -0.89 0.23 0.00 0.00 176.35 175.84 1wg6 s THR 26 N -1.89 0.68 -0.13 5.49 2.01 -1.26 -2.32 115.64 118.23 1wg6 s THR 26 Ca 0.23 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1wg6 s THR 26 Cb -0.07 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1wg6 s THR 26 CO 0.11 -0.31 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.87 1wg6 s LEU 27 N 1.77 2.84 0.22 4.42 2.01 -0.97 -4.95 118.68 124.02 1wg6 s LEU 27 Ca 0.01 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 53.88 1wg6 s LEU 27 Cb -0.17 -1.65 -0.04 0.00 0.01 0.00 0.00 46.19 44.34 1wg6 s LEU 27 CO -0.12 0.18 0.40 -1.61 1.01 0.00 0.00 176.35 176.21 1wg6 s GLU 28 N 0.29 3.50 -0.12 1.70 2.02 -1.26 -1.34 118.70 123.50 1wg6 s GLU 28 Ca -0.08 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 1wg6 s GLU 28 Cb -0.15 -2.83 0.06 0.00 0.10 0.00 0.00 34.13 31.30 1wg6 s GLU 28 CO 0.05 0.38 0.24 0.42 0.02 0.00 0.00 175.26 176.37 1wg6 s ILE 29 N -1.92 -0.30 0.12 -1.63 1.01 -0.74 -4.85 121.20 112.88 1wg6 s ILE 29 Ca 0.38 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 1wg6 s ILE 29 Cb -0.11 -0.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.90 1wg6 s ILE 29 CO 0.30 0.11 1.14 -2.16 0.00 0.00 0.00 174.94 174.33 1wg6 s PRO 30 N 2.11 4.51 -0.60 2.79 0.04 -1.26 -0.63 135.00 141.96 1wg6 s PRO 30 Ca -0.01 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1wg6 s PRO 30 Cb -0.12 -3.31 0.39 0.00 0.04 0.00 0.00 34.50 31.50 1wg6 s PRO 30 CO -0.08 -0.09 1.48 1.28 0.04 0.00 0.00 177.00 179.63 1wg6 n LEU 31 N 3.14 5.84 0.01 -3.56 4.77 -0.04 -4.65 117.00 122.52 1wg6 n LEU 31 Ca 0.06 -5.06 -0.02 0.00 -0.03 0.00 0.00 56.01 50.96 1wg6 n LEU 31 Cb 0.46 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1wg6 n LEU 31 CO 0.55 2.05 0.06 0.78 -1.33 0.00 0.00 177.39 179.49 1wg6 h ASN 32 N 2.74 -0.08 0.36 -1.43 2.35 -1.93 -2.50 115.58 115.08 1wg6 h ASN 32 Ca 0.41 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.84 1wg6 h ASN 32 Cb 0.57 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1wg6 h ASN 32 CO 1.09 0.22 -1.83 -0.67 -1.65 0.00 0.00 177.43 174.59 1wg6 n ASP 33 N -3.83 1.26 -0.01 5.81 -0.08 -1.26 -4.20 116.55 114.24 1wg6 n ASP 33 Ca -0.01 0.34 -0.17 0.00 -1.51 0.00 0.00 54.79 53.44 1wg6 n ASP 33 Cb 0.04 -0.29 -0.10 0.00 2.34 0.00 0.00 41.12 43.11 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1wg6 h SER 34 N 0.02 0.57 -1.12 1.67 0.87 -1.82 -3.22 113.55 110.52 1wg6 h SER 34 Ca -0.34 -0.69 0.43 0.00 -1.23 0.00 0.00 61.79 59.96 1wg6 h SER 34 Cb 2.03 -0.17 -0.17 0.00 -0.44 0.00 0.00 62.40 63.65 1wg6 h SER 34 CO 0.08 1.18 0.65 1.23 -0.53 0.00 0.00 176.83 179.44 1wg6 h GLY 35 N 0.00 1.99 -0.42 5.77 0.00 -1.58 1.31 103.07 110.14 1wg6 h GLY 35 Ca -0.05 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1wg6 h GLY 35 CO 0.11 -0.70 -0.25 1.44 0.00 0.00 0.00 176.54 177.15 1wg6 n SER 36 N -5.09 -0.44 -0.03 0.19 7.64 -1.21 -2.06 113.62 112.61 1wg6 n SER 36 Ca 0.38 1.18 -0.05 0.00 1.01 0.00 0.00 58.87 61.40 1wg6 n SER 36 Cb 1.37 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 64.11 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg6 n ALA 37 N -3.10 1.71 0.00 -0.43 0.00 -0.20 -5.09 120.51 113.41 1wg6 n ALA 37 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1wg6 n ALA 37 Cb 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1wg6 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wg6 n GLY 38 N 1.56 1.32 0.10 0.00 0.00 0.43 -4.93 105.19 103.67 1wg6 n GLY 