#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 -0.04 0.50 1.61 0.01 -1.26 -5.16 113.70 109.36 1wg6 s SER 2 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1wg6 s SER 2 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1wg6 s SER 2 CO 0.00 -0.10 0.00 -0.24 0.41 0.00 0.00 173.24 173.31 1wg6 n SER 3 N -0.21 -7.25 0.00 2.44 2.88 -1.26 -5.09 113.62 105.14 1wg6 n SER 3 Ca -0.01 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 59.08 1wg6 n SER 3 Cb 0.59 -4.17 0.00 0.00 -0.75 0.00 0.00 64.21 59.89 1wg6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 4 N -2.30 2.78 3.71 0.46 0.00 -1.26 -5.19 105.19 103.38 1wg6 n GLY 4 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1wg6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg6 s SER 5 N 0.00 -0.36 0.08 1.61 1.04 -1.26 -5.19 113.70 109.62 1wg6 s SER 5 Ca 0.00 -0.41 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 1wg6 s SER 5 Cb 0.00 0.68 0.09 0.00 0.10 0.00 0.00 66.02 66.89 1wg6 s SER 5 CO 0.00 -1.22 1.03 -0.44 0.98 0.00 0.00 173.24 173.59 1wg6 s SER 6 N -2.86 -0.18 0.00 7.02 0.01 -1.26 -5.19 113.70 111.24 1wg6 s SER 6 Ca 0.08 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1wg6 s SER 6 Cb -0.04 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wg6 s SER 6 CO 0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1wg6 n GLY 7 N -0.42 5.74 2.01 3.44 0.00 -1.26 -5.12 105.19 109.58 1wg6 n GLY 7 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.12 -1.62 0.99 4.77 -1.26 -5.15 117.00 114.60 1wg6 n LEU 8 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1wg6 n LEU 8 Cb 0.00 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wg6 n LEU 8 CO 0.00 -0.50 -0.34 0.29 -1.33 0.00 0.00 177.39 175.51 1wg6 n LYS 9 N -2.59 -4.03 0.00 3.23 4.01 -1.26 -5.08 118.16 112.44 1wg6 n LYS 9 Ca 0.00 3.00 0.00 0.00 -0.51 0.00 0.00 58.31 60.80 1wg6 n LYS 9 Cb 0.00 -3.07 0.00 0.00 -0.51 0.00 0.00 35.03 31.45 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wg6 n GLY 10 N 1.35 -1.42 1.56 0.72 0.00 -1.26 -5.17 105.19 100.97 1wg6 n GLY 10 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.29 -4.44 0.08 1.61 1.02 -1.26 -4.88 120.64 111.48 1wg6 n GLU 11 Ca 0.00 3.32 -0.06 0.00 -0.02 0.00 0.00 57.16 60.40 1wg6 n GLU 11 Cb 0.00 -3.79 -0.04 0.00 -0.02 0.00 0.00 31.44 27.60 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 1.45 -0.29 -4.81 3.49 0.13 -2.08 -3.50 132.00 126.39 1wg6 h PRO 12 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wg6 h PRO 12 Cb 0.11 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 31.24 1wg6 h PRO 12 CO 0.00 -0.10 -1.28 -0.25 -0.23 0.00 0.00 178.00 176.14 1wg6 n ASP 13 N -4.97 -4.92 0.00 1.44 8.00 -1.26 -5.08 116.55 109.76 1wg6 n ASP 13 Ca -0.05 1.59 0.00 0.00 0.71 0.00 0.00 54.79 57.04 1wg6 n ASP 13 Cb 0.16 -5.18 0.00 0.00 -0.02 0.00 0.00 41.12 36.08 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 0.00 -0.17 -0.23 0.00 1.13 -1.26 -5.11 117.35 111.71 1wg6 s TYR 15 Ca 0.00 0.43 -0.41 0.00 -1.41 0.00 0.00 57.07 55.68 1wg6 s TYR 15 Cb 0.00 0.04 -0.18 0.00 -1.10 0.00 0.00 41.96 40.72 1wg6 s TYR 15 CO 0.00 -0.10 1.54 0.00 -2.51 0.00 0.00 175.55 174.48 1wg6 n ALA 16 N 3.22 -1.10 -2.29 9.51 0.00 -1.26 -4.93 120.51 123.66 1wg6 n ALA 16 Ca -0.15 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 1wg6 n ALA 16 Cb 0.58 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.87 1wg6 n ALA 16 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wg6 s LEU 17 N 2.36 1.51 0.00 0.00 0.05 -1.26 -4.92 118.68 116.42 1wg6 s LEU 17 Ca 0.96 -1.43 0.00 0.00 0.05 0.00 0.00 54.13 53.71 1wg6 s LEU 17 Cb -1.19 0.17 0.00 0.00 -2.05 0.00 0.00 46.19 43.12 1wg6 s LEU 17 CO 0.65 -0.80 0.00 -1.20 -0.55 0.00 0.00 176.35 174.45 1wg6 n SER 18 N -0.54 0.00 0.00 1.48 7.64 -1.26 -4.77 113.62 116.17 1wg6 n SER 18 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wg6 n SER 18 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1wg6 n SER 18 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wg6 n LEU 19 N 0.00 0.00 -4.52 -3.43 0.00 -1.26 -4.82 117.00 102.97 1wg6 n