#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 s SER 2 N 0.00 2.46 0.20 1.61 0.15 -1.26 -5.17 113.70 111.70 1wg6 s SER 2 Ca 0.00 -1.37 -0.20 0.00 0.70 0.00 0.00 55.95 55.08 1wg6 s SER 2 Cb 0.00 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1wg6 s SER 2 CO 0.00 -0.59 0.59 -0.44 1.20 0.00 0.00 173.24 174.00 1wg6 s SER 3 N -3.50 -0.37 0.05 5.45 0.01 -1.26 -5.19 113.70 108.90 1wg6 s SER 3 Ca 0.36 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 1wg6 s SER 3 Cb 0.09 0.62 0.01 0.00 0.21 0.00 0.00 66.02 66.94 1wg6 s SER 3 CO 0.15 -1.08 0.10 0.61 0.41 0.00 0.00 173.24 173.43 1wg6 n GLY 4 N -0.38 2.04 3.28 3.44 0.00 -1.26 -5.19 105.19 107.13 1wg6 n GLY 4 Ca -0.11 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.27 1.37 -0.28 1.61 0.15 -1.26 -5.16 113.70 108.86 1wg6 s SER 5 Ca 0.02 -1.22 -0.21 0.00 0.70 0.00 0.00 55.95 55.25 1wg6 s SER 5 Cb -0.01 0.10 0.10 0.00 -1.71 0.00 0.00 66.02 64.51 1wg6 s SER 5 CO 0.02 -0.58 0.85 -0.44 1.20 0.00 0.00 173.24 174.29 1wg6 s SER 6 N -3.23 -0.67 -0.10 5.45 0.01 -1.26 -5.07 113.70 108.83 1wg6 s SER 6 Ca 0.27 1.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.69 1wg6 s SER 6 Cb 0.06 1.23 0.01 0.00 0.21 0.00 0.00 66.02 67.53 1wg6 s SER 6 CO 0.07 -0.19 0.04 0.61 0.41 0.00 0.00 173.24 174.18 1wg6 n GLY 7 N 3.22 -3.62 0.48 3.44 0.00 -1.26 -5.06 105.19 102.39 1wg6 n GLY 7 Ca -0.16 0.23 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1wg6 n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wg6 n LEU 8 N 0.45 1.03 0.00 0.99 -0.00 -1.26 -4.87 117.00 113.34 1wg6 n LEU 8 Ca -0.07 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1wg6 n LEU 8 Cb 0.11 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1wg6 n LEU 8 CO 0.17 -0.49 0.29 1.17 -0.00 0.00 0.00 177.39 178.53 1wg6 n LYS 9 N -3.51 0.00 0.00 1.96 3.00 -1.26 -5.05 118.16 113.30 1wg6 n LYS 9 Ca -0.05 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1wg6 n LYS 9 Cb 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.94 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wg6 n GLY 10 N 0.27 0.21 3.08 3.14 0.00 -1.26 -5.09 105.19 105.54 1wg6 n GLY 10 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -1.22 -0.93 1.61 4.71 -1.26 -4.68 120.64 118.87 1wg6 n GLU 11 Ca 0.00 1.35 -0.25 0.00 -0.01 0.00 0.00 57.16 58.25 1wg6 n GLU 11 Cb 0.00 -2.26 -0.04 0.00 -1.01 0.00 0.00 31.44 28.12 1wg6 n GLU 11 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1wg6 n PRO 12 N 1.05 2.52 -3.25 3.49 -0.04 -1.26 -4.61 135.00 132.90 1wg6 n PRO 12 Ca -0.00 -1.57 -0.26 0.00 -0.04 0.00 0.00 63.50 61.63 1wg6 n PRO 12 Cb 0.38 -2.45 0.03 0.00 -0.04 0.00 0.00 33.50 31.41 1wg6 n PRO 12 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wg6 n ASP 13 N 3.67 -6.47 -0.05 3.54 9.92 -1.26 -4.95 116.55 120.96 1wg6 n ASP 13 Ca 0.54 0.14 -0.08 0.00 -0.53 0.00 0.00 54.79 54.86 1wg6 n ASP 13 Cb 0.28 -3.06 -0.05 0.00 -0.64 0.00 0.00 41.12 37.65 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wg6 n TYR 15 N -2.88 -2.49 -3.61 0.00 9.36 -1.26 -4.54 117.16 111.74 1wg6 n TYR 15 Ca -0.19 1.30 -0.38 0.00 3.32 0.00 0.00 57.90 61.95 1wg6 n TYR 15 Cb 0.70 -2.26 -0.06 0.00 -0.63 0.00 0.00 39.34 37.08 1wg6 n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wg6 s ALA 16 N -2.99 4.12 0.19 2.98 0.00 -1.26 -5.01 121.76 119.78 1wg6 s ALA 16 Ca 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 51.96 48.33 1wg6 s ALA 16 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1wg6 s ALA 16 CO 0.00 -2.15 0.16 1.47 0.00 0.00 0.00 175.76 175.24 1wg6 n LEU 17 N 2.74 0.00 0.00 0.00 -0.00 -1.26 -5.17 117.00 113.31 1wg6 n LEU 17 Ca 0.18 -1.78 0.00 0.00 -0.00 0.00 0.00 56.01 54.41 1wg6 n LEU 17 Cb 0.38 0.97 0.00 0.00 -0.00 0.00 0.00 43.42 44.77 1wg6 n LEU 17 CO 0.36 -0.30 0.00 -1.20 -0.00 0.00 0.00 177.39 176.25 1wg6 n SER 18 N -2.24 0.00 -4.79 1.45 7.64 -1.26 -5.17 113.62 109.25 1wg6 n SER 18 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.63 1wg6 n SER 18 Cb 0.34 