38 Ca -0.20 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 1wg6 n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg6 n LEU 39 N 0.00 -0.24 0.00 0.99 4.77 -1.26 -4.03 117.00 117.23 1wg6 n LEU 39 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1wg6 n LEU 39 Cb 0.00 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1wg6 n LEU 39 CO 0.00 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 175.97 1wg6 n GLY 40 N -1.06 1.94 3.20 -0.72 0.00 -1.26 -4.28 105.19 103.01 1wg6 n GLY 40 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1wg6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wg6 s VAL 41 N -2.00 1.31 -0.10 1.61 -7.23 -1.26 -4.35 120.40 108.38 1wg6 s VAL 41 Ca 0.00 -1.33 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1wg6 s VAL 41 Cb 0.00 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1wg6 s VAL 41 CO 0.00 -0.13 0.10 -0.55 -0.31 0.00 0.00 175.10 174.22 1wg6 s SER 42 N -1.69 6.05 0.49 4.85 0.15 -1.24 -5.04 113.70 117.28 1wg6 s SER 42 Ca 0.01 0.36 0.04 0.00 0.70 0.00 0.00 55.95 57.06 1wg6 s SER 42 Cb -0.10 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.32 1wg6 s SER 42 CO 0.03 0.39 0.15 -0.76 1.20 0.00 0.00 173.24 174.24 1wg6 s LEU 43 N -1.08 2.60 0.04 3.45 1.43 -1.26 -0.87 118.68 122.99 1wg6 s LEU 43 Ca 0.16 -1.42 0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1wg6 s LEU 43 Cb -0.12 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1wg6 s LEU 43 CO 0.05 -0.84 -0.06 -0.75 0.23 0.00 0.00 176.35 174.98 1wg6 s LYS 44 N -3.98 0.50 -0.15 1.70 2.20 0.53 -4.62 119.74 115.93 1wg6 s LYS 44 Ca 0.22 -0.79 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1wg6 s LYS 44 Cb 0.02 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.14 1wg6 s LYS 44 CO 0.13 0.01 0.01 0.20 -0.36 0.00 0.00 175.35 175.34 1wg6 s GLY 45 N -1.74 1.83 -0.18 5.54 0.00 -1.26 0.05 107.32 111.57 1wg6 s GLY 45 Ca -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1wg6 s GLY 45 CO -0.01 -0.17 -0.10 -1.31 0.00 0.00 0.00 173.10 171.52 1wg6 s ASN 46 N -0.01 4.03 0.15 1.64 0.01 -1.20 -4.99 114.94 114.57 1wg6 s ASN 46 Ca 0.03 -0.40 0.10 0.00 -0.71 0.00 0.00 52.86 51.88 1wg6 s ASN 46 Cb -0.13 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.84 1wg6 s ASN 46 CO 0.02 0.06 -0.17 -0.75 -1.51 0.00 0.00 177.10 174.74 1wg6 s LYS 47 N 0.98 1.78 -0.10 -0.60 2.36 -1.26 -1.58 119.74 121.32 1wg6 s LYS 47 Ca -0.01 -1.29 0.02 0.00 -2.55 0.00 0.00 55.97 52.14 1wg6 s LYS 47 Cb -0.15 -2.05 -0.01 0.00 -1.05 0.00 0.00 37.83 34.57 1wg6 s LYS 47 CO -0.01 0.45 -0.19 0.45 1.55 0.00 0.00 175.35 177.60 1wg6 s SER 48 N -2.45 3.57 -0.14 1.43 0.15 0.28 -4.88 113.70 111.65 1wg6 s SER 48 Ca 0.20 -0.42 -0.23 0.00 0.70 0.00 0.00 55.95 56.20 1wg6 s SER 48 Cb -0.09 -1.38 -0.25 0.00 -1.71 0.00 0.00 66.02 62.59 1wg6 s SER 48 CO 0.11 0.19 0.56 -0.09 1.20 0.00 0.00 173.24 175.21 1wg6 h ARG 49 N 6.51 0.09 -0.97 5.44 2.43 -1.95 0.28 114.38 126.21 1wg6 h ARG 49 Ca -0.26 -0.15 0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1wg6 h ARG 49 Cb 1.21 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 30.69 1wg6 h ARG 49 CO 0.51 1.07 -0.51 0.93 -1.51 0.00 0.00 179.97 180.47 1wg6 h GLU 50 N -0.76 -0.02 0.20 0.20 4.39 -1.97 -1.72 114.58 114.89 1wg6 h GLU 50 Ca -0.20 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.18 1wg6 h GLU 50 Cb 1.35 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1wg6 h GLU 50 CO -0.04 -0.01 -1.53 1.79 -1.16 0.00 0.00 179.01 