#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 0.00 -3.59 1.61 7.64 -1.26 -5.19 113.62 112.83 1wg6 n SER 2 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1wg6 n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wg6 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg6 s SER 3 N 0.00 -0.03 0.00 6.43 0.15 -1.26 -5.17 113.70 113.82 1wg6 s SER 3 Ca 0.00 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1wg6 s SER 3 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1wg6 s SER 3 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wg6 n GLY 4 N -0.37 2.35 0.00 9.45 0.00 -1.26 -5.18 105.19 110.18 1wg6 n GLY 4 Ca -0.06 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1wg6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg6 n SER 5 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.19 113.62 111.66 1wg6 n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg6 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wg6 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg6 n SER 6 N 0.00 0.00 -3.95 -3.46 7.64 -1.26 -5.18 113.62 107.41 1wg6 n SER 6 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1wg6 n SER 6 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wg6 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wg6 s GLY 7 N 0.00 0.19 -0.30 0.23 0.00 -1.26 -5.15 107.32 101.04 1wg6 s GLY 7 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 44.72 44.10 1wg6 s GLY 7 CO 0.00 -0.53 1.17 -2.27 0.00 0.00 0.00 173.10 171.47 1wg6 s LEU 8 N -1.25 -0.22 -1.11 0.66 1.98 -1.26 -5.06 118.68 112.41 1wg6 s LEU 8 Ca -0.14 0.34 -0.03 0.00 -2.89 0.00 0.00 54.13 51.42 1wg6 s LEU 8 Cb -0.08 1.31 0.27 0.00 0.66 0.00 0.00 46.19 48.34 1wg6 s LEU 8 CO -0.01 -0.05 1.86 2.29 -1.89 0.00 0.00 176.35 178.55 1wg6 n LYS 9 N 3.65 4.95 0.00 1.98 2.85 -1.26 -4.89 118.16 125.44 1wg6 n LYS 9 Ca -0.15 -4.34 0.00 0.00 -1.05 0.00 0.00 58.31 52.77 1wg6 n LYS 9 Cb 0.56 -2.54 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wg6 n GLY 10 N 0.79 1.43 3.88 2.58 0.00 -1.26 -5.16 105.19 107.45 1wg6 n GLY 10 Ca 0.45 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1wg6 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg6 s GLU 11 N -2.00 3.75 -0.04 1.61 8.01 -1.26 -5.02 118.70 123.75 1wg6 s GLU 11 Ca 0.00 0.19 -0.24 0.00 0.01 0.00 0.00 54.97 54.93 1wg6 s GLU 11 Cb 0.00 -2.67 -0.23 0.00 -4.31 0.00 0.00 34.13 26.92 1wg6 s GLU 11 CO 0.00 0.32 1.07 -1.00 0.01 0.00 0.00 175.26 175.66 1wg6 h PRO 12 N 2.43 0.19 -4.50 0.39 0.13 -2.02 -3.50 132.00 125.13 1wg6 h PRO 12 Ca -0.47 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1wg6 h PRO 12 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wg6 h PRO 12 CO 0.69 0.89 -0.93 -0.25 -0.23 0.00 0.00 178.00 178.17 1wg6 n ASP 13 N -4.52 -9.10 -4.56 1.44 8.00 -1.26 -5.04 116.55 101.51 1wg6 n ASP 13 Ca -0.09 1.69 -0.24 0.00 0.71 0.00 0.00 54.79 56.85 1wg6 n ASP 13 Cb 0.48 -4.97 -0.09 0.00 -0.02 0.00 0.00 41.12 36.52 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wg6 s TYR 15 N -2.19 1.84 0.42 0.00 5.04 -1.26 -5.14 117.35 116.06 1wg6 s TYR 15 Ca 0.29 -0.60 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 1wg6 s TYR 15 Cb -0.07 -1.25 -0.04 0.00 0.35 0.00 0.00 41.96 40.95 1wg6 s TYR 15 CO 0.17 -0.23 0.04 0.00 -1.34 0.00 0.00 175.55 174.19 1wg6 s ALA 16 N 0.20 3.22 0.05 3.97 0.00 -1.26 -5.17 121.76 122.78 1wg6 s ALA 16 Ca -0.08 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 1wg6 s ALA 16 Cb -0.14 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1wg6 s ALA 16 CO 0.04 -0.18 0.23 -0.48 0.00 0.00 0.00 175.76 175.36 1wg6 s LEU 17 N -3.69 1.23 0.46 0.00 0.05 -1.26 -5.12 118.68 110.36 1wg6 s LEU 17 Ca 0.24 -0.37 0.00 0.00 0.05 0.00 0.00 54.13 54.05 1wg6 s LEU 17 Cb 0.06 1.09 0.00 0.00 -2.05 0.00 0.00 46.19 45.28 1wg6 s LEU 17 CO 0.12 -0.61 0.00 -0.24 -0.55 0.00 0.00 176.35 175.08 1wg6 n SER 18 N 0.52 -6.98 -4.92 1.48 2.88 -1.26 -4.95 113.62 100.39 1wg6 n SER 18 Ca -0.18 1.04 -0.20 0.00 -1.33 0.00 0.00 58.87 58.19 1wg6 n SER 18 Cb 0.60 -4.05 