#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 0.06 -1.38 1.61 3.41 -1.26 -5.16 113.62 110.90 1wg6 n SER 2 Ca 0.00 0.37 0.16 0.00 -0.26 0.00 0.00 58.87 59.14 1wg6 n SER 2 Cb 0.00 0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 1wg6 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wg6 n SER 3 N -3.36 -7.19 -0.34 4.04 2.88 -1.26 -5.04 113.62 103.35 1wg6 n SER 3 Ca 0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1wg6 n SER 3 Cb 0.02 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 58.74 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 -4.26 6.01 3.61 0.46 0.00 -1.26 -5.17 105.19 104.57 1wg6 n GLY 4 Ca -0.09 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 0.54 -0.08 0.59 1.61 1.04 -1.26 -5.15 113.70 111.00 1wg6 s SER 5 Ca 0.00 0.12 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1wg6 s SER 5 Cb 0.00 1.04 -0.03 0.00 0.10 0.00 0.00 66.02 67.12 1wg6 s SER 5 CO 0.00 -0.02 1.32 -0.24 0.98 0.00 0.00 173.24 175.28 1wg6 n SER 6 N 3.23 2.36 0.00 7.02 2.88 -1.26 -4.91 113.62 122.95 1wg6 n SER 6 Ca -0.16 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1wg6 n SER 6 Cb 0.56 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1wg6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 7 N 0.85 -0.86 1.25 0.46 0.00 -1.26 -5.10 105.19 100.53 1wg6 n GLY 7 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.37 -0.93 0.99 7.94 -1.26 -5.17 117.00 118.20 1wg6 n LEU 8 Ca 0.00 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1wg6 n LEU 8 Cb 0.00 0.63 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1wg6 n LEU 8 CO 0.00 -0.24 -0.28 1.17 -1.11 0.00 0.00 177.39 176.93 1wg6 n LYS 9 N -2.28 -2.53 -2.08 1.96 4.81 -1.26 -4.55 118.16 112.23 1wg6 n LYS 9 Ca 0.00 1.94 -0.28 0.00 -0.87 0.00 0.00 58.31 59.10 1wg6 n LYS 9 Cb 0.00 -2.33 -0.05 0.00 0.02 0.00 0.00 35.03 32.67 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1wg6 s GLY 10 N -3.87 0.24 0.66 3.14 0.00 -1.26 -4.94 107.32 101.29 1wg6 s GLY 10 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 44.72 42.79 1wg6 s GLY 10 CO 0.00 3.47 1.00 1.18 0.00 0.00 0.00 173.10 178.75 1wg6 n GLU 11 N 8.67 0.75 0.01 2.90 -0.58 -1.26 -4.93 120.64 126.20 1wg6 n GLU 11 Ca 0.41 0.31 -0.18 0.00 -0.42 0.00 0.00 57.16 57.28 1wg6 n GLU 11 Cb 0.47 -2.23 -0.10 0.00 -0.57 0.00 0.00 31.44 29.01 1wg6 n GLU 11 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wg6 h PRO 12 N 0.17 0.61 0.00 3.49 0.13 -1.99 -3.48 132.00 130.93 1wg6 h PRO 12 Ca -0.48 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.05 1wg6 h PRO 12 Cb 1.35 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1wg6 h PRO 12 CO 0.49 1.21 0.00 -3.47 -0.23 0.00 0.00 178.00 176.00 1wg6 n ASP 13 N -4.03 0.00 -2.25 1.44 -0.08 -1.26 -5.12 116.55 105.25 1wg6 n ASP 13 Ca -0.10 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.16 1wg6 n ASP 13 Cb 0.75 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.19 