LEU 19 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.77 1wg6 n LEU 19 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1wg6 n LEU 19 CO 0.00 0.00 -0.44 -0.70 0.00 0.00 0.00 177.39 176.25 1wg6 s GLU 20 N 0.00 1.87 -0.81 1.96 2.12 -1.26 -5.09 118.70 117.48 1wg6 s GLU 20 Ca 0.00 -1.62 -0.06 0.00 0.36 0.00 0.00 54.97 53.66 1wg6 s GLU 20 Cb 0.00 -1.91 0.21 0.00 0.26 0.00 0.00 34.13 32.68 1wg6 s GLU 20 CO 0.00 0.35 0.70 -1.12 -0.54 0.00 0.00 175.26 174.65 1wg6 s SER 21 N -3.45 6.05 -0.06 -1.70 0.01 -1.26 -5.01 113.70 108.29 1wg6 s SER 21 Ca 0.29 -3.20 -0.26 0.00 1.31 0.00 0.00 55.95 54.09 1wg6 s SER 21 Cb -0.06 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.24 1wg6 s SER 21 CO 0.16 -0.34 0.59 -0.44 0.41 0.00 0.00 173.24 173.62 1wg6 s SER 22 N 0.78 -0.55 0.25 2.44 0.01 -1.26 -4.42 113.70 110.95 1wg6 s SER 22 Ca 0.22 0.61 0.07 0.00 1.31 0.00 0.00 55.95 58.16 1wg6 s SER 22 Cb -0.13 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 1wg6 s SER 22 CO -0.08 -0.54 0.20 -1.61 0.41 0.00 0.00 173.24 171.62 1wg6 s GLU 23 N -1.10 2.95 0.01 12.44 2.02 0.04 -4.97 118.70 130.10 1wg6 s GLU 23 Ca -0.11 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 53.86 1wg6 s GLU 23 Cb -0.02 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 1wg6 s GLU 23 CO 0.08 0.41 -0.04 -1.14 0.02 0.00 0.00 175.26 174.59 1wg6 s GLN 24 N -3.80 0.29 -0.00 1.61 -0.44 -1.26 -0.88 119.66 115.18 1wg6 s GLN 24 Ca 0.33 -0.32 0.07 0.00 -2.50 0.00 0.00 55.36 52.93 1wg6 s GLN 24 Cb -0.08 -0.16 -0.02 0.00 -1.64 0.00 0.00 33.01 31.11 1wg6 s GLN 24 CO 0.25 0.03 -0.22 -0.51 0.50 0.00 0.00 175.29 175.34 1wg6 s LEU 25 N -0.63 2.07 -0.27 3.68 1.43 -1.08 -4.99 118.68 118.89 1wg6 s LEU 25 Ca -0.04 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1wg6 s LEU 25 Cb -0.05 -1.13 0.07 0.00 0.03 0.00 0.00 46.19 45.12 1wg6 s LEU 25 CO -0.00 0.26 -0.02 -0.89 0.23 0.00 0.00 176.35 175.93 1wg6 s THR 26 N -0.58 1.62 -0.19 5.49 2.01 -1.26 -2.34 115.64 120.39 1wg6 s THR 26 Ca 0.09 -1.48 -0.02 0.00 0.31 0.00 0.00 61.69 60.59 1wg6 s THR 26 Cb -0.09 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1wg6 s THR 26 CO -0.00 -0.27 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.81 1wg6 s LEU 27 N 1.32 2.75 0.22 4.42 2.01 -1.20 -4.98 118.68 123.22 1wg6 s LEU 27 Ca -0.01 -0.40 -0.23 0.00 0.01 0.00 0.00 54.13 53.50 1wg6 s LEU 27 Cb -0.19 -1.67 -0.08 0.00 0.01 0.00 0.00 46.19 44.26 1wg6 s LEU 27 CO -0.09 0.04 0.78 -1.61 1.01 0.00 0.00 176.35 176.48 1wg6 s GLU 28 N 1.11 4.43 -0.14 1.70 2.02 -1.26 -2.93 118.70 123.62 1wg6 s GLU 28 Ca 0.01 1.06 -0.01 0.00 0.02 0.00 0.00 54.97 56.04 1wg6 s GLU 28 Cb -0.15 -3.00 0.04 0.00 0.10 0.00 0.00 34.13 31.12 1wg6 s GLU 28 CO -0.02 0.44 -0.03 0.42 0.02 0.00 0.00 175.26 176.09 1wg6 s ILE 29 N -1.41 0.85 0.06 -1.63 1.01 0.56 -4.92 121.20 115.72 1wg6 s ILE 29 Ca 0.42 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1wg6 s ILE 29 Cb -0.19 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1wg6 s ILE 29 CO 0.23 0.14 1.16 -2.16 0.00 0.00 0.00 174.94 174.32 1wg6 s PRO 30 N 1.75 4.46 -0.66 2.79 0.04 -1.26 -0.18 135.00 141.95 1wg6 s PRO 30 Ca 0.02 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1wg6 s PRO 30 Cb -0.14 -3.36 0.36 0.00 0.04 0.00 0.00 34.50 31.40 1wg6 s PRO 30 CO -0.07 -0.20 1.30 1.28 0.04 0.00 0.00 177.00 179.35 1wg6 n LEU 31 N 3.80 5.50 -0.04 -3.56 4.77 0.49 -4.66 117.00 123.30 1wg6 n LEU 31 Ca 0.08 -5.38 -0.02 0.00 -0.03 0.00 0.00 56.01 50.66 1wg6 n LEU 31 Cb 0.47 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1wg6 n LEU 31 CO 0.55 2.19 -0.16 0.78 -1.33 0.00 0.00 177.39 179.41 1wg6 h ASN 32 N 3.08 0.00 0.27 -1.43 2.35 -1.93 -3.04 115.58 114.88 1wg6 h ASN 32 Ca 0.31 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.73 1wg6 h ASN 32 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1wg6 h ASN 32 CO 0.98 0.45 -1.76 -0.78 -1.65 0.00 0.00 177.43 174.66 1wg6 h ASP 33 N -0.66 0.44 -0.02 5.81 3.58 -1.94 -3.36 116.42 120.26 1wg6 h ASP 33 Ca 0.00 -0.75 -0.12 0.00 0.42 0.00 0.00 57.03 56.58 1wg6 h ASP 33 Cb 0.24 