178.06 1wg6 h THR 51 N -0.02 1.11 -1.15 1.13 1.35 -2.01 -3.49 112.91 109.83 1wg6 h THR 51 Ca 0.23 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1wg6 h THR 51 Cb 0.49 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1wg6 h THR 51 CO -0.94 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 1wg6 n GLY 52 N 1.78 0.50 3.42 5.82 0.00 0.01 -5.10 105.19 111.61 1wg6 n GLY 52 Ca -0.21 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1wg6 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wg6 s THR 53 N -2.22 0.00 -0.44 2.61 2.01 -0.73 -4.99 115.64 111.89 1wg6 s THR 53 Ca 0.00 -1.70 -0.16 0.00 0.31 0.00 0.00 61.69 60.14 1wg6 s THR 53 Cb 0.00 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1wg6 s THR 53 CO 0.00 0.00 0.37 -1.81 -0.69 0.00 0.00 174.62 172.49 1wg6 s ASP 54 N -3.17 6.14 0.17 3.53 1.01 -1.26 -0.55 116.67 122.54 1wg6 s ASP 54 Ca 0.32 -1.01 -0.23 0.00 0.71 0.00 0.00 52.55 52.33 1wg6 s ASP 54 Cb 0.02 -2.18 0.06 0.00 1.01 0.00 0.00 42.92 41.82 1wg6 s ASP 54 CO 0.16 -0.56 1.59 -0.07 0.21 0.00 0.00 175.17 176.50 1wg6 h LEU 55 N 8.79 -1.15 0.00 1.23 3.38 -1.63 -3.45 115.31 122.48 1wg6 h LEU 55 Ca -0.27 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wg6 h LEU 55 Cb 1.11 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1wg6 h LEU 55 CO 0.80 -0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1wg6 n GLY 56 N -1.42 -0.56 3.41 0.83 0.00 -1.23 -4.77 105.19 101.45 1wg6 n GLY 56 Ca 0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1wg6 n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg6 s ILE 57 N -4.00 2.52 -0.02 -0.61 -1.09 -1.26 -3.25 121.20 113.48 1wg6 s ILE 57 Ca 0.00 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.12 1wg6 s ILE 57 Cb 0.00 -2.04 0.03 0.00 -1.58 0.00 0.00 42.46 38.87 1wg6 s ILE 57 CO 0.00 0.33 0.02 -0.36 -1.23 0.00 0.00 174.94 173.70 1wg6 s PHE 58 N -0.89 0.08 0.69 3.97 0.40 0.11 -1.12 117.98 121.22 1wg6 s PHE 58 Ca 0.14 0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.41 1wg6 s PHE 58 Cb -0.10 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 1wg6 s PHE 58 CO 0.04 -0.10 0.61 -0.89 0.70 0.00 0.00 175.22 175.59 1wg6 n ILE 59 N 4.17 2.14 -0.08 0.64 5.41 -1.21 0.20 119.36 130.62 1wg6 n ILE 59 Ca -0.28 -0.42 -0.17 0.00 1.00 0.00 0.00 62.75 62.88 1wg6 n ILE 59 Cb 0.50 -0.80 -0.06 0.00 -0.71 0.00 0.00 39.64 38.58 1wg6 n ILE 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1wg6 n LYS 60 N -0.76 0.37 -3.63 0.38 0.00 -0.05 0.10 118.16 114.57 1wg6 n LYS 60 Ca 0.11 0.16 -0.04 0.00 0.00 0.00 0.00 58.31 58.53 1wg6 n LYS 60 Cb 0.49 -1.12 -0.05 0.00 0.00 0.00 0.00 35.03 34.36 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wg6 s SER 61 N -6.49 -0.14 -0.01 3.14 0.01 -1.16 -4.59 113.70 104.46 1wg6 s SER 61 Ca -0.24 0.16 -0.14 0.00 1.31 0.00 0.00 55.95 57.04 1wg6 s SER 61 Cb 0.08 0.13 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 1wg6 s SER 61 CO 0.30 -0.12 0.39 -0.63 0.41 0.00 0.00 173.24 173.60 1wg6 s ILE 62 N -0.93 5.06 -0.66 1.44 1.09 -1.26 -3.62 121.20 122.32 1wg6 s ILE 62 Ca 0.06 0.81 -0.18 0.00 -1.10 0.00 0.00 60.65 60.23 1wg6 s ILE 62 Cb -0.01 -3.70 0.12 0.00 -1.06 0.00 0.00 42.46 37.81 1wg6 s ILE 62 CO -0.06 0.57 0.77 -0.63 -0.10 0.00 0.00 174.94 175.49 1wg6 s ILE 63 N -0.99 4.87 0.68 2.92 1.09 -1.26 -4.99 121.20 123.52 1wg6 s ILE 63 Ca 0.23 -1.20 -0.09 0.00 -1.10 0.00 0.00 60.65 58.49 1wg6 s ILE 63 Cb -0.16 -4.53 0.15 0.00 -1.06 0.00 0.00 42.46 