0.06 0.00 -0.75 0.00 0.00 64.21 60.07 1wg6 n SER 18 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wg6 s LEU 19 N -6.83 3.21 0.21 2.46 1.43 -1.26 -5.13 118.68 112.78 1wg6 s LEU 19 Ca 0.00 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 52.73 1wg6 s LEU 19 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1wg6 s LEU 19 CO 0.00 -1.33 -0.20 -0.70 0.23 0.00 0.00 176.35 174.35 1wg6 s GLU 20 N -4.75 1.46 0.95 1.70 2.12 -1.26 -5.07 118.70 113.85 1wg6 s GLU 20 Ca 0.61 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 54.39 1wg6 s GLU 20 Cb -0.07 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1wg6 s GLU 20 CO 0.39 0.32 0.00 0.45 -0.54 0.00 0.00 175.26 175.89 1wg6 n SER 21 N 0.01 -4.98 -4.24 -1.70 2.88 -1.26 -4.84 113.62 99.50 1wg6 n SER 21 Ca -0.11 0.54 -0.29 0.00 -1.33 0.00 0.00 58.87 57.68 1wg6 n SER 21 Cb 0.58 -1.51 0.23 0.00 -0.75 0.00 0.00 64.21 62.76 1wg6 n SER 21 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg6 n SER 22 N -2.47 -2.36 -4.78 -3.46 7.64 -1.26 -5.01 113.62 101.93 1wg6 n SER 22 Ca 0.00 -0.26 -0.23 0.00 1.01 0.00 0.00 58.87 59.39 1wg6 n SER 22 Cb 0.23 -1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 1wg6 n SER 22 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wg6 s GLU 23 N -4.07 2.78 -0.04 1.43 8.01 -0.89 -5.01 118.70 120.90 1wg6 s GLU 23 Ca 0.63 -1.07 -0.08 0.00 0.01 0.00 0.00 54.97 54.45 1wg6 s GLU 23 Cb -0.19 -2.50 0.01 0.00 -4.31 0.00 0.00 34.13 27.14 1wg6 s GLU 23 CO 0.64 0.42 0.19 -1.14 0.01 0.00 0.00 175.26 175.38 1wg6 s GLN 24 N -3.57 0.37 -0.03 1.61 -0.44 -1.26 -1.77 119.66 114.57 1wg6 s GLN 24 Ca 0.32 -0.01 0.07 0.00 -2.50 0.00 0.00 55.36 53.24 1wg6 s GLN 24 Cb -0.08 0.17 -0.02 0.00 -1.64 0.00 0.00 33.01 31.44 1wg6 s GLN 24 CO 0.23 -0.08 -0.26 -0.51 0.50 0.00 0.00 175.29 175.18 1wg6 s LEU 25 N -0.57 2.06 -0.39 3.68 1.43 -1.17 -5.00 118.68 118.71 1wg6 s LEU 25 Ca -0.07 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 1wg6 s LEU 25 Cb -0.04 -1.35 0.07 0.00 0.03 0.00 0.00 46.19 44.90 1wg6 s LEU 25 CO 0.01 0.30 0.21 -0.89 0.23 0.00 0.00 176.35 176.21 1wg6 s THR 26 N -0.48 4.06 -0.18 5.49 2.01 -1.26 -2.84 115.64 122.44 1wg6 s THR 26 Ca 0.06 -1.34 -0.10 0.00 0.31 0.00 0.00 61.69 60.62 1wg6 s THR 26 Cb -0.11 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1wg6 s THR 26 CO 0.00 -0.42 0.14 -0.76 -0.69 0.00 0.00 174.62 172.90 1wg6 s LEU 27 N 1.41 4.25 -0.23 4.42 2.01 -0.81 -4.95 118.68 124.77 1wg6 s LEU 27 Ca 0.02 0.29 -0.02 0.00 0.01 0.00 0.00 54.13 54.43 1wg6 s LEU 27 Cb -0.22 -2.10 0.01 0.00 0.01 0.00 0.00 46.19 43.90 1wg6 s LEU 27 CO 0.02 0.22 -0.08 -1.61 1.01 0.00 0.00 176.35 175.92 1wg6 s GLU 28 N 0.08 3.03 -0.18 1.70 2.02 -1.26 -0.37 118.70 123.72 1wg6 s GLU 28 Ca 0.10 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 1wg6 s GLU 28 Cb -0.11 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.20 1wg6 s GLU 28 CO -0.01 -0.30 -0.16 0.42 0.02 0.00 0.00 175.26 175.23 1wg6 s ILE 29 N 1.37 2.49 0.39 -1.63 1.09 0.85 -4.98 121.20 120.79 1wg6 s ILE 29 Ca 0.03 -0.81 -0.24 0.00 -1.10 0.00 0.00 60.65 58.53 1wg6 s ILE 29 Cb -0.15 -2.06 -0.09 0.00 -1.06 0.00 0.00 42.46 39.09 1wg6 s ILE 29 CO -0.06 0.51 1.06 -2.16 -0.10 0.00 0.00 174.94 174.19 1wg6 s PRO 30 N 1.14 4.18 -0.26 2.79 0.04 -1.26 0.36 135.00 141.98 1wg6 s PRO 30 Ca 0.01 1.53 0.10 0.00 0.04 0.00 0.00 61.00 62.68 1wg6 s PRO 30 Cb -0.14 -2.57 0.46 0.00 0.04 0.00 0.00 34.50 32.28 1wg6 s PRO 30 CO -0.06 -0.14 1.19 1.28 0.04 0.00 0.00 177.00 179.31 1wg6 n LEU 31 N -0.02 3.96 0.23 -3.56 4.77 -0.48 -4.64 117.00 117.26 1wg6 n LEU 31 Ca 0.05 -4.29 -0.09 0.00 -0.03 0.00 0.00 56.01 51.64 1wg6 n LEU 31 Cb 0.49 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1wg6 n LEU 31 CO 0.45 1.79 0.35 0.78 -1.33 0.00 0.00 177.39 179.43 1wg6 h ASN 32 N 1.93 -0.52 0.29 -1.43 2.35 -1.94 -0.30 115.58 115.97 1wg6 h ASN 32 Ca 0.22 0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.70 1wg6 h ASN 32 Cb 1.41 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.86 1wg6 h ASN 32 CO 