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1wg6 h ASP 33 CO 0.00 1.65 -0.47 0.28 -2.88 0.00 0.00 179.24 177.81 1wg6 h SER 34 N 0.08 0.46 -1.23 2.28 0.02 -1.83 -3.23 113.55 110.09 1wg6 h SER 34 Ca -0.34 -0.73 0.46 0.00 -0.84 0.00 0.00 61.79 60.34 1wg6 h SER 34 Cb 2.05 -0.14 -0.16 0.00 0.14 0.00 0.00 62.40 64.30 1wg6 h SER 34 CO 0.14 1.12 0.75 0.61 -1.14 0.00 0.00 176.83 178.31 1wg6 n GLY 35 N 0.96 -0.81 0.32 -3.77 0.00 -1.15 0.90 105.19 101.64 1wg6 n GLY 35 Ca -0.10 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1wg6 n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wg6 h SER 36 N 0.00 -0.91 0.11 1.61 0.87 -1.70 -2.44 113.55 111.08 1wg6 h SER 36 Ca 0.87 0.24 -0.37 0.00 -1.23 0.00 0.00 61.79 61.31 1wg6 h SER 36 Cb 2.61 0.54 -0.04 0.00 -0.44 0.00 0.00 62.40 65.07 1wg6 h SER 36 CO -0.59 -0.27 -2.17 0.00 -0.53 0.00 0.00 176.83 173.26 1wg6 n ALA 37 N -3.29 1.18 0.00 6.23 0.00 0.20 -5.10 120.51 119.72 1wg6 n ALA 37 Ca 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1wg6 n ALA 37 Cb 0.39 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 2.03 1.44 0.00 0.00 0.00 0.26 -4.94 105.19 103.99 1wg6 n GLY 38 Ca -0.36 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 0.00 0.99 4.77 -1.26 -4.28 117.00 117.22 1wg6 n LEU 39 Ca 0.00 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1wg6 n LEU 39 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1wg6 n LEU 39 CO 0.00 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1wg6 n GLY 40 N -1.00 1.00 3.12 -0.72 0.00 -1.26 -4.24 105.19 102.08 1wg6 n GLY 40 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.98 0.16 -0.06 1.61 -7.23 -1.26 -4.17 120.40 107.48 1wg6 s VAL 41 Ca 0.00 -1.33 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1wg6 s VAL 41 Cb 0.00 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 1wg6 s VAL 41 CO 0.00 -0.74 -0.13 -0.55 -0.31 0.00 0.00 175.10 173.37 1wg6 s SER 42 N -2.48 4.12 0.50 4.85 0.15 -1.25 -5.06 113.70 114.53 1wg6 s SER 42 Ca 0.00 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1wg6 s SER 42 Cb 0.02 -0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 1wg6 s SER 42 CO -0.07 0.33 0.17 -0.76 1.20 0.00 0.00 173.24 174.10 1wg6 s LEU 43 N -0.63 2.63 0.00 3.45 1.43 -1.26 -0.50 118.68 123.80 1wg6 s LEU 43 Ca 0.09 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1wg6 s LEU 43 Cb -0.11 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 1wg6 s LEU 43 CO 0.01 -0.85 -0.02 -1.59 0.23 0.00 0.00 176.35 174.14 1wg6 s LYS 44 N -4.00 0.15 -0.24 1.70 -2.85 0.45 -4.66 119.74 110.29 1wg6 s LYS 44 Ca 0.24 -0.16 -0.09 0.00 -1.00 0.00 0.00 55.97 54.95 1wg6 s LYS 44 Cb 0.01 -0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.67 1wg6 s LYS 44 CO 0.14 0.02 0.12 0.20 0.10 0.00 0.00 175.35 175.92 1wg6 s GLY 45 N -0.32 1.90 -0.04 0.59 0.00 -1.26 0.10 107.32 108.29 1wg6 s GLY 45 Ca -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 1wg6 s GLY 45 CO -0.00 0.41 0.04 -1.31 0.00 0.00 0.00 173.10 172.24 1wg6 s ASN 46 N 1.21 5.48 0.08 1.64 -0.87 -0.97 -5.00 114.94 116.52 1wg6 s ASN 46 Ca 0.06 0.15 0.08 0.00 -1.57 0.00 0.00 52.86 51.57 1wg6 s ASN 46 Cb -0.14 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.25 39.49 1wg6 s ASN 46 CO 0.05 0.32 -0.20 -0.75 -2.57 0.00 0.00 177.10 173.96 1wg6 s LYS 47 N -1.33 1.13 -0.08 -0.60 2.47 -1.26 -1.33 119.74 118.73 1wg6 s LYS 47 Ca 0.18 -1.08 0.01 0.00 -1.56 0.00 0.00 55.97 53.52 1wg6 s LYS 47 Cb -0.12 -1.33 -0.03 0.00 -1.46 0.00 0.00 37.83 34.90 1wg6 s LYS 47 CO 0.08 0.31 -0.10 0.45 0.16 0.00 0.00 175.35 176.26 1wg6 s SER 48 N -1.72 4.36 -0.19 1.43 0.15 0.61 -4.80 113.70 113.55 1wg6 s SER 48 Ca 0.05 -0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.38 1wg6 s SER 48 Cb -0.10 -1.21 -0.15 0.00 -1.71 0.00 0.00 66.02 62.86 1wg6 s SER 48 CO 0.03 0.30 0.13 0.03 1.20 0.00 0.00 173.24 174.94 1wg6 h ARG 49 N 5.68 0.00 -0.23 5.44 2.47 -1.95 -2.40 114.38 123.39 1wg6 h ARG 49 Ca -0.42 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.32 1wg6 h ARG 49 Cb 1.17 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 1wg6 h ARG 