36.85 1wg6 s ILE 63 CO 0.13 -1.18 0.33 1.41 -0.10 0.00 0.00 174.94 175.53 1wg6 n HIS 64 N 6.16 -2.22 -3.56 3.97 8.25 -1.26 -3.31 115.22 123.25 1wg6 n HIS 64 Ca -0.03 -0.15 -0.24 0.00 -0.26 0.00 0.00 57.72 57.04 1wg6 n HIS 64 Cb 0.44 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 1wg6 n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wg6 n GLY 65 N -1.51 -0.46 0.00 -1.41 0.00 -1.26 -4.82 105.19 95.72 1wg6 n GLY 65 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wg6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg6 n GLY 66 N -0.97 5.33 0.08 -0.02 0.00 -1.21 -5.05 105.19 103.35 1wg6 n GLY 66 Ca 0.04 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1wg6 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg6 h ALA 67 N 1.04 0.06 -0.71 4.61 0.00 -1.82 -3.36 119.26 119.07 1wg6 h ALA 67 Ca 0.00 -0.65 0.19 0.00 0.00 0.00 0.00 54.91 54.45 1wg6 h ALA 67 Cb 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1wg6 h ALA 67 CO 0.00 0.53 0.50 0.00 0.00 0.00 0.00 179.25 180.28 1wg6 h ALA 68 N -0.87 2.53 -1.00 0.00 0.00 -1.84 -0.86 119.26 117.22 1wg6 h ALA 68 Ca -0.08 -0.02 0.39 0.00 0.00 0.00 0.00 54.91 55.20 1wg6 h ALA 68 Cb 0.68 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 1wg6 h ALA 68 CO -0.05 -0.73 0.48 0.35 0.00 0.00 0.00 179.25 179.29 1wg6 h PHE 69 N 0.10 0.73 -0.52 0.00 3.57 -1.71 1.63 116.94 120.73 1wg6 h PHE 69 Ca 0.35 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.98 1wg6 h PHE 69 Cb 1.23 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 1wg6 h PHE 69 CO -0.00 -0.44 0.11 0.87 -2.23 0.00 0.00 178.31 176.62 1wg6 h LYS 70 N 0.04 0.24 0.00 1.11 1.57 -1.37 0.14 116.57 118.29 1wg6 h LYS 70 Ca 0.80 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 1wg6 h LYS 70 Cb 2.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.31 1wg6 h LYS 70 CO -0.77 0.16 -0.46 -3.47 -0.57 0.00 0.00 179.45 174.34 1wg6 n ASP 71 N -5.11 0.60 -0.56 0.86 -0.08 0.45 -4.04 116.55 108.67 1wg6 n ASP 71 Ca 0.06 0.13 0.44 0.00 -1.51 0.00 0.00 54.79 53.92 1wg6 n ASP 71 Cb 0.26 -0.00 0.68 0.00 2.34 0.00 0.00 41.12 44.39 1wg6 n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg6 n GLY 72 N 1.39 -0.86 0.66 0.27 0.00 0.42 0.13 105.19 107.19 1wg6 n GLY 72 Ca 0.04 0.57 0.48 0.00 0.00 0.00 0.00 46.02 47.11 1wg6 n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wg6 n ARG 73 N -3.61 0.00 -0.88 1.61 1.85 -1.25 -4.32 116.66 110.05 1wg6 n ARG 73 Ca 0.37 1.03 -0.30 0.00 -1.00 0.00 0.00 57.85 57.95 1wg6 n ARG 73 Cb 1.76 -2.42 0.26 0.00 -1.05 0.00 0.00 32.46 31.01 1wg6 n ARG 73 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wg6 s LEU 74 N -7.47 0.13 -0.03 2.89 1.43 0.12 -5.06 118.68 110.70 1wg6 s LEU 74 Ca -0.04 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1wg6 s LEU 74 Cb 0.24 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1wg6 s LEU 74 CO 0.79 -4.55 -0.15 -0.13 0.23 0.00 0.00 176.35 172.53 1wg6 s ARG 75 N -5.36 1.46 0.94 1.70 0.52 -1.26 -4.97 118.95 111.97 1wg6 s ARG 75 Ca 0.71 -0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 55.23 1wg6 s ARG 75 Cb -0.10 -1.33 0.09 0.00 0.52 0.00 0.00 34.95 34.13 1wg6 s ARG 75 CO 0.56 0.27 0.02 0.00 0.02 0.00 0.00 175.30 176.17 1wg6 n MET 76 N 2.97 -1.58 -2.12 3.54 0.00 -1.26 -3.52 117.12 115.14 1wg6 n MET 76 Ca -0.17 -0.47 -0.17 0.00 0.00 0.00 0.00 57.70 56.89 1wg6 n MET 76 Cb 0.54 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.36 1wg6 n MET 