0.51 -0.26 -1.96 -0.67 -1.65 0.00 0.00 177.43 173.40 1wg6 n ASP 33 N -4.28 0.45 0.06 5.81 2.03 -1.26 -4.16 116.55 115.19 1wg6 n ASP 33 Ca -0.08 0.21 -0.11 0.00 0.52 0.00 0.00 54.79 55.33 1wg6 n ASP 33 Cb 0.24 0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 41.19 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1wg6 h SER 34 N 0.00 0.48 -1.14 1.67 0.87 -1.83 -3.20 113.55 110.40 1wg6 h SER 34 Ca -0.35 -0.36 0.39 0.00 -1.23 0.00 0.00 61.79 60.24 1wg6 h SER 34 Cb 1.96 -0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 63.63 1wg6 h SER 34 CO 0.05 1.13 0.69 1.23 -0.53 0.00 0.00 176.83 179.40 1wg6 h GLY 35 N 1.34 1.74 -0.63 5.77 0.00 -1.20 1.54 103.07 111.62 1wg6 h GLY 35 Ca -0.06 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1wg6 h GLY 35 CO 0.15 -0.51 -0.37 1.44 0.00 0.00 0.00 176.54 177.25 1wg6 n SER 36 N -4.92 -0.67 0.03 0.19 7.64 -1.21 -1.65 113.62 113.02 1wg6 n SER 36 Ca 0.35 1.45 0.06 0.00 1.01 0.00 0.00 58.87 61.74 1wg6 n SER 36 Cb 1.24 -0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 64.05 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 -3.17 2.36 0.00 -0.43 0.00 -0.25 -5.09 120.51 113.93 1wg6 n ALA 37 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1wg6 n ALA 37 Cb 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.32 -0.77 0.12 0.00 0.00 0.51 -4.78 105.19 101.58 1wg6 n GLY 38 Ca -0.07 -2.24 -0.03 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.30 0.00 0.99 4.77 -1.26 -4.38 117.00 116.82 1wg6 n LEU 39 Ca 0.00 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 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 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.91 1wg6 n GLY 40 N -1.07 0.69 3.10 -0.72 0.00 -1.26 -4.09 105.19 101.83 1wg6 n GLY 40 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.17 0.18 -0.04 1.61 -7.23 -1.26 -4.30 120.40 108.18 1wg6 s VAL 41 Ca 0.00 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1wg6 s VAL 41 Cb 0.00 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1wg6 s VAL 41 CO 0.00 -0.80 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.26 1wg6 s SER 42 N -2.54 3.75 0.50 4.85 0.15 -1.26 -5.06 113.70 114.08 1wg6 s SER 42 Ca 0.01 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.40 1wg6 s SER 42 Cb 0.03 -0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 1wg6 s SER 42 CO -0.08 0.33 0.02 -0.76 1.20 0.00 0.00 173.24 173.96 1wg6 s LEU 43 N -0.67 2.40 0.39 3.45 1.43 -1.26 -0.13 118.68 124.28 1wg6 s LEU 43 Ca 0.10 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 51.65 1wg6 s LEU 43 Cb -0.11 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1wg6 s LEU 43 CO 0.00 -0.81 0.11 -1.59 0.23 0.00 0.00 176.35 174.29 1wg6 s LYS 44 N -3.87 1.85 -0.04 1.70 -2.85 0.17 -4.65 119.74 112.04 1wg6 s LYS 44 Ca 0.11 -2.11 0.01 0.00 -1.00 0.00 0.00 55.97 52.98 1wg6 s LYS 44 Cb 0.03 -0.67 0.02 0.00 -2.06 0.00 0.00 37.83 35.14 1wg6 s LYS 44 CO 0.06 -0.40 -0.04 0.20 0.10 0.00 0.00 175.35 175.26 1wg6 s GLY 45 N -3.57 0.43 -0.17 0.59 0.00 -1.26 -2.09 107.32 101.24 1wg6 s GLY 45 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 1wg6 s GLY 45 CO 0.14 0.47 -0.13 0.21 0.00 0.00 0.00 173.10 173.80 1wg6 s ASN 46 N 0.95 3.81 -0.07 1.64 3.84 -1.15 -5.02 114.94 118.94 1wg6 s ASN 46 Ca -0.11 -0.45 0.01 0.00 0.21 0.00 0.00 52.86 52.52 1wg6 s ASN 46 Cb -0.14 -1.61 -0.03 0.00 -0.55 0.00 0.00 41.25 38.92 1wg6 s ASN 46 CO -0.00 0.05 -0.08 -0.75 -2.79 0.00 0.00 177.10 173.54 1wg6 s LYS 47 N 1.01 2.73 -0.15 0.43 2.36 -1.26 0.01 119.74 124.86 1wg6 s LYS 47 Ca -0.01 -0.56 -0.06 0.00 -2.55 0.00 0.00 55.97 52.79 1wg6 s LYS 47 Cb -0.15 -2.57 -0.04 0.00 -1.05 0.00 0.00 37.83 34.02 1wg6 s LYS 47 CO -0.02 0.66 0.05 -1.12 1.55 0.00 0.00 175.35 176.47 1wg6 s SER 48 N -0.79 5.57 0.03 1.43 0.01 -0.64 -4.87 113.70 114.44 1wg6 s SER 48 Ca 0.12 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.59 1wg6 s SER 48 Cb -0.11 -1.85 -0.23 0.00 0.21 0.00 0.00 66.02 64.04 1wg6 s SER 48 CO 0.01 0.25 0.96 -0.09 0.41 0.00 0.00 173.24 174.78 