49 CO 0.53 0.73 -0.15 0.93 0.56 0.00 0.00 179.97 182.57 1wg6 h GLU 50 N -1.00 -0.02 -0.20 0.04 5.08 -1.97 -2.09 114.58 114.42 1wg6 h GLU 50 Ca -0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1wg6 h GLU 50 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wg6 h GLU 50 CO -0.15 -0.01 -0.12 1.79 -1.00 0.00 0.00 179.01 179.52 1wg6 h THR 51 N -0.02 1.31 -0.74 1.13 1.35 -2.02 -3.48 112.91 110.45 1wg6 h THR 51 Ca 0.04 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1wg6 h THR 51 Cb 0.12 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1wg6 h THR 51 CO -0.23 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1wg6 n GLY 52 N 0.04 0.55 3.32 5.82 0.00 -0.79 -5.11 105.19 109.01 1wg6 n GLY 52 Ca -0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.89 0.08 -0.48 2.61 2.01 -0.95 -4.98 115.64 112.04 1wg6 s THR 53 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 1wg6 s THR 53 Cb 0.00 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.10 1wg6 s THR 53 CO 0.00 -0.39 1.15 1.51 -0.69 0.00 0.00 174.62 176.21 1wg6 s ASP 54 N -2.87 6.61 0.31 3.53 1.47 -1.26 -0.28 116.67 124.18 1wg6 s ASP 54 Ca 0.08 0.47 0.07 0.00 1.18 0.00 0.00 52.55 54.35 1wg6 s ASP 54 Cb 0.03 -2.55 0.85 0.00 -0.34 0.00 0.00 42.92 40.91 1wg6 s ASP 54 CO -0.08 -1.27 1.68 -0.07 0.68 0.00 0.00 175.17 176.11 1wg6 h LEU 55 N 11.30 0.36 0.00 2.11 3.38 -1.52 -3.47 115.31 127.48 1wg6 h LEU 55 Ca -0.23 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wg6 h LEU 55 Cb 1.06 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wg6 h LEU 55 CO 1.13 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1wg6 n GLY 56 N -1.33 0.82 3.78 0.83 0.00 -1.20 -4.93 105.19 103.16 1wg6 n GLY 56 Ca 0.25 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.56 5.39 -0.09 -0.61 -1.09 -1.26 -2.29 121.20 118.69 1wg6 s ILE 57 Ca 0.00 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1wg6 s ILE 57 Cb 0.00 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 1wg6 s ILE 57 CO 0.00 0.49 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.67 1wg6 s PHE 58 N -0.08 1.95 0.53 3.97 0.40 0.29 -0.84 117.98 124.19 1wg6 s PHE 58 Ca 0.13 -0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 55.43 1wg6 s PHE 58 Cb -0.12 -1.38 -0.08 0.00 0.51 0.00 0.00 43.02 41.96 1wg6 s PHE 58 CO 0.02 -0.39 0.87 -0.89 0.70 0.00 0.00 175.22 175.52 1wg6 n ILE 59 N 3.89 2.88 -0.11 0.64 5.41 -1.24 0.17 119.36 131.01 1wg6 n ILE 59 Ca -0.20 -0.50 -0.17 0.00 1.00 0.00 0.00 62.75 62.88 1wg6 n ILE 59 Cb 0.52 -1.03 -0.06 0.00 -0.71 0.00 0.00 39.64 38.36 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 -0.35 0.55 -3.60 0.38 4.81 0.35 0.91 118.16 121.21 1wg6 n LYS 60 Ca 0.12 0.23 -0.06 0.00 -0.87 0.00 0.00 58.31 57.72 1wg6 n LYS 60 Cb 0.44 -1.44 -0.04 0.00 0.02 0.00 0.00 35.03 34.01 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 -6.51 -0.20 -0.16 3.14 1.04 -1.16 -4.58 113.70 105.26 1wg6 s SER 61 Ca -0.32 0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 1wg6 s SER 61 Cb 0.08 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1wg6 s SER 61 CO 0.45 -0.22 0.21 -0.63 0.98 0.00 0.00 173.24 174.02 1wg6 s ILE 62 N -1.46 5.37 0.41 -1.02 1.09 -1.26 -3.74 121.20 120.59 1wg6 s ILE 62 Ca 0.05 0.36 -0.13 0.00 -1.10 0.00 0.00 60.65 59.83 1wg6 s ILE 62 Cb -0.01 -3.53 -0.07 0.00 -1.06 0.00 0.00 42.46 37.79 1wg6 s ILE 62 CO -0.04 0.46 0.81 -0.63 -0.10 0.00 0.00 174.94 175.44 1wg6 s ILE 63 N 0.11 4.71 0.12 2.92 1.09 -1.26 -4.92 121.20 123.96 1wg6 s ILE 63 Ca 0.13 0.81 0.03 0.00 -1.10 0.00 0.00 60.65 60.52 1wg6 s ILE 63 Cb -0.12 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1wg6 s ILE 63 CO 0.02 -0.49 0.17 -2.28 -0.10 0.00 0.00 174.94 172.26 1wg6 s HIS 64 N -2.35 3.32 0.00 3.97 2.46 -1.26 -2.79 115.29 118.64 1wg6 s HIS 64 Ca 0.53 0.10 0.00 0.00 0.47 0.00 0.00 55.06 56.16 1wg6 s HIS 64 Cb -0.10 -1.