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wg6 n TYR 15 N 1.41 -0.37 -1.14 0.00 4.11 -1.26 -5.17 117.16 114.74 1wg6 n TYR 15 Ca -0.20 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 57.85 1wg6 n TYR 15 Cb 0.30 0.07 -0.07 0.00 -0.00 0.00 0.00 39.34 39.65 1wg6 n TYR 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wg6 n ALA 16 N -1.39 -3.00 -1.00 -3.48 0.00 -1.26 -4.89 120.51 105.50 1wg6 n ALA 16 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1wg6 n ALA 16 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1wg6 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wg6 n LEU 17 N -3.89 0.00 -3.90 0.00 4.77 -1.26 -4.85 117.00 107.86 1wg6 n LEU 17 Ca -0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.60 1wg6 n LEU 17 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1wg6 n LEU 17 CO 0.03 0.00 -0.23 -1.54 -1.33 0.00 0.00 177.39 174.32 1wg6 n SER 18 N 0.00 -4.56 0.00 -1.43 3.41 -1.26 -4.78 113.62 105.00 1wg6 n SER 18 Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1wg6 n SER 18 Cb 0.00 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 1wg6 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wg6 n LEU 19 N -3.46 0.00 -4.66 1.04 -0.00 -1.26 -5.06 117.00 103.61 1wg6 n LEU 19 Ca -0.26 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.39 1wg6 n LEU 19 Cb 0.65 0.21 0.08 0.00 -0.00 0.00 0.00 43.42 44.37 1wg6 n LEU 19 CO 0.68 -0.32 0.66 -1.84 -0.00 0.00 0.00 177.39 176.57 1wg6 n GLU 20 N -2.14 0.69 0.00 1.47 0.28 -1.26 -2.58 120.64 117.09 1wg6 n GLU 20 Ca 0.00 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 1wg6 n GLU 20 Cb 0.00 -2.33 0.00 0.00 1.43 0.00 0.00 31.44 30.54 1wg6 n GLU 20 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wg6 n SER 21 N -1.82 0.00 -1.39 -1.84 2.88 -1.26 -4.93 113.62 105.27 1wg6 n SER 21 Ca 0.14 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.85 1wg6 n SER 21 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 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 3.09 -8.23 -4.71 -3.46 7.64 -1.06 -4.69 113.62 102.19 1wg6 n SER 22 Ca 0.00 1.33 -0.39 0.00 1.01 0.00 0.00 58.87 60.82 1wg6 n SER 22 Cb 0.00 -3.74 -0.05 0.00 -1.01 0.00 0.00 64.21 59.41 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 -1.89 4.39 0.01 1.43 0.41 -1.22 -4.98 118.70 116.85 1wg6 s GLU 23 Ca 0.00 0.72 0.05 0.00 -0.41 0.00 0.00 54.97 55.34 1wg6 s GLU 23 Cb 0.00 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.88 1wg6 s GLU 23 CO 0.00 0.06 -0.16 -1.14 -0.49 0.00 0.00 175.26 173.53 1wg6 s GLN 24 N 0.85 1.24 -0.11 1.61 -0.44 -1.26 -1.14 119.66 120.41 1wg6 s GLN 24 Ca 0.33 -0.66 0.02 0.00 -2.50 0.00 0.00 55.36 52.56 1wg6 s GLN 24 Cb -0.17 -1.23 0.01 0.00 -1.64 0.00 0.00 33.01 29.99 1wg6 s GLN 24 CO 0.15 0.33 -0.18 -0.51 0.50 0.00 0.00 175.29 175.58 1wg6 s LEU 25 N -0.63 1.85 -0.44 3.68 1.43 -1.17 -4.99 118.68 118.41 1wg6 s LEU 25 