1wg6 h ARG 49 N 6.10 0.05 0.33 12.44 2.43 -1.95 -1.62 114.38 132.16 1wg6 h ARG 49 Ca -0.42 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1wg6 h ARG 49 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1wg6 h ARG 49 CO 0.64 0.82 -0.21 0.93 -1.51 0.00 0.00 179.97 180.65 1wg6 h GLU 50 N 0.01 -0.50 -0.01 0.20 4.39 -1.96 -2.25 114.58 114.46 1wg6 h GLU 50 Ca -0.16 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1wg6 h GLU 50 Cb 1.91 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1wg6 h GLU 50 CO 0.12 -0.34 -0.12 0.25 -1.16 0.00 0.00 179.01 177.76 1wg6 n THR 51 N -5.34 0.00 -4.02 1.13 -2.24 -1.26 -4.92 114.28 97.63 1wg6 n THR 51 Ca -0.10 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1wg6 n THR 51 Cb 0.25 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1wg6 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wg6 n GLY 52 N 1.25 -0.48 0.00 3.38 0.00 -0.76 -4.90 105.19 103.68 1wg6 n GLY 52 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1wg6 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wg6 n THR 53 N -4.54 0.00 -4.25 2.61 5.66 -0.68 -5.01 114.28 108.07 1wg6 n THR 53 Ca 0.06 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.77 1wg6 n THR 53 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 1wg6 n THR 53 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1wg6 s ASP 54 N 1.02 4.23 -0.13 1.09 1.47 -1.26 -1.62 116.67 121.46 1wg6 s ASP 54 Ca 0.00 -0.46 -0.05 0.00 1.18 0.00 0.00 52.55 53.22 1wg6 s ASP 54 Cb 0.00 -0.74 -0.25 0.00 -0.34 0.00 0.00 42.92 41.59 1wg6 s ASP 54 CO 0.00 0.17 0.30 0.18 0.68 0.00 0.00 175.17 176.50 1wg6 n LEU 55 N 0.65 2.64 0.00 2.11 4.77 0.10 -4.78 117.00 122.49 1wg6 n LEU 55 Ca -0.14 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1wg6 n LEU 55 Cb 0.53 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1wg6 n LEU 55 CO 0.32 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1wg6 n GLY 56 N 2.02 0.51 3.36 -0.72 0.00 -1.22 -4.95 105.19 104.19 1wg6 n GLY 56 Ca -0.33 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.94 2.81 -0.08 -0.61 -1.09 -1.26 -2.93 121.20 115.11 1wg6 s ILE 57 Ca 0.00 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 1wg6 s ILE 57 Cb 0.00 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1wg6 s ILE 57 CO 0.00 0.55 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.70 1wg6 s PHE 58 N 0.06 2.11 0.46 3.97 0.40 -0.89 -0.83 117.98 123.25 1wg6 s PHE 58 Ca -0.07 -0.77 -0.21 0.00 -0.60 0.00 0.00 56.93 55.28 1wg6 s PHE 58 Cb -0.15 -1.43 -0.12 0.00 0.51 0.00 0.00 43.02 41.83 1wg6 s PHE 58 CO 0.05 -0.31 0.51 -0.89 0.70 0.00 0.00 175.22 175.27 1wg6 n ILE 59 N 3.46 1.76 -0.10 0.64 5.41 -1.17 0.42 119.36 129.77 1wg6 n ILE 59 Ca -0.20 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 62.91 1wg6 n ILE 59 Cb 0.52 -0.54 -0.05 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.52 0.54 -3.65 0.38 4.81 0.82 -0.55 118.16 121.04 1wg6 n LYS 60 Ca 0.11 0.25 0.01 0.00 -0.87 0.00 0.00 58.31 57.81 1wg6 n LYS 60 Cb 0.42 -1.46 -0.06 0.00 0.02 0.00 0.00 35.03 33.94 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1wg6 s SER 61 N -6.30 -0.15 0.32 3.14 1.04 -1.17 -4.55 113.70 106.03 1wg6 s SER 61 Ca -0.31 0.24 -0.28 0.00 0.48 0.00 0.00 55.95 56.08 1wg6 s SER 61 Cb 0.07 1.02 -0.09 0.00 0.10 0.00 0.00 66.02 67.11 1wg6 s SER 61 CO 0.44 -0.04 1.15 -0.63 0.98 0.00 0.00 173.24 175.14 1wg6 s ILE 62 N 1.05 3.29 -0.69 -1.02 1.09 -1.26 -4.05 121.20 119.61 1wg6 s ILE 62 Ca -0.08 1.23 -0.18 0.00 -1.10 0.00 0.00 60.65 60.52 1wg6 s ILE 62 Cb -0.03 -3.75 0.12 0.00 -1.06 0.00 0.00 42.46 37.74 1wg6 s ILE 62 CO -0.11 0.24 0.81 -0.63 -0.10 0.00 0.00 174.94 175.15 1wg6 s ILE 63 N -1.25 4.87 0.72 2.92 1.09 -1.26 -4.97 121.20 123.32 1wg6 s ILE 63 Ca 0.49 -1.26 -0.15 0.00 -1.10 0.00 0.00 60.65 58.63 1wg6 s ILE 63 Cb -0.32 -4.56 0.03 0.00 -1.06 0.00 0.00 42.46 36.55 1wg6 s ILE 63 CO 0.42 -1.21 1.21 -2.28 -0.10 0.00 0.00 174.94 172.97 1wg6 s HIS 64 N 2.45 2.09 0.00 3.97 5.65 -1.26 -3.05 115.29 125.13 1wg6 s HIS 64 Ca 0.17 