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 1wg6 n SER 18 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wg6 s LEU 19 N 0.00 3.85 0.36 -3.43 1.02 -1.26 -5.11 118.68 114.11 1wg6 s LEU 19 Ca 0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 54.13 54.07 1wg6 s LEU 19 Cb 0.00 -2.50 -0.05 0.00 0.02 0.00 0.00 46.19 43.66 1wg6 s LEU 19 CO 0.00 0.14 0.65 -1.83 0.02 0.00 0.00 176.35 175.33 1wg6 s GLU 20 N -2.60 3.63 -0.91 1.70 1.03 -1.26 -5.03 118.70 115.25 1wg6 s GLU 20 Ca 0.30 0.11 -0.08 0.00 0.03 0.00 0.00 54.97 55.34 1wg6 s GLU 20 Cb -0.12 -2.53 0.23 0.00 -0.80 0.00 0.00 34.13 30.91 1wg6 s GLU 20 CO 0.23 0.06 0.84 -1.54 -1.33 0.00 0.00 175.26 173.53 1wg6 s SER 21 N -3.46 6.55 0.31 0.83 1.04 -1.26 -5.03 113.70 112.69 1wg6 s SER 21 Ca 0.46 -3.28 0.09 0.00 0.48 0.00 0.00 55.95 53.69 1wg6 s SER 21 Cb -0.10 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1wg6 s SER 21 CO 0.34 -0.35 0.08 -0.44 0.98 0.00 0.00 173.24 173.85 1wg6 s SER 22 N 1.10 4.61 -0.20 7.02 0.01 -1.26 -5.05 113.70 119.93 1wg6 s SER 22 Ca 0.25 -0.74 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 1wg6 s SER 22 Cb -0.11 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1wg6 s SER 22 CO -0.09 -0.18 0.11 -1.61 0.41 0.00 0.00 173.24 171.88 1wg6 s GLU 23 N -3.78 4.11 -0.03 12.44 2.02 -0.44 -4.97 118.70 128.05 1wg6 s GLU 23 Ca 0.35 -0.27 0.06 0.00 0.02 0.00 0.00 54.97 55.14 1wg6 s GLU 23 Cb -0.04 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 1wg6 s GLU 23 CO 0.21 0.26 -0.22 -1.14 0.02 0.00 0.00 175.26 174.40 1wg6 s GLN 24 N 0.44 1.86 -0.20 1.61 -0.44 -1.26 0.15 119.66 121.83 1wg6 s GLN 24 Ca 0.06 -0.77 0.01 0.00 -2.50 0.00 0.00 55.36 52.16 1wg6 s GLN 24 Cb -0.12 -1.74 0.04 0.00 -1.64 0.00 0.00 33.01 29.55 1wg6 s GLN 24 CO -0.01 0.43 -0.12 -0.51 0.50 0.00 0.00 175.29 175.58 1wg6 s LEU 25 N -0.39 2.39 -0.38 3.68 1.43 0.26 -4.97 118.68 120.69 1wg6 s LEU 25 Ca 0.05 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 1wg6 s LEU 25 Cb -0.09 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1wg6 s LEU 25 CO 0.00 -0.13 0.31 -0.89 0.23 0.00 0.00 176.35 175.87 1wg6 s THR 26 N 1.35 5.23 -0.07 5.49 2.01 -1.26 -1.66 115.64 126.73 1wg6 s THR 26 Ca -0.01 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1wg6 s THR 26 Cb -0.16 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1wg6 s THR 26 CO -0.09 -0.22 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.75 1wg6 s LEU 27 N 1.79 2.86 -0.17 4.42 2.01 -0.46 -4.96 118.68 124.17 1wg6 s LEU 27 Ca 0.07 -0.17 -0.01 0.00 0.01 0.00 0.00 54.13 54.02 1wg6 s LEU 27 Cb -0.18 -1.61 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 1wg6 s LEU 27 CO 0.11 0.31 -0.11 -1.61 1.01 0.00 0.00 176.35 176.07 1wg6 s GLU 28 N -0.53 3.33 -0.14 1.70 2.02 -1.26 -0.21 118.70 123.61 1wg6 s GLU 28 Ca 0.07 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1wg6 s GLU 28 Cb -0.12 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1wg6 s GLU 28 CO 0.02 -0.01 -0.15 0.42 0.02 0.00 0.00 175.26 175.56 1wg6 s ILE 29 N 0.92 2.79 0.36 -1.63 1.01 0.13 -4.98 121.20 119.80 1wg6 s ILE 29 Ca -0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1wg6 s ILE 29 Cb -0.15 -2.17 -0.09 0.00 0.01 0.00 0.00 42.46 40.06 1wg6 s ILE 29 CO -0.00 0.52 1.06 -2.16 0.00 0.00 0.00 174.94 174.36 1wg6 s PRO 30 N 0.61 4.33 -0.27 2.79 0.04 -1.26 0.17 135.00 141.41 1wg6 s PRO 30 Ca -0.08 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.65 1wg6 s PRO 30 Cb -0.16 -2.77 0.45 0.00 0.04 0.00 0.00 34.50 32.06 1wg6 s PRO 30 CO 0.03 -0.01 1.24 1.28 0.04 0.00 0.00 177.00 179.58 1wg6 n LEU 31 N 0.38 4.19 0.27 -3.56 4.77 0.03 -4.60 117.00 118.48 1wg6 n LEU 31 Ca 0.03 -4.39 -0.11 0.00 -0.03 0.00 0.00 56.01 51.51 1wg6 n LEU 31 Cb 0.48 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1wg6 n LEU 31 CO 0.48 1.80 0.38 0.78 -1.33 0.00 0.00 177.39 179.50 1wg6 h ASN 32 N 1.69 -0.60 0.20 -1.43 2.35 -1.93 -0.25 115.58 115.62 1wg6 h ASN 32 Ca 0.24 0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.73 