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1wg6 n ASN 77 N -0.13 -5.11 -4.44 3.17 3.02 0.28 -4.84 115.26 107.22 1wg6 n ASN 77 Ca 0.03 0.10 -0.44 0.00 -0.03 0.00 0.00 54.58 54.24 1wg6 n ASN 77 Cb 0.38 -4.18 -0.03 0.00 -0.61 0.00 0.00 39.78 35.34 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wg6 s ASP 78 N -2.36 6.50 0.05 6.41 1.01 -1.23 -4.72 116.67 122.32 1wg6 s ASP 78 Ca 0.00 -1.81 -0.36 0.00 0.71 0.00 0.00 52.55 51.09 1wg6 s ASP 78 Cb 0.00 -2.38 -0.15 0.00 1.01 0.00 0.00 42.92 41.40 1wg6 s ASP 78 CO 0.00 -1.11 1.55 1.67 0.21 0.00 0.00 175.17 177.49 1wg6 n GLN 79 N 6.59 1.69 -2.82 8.23 7.27 -1.26 -3.36 117.38 133.72 1wg6 n GLN 79 Ca 0.14 0.61 -0.43 0.00 0.07 0.00 0.00 57.00 57.39 1wg6 n GLN 79 Cb 0.47 -2.34 -0.03 0.00 2.41 0.00 0.00 30.24 30.76 1wg6 n GLN 79 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1wg6 s LEU 80 N 1.49 4.52 0.00 1.69 1.02 -0.27 -3.65 118.68 123.48 1wg6 s LEU 80 Ca 0.85 -1.63 0.20 0.00 0.02 0.00 0.00 54.13 53.57 1wg6 s LEU 80 Cb -0.82 -2.44 1.00 0.00 0.02 0.00 0.00 46.19 43.95 1wg6 s LEU 80 CO 0.46 -1.27 1.63 2.30 0.02 0.00 0.00 176.35 179.50 1wg6 n ILE 81 N 5.90 0.40 -0.30 -0.59 -5.35 -0.86 -4.23 119.36 114.33 1wg6 n ILE 81 Ca 0.19 0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.77 1wg6 n ILE 81 Cb 0.49 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 1wg6 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wg6 n ALA 82 N -1.30 0.00 -3.46 -1.28 0.00 -1.26 -4.14 120.51 109.08 1wg6 n ALA 82 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1wg6 n ALA 82 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 1wg6 n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wg6 s VAL 83 N -2.10 -0.42 -1.81 0.00 0.11 0.22 -3.62 120.40 112.77 1wg6 s VAL 83 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1wg6 s VAL 83 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1wg6 s VAL 83 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1wg6 n ASN 84 N 4.74 -4.51 0.00 3.54 2.85 -0.60 0.15 115.26 121.43 1wg6 n ASN 84 Ca -0.11 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1wg6 n ASN 84 Cb 0.53 -4.07 0.00 0.00 1.24 0.00 0.00 39.78 37.48 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg6 n GLY 85 N -0.31 0.63 3.72 8.20 0.00 -1.26 -4.97 105.19 111.19 1wg6 n GLY 85 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1wg6 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wg6 s GLU 86 N -0.79 4.41 0.62 1.61 2.56 0.40 -5.05 118.70 122.48 1wg6 s GLU 86 Ca 0.00 0.80 -0.16 0.00 0.00 0.00 0.00 54.97 55.61 1wg6 s GLU 86 Cb 0.00 -3.44 -0.02 0.00 2.00 0.00 0.00 34.13 32.68 1wg6 s GLU 86 CO 0.00 0.11 1.10 -0.08 -0.56 0.00 0.00 175.26 175.83 1wg6 s THR 87 N 0.68 3.34 0.00 -1.70 -1.32 -1.26 0.70 115.64 116.07 1wg6 s THR 87 Ca 0.35 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.50 1wg6 s THR 87 Cb -0.17 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 1wg6 s THR 87 CO 0.17 -0.34 0.00 0.18 -2.21 0.00 0.00 174.62 172.41 1wg6 n LEU 88 N -2.11 1.41 -0.34 9.08 4.77 -1.26 -4.70 117.00 123.85 1wg6 n LEU 88 Ca 0.10 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.27 1wg6 n LEU 88 Cb 0.52 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.01 1wg6 n LEU 88 CO 0.46 0.19 1.16 -0.07 -1.33 0.00 0.00 177.39 177.80 1wg6 h LEU 89 N 0.00 0.65 -1.86 2.23 3.38 -1.80 1.34 115.31 119.24 1wg6 h LEU 89 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1wg6 h LEU 89 Cb 0.69 