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.72 1wg6 s HIS 64 CO 0.28 0.53 0.00 0.41 -2.47 0.00 0.00 174.74 173.50 1wg6 n GLY 65 N -0.05 0.63 0.00 1.59 0.00 -1.26 -5.00 105.19 101.09 1wg6 n GLY 65 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.64 5.02 0.12 -0.02 0.00 -1.26 -5.06 105.19 101.34 1wg6 n GLY 66 Ca 0.00 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.08 -0.73 4.61 0.00 -1.90 -3.30 119.26 118.86 1wg6 h ALA 67 Ca 0.00 -0.69 0.16 0.00 0.00 0.00 0.00 54.91 54.38 1wg6 h ALA 67 Cb 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 1wg6 h ALA 67 CO 0.00 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1wg6 h ALA 68 N 0.10 0.89 -0.87 0.00 0.00 -1.84 0.90 119.26 118.43 1wg6 h ALA 68 Ca -0.14 0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.23 1wg6 h ALA 68 Cb 1.64 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 19.55 1wg6 h ALA 68 CO 0.15 -0.37 0.15 0.34 0.00 0.00 0.00 179.25 179.53 1wg6 n PHE 69 N -5.21 0.69 -0.06 0.00 7.35 -1.12 0.20 117.46 119.31 1wg6 n PHE 69 Ca 0.14 1.04 -0.07 0.00 -0.76 0.00 0.00 57.45 57.80 1wg6 n PHE 69 Cb 0.46 -1.24 -0.01 0.00 0.35 0.00 0.00 39.48 39.04 1wg6 n PHE 69 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1wg6 h LYS 70 N 0.00 -0.07 0.00 -4.13 1.57 -0.99 0.16 116.57 113.11 1wg6 h LYS 70 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1wg6 h LYS 70 Cb 1.34 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1wg6 h LYS 70 CO -0.77 -0.05 -0.03 -3.47 -0.57 0.00 0.00 179.45 174.56 1wg6 n ASP 71 N -5.28 0.53 -0.14 0.86 2.03 0.51 -3.69 116.55 111.37 1wg6 n ASP 71 Ca -0.01 0.52 0.26 0.00 0.52 0.00 0.00 54.79 56.09 1wg6 n ASP 71 Cb 0.20 -0.64 0.51 0.00 -0.72 0.00 0.00 41.12 40.47 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 4.69 0.00 -1.29 0.27 0.00 0.53 0.14 103.07 107.41 1wg6 h GLY 72 Ca 0.00 0.00 0.41 0.00 0.00 0.00 0.00 47.33 47.74 1wg6 h GLY 72 CO 0.00 0.00 1.24 0.07 0.00 0.00 0.00 176.54 177.85 1wg6 h ARG 73 N 0.00 0.00 -7.39 4.80 0.11 -1.66 -3.39 114.38 106.86 1wg6 h ARG 73 Ca 0.42 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 60.07 1wg6 h ARG 73 Cb 2.50 0.00 0.18 0.00 1.11 0.00 0.00 29.97 33.76 1wg6 h ARG 73 CO -0.00 0.00 0.16 -0.51 0.10 0.00 0.00 179.97 179.71 1wg6 s LEU 74 N -7.27 1.02 -0.10 0.08 1.43 0.47 -5.05 118.68 109.25 1wg6 s LEU 74 Ca -0.04 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1wg6 s LEU 74 Cb 0.20 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.72 1wg6 s LEU 74 CO 0.68 -3.77 -0.20 -0.13 0.23 0.00 0.00 176.35 173.16 1wg6 s ARG 75 N -5.25 2.66 1.00 1.70 1.81 -1.26 -4.97 118.95 114.64 1wg6 s ARG 75 Ca 0.69 -0.74 -0.19 0.00 -1.72 0.00 0.00 55.73 53.77 1wg6 s ARG 75 Cb -0.13 -2.10 -0.16 0.00 -0.45 0.00 0.00 34.95 32.11 1wg6 s ARG 75 CO 0.57 0.07 -0.93 0.00 -0.68 0.00 0.00 175.30 174.32 1wg6 n MET 76 N 3.81 0.00 -2.75 3.54 0.00 -1.26 -3.74 117.12 116.73 1wg6 n MET 76 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.44 1wg6 n MET 76 Cb 0.52 -1.00 0.02 0.00 0.00 0.00 0.00 33.22 32.76 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 3.50 -3.05 -4.24 3.17 3.02 0.26 -4.89 115.26 113.02 1wg6 n ASN 77 Ca -0.02 -0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 53.97 1wg6 n ASN 77 Cb 0.59 -1.61 -0.05 0.00 -0.61 0.00 0.00 39.78 38.10 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 -3.07 6.14 -0.02 6.41 1.01 -1.25 -4.75 116.67 121.14 1wg6 s ASP 78 Ca 0.14 -2.59 -0.39 0.00 0.71 0.00 0.00 52.55 50.42 1wg6 s ASP 78 Cb -0.06 -2.08 -0.18 0.00 1.01 0.00 0.00 42.92 41.61 1wg6 s ASP 78 CO 0.17 -0.54 1.34 1.67 0.21 0.00 0.00 175.17 178.02 1wg6 n GLN 79 N 4.01 0.79 -2.95 8.23 7.27 -1.25 -3.69 117.38 129.79 1wg6 n GLN 79 Ca 0.08 0.28 -0.44 0.00 0.07 0.00 0.00 57.00 56.99 1wg6 n GLN 79 Cb 0.43 -1.89 -0.02 0.00 2.41 0.00 0.00 30.24 31.17 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 0.90 5.12 0.04 1.69 1.02 -0.02 -3.47 118.68 123.96 1wg6 s LEU 80 Ca 0.89 -2.26 0.11 0.00 0.02 0.00 0.00 54.13 52.89 1wg6 s LEU 80 Cb -1.08 -2.39 0.50 0.00 0.02 0.00 0.00 46.19 43.24 1wg6 s LEU 80 CO 0.54 -0.98 1.36 2.30 0.02 0.00 0.00 176.35 179.59 1wg6 n ILE 81 N 5.25 1.28 -3.99 -0.59 -5.35 -0.70 -4.16 119.36 111.10 1wg6 n ILE 81 Ca 0.26 0.35 0.03 0.00 -0.27 0.00 0.00 62.75 63.11 1wg6 n ILE 81 Cb 0.48 -1.20 0.01 0.00 -1.74 0.00 0.00 