1wg6 h ASN 32 Cb 1.34 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.81 1wg6 h ASN 32 CO 0.50 -0.32 -2.06 -0.67 -1.65 0.00 0.00 177.43 173.22 1wg6 n ASP 33 N -4.46 0.31 0.10 5.81 -0.08 -1.26 -4.16 116.55 112.81 1wg6 n ASP 33 Ca -0.09 0.14 -0.04 0.00 -1.51 0.00 0.00 54.79 53.29 1wg6 n ASP 33 Cb 0.28 0.77 0.03 0.00 2.34 0.00 0.00 41.12 44.54 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 0.00 0.04 -1.19 1.67 0.87 -1.81 -3.19 113.55 109.94 1wg6 h SER 34 Ca -0.38 -0.03 0.35 0.00 -1.23 0.00 0.00 61.79 60.50 1wg6 h SER 34 Cb 1.97 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 63.82 1wg6 h SER 34 CO 0.04 0.82 0.78 1.23 -0.53 0.00 0.00 176.83 179.17 1wg6 h GLY 35 N 2.29 1.03 -0.05 5.77 0.00 -1.19 1.51 103.07 112.43 1wg6 h GLY 35 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1wg6 h GLY 35 CO 0.11 -0.21 -0.03 -1.14 0.00 0.00 0.00 176.54 175.27 1wg6 n SER 36 N -4.56 -0.05 0.02 0.19 3.41 -1.20 -1.83 113.62 109.59 1wg6 n SER 36 Ca 0.30 1.00 0.11 0.00 -0.26 0.00 0.00 58.87 60.02 1wg6 n SER 36 Cb 1.16 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 64.69 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wg6 n ALA 37 N -2.98 3.65 0.00 7.33 0.00 -0.81 -5.07 120.51 122.63 1wg6 n ALA 37 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1wg6 n ALA 37 Cb 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.41 -1.41 0.13 0.00 0.00 0.51 -4.75 105.19 101.08 1wg6 n GLY 38 Ca 0.03 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 1wg6 n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wg6 h LEU 39 N 0.00 -0.65 0.00 0.99 3.38 -1.89 -3.38 115.31 113.75 1wg6 h LEU 39 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wg6 h LEU 39 Cb 0.00 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wg6 h LEU 39 CO 0.00 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1wg6 n GLY 40 N -1.08 1.59 3.39 0.83 0.00 -1.26 -4.02 105.19 104.64 1wg6 n GLY 40 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 2.06 -0.04 1.61 -7.23 -1.26 -4.22 120.40 109.32 1wg6 s VAL 41 Ca 0.00 -2.23 0.06 0.00 -1.81 0.00 0.00 61.98 58.00 1wg6 s VAL 41 Cb 0.00 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1wg6 s VAL 41 CO 0.00 -0.45 -0.21 -0.55 -0.31 0.00 0.00 175.10 173.58 1wg6 s SER 42 N -3.24 2.55 0.28 4.85 0.15 -1.26 -5.07 113.70 111.95 1wg6 s SER 42 Ca 0.24 -0.41 0.11 0.00 0.70 0.00 0.00 55.95 56.60 1wg6 s SER 42 Cb -0.04 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.70 1wg6 s SER 42 CO 0.10 0.22 -0.16 -0.76 1.20 0.00 0.00 173.24 173.84 1wg6 s LEU 43 N -0.25 2.70 -0.03 3.45 1.43 -1.26 0.11 118.68 124.82 1wg6 s LEU 43 Ca 0.02 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1wg6 s LEU 43 Cb -0.11 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1wg6 s LEU 43 CO 0.01 0.02 -0.14 -1.59 0.23 0.00 0.00 176.35 174.88 1wg6 s LYS 44 N -3.54 1.41 0.08 1.70 0.00 0.39 -4.73 119.74 115.05 1wg6 s LYS 44 Ca 0.30 -0.50 -0.28 0.00 0.00 0.00 0.00 55.97 55.49 1wg6 s LYS 44 Cb -0.05 -1.27 -0.06 0.00 0.00 0.00 0.00 37.83 36.45 1wg6 s LYS 44 CO 0.16 0.22 0.89 0.20 0.00 0.00 0.00 175.35 176.81 1wg6 s GLY 45 N 0.01 2.92 -0.21 0.59 0.00 -1.26 -1.80 107.32 107.56 1wg6 s GLY 45 Ca -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.15 1wg6 s GLY 45 CO 0.01 1.33 -0.13 -1.31 0.00 0.00 0.00 173.10 173.00 1wg6 s ASN 46 N 0.03 3.73 0.11 1.64 0.01 -1.19 -4.99 114.94 114.27 1wg6 s ASN 46 Ca 0.44 -0.63 0.08 0.00 -0.71 0.00 0.00 52.86 52.04 1wg6 s ASN 46 Cb -0.22 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 1wg6 s ASN 46 CO 0.27 -0.03 -0.13 -0.75 -1.51 0.00 0.00 177.10 174.95 1wg6 s LYS 47 N 1.35 2.02 -0.04 -0.60 2.20 -1.26 -2.44 119.74 120.97 1wg6 s LYS 47 Ca 0.04 -1.07 0.05 0.00 -0.36 0.00 0.00 55.97 54.63 1wg6 s LYS 47 Cb -0.14 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 1wg6 s LYS 47 CO -0.08 0.50 -0.17 -1.12 -0.36 0.00 0.00 175.35 174.11 1wg6 s SER 48 N -2.18 3.80 -0.00 1.43 0.01 -0.94 -4.95 113.70 110.87 1wg6 s SER 48 Ca 0.20 -0.27 0.17 0.00 1.31 0.00 0.00 55.95 57.36 1wg6 s SER 48 Cb -0.11 -0.72 -0.18 0.00 0.21 0.00 0.00 66.02 65.22 1wg6 s SER 48 CO 0.13 0.33 0.66 0.54 0.41 0.00 0.00 173.24 175.31 1wg6 n ARG 49 N 2.28 0.63 -0.19 12.44 1.74 -1.26 -0.99 116.66 131.31 1wg6 n ARG 49 Ca -0.17 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 1wg6 n ARG 49 Cb 0.52 -1.75 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1wg6 n ARG 49 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1wg6 h GLU 50 N 0.00 0.55 -0.00 5.56 4.39 -1.96 -2.95 114.58 120.16 1wg6 h GLU 50 Ca -0.23 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1wg6 h GLU 50 Cb 1.72 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1wg6 h GLU 50 CO 0.05 0.36 -0.56 0.25 -1.16 0.00 0.00 179.01 177.96 1wg6 n THR 51 N -4.84 0.00 -2.30 1.13 -2.24 -1.26 -4.98 114.28 99.79 1wg6 n THR 51 Ca 0.05 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 1wg6 n THR 51 Cb 0.14 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.27 -0.22 3.75 3.38 0.00 -0.16 -4.96 105.19 108.25 1wg6 n GLY 52 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.85 2.42 -0.40 2.61 2.01 -1.11 -4.94 115.64 113.39 1wg6 s THR 53 Ca 0.00 -1.66 -0.17 0.00 0.31 0.00 0.00 61.69 60.17 1wg6 s THR 53 Cb 0.00 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1wg6 s THR 53 CO 0.00 -0.02 0.44 -1.81 -0.69 0.00 0.00 174.62 172.54 1wg6 s ASP 54 N -3.93 6.21 0.27 3.53 1.01 -1.26 -2.20 116.67 120.30 1wg6 s ASP 54 Ca 0.42 -0.51 -0.03 0.00 0.71 0.00 0.00 52.55 53.13 1wg6 s ASP 54 Cb 0.02 -2.23 0.37 0.00 1.01 0.00 0.00 42.92 42.10 1wg6 s ASP 54 CO 0.23 -0.53 1.92 -0.07 0.21 0.00 0.00 175.17 176.94 1wg6 h LEU 55 N 9.02 1.05 0.00 1.23 3.38 -1.85 -3.49 115.31 124.66 1wg6 h LEU 55 Ca -0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1wg6 h LEU 55 Cb 1.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1wg6 h LEU 55 CO 0.77 0.73 0.00 0.61 0.09 0.00 0.00 178.44 180.64 1wg6 n GLY 56 N -1.38 0.65 3.76 0.83 0.00 -1.24 -5.00 105.19 102.81 1wg6 n GLY 56 Ca 0.13 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.45 4.34 -0.06 -0.61 -1.09 -1.26 -3.20 121.20 115.87 1wg6 s ILE 57 Ca 0.00 -1.06 -0.08 0.00 -2.23 0.00 0.00 60.65 57.28 1wg6 s ILE 57 Cb 0.00 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1wg6 s ILE 57 CO 0.00 -0.04 0.21 -0.36 -1.23 0.00 0.00 174.94 173.52 1wg6 s PHE 58 N -1.63 -0.17 0.54 3.97 0.40 -0.75 -2.97 117.98 117.37 1wg6 s PHE 58 Ca 0.30 0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 56.81 1wg6 s PHE 58 Cb -0.11 0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.42 1wg6 s PHE 58 CO 0.22 -0.17 1.30 -0.89 0.70 0.00 0.00 175.22 176.38 1wg6 n ILE 59 N 2.49 3.69 -0.12 0.64 5.41 -1.07 0.15 119.36 130.55 1wg6 n ILE 59 Ca -0.16 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 62.84 1wg6 n ILE 59 Cb 0.58 -1.59 -0.08 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.90 0.51 0.00 0.38 4.81 0.12 -2.49 118.16 120.58 1wg6 n LYS 60 Ca 0.10 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1wg6 n LYS 60 Cb 0.44 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1wg6 n SER 61 N -4.11 0.00 -4.73 3.14 3.41 -1.19 -4.85 113.62 105.31 1wg6 n SER 61 Ca -0.46 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.74 1wg6 n SER 61 Cb 0.82 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 1wg6 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wg6 s ILE 62 N 0.00 3.34 -0.71 -1.33 1.09 -1.26 -4.10 121.20 118.23 1wg6 s ILE 62 Ca 0.00 1.04 -0.25 0.00 -1.10 0.00 0.00 60.65 60.33 1wg6 s ILE 62 Cb 0.00 -3.66 0.05 0.00 -1.06 0.00 0.00 42.46 37.78 1wg6 s ILE 62 CO 0.00 0.12 1.16 -0.63 -0.10 0.00 0.00 174.94 175.50 1wg6 s ILE 63 N 0.52 3.95 1.18 2.92 1.09 -1.26 -4.94 121.20 124.66 1wg6 s ILE 63 Ca 0.59 0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 60.12 1wg6 s ILE 63 Cb -0.36 -4.83 0.29 0.00 -1.06 0.00 0.00 42.46 36.50 1wg6 s ILE 63 CO 0.35 -1.71 1.02 -2.28 -0.10 0.00 0.00 174.94 172.22 1wg6 s HIS 64 N 5.10 1.34 -1.51 3.97 