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.07 1wg6 s HIS 64 Cb -0.18 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 1wg6 s HIS 64 CO 0.02 -2.57 0.00 0.41 -0.65 0.00 0.00 174.74 171.95 1wg6 n GLY 65 N 0.38 0.69 0.00 1.59 0.00 -1.26 -4.96 105.19 101.63 1wg6 n GLY 65 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.54 5.26 0.04 -0.02 0.00 -1.17 -5.05 105.19 101.71 1wg6 n GLY 66 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 1.00 0.00 -1.34 4.61 0.00 -1.81 -3.34 119.26 118.38 1wg6 h ALA 67 Ca 0.00 -0.24 0.39 0.00 0.00 0.00 0.00 54.91 55.05 1wg6 h ALA 67 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1wg6 h ALA 67 CO 0.00 0.21 1.14 0.00 0.00 0.00 0.00 179.25 180.59 1wg6 h ALA 68 N -1.27 3.24 -0.65 0.00 0.00 -1.82 0.46 119.26 119.21 1wg6 h ALA 68 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1wg6 h ALA 68 Cb 0.21 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1wg6 h ALA 68 CO 0.00 -1.82 -0.04 0.35 0.00 0.00 0.00 179.25 177.73 1wg6 h PHE 69 N 0.00 -0.12 0.00 0.00 3.57 -1.68 1.45 116.94 120.16 1wg6 h PHE 69 Ca 0.64 0.05 0.00 0.00 3.53 0.00 0.00 57.97 62.19 1wg6 h PHE 69 Cb 2.90 0.16 0.00 0.00 2.79 0.00 0.00 35.95 41.80 1wg6 h PHE 69 CO 0.00 -0.21 0.00 1.63 -2.23 0.00 0.00 178.31 177.50 1wg6 n LYS 70 N -5.34 0.00 0.06 1.11 5.02 0.16 0.53 118.16 119.70 1wg6 n LYS 70 Ca 0.10 0.78 0.07 0.00 -2.02 0.00 0.00 58.31 57.24 1wg6 n LYS 70 Cb 0.38 -1.40 0.32 0.00 -0.02 0.00 0.00 35.03 34.31 1wg6 n LYS 70 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wg6 n ASP 71 N -2.39 0.24 0.18 4.39 2.03 -0.96 -2.86 116.55 117.19 1wg6 n ASP 71 Ca 0.00 0.58 0.12 0.00 0.52 0.00 0.00 54.79 56.01 1wg6 n ASP 71 Cb 0.00 -0.62 0.36 0.00 -0.72 0.00 0.00 41.12 40.14 1wg6 n ASP 71 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wg6 h GLY 72 N 1.45 0.00 -1.57 0.27 0.00 0.74 -1.20 103.07 102.76 1wg6 h GLY 72 Ca 0.00 0.00 0.47 0.00 0.00 0.00 0.00 47.33 47.80 1wg6 h GLY 72 CO 0.00 0.00 1.12 -0.96 0.00 0.00 0.00 176.54 176.70 1wg6 n ARG 73 N -2.89 -0.00 -0.17 4.80 1.85 -1.13 -4.23 116.66 114.88 1wg6 n ARG 73 Ca 0.06 0.93 -0.05 0.00 -1.00 0.00 0.00 57.85 57.78 1wg6 n ARG 73 Cb 0.94 -2.08 0.04 0.00 -1.05 0.00 0.00 32.46 30.31 1wg6 n ARG 73 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wg6 n LEU 74 N -3.73 0.00 -4.02 2.89 4.77 -0.45 -5.08 117.00 111.38 1wg6 n LEU 74 Ca 0.37 -0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1wg6 n LEU 74 Cb 1.63 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 42.43 1wg6 n LEU 74 CO 0.34 -1.22 -0.38 0.00 -1.33 0.00 0.00 177.39 174.80 1wg6 s ARG 75 N -3.42 0.42 0.97 3.23 1.70 -1.26 -4.98 118.95 115.61 1wg6 s ARG 75 Ca 0.12 -0.72 -0.14 0.00 -0.47 0.00 0.00 55.73 54.52 1wg6 s ARG 75 Cb -0.01 -0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 1wg6 s ARG 75 CO 0.09 -0.01 0.14 0.00 -1.08 0.00 0.00 175.30 174.44 1wg6 n MET 76 N 1.42 -0.29 -2.04 3.89 0.00 -1.26 -4.11 117.12 114.74 1wg6 n MET 76 Ca -0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 57.70 57.41 1wg6 n MET 76 Cb 0.55 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 -0.38 -2.00 -4.02 3.17 3.02 0.29 -4.91 115.26 110.43 1wg6 n ASN 77 Ca 0.05 -0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.26 1wg6 n ASN 77 Cb 0.55 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.92 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 -3.04 4.74 0.22 6.41 1.11 -1.26 -4.79 116.67 120.05 1wg6 s ASP 78 Ca 0.00 -2.48 -0.32 0.00 0.18 0.00 0.00 52.55 49.93 1wg6 s ASP 78 Cb -0.00 -1.68 -0.14 0.00 1.07 0.00 0.00 42.92 42.17 1wg6 s ASP 78 CO 0.02 -0.35 1.35 1.67 1.18 0.00 0.00 175.17 179.04 1wg6 n GLN 79 N 3.86 1.79 -3.27 8.23 7.27 -1.25 -3.05 117.38 130.95 1wg6 n GLN 79 Ca 0.04 0.64 -0.46 0.00 0.07 0.00 0.00 57.00 57.28 1wg6 n GLN 79 Cb 0.38 -2.25 -0.03 0.00 2.41 0.00 0.00 30.24 30.75 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 0.29 6.34 0.00 1.69 1.02 -0.01 -3.73 118.68 124.28 1wg6 s LEU 80 Ca 0.70 -2.29 0.21 0.00 0.02 0.00 0.00 54.13 52.77 1wg6 s LEU 80 Cb -0.71 -2.23 1.08 0.00 0.02 0.00 0.00 46.19 44.35 1wg6 s LEU 80 CO 0.50 -0.74 1.64 2.30 0.02 0.00 0.00 176.35 180.07 1wg6 n ILE 81 N 4.57 0.29 -2.57 -0.59 -5.35 -0.54 -4.16 119.36 111.01 1wg6 n ILE 81 Ca 0.05 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 1wg6 n ILE 81 Cb 0.45 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 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 -1.22 0.00 -3.39 -1.28 0.00 -1.24 -3.75 120.51 109.63 1wg6 n ALA 82 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1wg6 n ALA 82 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.80 -0.09 -2.00 0.00 0.11 0.36 -3.45 120.40 112.52 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 4.07 -5.40 0.00 3.54 2.85 -0.25 0.23 115.26 120.31 1wg6 n ASN 84 Ca -0.11 0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1wg6 n ASN 84 Cb 0.56 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 37.01 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 -0.49 0.71 3.74 8.20 0.00 -1.26 -4.94 105.19 111.15 1wg6 n GLY 85 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.76 4.33 0.63 1.61 2.12 0.14 -5.06 118.70 121.71 1wg6 s GLU 86 Ca 0.00 0.60 -0.15 0.00 0.36 0.00 0.00 54.97 55.78 1wg6 s GLU 86 Cb 0.00 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1wg6 s GLU 86 CO 0.00 0.22 1.08 -0.08 -0.54 0.00 0.00 175.26 175.94 1wg6 s THR 87 N 0.35 3.61 0.00 -1.70 -1.32 -1.26 0.13 115.64 115.45 1wg6 s THR 87 Ca 0.29 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 61.49 1wg6 s THR 87 Cb -0.16 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1wg6 s THR 87 CO 0.14 -0.49 0.00 0.18 -2.21 0.00 0.00 174.62 172.24 1wg6 n LEU 88 N -2.34 1.49 -0.27 9.08 4.77 -1.25 -4.67 117.00 123.82 1wg6 n LEU 88 Ca 0.09 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1wg6 n LEU 88 Cb 0.53 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.82 1wg6 n LEU 88 CO 0.48 0.21 1.03 -0.07 -1.33 0.00 0.00 177.39 177.72 1wg6 h LEU 89 N 0.00 0.33 -1.79 2.23 3.38 -1.77 0.47 115.31 118.16 1wg6 h LEU 89 Ca 0.00 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1wg6 h LEU 89 Cb 0.80 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1wg6 h LEU 89 CO 0.00 0.12 0.34 1.23 0.09 0.00 0.00 178.44 180.22 1wg6 h GLY 90 N 0.48 0.34 0.00 0.83 0.00 -1.92 -3.42 103.07 99.38 1wg6 h GLY 90 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1wg6 h GLY 90 CO -0.40 0.06 0.00 0.28 0.00 0.00 0.00 176.54 176.48 1wg6 n LYS 91 N -4.45 2.19 -2.33 4.80 5.02 0.16 -5.12 118.16 118.43 1wg6 n LYS 91 Ca 0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.30 1wg6 n LYS 91 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 1.84 0.13 4.39 7.64 -1.26 -4.88 113.62 121.48 1wg6 n SER 92 Ca 0.00 -1.49 -0.01 0.00 1.01 0.00 0.00 58.87 58.38 1wg6 n SER 92 Cb 0.00 0.03 0.26 0.00 -1.01 0.00 0.00 64.21 63.49 1wg6 n SER 92 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1wg6 h ASN 93 N 0.22 0.14 0.00 6.43 -0.73 -1.90 -1.50 115.58 118.24 1wg6 h ASN 93 Ca -0.09 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.02 1wg6 h ASN 93 Cb 0.31 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1wg6 h ASN 93 CO 0.15 0.56 -0.00 1.12 -0.37 0.00 0.00 177.43 178.88 1wg6 h HIS 94 N 0.11 -0.00 -0.55 0.67 2.07 -1.98 -3.16 115.15 112.31 1wg6 h HIS 94 Ca 0.01 -0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.58 1wg6 h HIS 94 Cb 0.80 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.71 1wg6 h HIS 94 CO 0.01 -0.00 -0.42 0.93 -3.07 0.00 0.00 177.93 175.38 1wg6 h GLU 95 N -0.23 -0.11 0.00 5.12 5.08 -1.96 0.85 114.58 123.33 1wg6 h GLU 95 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wg6 h GLU 95 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wg6 h GLU 95 CO 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1wg6 n ALA 96 N -3.10 0.00 -0.29 3.43 0.00 -0.56 0.17 120.51 120.16 1wg6 n ALA 96 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1wg6 n ALA 96 Cb 0.21 0.44 0.26 0.00 0.00 0.00 0.00 19.45 20.35 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 