Ca 0.05 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1wg6 s LEU 25 Cb -0.07 -1.18 0.07 0.00 0.03 0.00 0.00 46.19 45.04 1wg6 s LEU 25 CO 0.00 0.05 0.33 -0.89 0.23 0.00 0.00 176.35 176.07 1wg6 s THR 26 N 0.82 4.85 -0.10 5.49 2.01 -1.26 -2.96 115.64 124.50 1wg6 s THR 26 Ca -0.09 -1.14 -0.06 0.00 0.31 0.00 0.00 61.69 60.71 1wg6 s THR 26 Cb -0.16 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1wg6 s THR 26 CO 0.00 -0.52 0.14 -0.76 -0.69 0.00 0.00 174.62 172.80 1wg6 s LEU 27 N 1.56 4.36 -0.18 4.42 2.01 -1.07 -4.97 118.68 124.81 1wg6 s LEU 27 Ca 0.04 0.43 0.00 0.00 0.01 0.00 0.00 54.13 54.61 1wg6 s LEU 27 Cb -0.23 -2.17 0.01 0.00 0.01 0.00 0.00 46.19 43.81 1wg6 s LEU 27 CO 0.05 0.38 -0.17 -1.61 1.01 0.00 0.00 176.35 176.01 1wg6 s GLU 28 N -1.20 3.07 -0.18 1.70 2.02 -1.26 -1.88 118.70 120.96 1wg6 s GLU 28 Ca 0.17 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1wg6 s GLU 28 Cb -0.12 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1wg6 s GLU 28 CO 0.07 -0.19 -0.19 0.42 0.02 0.00 0.00 175.26 175.39 1wg6 s ILE 29 N 1.28 2.12 0.44 -1.63 1.01 -0.09 -4.99 121.20 119.35 1wg6 s ILE 29 Ca 0.04 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 1wg6 s ILE 29 Cb -0.13 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1wg6 s ILE 29 CO -0.10 0.53 1.05 -2.16 0.00 0.00 0.00 174.94 174.25 1wg6 s PRO 30 N 1.30 3.98 -0.29 2.79 0.04 -1.26 -0.00 135.00 141.55 1wg6 s PRO 30 Ca 0.05 1.44 0.10 0.00 0.04 0.00 0.00 61.00 62.63 1wg6 s PRO 30 Cb -0.13 -2.32 0.47 0.00 0.04 0.00 0.00 34.50 32.56 1wg6 s PRO 30 CO -0.12 -0.29 1.17 1.28 0.04 0.00 0.00 177.00 179.07 1wg6 n LEU 31 N -0.52 4.25 0.34 -3.56 4.77 0.46 -4.71 117.00 118.03 1wg6 n LEU 31 Ca 0.07 -4.44 -0.13 0.00 -0.03 0.00 0.00 56.01 51.48 1wg6 n LEU 31 Cb 0.51 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1wg6 n LEU 31 CO 0.42 1.91 0.49 -0.55 -1.33 0.00 0.00 177.39 178.33 1wg6 h ASN 32 N 2.29 -0.73 0.20 -1.43 7.08 -1.91 0.35 115.58 121.43 1wg6 h ASN 32 Ca 0.27 0.03 -0.19 0.00 -3.08 0.00 0.00 56.30 53.32 1wg6 h ASN 32 Cb 1.46 0.19 -0.03 0.00 -2.08 0.00 0.00 38.32 37.85 1wg6 h ASN 32 CO 0.65 -0.50 -1.98 0.47 -2.08 0.00 0.00 177.43 173.99 1wg6 n ASP 33 N -4.44 0.24 -0.03 6.14 8.00 -1.26 -4.30 116.55 120.89 1wg6 n ASP 33 Ca -0.11 0.10 -0.15 0.00 0.71 0.00 0.00 54.79 55.34 1wg6 n ASP 33 Cb 0.34 1.11 -0.08 0.00 -0.02 0.00 0.00 41.12 42.47 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1wg6 h SER 34 N 0.00 0.59 -0.88 -2.24 0.87 -1.84 -3.20 113.55 106.84 1wg6 h SER 34 Ca -0.26 -0.62 0.37 0.00 -1.23 0.00 0.00 61.79 60.05 1wg6 h SER 34 Cb 1.64 -0.17 -0.16 0.00 -0.44 0.00 0.00 62.40 63.26 1wg6 h SER 34 CO 0.02 1.11 0.47 0.61 -0.53 0.00 0.00 176.83 178.52 1wg6 n GLY 35 N 0.64 -0.67 0.20 5.77 0.00 0.11 0.18 105.19 111.43 1wg6 n GLY 35 Ca -0.08 0.72 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 1wg6 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg6 