39.64 37.19 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 -1.54 -3.12 -3.37 -1.28 0.00 -1.24 -3.77 120.51 106.18 1wg6 n ALA 82 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 53.44 52.80 1wg6 n ALA 82 Cb 0.12 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.03 -0.72 -1.78 0.00 0.11 0.38 -3.51 120.40 112.85 1wg6 s VAL 83 Ca 0.26 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1wg6 s VAL 83 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1wg6 s VAL 83 CO -0.01 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.35 1wg6 n ASN 84 N 5.29 -5.03 0.00 3.54 3.02 -0.77 -0.45 115.26 120.86 1wg6 n ASN 84 Ca -0.08 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1wg6 n ASN 84 Cb 0.51 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg6 n GLY 85 N -0.91 0.44 3.79 7.41 0.00 -1.26 -4.95 105.19 109.71 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 -0.85 4.33 0.45 1.61 2.12 0.40 -5.05 118.70 121.70 1wg6 s GLU 86 Ca 0.00 0.87 -0.21 0.00 0.36 0.00 0.00 54.97 55.99 1wg6 s GLU 86 Cb 0.00 -3.26 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 1wg6 s GLU 86 CO 0.00 0.57 1.00 -0.08 -0.54 0.00 0.00 175.26 176.21 1wg6 s THR 87 N -0.96 4.04 0.00 -1.70 -1.32 -1.26 0.14 115.64 114.58 1wg6 s THR 87 Ca 0.32 1.32 0.00 0.00 -1.21 0.00 0.00 61.69 62.12 1wg6 s THR 87 Cb -0.20 -3.56 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 1wg6 s THR 87 CO 0.21 -0.23 0.00 0.18 -2.21 0.00 0.00 174.62 172.57 1wg6 n LEU 88 N -0.66 1.64 -0.33 9.08 4.77 -1.25 -4.71 117.00 125.55 1wg6 n LEU 88 Ca 0.08 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1wg6 n LEU 88 Cb 0.53 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.90 1wg6 n LEU 88 CO 0.39 0.26 1.14 -0.07 -1.33 0.00 0.00 177.39 177.78 1wg6 h LEU 89 N 0.00 0.64 -2.00 2.23 3.38 -1.77 0.61 115.31 118.40 1wg6 h LEU 89 Ca 0.00 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1wg6 h LEU 89 Cb 0.92 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1wg6 h LEU 89 CO 0.00 0.22 0.42 1.23 0.09 0.00 0.00 178.44 180.40 1wg6 h GLY 90 N 0.67 0.00 0.00 0.83 0.00 -1.92 -3.41 103.07 99.24 1wg6 h GLY 90 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1wg6 h GLY 90 CO -0.40 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.42 1wg6 n LYS 91 N -4.34 1.67 -3.05 4.80 5.02 0.21 -5.11 118.16 117.36 1wg6 n LYS 91 Ca 0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1wg6 n LYS 91 Cb 0.66 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.67 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 -1.76 2.17 -0.08 4.39 7.64 -1.26 -4.83 113.62 119.89 1wg6 n SER 92 Ca 0.00 -2.26 -0.07 0.00 1.01 0.00 0.00 58.87 57.55 1wg6 n SER 92 Cb 0.00 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.44 0.14 0.00 6.43 2.35 -1.91 0.23 115.58 123.26 1wg6 h ASN 93 Ca -0.23 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1wg6 h ASN 93 Cb 0.84 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1wg6 h ASN 93 CO 0.36 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 176.26 1wg6 n HIS 94 N -5.01 0.00 -0.22 1.19 1.44 -1.26 -1.84 115.22 109.51 1wg6 n HIS 94 Ca -0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 1wg6 n HIS 94 Cb 0.10 -0.33 -0.05 0.00 0.12 0.00 0.00 29.99 29.83 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1wg6 n GLU 95 N -1.48 -0.24 -0.03 -1.40 1.02 -1.23 0.22 120.64 117.49 1wg6 n GLU 95 Ca 0.00 1.17 -0.01 0.00 -0.02 0.00 0.00 57.16 58.31 1wg6 n GLU 95 Cb 0.00 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.67 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 -3.15 -0.05 -0.34 0.62 0.00 0.81 0.19 120.51 118.59 1wg6 n ALA 96 Ca 0.01 0.07 0.33 0.00 0.00 0.00 0.00 53.44 53.85 1wg6 n ALA 96 Cb 0.14 0.42 0.70 0.00 0.00 0.00 0.00 19.45 20.71 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 0.08 -0.18 0.00 2.86 -0.38 1.22 114.93 118.53 1wg6 h MET 97 Ca 0.01 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1wg6 h MET 97 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1wg6 h MET 97 CO -0.08 0.05 -0.34 1.05 1.06 0.00 0.00 176.91 178.66 1wg6 h