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wg6 h LEU 89 CO 0.00 0.08 -0.11 1.23 0.09 0.00 0.00 178.44 179.74 1wg6 h GLY 90 N 0.55 0.00 -0.83 0.83 0.00 -1.92 -3.43 103.07 98.26 1wg6 h GLY 90 Ca 0.65 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.71 1wg6 h GLY 90 CO -0.48 0.00 0.03 0.28 0.00 0.00 0.00 176.54 176.38 1wg6 n LYS 91 N -4.24 0.38 -1.64 4.80 5.02 0.46 -5.10 118.16 117.84 1wg6 n LYS 91 Ca -0.03 -1.66 -0.05 0.00 -2.02 0.00 0.00 58.31 54.56 1wg6 n LYS 91 Cb 0.18 -0.31 0.01 0.00 -0.02 0.00 0.00 35.03 34.90 1wg6 n LYS 91 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wg6 n SER 92 N -2.84 0.81 0.09 4.39 7.64 -1.26 -4.81 113.62 117.64 1wg6 n SER 92 Ca 0.10 -1.35 -0.13 0.00 1.01 0.00 0.00 58.87 58.49 1wg6 n SER 92 Cb 0.34 -0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 1wg6 n SER 92 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1wg6 h ASN 93 N 0.07 -0.13 0.00 6.43 2.35 -1.87 0.35 115.58 122.77 1wg6 h ASN 93 Ca -0.06 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1wg6 h ASN 93 Cb 0.26 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1wg6 h ASN 93 CO 0.09 0.00 0.00 1.57 -1.65 0.00 0.00 177.43 177.45 1wg6 n HIS 94 N -5.11 0.00 -0.16 1.19 -0.00 -1.26 -1.72 115.22 108.17 1wg6 n HIS 94 Ca -0.08 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.06 1wg6 n HIS 94 Cb 0.13 -0.44 -0.04 0.00 -0.12 0.00 0.00 29.99 29.53 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1wg6 n GLU 95 N -1.81 -0.17 -0.06 1.57 1.02 -1.25 0.62 120.64 120.57 1wg6 n GLU 95 Ca 0.00 1.12 -0.02 0.00 -0.02 0.00 0.00 57.16 58.24 1wg6 n GLU 95 Cb 0.00 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 1wg6 n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wg6 n ALA 96 N -3.08 -0.09 -0.35 0.62 0.00 0.11 0.14 120.51 117.86 1wg6 n ALA 96 Ca 0.01 0.13 0.24 0.00 0.00 0.00 0.00 53.44 53.81 1wg6 n ALA 96 Cb 0.10 0.37 0.50 0.00 0.00 0.00 0.00 19.45 20.42 1wg6 n ALA 96 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wg6 h MET 97 N 0.00 0.37 -0.05 0.00 2.86 -0.30 1.32 114.93 119.13 1wg6 h MET 97 Ca 0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wg6 h MET 97 Cb 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1wg6 h MET 97 CO -0.14 0.25 -0.13 1.05 1.06 0.00 0.00 176.91 178.99 1wg6 h GLU 98 N 0.38 0.07 0.07 1.72 -0.00 0.69 -2.63 114.58 114.89 1wg6 h GLU 98 Ca 0.66 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.36 59.83 1wg6 h GLU 98 Cb 1.62 -0.01 0.02 0.00 -0.00 0.00 0.00 28.75 30.37 1wg6 h GLU 98 CO -0.39 0.21 -0.72 1.15 -0.00 0.00 0.00 179.01 179.25 1wg6 h THR 99 N 0.07 1.46 0.00 -1.06 2.02 0.48 -3.13 112.91 112.75 1wg6 h THR 99 Ca 0.01 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1wg6 h THR 99 Cb 0.28 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1wg6 h THR 99 CO 0.02 0.66 0.00 -0.11 0.37 0.00 0.00 175.52 176.46 1wg6 n LEU 100 N -4.16 0.00 -0.11 2.58 7.94 -0.31 0.18 117.00 123.12 1wg6 n LEU 100 Ca -0.12 0.79 0.27 0.00 -1.11 0.00 0.00 56.01 55.83 1wg6 n LEU 100 Cb 0.75 -0.29 0.63 0.00 0.53 0.00 0.00 43.42 45.04 1wg6 n LEU 100 CO 0.48 -0.29 1.24 0.08 -1.11 0.00 0.00 177.39 177.79 1wg6 h ARG 101 N 0.00 0.00 0.29 1.96 0.11 -1.69 0.19 114.38 115.24 1wg6 h ARG 101 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1wg6 h ARG 101 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1wg6 h ARG 101 CO 0.00 0.00 -0.14 -0.09 0.10 0.00 0.00 179.97 179.84 1wg6 h ARG 102 N 0.00 -0.37 0.00 0.08 2.43 -0.03 -2.97 114.38 