5.65 -1.26 -3.06 115.29 125.52 1wg6 s HIS 64 Ca 0.30 1.11 0.00 0.00 0.25 0.00 0.00 55.06 56.72 1wg6 s HIS 64 Cb -0.11 -3.10 0.00 0.00 -1.18 0.00 0.00 32.58 28.19 1wg6 s HIS 64 CO 0.13 -3.91 0.00 0.41 -0.65 0.00 0.00 174.74 170.71 1wg6 n GLY 65 N 0.69 0.57 0.00 1.59 0.00 -1.26 -4.87 105.19 101.91 1wg6 n GLY 65 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.57 5.31 0.06 -0.02 0.00 -1.17 -5.05 105.19 103.75 1wg6 n GLY 66 Ca -0.17 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 1wg6 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg6 n ALA 67 N -3.00 0.41 -0.28 4.61 0.00 -1.26 -4.25 120.51 116.74 1wg6 n ALA 67 Ca 0.00 -0.42 0.25 0.00 0.00 0.00 0.00 53.44 53.27 1wg6 n ALA 67 Cb 0.00 0.01 0.58 0.00 0.00 0.00 0.00 19.45 20.04 1wg6 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wg6 h ALA 68 N -1.21 2.45 -0.78 0.00 0.00 -1.81 -0.62 119.26 117.28 1wg6 h ALA 68 Ca 0.00 0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.25 1wg6 h ALA 68 Cb 0.47 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 1wg6 h ALA 68 CO 0.00 -0.80 0.44 0.34 0.00 0.00 0.00 179.25 179.23 1wg6 n PHE 69 N -4.48 0.81 0.00 0.00 7.35 -1.23 0.20 117.46 120.12 1wg6 n PHE 69 Ca 0.23 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.74 1wg6 n PHE 69 Cb 0.90 -1.24 0.00 0.00 0.35 0.00 0.00 39.48 39.49 1wg6 n PHE 69 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1wg6 n LYS 70 N -4.60 0.00 0.08 -4.13 5.02 -0.24 -1.80 118.16 112.49 1wg6 n LYS 70 Ca 0.28 0.53 0.09 0.00 -2.02 0.00 0.00 58.31 57.18 1wg6 n LYS 70 Cb 0.99 -1.39 0.38 0.00 -0.02 0.00 0.00 35.03 34.99 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 -1.91 0.35 -0.19 4.39 2.03 0.66 -3.03 116.55 118.84 1wg6 n ASP 71 Ca 0.00 0.61 0.28 0.00 0.52 0.00 0.00 54.79 56.19 1wg6 n ASP 71 Cb 0.00 -0.67 0.48 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.68 0.00 -1.60 0.27 0.00 0.31 0.59 103.07 104.32 1wg6 h GLY 72 Ca 0.00 0.00 0.46 0.00 0.00 0.00 0.00 47.33 47.79 1wg6 h GLY 72 CO 0.00 0.00 1.27 -0.96 0.00 0.00 0.00 176.54 176.85 1wg6 n ARG 73 N -3.31 0.00 -0.43 4.80 1.85 -1.17 -4.38 116.66 114.03 1wg6 n ARG 73 Ca 0.22 0.99 -0.29 0.00 -1.00 0.00 0.00 57.85 57.77 1wg6 n ARG 73 Cb 1.44 -2.33 0.26 0.00 -1.05 0.00 0.00 32.46 30.77 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 -3.59 -1.56 -4.25 2.89 4.77 0.20 -5.01 117.00 110.44 1wg6 n LEU 74 Ca 0.36 -0.39 -0.32 0.00 -0.03 0.00 0.00 56.01 55.63 1wg6 n LEU 74 Cb 1.75 -1.11 -0.16 0.00 -2.33 0.00 0.00 43.42 41.57 1wg6 n LEU 74 CO 0.36 -3.67 -0.53 -0.13 -1.33 0.00 0.00 177.39 172.10 1wg6 s ARG 75 N -4.36 3.13 0.94 3.23 0.52 -1.26 -5.01 118.95 116.14 1wg6 s ARG 75 Ca 0.65 -0.82 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 1wg6 s ARG 75 Cb -0.19 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1wg6 s ARG 75 CO 0.62 0.16 -0.39 -1.33 0.02 0.00 0.00 175.30 174.37 1wg6 n MET 76 N 3.62 -1.01 -2.74 3.54 2.81 -1.26 -3.86 117.12 118.22 1wg6 n MET 76 Ca -0.19 -0.30 -0.13 0.00 -1.81 0.00 0.00 57.70 55.27 1wg6 n MET 76 Cb 0.53 -1.29 0.02 0.00 -0.71 0.00 0.00 33.22 31.77 1wg6 n MET 76 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wg6 n ASN 77 N 0.89 -4.28 -4.63 7.83 3.02 -1.04 -4.89 115.26 112.15 1wg6 n ASN 77 Ca 0.01 -0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.01 1wg6 n ASN 77 Cb 0.47 -3.14 -0.10 0.00 -0.61 0.00 0.00 39.78 36.41 1wg6 n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wg6 s ASP 78 N -2.85 6.15 -0.38 6.41 2.15 -1.25 -4.80 116.67 122.11 1wg6 s ASP 78 Ca 0.19 0.16 -0.28 0.00 0.43 0.00 0.00 52.55 53.05 1wg6 s ASP 78 Cb -0.08 -2.14 0.02 0.00 -0.30 0.00 0.00 42.92 40.41 1wg6 s ASP 78 CO 0.24 -0.03 1.03 -1.58 -0.17 0.00 0.00 175.17 174.66 1wg6 s GLN 79 N 1.45 3.89 -0.46 4.34 0.74 -1.26 -2.60 119.66 125.76 1wg6 s GLN 79 Ca 0.10 0.75 -0.28 0.00 0.05 0.00 0.00 55.36 55.98 1wg6 s GLN 79 Cb -0.15 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.15 1wg6 s GLN 79 CO 0.08 -1.03 1.69 -0.51 -0.55 0.00 0.00 175.29 174.96 1wg6 