0.21 -0.24 0.00 2.86 -1.37 1.11 114.93 117.51 1wg6 h MET 97 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1wg6 h MET 97 Cb 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1wg6 h MET 97 CO 0.00 0.14 0.14 1.05 1.06 0.00 0.00 176.91 179.30 1wg6 h GLU 98 N 0.22 0.31 -0.12 1.72 -0.00 0.41 -1.59 114.58 115.54 1wg6 h GLU 98 Ca 0.51 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.36 59.63 1wg6 h GLU 98 Cb 0.99 -0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.68 1wg6 h GLU 98 CO -0.63 0.22 -0.79 1.15 -0.00 0.00 0.00 179.01 178.96 1wg6 h THR 99 N 0.32 1.31 0.00 -1.06 2.02 1.02 -3.03 112.91 113.49 1wg6 h THR 99 Ca 0.09 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1wg6 h THR 99 Cb -0.01 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1wg6 h THR 99 CO -0.02 0.64 0.00 -0.11 0.37 0.00 0.00 175.52 176.40 1wg6 n LEU 100 N -3.90 0.00 0.08 2.58 7.94 0.08 0.19 117.00 123.97 1wg6 n LEU 100 Ca -0.07 0.92 0.19 0.00 -1.11 0.00 0.00 56.01 55.94 1wg6 n LEU 100 Cb 0.75 -0.42 0.59 0.00 0.53 0.00 0.00 43.42 44.87 1wg6 n LEU 100 CO 0.52 -0.42 1.17 0.08 -1.11 0.00 0.00 177.39 177.63 1wg6 h ARG 101 N 0.00 0.00 0.09 1.96 0.11 -1.64 0.15 114.38 115.05 1wg6 h ARG 101 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 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 -0.04 -0.09 0.10 0.00 0.00 179.97 179.94 1wg6 h ARG 102 N 0.00 -0.11 0.00 0.08 2.43 -0.75 -3.24 114.38 112.78 1wg6 h ARG 102 Ca 0.22 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1wg6 h ARG 102 Cb 1.63 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 1wg6 h ARG 102 CO -0.00 0.03 0.05 0.43 -1.51 0.00 0.00 179.97 178.97 1wg6 n SER 103 N -4.84 0.45 0.18 -3.80 7.64 0.49 0.24 113.62 113.99 1wg6 n SER 103 Ca -0.03 0.69 -0.12 0.00 1.01 0.00 0.00 58.87 60.43 1wg6 n SER 103 Cb 0.09 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.49 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 -0.48 0.01 1.43 2.86 -0.84 -1.52 114.93 116.39 1wg6 h MET 104 Ca 0.00 0.03 -0.36 0.00 -2.06 0.00 0.00 59.70 57.31 1wg6 h MET 104 Cb 0.11 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1wg6 h MET 104 CO 0.00 -0.17 -2.27 0.43 1.06 0.00 0.00 176.91 175.96 1wg6 n SER 105 N -5.14 0.79 0.13 1.22 7.64 -0.80 -2.41 113.62 115.05 1wg6 n SER 105 Ca -0.09 0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.71 1wg6 n SER 105 Cb 0.28 0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.35 0.00 1.43 -1.53 0.30 0.51 114.93 115.30 1wg6 h MET 106 Ca -0.50 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 55.78 1wg6 h MET 106 Cb 2.11 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 33.24 1wg6 h MET 106 CO 0.01 -0.01 -0.48 0.93 0.14 0.00 0.00 176.91 177.51 1wg6 h GLU 107 N -0.78 0.00 -0.00 0.39 4.39 -1.39 -3.23 114.58 113.96 1wg6 h GLU 107 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wg6 h GLU 107 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1wg6 h GLU 107 CO 0.06 0.00 -0.58 0.41 -1.16 0.00 0.00 179.01 177.74 1wg6 n GLY 108 N 1.22 -0.94 0.11 -3.84 0.00 -0.62 -2.77 105.19 98.35 1wg6 n GLY 108 Ca 0.03 -0.45 -0.13 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 0.47 0.26 0.52 1.61 2.35 0.02 1.48 115.58 122.30 1wg6 h ASN 109 Ca 0.00 -0.41 -0.29 0.00 -0.55 0.00 0.00 56.30 55.05 1wg6 h ASN 109 Cb 0.53 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1wg6 h ASN 109 CO 0.00 0.62 -1.60 0.16 -1.65 0.00 0.00 177.43 174.96 1wg6 h ILE 110 N -0.09 1.02 0.00 2.81 -2.65 -1.73 -3.39 117.51 113.47 1wg6 h ILE 110 Ca 0.03 -2.79 0.00 0.00 1.03 0.00 0.00 64.86 63.13 1wg6 h ILE 110 Cb 0.52 2.57 0.00 0.00 -2.05 0.00 0.00 36.82 37.86 1wg6 h ILE 110 CO 0.02 0.68 -0.04 0.03 0.03 0.00 0.00 178.15 178.87 1wg6 h ARG 111 N 0.02 0.00 0.00 0.16 3.08 -1.56 -3.49 114.38 112.60 1wg6 h ARG 111 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1wg6 h ARG 111 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1wg6 h ARG 111 CO 0.11 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 1wg6 n GLY 112 N 1.82 1.41 1.64 0.04 