113.51 1wg6 h ARG 102 Ca 0.38 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1wg6 h ARG 102 Cb 2.06 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.69 1wg6 h ARG 102 CO -0.00 -0.25 0.03 0.43 -1.51 0.00 0.00 179.97 178.67 1wg6 n SER 103 N -4.69 0.39 -0.02 -3.80 7.64 0.46 0.22 113.62 113.83 1wg6 n SER 103 Ca -0.05 0.67 -0.16 0.00 1.01 0.00 0.00 58.87 60.34 1wg6 n SER 103 Cb 0.15 -0.71 -0.11 0.00 -1.01 0.00 0.00 64.21 62.53 1wg6 n SER 103 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1wg6 h MET 104 N 0.00 0.28 0.02 1.43 2.86 -0.69 -0.07 114.93 118.76 1wg6 h MET 104 Ca 0.00 -0.28 -0.37 0.00 -2.06 0.00 0.00 59.70 56.99 1wg6 h MET 104 Cb 0.06 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1wg6 h MET 104 CO 0.00 0.97 -2.29 0.43 1.06 0.00 0.00 176.91 177.08 1wg6 n SER 105 N -4.40 1.40 0.11 1.22 7.64 -0.40 -2.89 113.62 116.29 1wg6 n SER 105 Ca -0.10 0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 1wg6 n SER 105 Cb 0.55 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1wg6 n SER 105 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1wg6 h MET 106 N 0.01 -0.32 0.00 1.43 -1.53 0.26 0.13 114.93 114.91 1wg6 h MET 106 Ca -0.51 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 55.77 1wg6 h MET 106 Cb 2.02 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 33.15 1wg6 h MET 106 CO -0.01 -0.21 0.00 0.93 0.14 0.00 0.00 176.91 177.76 1wg6 h GLU 107 N -0.85 0.00 -0.00 0.39 4.39 -1.43 -2.62 114.58 114.45 1wg6 h GLU 107 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wg6 h GLU 107 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1wg6 h GLU 107 CO 0.06 0.00 -0.60 0.41 -1.16 0.00 0.00 179.01 177.72 1wg6 n GLY 108 N 0.50 -0.94 0.20 -3.84 0.00 -0.10 -2.38 105.19 98.63 1wg6 n GLY 108 Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1wg6 n GLY 108 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wg6 h ASN 109 N 0.44 0.62 0.09 1.61 2.35 -0.34 0.17 115.58 120.52 1wg6 h ASN 109 Ca 0.00 -0.38 -0.36 0.00 -0.55 0.00 0.00 56.30 55.00 1wg6 h ASN 109 Cb 0.53 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 1wg6 h ASN 109 CO 0.00 1.12 -2.27 2.30 -1.65 0.00 0.00 177.43 176.93 1wg6 n ILE 110 N -3.90 1.50 -0.00 2.81 -0.00 -1.25 -4.67 119.36 113.86 1wg6 n ILE 110 Ca -0.04 -0.73 -0.00 0.00 -0.00 0.00 0.00 62.75 61.97 1wg6 n ILE 110 Cb 0.68 -1.02 -0.00 0.00 -0.00 0.00 0.00 39.64 39.30 1wg6 n ILE 110 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1wg6 h ARG 111 N 0.01 -0.00 0.00 6.28 2.47 -1.55 -3.49 114.38 118.10 1wg6 h ARG 111 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1wg6 h ARG 111 Cb 2.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.39 1wg6 h ARG 111 CO 0.01 -0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.95 1wg6 n GLY 112 N 1.96 1.45 0.00 0.04 0.00 0.59 -5.01 105.19 104.22 1wg6 n GLY 112 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wg6 n GLY 112 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wg6 n MET 113 N -0.24 0.00 -3.73 1.61 -0.00 -1.26 -0.86 117.12 112.64 1wg6 n MET 113 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.58 1wg6 n MET 113 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 33.22 33.10 1wg6 n MET 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1wg6 s ILE 114 N -2.91 -0.02 -0.16 3.17 2.07 0.20 -4.04 121.20 119.50 1wg6 s ILE 114 Ca 0.00 0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.18 1wg6 s ILE 114 Cb 0.00 -0.45 -0.05 