s LEU 80 N 3.77 3.44 0.00 3.68 1.02 -1.16 -3.93 118.68 125.50 1wg6 s LEU 80 Ca 0.43 0.79 0.22 0.00 0.02 0.00 0.00 54.13 55.60 1wg6 s LEU 80 Cb -0.11 -3.17 0.76 0.00 0.02 0.00 0.00 46.19 43.68 1wg6 s LEU 80 CO 0.20 -1.85 1.56 2.30 0.02 0.00 0.00 176.35 178.59 1wg6 n ILE 81 N 7.21 0.19 0.00 -0.59 -5.35 -0.75 -4.28 119.36 115.80 1wg6 n ILE 81 Ca 0.19 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1wg6 n ILE 81 Cb 0.49 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.43 0.00 -3.63 -1.28 0.00 -1.25 -4.28 120.51 110.49 1wg6 n ALA 82 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 1wg6 n ALA 82 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.00 -0.40 -1.60 0.00 0.11 0.25 -2.81 120.40 113.94 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 -5.48 0.00 3.54 2.85 -0.66 0.61 115.26 120.85 1wg6 n ASN 84 Ca -0.16 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1wg6 n ASN 84 Cb 0.55 -4.40 0.00 0.00 1.24 0.00 0.00 39.78 37.17 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 -0.03 1.36 3.75 8.20 0.00 -1.26 -4.95 105.19 112.26 1wg6 n GLY 85 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.88 4.51 0.84 1.61 2.12 0.20 -5.05 118.70 122.05 1wg6 s GLU 86 Ca 0.00 1.09 -0.11 0.00 0.36 0.00 0.00 54.97 56.31 1wg6 s GLU 86 Cb 0.00 -3.35 0.10 0.00 0.26 0.00 0.00 34.13 31.14 1wg6 s GLU 86 CO 0.00 0.32 1.09 -0.08 -0.54 0.00 0.00 175.26 176.05 1wg6 s THR 87 N -0.19 2.94 0.00 -1.70 -1.32 -1.26 0.85 115.64 114.97 1wg6 s THR 87 Ca 0.38 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1wg6 s THR 87 Cb -0.21 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 1wg6 s THR 87 CO 0.24 -0.40 0.00 0.18 -2.21 0.00 0.00 174.62 172.42 1wg6 n LEU 88 N -3.72 0.36 -0.33 9.08 4.77 -1.26 -4.73 117.00 121.17 1wg6 n LEU 88 Ca 0.08 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1wg6 n LEU 88 Cb 0.54 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.00 1wg6 n LEU 88 CO 0.55 -0.16 1.13 -0.07 -1.33 0.00 0.00 177.39 177.51 1wg6 h LEU 89 N 0.00 0.57 -1.77 2.23 3.38 -1.83 1.33 115.31 119.22 1wg6 h LEU 89 Ca 0.00 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1wg6 h LEU 89 Cb 0.34 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wg6 h LEU 89 CO 0.00 0.06 -0.15 1.23 0.09 0.00 0.00 178.44 179.67 1wg6 h GLY 90 N 0.52 0.00 -0.51 0.83 0.00 -1.96 -3.43 103.07 98.52 1wg6 h GLY 90 Ca 0.62 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.77 1wg6 h GLY 90 CO -0.50 0.00 0.06 0.28 0.00 0.00 0.00 176.54 176.39 1wg6 n LYS 91 N -4.11 0.21 -3.57 4.80 5.02 0.45 -5.10 118.16 115.86 1wg6 n LYS 91 Ca -0.02 -1.05 -0.22 0.00 -2.02 0.00 0.00 58.31 55.00 1wg6 n LYS 91 Cb 0.23 -0.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.93 1wg6 n LYS 91 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wg6 s SER 92 N -2.66 4.93 0.28 4.39 0.01 -1.26 -4.82 113.70 114.57 1wg6 s SER 92 Ca 0.27 -0.93 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1wg6 s SER 92 Cb -0.01 -0.09 0.57 0.00 0.21 0.00 0.00 66.02 66.70 1wg6 s SER 92 CO 0.18 -0.93 1.82 0.78 0.41 0.00 0.00 173.24 175.50 1wg6 h ASN 93 N 0.78 0.86 0.00 2.44 4.21 -1.91 0.53 115.58 122.49 1wg6 h ASN 93 Ca -0.38 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.19 1wg6 h ASN 93 Cb 1.28 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1wg6 h ASN 93 CO 0.54 0.43 0.00 1.57 -1.29 0.00 0.00 177.43 178.68 1wg6 n HIS 94 N -4.67 0.00 -0.40 1.19 -0.00 -1.26 -2.52 115.22 107.56 1wg6 n HIS 94 Ca 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.80 1wg6 n HIS 94 Cb 0.39 -0.36 -0.10 0.00 -0.00 0.00 0.00 29.99 29.92 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1wg6 h GLU 95 N 0.00 -0.01 0.00 1.57 5.08 -1.93 0.36 114.58 119.65 1wg6 h GLU 95 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wg6 h GLU 95 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wg6 h GLU 95 CO 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1wg6 n ALA 96 N -3.24 -0.01 -0.29 3.43 0.00 0.19 0.14 120.51 120.73 1wg6 