GLU 98 N 0.08 0.36 -0.16 1.72 -0.00 0.65 -3.03 114.58 114.20 1wg6 h GLU 98 Ca 0.59 -0.15 -0.06 0.00 -0.00 0.00 0.00 59.36 59.74 1wg6 h GLU 98 Cb 2.17 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.90 1wg6 h GLU 98 CO -0.08 0.66 -0.12 1.15 -0.00 0.00 0.00 179.01 180.62 1wg6 h THR 99 N 0.31 1.33 0.00 -1.06 2.02 0.47 -2.85 112.91 113.13 1wg6 h THR 99 Ca 0.04 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1wg6 h THR 99 Cb 0.75 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1wg6 h THR 99 CO 0.06 0.36 0.00 -0.11 0.37 0.00 0.00 175.52 176.20 1wg6 n LEU 100 N -4.57 0.00 -0.40 2.58 7.94 -0.84 -0.00 117.00 121.70 1wg6 n LEU 100 Ca -0.06 0.78 0.33 0.00 -1.11 0.00 0.00 56.01 55.96 1wg6 n LEU 100 Cb 0.34 -0.28 0.60 0.00 0.53 0.00 0.00 43.42 44.61 1wg6 n LEU 100 CO 0.39 -0.28 1.20 0.08 -1.11 0.00 0.00 177.39 177.66 1wg6 h ARG 101 N 0.00 0.14 0.72 1.96 0.11 -1.66 0.40 114.38 116.05 1wg6 h ARG 101 Ca 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1wg6 h ARG 101 Cb 0.00 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.05 1wg6 h ARG 101 CO 0.00 0.09 -0.42 -0.09 0.10 0.00 0.00 179.97 179.66 1wg6 h ARG 102 N 0.15 -1.02 -0.77 0.08 2.43 -0.23 -0.91 114.38 114.11 1wg6 h ARG 102 Ca 0.78 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 60.01 1wg6 h ARG 102 Cb 2.28 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 32.03 1wg6 h ARG 102 CO -0.47 -0.68 0.43 0.66 -1.51 0.00 0.00 179.97 178.40 1wg6 h SER 103 N -1.06 0.95 -0.20 -3.80 4.64 0.33 0.76 113.55 115.17 1wg6 h SER 103 Ca -0.09 -0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1wg6 h SER 103 Cb 0.84 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1wg6 h SER 103 CO 0.11 0.76 0.15 0.24 -0.87 0.00 0.00 176.83 177.22 1wg6 h MET 104 N 1.07 0.00 0.01 4.77 2.86 -0.09 1.77 114.93 125.32 1wg6 h MET 104 Ca 0.27 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.56 1wg6 h MET 104 Cb 0.02 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 1wg6 h MET 104 CO -0.05 0.00 -2.18 0.45 1.06 0.00 0.00 176.91 176.19 1wg6 n SER 105 N -4.39 0.80 -0.01 1.22 2.88 -0.38 -3.74 113.62 110.01 1wg6 n SER 105 Ca 0.02 0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1wg6 n SER 105 Cb 0.29 0.27 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1wg6 n SER 105 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1wg6 h MET 106 N 0.01 0.00 -0.04 -1.46 2.07 0.13 -2.86 114.93 112.78 1wg6 h MET 106 Ca -0.47 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.17 1wg6 h MET 106 Cb 2.10 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.83 1wg6 h MET 106 CO 0.03 0.00 0.32 0.93 1.07 0.00 0.00 176.91 179.26 1wg6 h GLU 107 N -0.11 0.00 -0.01 1.72 4.39 0.25 1.52 114.58 122.34 1wg6 h GLU 107 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wg6 h GLU 107 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1wg6 h GLU 107 CO 0.00 0.00 -0.53 0.41 -1.16 0.00 0.00 179.01 177.73 1wg6 n GLY 108 N -1.24 -0.69 0.09 -3.84 0.00 -0.62 0.52 105.19 99.42 1wg6 n GLY 108 Ca -0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1wg6 n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wg6 n ASN 109 N -0.88 1.85 0.08 1.61 3.02 0.51 -3.04 115.26 118.41 1wg6 n ASN 109 Ca 0.08 0.51 -0.22 0.00 -0.03 0.00 0.00 54.58 54.92 1wg6 n ASN 109 Cb 0.37 -0.88 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 1wg6 n ASN 109 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1wg6 h ILE 110 N -1.00 1.29 0.00 2.41 -2.65 -1.46 -3.41 117.51 112.68 1wg6 h ILE 110 Ca -0.16 -2.43 0.00 0.00 1.03 0.00 0.00 64.86 63.30 1wg6 h ILE 110 Cb 0.90 2.67 0.00 0.00 -2.05 0.00 0.00 36.82 38.34 1wg6 h ILE 110 CO -0.10 0.74 0.00 -1.14 0.03 0.00 0.00 178.15 177.68 1wg6 n ARG 111 N -3.81 0.00 0.00 0.16 0.00 -0.91 -5.05 116.66 107.05 1wg6 n ARG 111 Ca -0.13 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1wg6 n ARG 111 Cb 0.97 -0.44 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1wg6 n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wg6 n GLY 112 N 1.90 1.55 3.24 5.14 0.00 0.18 -4.90 105.19 112.30 1wg6 n GLY 112 