0.00 0.13 0.00 0.00 42.46 42.10 1wg6 s ILE 114 CO 0.00 0.03 0.32 -1.58 -1.91 0.00 0.00 174.94 171.80 1wg6 s GLN 115 N 0.92 4.26 -0.23 3.50 0.74 -1.26 -1.80 119.66 125.79 1wg6 s GLN 115 Ca -0.06 0.14 -0.03 0.00 0.05 0.00 0.00 55.36 55.46 1wg6 s GLN 115 Cb -0.07 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.61 1wg6 s GLN 115 CO -0.06 0.21 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.32 1wg6 s LEU 116 N 0.55 2.99 -0.20 3.68 1.43 -0.45 -1.56 118.68 125.12 1wg6 s LEU 116 Ca 0.18 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1wg6 s LEU 116 Cb -0.13 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1wg6 s LEU 116 CO 0.05 -0.07 0.06 -0.69 0.23 0.00 0.00 176.35 175.93 1wg6 s VAL 117 N 1.41 4.59 0.09 -1.59 1.01 -1.24 -2.29 120.40 122.38 1wg6 s VAL 117 Ca 0.03 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1wg6 s VAL 117 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1wg6 s VAL 117 CO -0.04 0.42 -0.22 0.27 0.00 0.00 0.00 175.10 175.53 1wg6 s ILE 118 N 0.79 2.58 -0.19 2.22 -5.25 -0.98 -2.03 121.20 118.34 1wg6 s ILE 118 Ca 0.03 -1.47 -0.01 0.00 -0.99 0.00 0.00 60.65 58.21 1wg6 s ILE 118 Cb -0.14 -2.12 0.00 0.00 2.95 0.00 0.00 42.46 43.15 1wg6 s ILE 118 CO 0.02 0.20 -0.12 -0.22 -1.79 0.00 0.00 174.94 173.03 1wg6 s LEU 119 N -1.80 2.56 -0.16 0.37 1.98 -1.24 -2.35 118.68 118.05 1wg6 s LEU 119 Ca 0.15 -0.48 -0.02 0.00 -2.89 0.00 0.00 54.13 50.89 1wg6 s LEU 119 Cb -0.10 -1.61 0.05 0.00 0.66 0.00 0.00 46.19 45.18 1wg6 s LEU 119 CO 0.07 0.02 0.02 -0.60 -1.89 0.00 0.00 176.35 173.97 1wg6 s ARG 120 N 1.18 0.74 -0.16 1.98 3.52 -0.42 -4.76 118.95 121.03 1wg6 s ARG 120 Ca 0.02 -0.28 -0.11 0.00 -0.13 0.00 0.00 55.73 55.23 1wg6 s ARG 120 Cb -0.14 -1.78 -0.07 0.00 -1.56 0.00 0.00 34.95 31.40 1wg6 s ARG 120 CO -0.05 -0.52 -0.25 -2.13 -0.81 0.00 0.00 175.30 171.55 1wg6 n ARG 121 N 5.06 0.40 -0.06 5.12 0.63 -1.26 -3.81 116.66 122.73 1wg6 n ARG 121 Ca -0.09 0.17 -0.04 0.00 -0.92 0.00 0.00 57.85 56.98 1wg6 n ARG 121 Cb 0.48 -1.17 -0.01 0.00 0.45 0.00 0.00 32.46 32.20 1wg6 n ARG 121 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1wg6 h SER 122 N -0.69 0.00 -4.58 6.15 0.87 -1.99 -3.49 113.55 109.83 1wg6 h SER 122 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1wg6 h SER 122 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1wg6 h SER 122 CO -0.21 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1wg6 n GLY 123 N 1.65 0.78 2.64 5.77 0.00 -1.26 -4.88 105.19 109.89 1wg6 n GLY 123 Ca -0.06 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1wg6 n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg6 n PRO 124 N -0.84 2.55 -3.36 1.61 -0.04 -1.26 -4.89 135.00 128.78 1wg6 n PRO 124 Ca 0.00 -1.93 -0.38 0.00 -0.04 0.00 0.00 63.50 61.15 1wg6 n PRO 124 Cb 0.00 -2.78 -0.07 0.00 -0.04 0.00 0.00 33.50 30.62 1wg6 n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wg6 s SER 125 N 3.34 6.57 -0.08 3.54 0.01 -1.26 -5.04 113.70 120.77 1wg6 s SER 125 Ca 0.52 0.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.17 1wg6 s SER 125 Cb 0.14 -2.26 0.11 0.00 0.21 0.00 0.00 66.02 64.22 1wg6 s SER 125 CO -0.02 -0.02 0.91 -0.55 0.41 0.00 0.00 173.24 173.97 1wg6 s SER 126 N 0.76 -0.40 0.00 2.44 0.15 -1.26 -5.21 113.70 110.18 1wg6 s SER 126 Ca 0.23 0.27 0.07 0.00 0.70 0.00 0.00 55.95 57.21 1wg6 s SER 126 Cb -0.15 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1wg6 s SER 126 CO 0.09 -0.49 0.71 0.61 1.20 0.00 0.00 173.24 175.35