n ALA 96 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1wg6 n ALA 96 Cb 0.26 0.42 0.12 0.00 0.00 0.00 0.00 19.45 20.25 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 0.01 -0.63 0.00 2.86 -1.02 1.29 114.93 117.44 1wg6 h MET 97 Ca 0.00 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1wg6 h MET 97 Cb 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1wg6 h MET 97 CO 0.00 0.01 0.42 1.05 1.06 0.00 0.00 176.91 179.45 1wg6 h GLU 98 N 0.01 0.50 0.00 1.72 -0.00 0.21 0.16 114.58 117.19 1wg6 h GLU 98 Ca 0.41 -0.03 -0.12 0.00 -0.00 0.00 0.00 59.36 59.62 1wg6 h GLU 98 Cb 0.66 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 29.28 1wg6 h GLU 98 CO -0.82 0.33 -0.59 1.15 -0.00 0.00 0.00 179.01 179.08 1wg6 h THR 99 N 0.51 1.22 0.00 -1.06 2.02 1.03 -2.45 112.91 114.18 1wg6 h THR 99 Ca 0.29 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1wg6 h THR 99 Cb 0.45 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1wg6 h THR 99 CO -0.09 0.58 0.00 -0.11 0.37 0.00 0.00 175.52 176.27 1wg6 n LEU 100 N -3.55 0.12 0.31 2.58 7.94 0.52 -0.01 117.00 124.91 1wg6 n LEU 100 Ca -0.00 0.79 0.14 0.00 -1.11 0.00 0.00 56.01 55.83 1wg6 n LEU 100 Cb 0.65 -0.42 0.77 0.00 0.53 0.00 0.00 43.42 44.95 1wg6 n LEU 100 CO 0.41 -0.42 1.07 0.08 -1.11 0.00 0.00 177.39 177.42 1wg6 h ARG 101 N 0.00 0.00 0.04 1.96 0.11 -1.53 -0.23 114.38 114.73 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 -0.02 -0.09 0.10 0.00 0.00 179.97 179.96 1wg6 h ARG 102 N 0.00 -0.05 0.00 0.08 9.65 -1.26 -3.20 114.38 119.59 1wg6 h ARG 102 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1wg6 h ARG 102 Cb 0.60 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1wg6 h ARG 102 CO 0.00 0.53 0.00 0.43 2.80 0.00 0.00 179.97 183.73 1wg6 n SER 103 N -4.74 0.27 0.04 -3.80 7.64 0.99 0.21 113.62 114.23 1wg6 n SER 103 Ca -0.07 0.61 -0.12 0.00 1.01 0.00 0.00 58.87 60.30 1wg6 n SER 103 Cb 0.30 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.17 0.00 1.43 2.86 -1.27 0.30 114.93 118.08 1wg6 h MET 104 Ca 0.00 0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.30 1wg6 h MET 104 Cb 0.10 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1wg6 h MET 104 CO 0.00 0.29 -2.21 0.43 1.06 0.00 0.00 176.91 176.48 1wg6 n SER 105 N -4.92 0.23 0.06 1.22 7.64 -0.95 -2.58 113.62 114.32 1wg6 n SER 105 Ca -0.08 0.11 -0.06 0.00 1.01 0.00 0.00 58.87 59.85 1wg6 n SER 105 Cb 0.27 0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.00 -0.23 0.00 1.43 -1.53 0.23 -0.70 114.93 114.12 1wg6 h MET 106 Ca -0.48 0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 55.79 1wg6 h MET 106 Cb 2.18 0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 33.28 1wg6 h MET 106 CO 0.04 -0.02 -0.07 0.93 0.14 0.00 0.00 176.91 177.94 1wg6 h GLU 107 N -1.03 0.00 -0.00 0.39 5.08 -1.36 -3.09 114.58 114.57 1wg6 h GLU 107 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wg6 h GLU 107 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1wg6 h GLU 107 CO 0.04 0.02 -0.48 0.41 -1.00 0.00 0.00 179.01 178.00 1wg6 n GLY 108 N 1.11 -1.05 0.10 -3.84 0.00 0.03 -2.62 105.19 98.92 1wg6 n GLY 108 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 0.34 -0.11 0.59 1.61 2.35 -1.03 1.08 115.58 120.40 1wg6 h ASN 109 Ca 0.00 -0.38 -0.28 0.00 -0.55 0.00 0.00 56.30 55.08 1wg6 h ASN 109 Cb 0.51 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wg6 h ASN 109 CO 0.00 0.35 -1.35 0.16 -1.65 0.00 0.00 177.43 174.94 1wg6 h ILE 110 N -0.61 1.36 0.02 2.81 -2.65 -1.71 -3.39 117.51 113.34 1wg6 h ILE 110 Ca -0.01 -2.98 -0.00 0.00 1.03 0.00 0.00 64.86 62.90 1wg6 h ILE 110 Cb 0.49 2.85 0.00 0.00 -2.05 0.00 0.00 36.82 38.11 1wg6 h ILE 110 CO 0.02 0.86 -0.01 0.03 0.03 0.00 0.00 178.15 179.08 1wg6 h ARG 111 N 0.06 -0.02 0.00 0.16 2.47 -1.57 -3.49 114.38 111.99 1wg6 h ARG 111 Ca -0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1wg6 h ARG 111 Cb 1.