0.00 0.51 -5.01 105.19 105.61 1wg6 n GLY 112 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.87 0.28 -3.94 1.61 0.00 -1.24 -1.38 117.12 111.58 1wg6 n MET 113 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 57.70 56.98 1wg6 n MET 113 Cb 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 33.22 33.98 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 -2.35 0.14 0.09 3.17 2.07 0.16 -3.76 121.20 120.71 1wg6 s ILE 114 Ca 0.10 -1.12 0.10 0.00 -1.41 0.00 0.00 60.65 58.32 1wg6 s ILE 114 Cb -0.01 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1wg6 s ILE 114 CO 0.02 -0.61 -0.27 -1.58 -1.91 0.00 0.00 174.94 170.59 1wg6 s GLN 115 N -2.60 1.57 -0.15 3.50 0.74 -1.26 -0.10 119.66 121.36 1wg6 s GLN 115 Ca -0.05 -1.24 0.00 0.00 0.05 0.00 0.00 55.36 54.12 1wg6 s GLN 115 Cb -0.01 -1.93 0.03 0.00 1.10 0.00 0.00 33.01 32.20 1wg6 s GLN 115 CO -0.05 0.48 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.55 1wg6 s LEU 116 N -1.69 1.63 -0.33 3.68 1.43 0.50 -1.09 118.68 122.82 1wg6 s LEU 116 Ca 0.13 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1wg6 s LEU 116 Cb -0.10 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1wg6 s LEU 116 CO 0.04 -0.10 0.18 -0.69 0.23 0.00 0.00 176.35 176.01 1wg6 s VAL 117 N 1.55 4.78 0.29 -1.59 1.01 -1.22 -1.93 120.40 123.28 1wg6 s VAL 117 Ca 0.04 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1wg6 s VAL 117 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1wg6 s VAL 117 CO -0.09 0.01 0.14 0.27 0.00 0.00 0.00 175.10 175.43 1wg6 s ILE 118 N 1.63 3.71 -0.07 2.22 -5.25 -1.13 -1.46 121.20 120.85 1wg6 s ILE 118 Ca 0.05 -1.60 0.03 0.00 -0.99 0.00 0.00 60.65 58.14 1wg6 s ILE 118 Cb -0.17 -3.12 0.01 0.00 2.95 0.00 0.00 42.46 42.12 1wg6 s ILE 118 CO 0.07 -0.29 -0.17 -0.22 -1.79 0.00 0.00 174.94 172.54 1wg6 s LEU 119 N -3.82 1.84 -0.00 0.37 1.98 -1.24 -3.05 118.68 114.74 1wg6 s LEU 119 Ca 0.35 -0.39 0.04 0.00 -2.89 0.00 0.00 54.13 51.24 1wg6 s LEU 119 Cb -0.06 -1.04 -0.01 0.00 0.66 0.00 0.00 46.19 45.74 1wg6 s LEU 119 CO 0.23 0.10 -0.14 -0.60 -1.89 0.00 0.00 176.35 174.05 1wg6 s ARG 120 N 0.44 1.12 0.51 1.98 3.52 -0.73 -4.74 118.95 121.05 1wg6 s ARG 120 Ca -0.14 -0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 54.87 1wg6 s ARG 120 Cb -0.16 -1.09 -0.01 0.00 -1.56 0.00 0.00 34.95 32.13 1wg6 s ARG 120 CO 0.05 0.29 0.79 1.03 -0.81 0.00 0.00 175.30 176.66 1wg6 s ARG 121 N -0.46 3.21 0.11 5.12 1.81 -1.26 -2.10 118.95 125.38 1wg6 s ARG 121 Ca 0.05 -0.05 -0.29 0.00 -1.72 0.00 0.00 55.73 53.72 1wg6 s ARG 121 Cb -0.06 -2.39 -0.10 0.00 -0.45 0.00 0.00 34.95 31.95 1wg6 s ARG 121 CO -0.00 -0.38 1.61 1.03 -0.68 0.00 0.00 175.30 176.89 1wg6 h SER 122 N 0.15 -0.95 0.00 0.23 0.87 -1.97 -3.47 113.55 108.40 1wg6 h SER 122 Ca -0.46 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1wg6 h SER 122 Cb 1.23 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1wg6 h SER 122 CO 0.60 -0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 1wg6 n GLY 123 N -1.43 5.46 0.13 5.77 0.00 -1.26 -5.04 105.19 108.82 1wg6 n GLY 123 Ca -0.08 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 1wg6 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg6 h PRO 124 N 0.00 0.18 -5.08 1.61 0.13 -2.05 -3.49 132.00 123.29 1wg6 h PRO 124 Ca 0.00 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1wg6 h PRO 124 Cb 0.00 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.10 1wg6 h PRO 124 CO 0.00 0.89 -1.15 0.45 -0.23 0.00 0.00 178.00 177.96 1wg6 n SER 125 N -3.70 -3.28 -3.89 1.44 2.88 -1.26 -5.02 113.62 100.78 1wg6 n SER 125 Ca -0.03 1.38 -0.23 0.00 -1.33 0.00 0.00 58.87 58.67 1wg6 n SER 125 Cb 0.76 -4.48 -0.17 0.00 -0.75 0.00 0.00 64.21 59.57 1wg6 n SER 125 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg6 s SER 126 N -0.51 1.45 0.00 -3.46 0.01 -1.26 -5.21 113.70 104.72 1wg6 s SER 126 Ca -0.17 -0.18 0.17 0.00 1.31 0.00 0.00 55.95 57.08 1wg6 s SER 126 Cb 0.01 -0.58 0.14 0.00 0.21 0.00 0.00 66.02 65.80 1wg6 s SER 126 CO 0.47 -0.08 1.05 0.61 0.41 0.00 0.00 173.24 175.70