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1wg6 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg6 s MET 113 N -0.11 1.35 -0.11 1.61 -1.94 -1.17 0.19 119.30 119.12 1wg6 s MET 113 Ca 0.00 -1.71 -0.10 0.00 -1.71 0.00 0.00 55.69 52.17 1wg6 s MET 113 Cb 0.00 0.29 0.03 0.00 2.01 0.00 0.00 34.83 37.16 1wg6 s MET 113 CO 0.00 -0.46 0.28 -1.50 -0.01 0.00 0.00 175.02 173.33 1wg6 s ILE 114 N -3.97 0.00 0.07 2.53 2.07 0.75 -4.00 121.20 118.64 1wg6 s ILE 114 Ca 0.39 -0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.66 1wg6 s ILE 114 Cb 0.06 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1wg6 s ILE 114 CO 0.16 -0.00 -0.02 -1.58 -1.91 0.00 0.00 174.94 171.58 1wg6 s GLN 115 N 0.13 2.53 -0.14 3.50 0.74 -1.26 -0.32 119.66 124.83 1wg6 s GLN 115 Ca -0.00 -0.81 -0.00 0.00 0.05 0.00 0.00 55.36 54.59 1wg6 s GLN 115 Cb -0.02 -2.52 0.03 0.00 1.10 0.00 0.00 33.01 31.60 1wg6 s GLN 115 CO 0.00 0.56 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.72 1wg6 s LEU 116 N -2.06 1.49 -0.39 3.68 1.43 -1.15 -1.84 118.68 119.83 1wg6 s LEU 116 Ca 0.23 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1wg6 s LEU 116 Cb -0.11 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1wg6 s LEU 116 CO 0.15 -0.14 0.25 -0.69 0.23 0.00 0.00 176.35 176.15 1wg6 s VAL 117 N 1.63 4.90 0.25 -1.59 1.01 -1.23 -3.27 120.40 122.11 1wg6 s VAL 117 Ca 0.03 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1wg6 s VAL 117 Cb -0.14 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1wg6 s VAL 117 CO -0.08 -0.28 0.27 0.27 0.00 0.00 0.00 175.10 175.27 1wg6 s ILE 118 N 1.61 4.72 -0.12 2.22 -5.25 -0.99 -1.73 121.20 121.67 1wg6 s ILE 118 Ca 0.03 -1.24 0.01 0.00 -0.99 0.00 0.00 60.65 58.47 1wg6 s ILE 118 Cb -0.19 -3.57 0.02 0.00 2.95 0.00 0.00 42.46 41.67 1wg6 s ILE 118 CO 0.08 -0.33 -0.14 -0.22 -1.79 0.00 0.00 174.94 172.53 1wg6 s LEU 119 N -3.91 1.68 -0.10 0.37 1.98 -1.23 -2.65 118.68 114.83 1wg6 s LEU 119 Ca 0.34 -0.43 0.03 0.00 -2.89 0.00 0.00 54.13 51.17 1wg6 s LEU 119 Cb -0.08 -1.09 0.01 0.00 0.66 0.00 0.00 46.19 45.69 1wg6 s LEU 119 CO 0.27 -0.01 -0.18 -0.60 -1.89 0.00 0.00 176.35 173.94 1wg6 s ARG 120 N 1.13 2.48 0.64 1.98 3.52 -0.06 -4.67 118.95 123.97 1wg6 s ARG 120 Ca -0.04 -0.67 -0.07 0.00 -0.13 0.00 0.00 55.73 54.83 1wg6 s ARG 120 Cb -0.14 -2.00 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 1wg6 s ARG 120 CO -0.04 0.03 0.96 -0.98 -0.81 0.00 0.00 175.30 174.46 1wg6 s ARG 121 N 0.73 2.65 0.06 5.12 1.70 -1.26 -0.78 118.95 127.18 1wg6 s ARG 121 Ca -0.11 -0.05 -0.16 0.00 -0.47 0.00 0.00 55.73 54.93 1wg6 s ARG 121 Cb -0.16 -2.21 -0.06 0.00 -0.57 0.00 0.00 34.95 31.95 1wg6 s ARG 121 CO 0.02 -0.92 1.27 1.03 -1.08 0.00 0.00 175.30 175.62 1wg6 h SER 122 N -0.37 -0.89 -3.05 -2.89 0.87 -1.98 -3.45 113.55 101.80 1wg6 h SER 122 Ca -0.45 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1wg6 h SER 122 Cb 1.28 0.36 -0.23 0.00 -0.44 0.00 0.00 62.40 63.36 1wg6 h SER 122 CO 0.61 -0.21 0.19 -0.83 -0.53 0.00 0.00 176.83 176.06 1wg6 s GLY 123 N -1.65 -0.38 -1.21 5.77 0.00 -1.26 -5.05 107.32 103.54 1wg6 s GLY 123 Ca -0.07 2.60 -0.09 0.00 0.00 0.00 0.00 44.72 47.16 1wg6 s GLY 123 CO 0.30 2.29 2.44 -1.55 0.00 0.00 0.00 173.10 176.57 1wg6 n PRO 124 N 3.63 2.72 -3.27 2.90 -0.04 -1.26 -4.61 135.00 135.06 1wg6 n PRO 124 Ca -0.18 -1.81 -0.24 0.00 -0.04 0.00 0.00 63.50 61.23 1wg6 n PRO 124 Cb 0.58 -2.65 0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1wg6 n PRO 124 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg6 n SER 125 N 4.21 -6.34 -3.49 3.54 7.64 -1.26 -4.98 113.62 112.93 1wg6 n SER 125 Ca 0.58 0.18 -0.26 0.00 1.01 0.00 0.00 58.87 60.39 1wg6 n SER 125 Cb 0.19 -2.64 -0.13 0.00 -1.01 0.00 0.00 64.21 60.63 1wg6 n SER 125 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg6 s SER 126 N -1.63 2.91 0.00 6.43 0.01 -1.26 -5.31 113.70 114.85 1wg6 s SER 126 Ca 0.27 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1wg6 s SER 126 Cb -0.04 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1wg6 s SER 126 CO 0.70 -0.40 0.37 0.61 0.41 0.00 0.00 173.24 174.94