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.30 1wg6 h ARG 111 CO 0.18 -0.01 0.00 0.41 0.56 0.00 0.00 179.97 181.10 1wg6 n GLY 112 N 1.77 1.46 3.87 0.04 0.00 0.37 -5.01 105.19 107.70 1wg6 n GLY 112 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1wg6 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wg6 s MET 113 N -0.19 1.44 0.03 1.61 0.23 -1.24 -0.79 119.30 120.40 1wg6 s MET 113 Ca 0.00 -0.93 0.01 0.00 -1.03 0.00 0.00 55.69 53.74 1wg6 s MET 113 Cb 0.00 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 1wg6 s MET 113 CO 0.00 -0.68 -0.05 -1.50 -2.03 0.00 0.00 175.02 170.77 1wg6 s ILE 114 N -2.21 0.29 0.15 3.16 2.07 0.13 -3.92 121.20 120.87 1wg6 s ILE 114 Ca 0.21 -1.04 0.10 0.00 -1.41 0.00 0.00 60.65 58.51 1wg6 s ILE 114 Cb -0.03 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1wg6 s ILE 114 CO 0.06 -0.48 -0.18 -1.58 -1.91 0.00 0.00 174.94 170.84 1wg6 s GLN 115 N -1.66 1.75 -0.04 3.50 0.74 -1.26 0.19 119.66 122.88 1wg6 s GLN 115 Ca -0.12 -1.28 0.02 0.00 0.05 0.00 0.00 55.36 54.03 1wg6 s GLN 115 Cb -0.09 -2.05 0.01 0.00 1.10 0.00 0.00 33.01 31.98 1wg6 s GLN 115 CO -0.01 0.45 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.58 1wg6 s LEU 116 N -2.39 1.66 -0.33 3.68 1.43 0.71 -1.66 118.68 121.78 1wg6 s LEU 116 Ca 0.20 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1wg6 s LEU 116 Cb -0.10 -0.64 0.05 0.00 0.03 0.00 0.00 46.19 45.54 1wg6 s LEU 116 CO 0.11 0.04 0.07 -0.69 0.23 0.00 0.00 176.35 176.11 1wg6 s VAL 117 N 0.46 3.36 0.05 -1.59 1.01 -1.12 -1.35 120.40 121.22 1wg6 s VAL 117 Ca -0.08 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.53 1wg6 s VAL 117 Cb -0.12 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1wg6 s VAL 117 CO 0.01 -0.22 0.11 0.27 0.00 0.00 0.00 175.10 175.27 1wg6 s ILE 118 N 1.30 4.81 -0.06 2.22 -5.25 -0.66 -1.81 121.20 121.75 1wg6 s ILE 118 Ca -0.02 -0.57 0.05 0.00 -0.99 0.00 0.00 60.65 59.12 1wg6 s ILE 118 Cb -0.20 -3.29 -0.01 0.00 2.95 0.00 0.00 42.46 41.91 1wg6 s ILE 118 CO 0.00 0.19 -0.22 -0.22 -1.79 0.00 0.00 174.94 172.91 1wg6 s LEU 119 N -2.24 2.00 0.21 0.37 1.98 -1.25 -0.57 118.68 119.18 1wg6 s LEU 119 Ca 0.29 -0.45 0.04 0.00 -2.89 0.00 0.00 54.13 51.12 1wg6 s LEU 119 Cb -0.12 -1.21 -0.05 0.00 0.66 0.00 0.00 46.19 45.46 1wg6 s LEU 119 CO 0.21 0.19 -0.04 -0.60 -1.89 0.00 0.00 176.35 174.22 1wg6 s ARG 120 N 0.02 1.30 0.22 1.98 3.52 0.41 -4.67 118.95 121.72 1wg6 s ARG 120 Ca -0.06 -1.63 0.00 0.00 -0.13 0.00 0.00 55.73 53.91 1wg6 s ARG 120 Cb -0.14 -0.71 0.00 0.00 -1.56 0.00 0.00 34.95 32.54 1wg6 s ARG 120 CO 0.04 -0.02 0.00 2.89 -0.81 0.00 0.00 175.30 177.40 1wg6 n ARG 121 N -0.38 0.00 -0.08 5.12 1.85 -1.26 -1.33 116.66 120.57 1wg6 n ARG 121 Ca -0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.65 1wg6 n ARG 121 Cb 0.63 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.90 1wg6 n ARG 121 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wg6 n SER 122 N -3.18 1.02 0.00 2.89 2.88 -1.26 -4.93 113.62 111.04 1wg6 n SER 122 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1wg6 n SER 122 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1wg6 n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 123 N 1.91 1.22 2.94 0.46 0.00 -1.26 -4.68 105.19 105.78 1wg6 n GLY 123 Ca -0.34 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 2.15 -3.63 1.61 -0.04 -1.26 -4.76 135.00 129.07 1wg6 n PRO 124 Ca 0.00 -2.22 -0.29 0.00 -0.04 0.00 0.00 63.50 60.95 1wg6 n PRO 124 Cb 0.00 -3.11 -0.14 0.00 -0.04 0.00 0.00 33.50 30.22 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 4.18 3.60 -0.59 3.54 0.01 -1.26 -5.04 113.70 118.14 1wg6 s SER 125 Ca 0.53 -1.95 0.04 0.00 1.31 0.00 0.00 55.95 55.88 1wg6 s SER 125 Cb 0.14 -0.71 0.16 0.00 0.21 0.00 0.00 66.02 65.83 1wg6 s SER 125 CO 0.02 -0.36 0.41 -0.44 0.41 0.00 0.00 173.24 173.29 1wg6 s SER 126 N 1.26 3.75 0.00 2.44 0.01 -1.26 -5.07 113.70 114.84 1wg6 s SER 126 Ca 0.13 -3.47 0.22 0.00 1.31 0.00 0.00 55.95 54.14 1wg6 s SER 126 Cb -0.20 -1.25 1.32 0.00 0.21 0.00 0.00 66.02 66.10 1wg6 s SER 126 CO -0.15 -0.13 1.70 0.61 0.41 0.00 0.00 173.24 175.67