n SER 36 N -5.00 -0.49 -0.03 1.61 7.64 -1.21 -2.13 113.62 114.00 1wg6 n SER 36 Ca 0.33 1.28 -0.07 0.00 1.01 0.00 0.00 58.87 61.42 1wg6 n SER 36 Cb 1.13 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.86 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 -3.12 1.58 0.00 -0.43 0.00 0.22 -5.09 120.51 113.67 1wg6 n ALA 37 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1wg6 n ALA 37 Cb 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.58 1.09 0.00 0.00 0.00 0.49 -4.90 105.19 103.45 1wg6 n GLY 38 Ca -0.20 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -4.30 117.00 117.19 1wg6 n LEU 39 Ca 0.00 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 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 1.78 3.18 -0.72 0.00 -1.26 -4.29 105.19 102.87 1wg6 n GLY 40 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1wg6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wg6 s VAL 41 N -2.00 1.06 -0.06 1.61 -7.23 -1.26 -4.19 120.40 108.32 1wg6 s VAL 41 Ca 0.00 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1wg6 s VAL 41 Cb 0.00 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 1wg6 s VAL 41 CO 0.00 -0.36 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.76 1wg6 s SER 42 N -2.05 4.24 0.23 4.85 0.15 -1.24 -5.07 113.70 114.81 1wg6 s SER 42 Ca 0.01 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.61 1wg6 s SER 42 Cb -0.07 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 1wg6 s SER 42 CO 0.02 0.33 -0.07 -0.76 1.20 0.00 0.00 173.24 173.96 1wg6 s LEU 43 N -0.65 3.02 -0.06 3.45 1.43 -1.26 -0.80 118.68 123.82 1wg6 s LEU 43 Ca 0.10 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1wg6 s LEU 43 Cb -0.11 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1wg6 s LEU 43 CO 0.01 0.05 -0.20 -1.59 0.23 0.00 0.00 176.35 174.85 1wg6 s LYS 44 N -3.25 2.60 0.01 1.70 -2.85 0.51 -4.69 119.74 113.77 1wg6 s LYS 44 Ca 0.28 -0.82 -0.20 0.00 -1.00 0.00 0.00 55.97 54.23 1wg6 s LYS 44 Cb -0.07 -2.28 -0.06 0.00 -2.06 0.00 0.00 37.83 33.37 1wg6 s LYS 44 CO 0.17 0.45 0.58 0.20 0.10 0.00 0.00 175.35 176.85 1wg6 s GLY 45 N -0.31 2.61 -0.08 0.59 0.00 -1.26 -0.94 107.32 107.94 1wg6 s GLY 45 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.78 1wg6 s GLY 45 CO 0.02 0.68 -0.19 0.21 0.00 0.00 0.00 173.10 173.83 1wg6 s ASN 46 N -0.35 3.56 0.06 1.64 2.47 -1.23 -4.98 114.94 116.11 1wg6 s ASN 46 Ca 0.30 -0.38 0.04 0.00 0.42 0.00 0.00 52.86 53.24 1wg6 s ASN 46 Cb -0.18 -1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 38.52 1wg6 s ASN 46 CO 0.17 0.25 -0.13 -0.75 -3.72 0.00 0.00 177.10 172.92 1wg6 s LYS 47 N -0.16 0.77 -0.09 0.43 2.20 -1.26 -2.45 119.74 119.19 1wg6 s LYS 47 Ca -0.02 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.75 1wg6 s LYS 47 Cb -0.14 -0.73 -0.01 0.00 -1.51 0.00 0.00 37.83 35.44 1wg6 s LYS 47 CO 0.04 0.16 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.86 1wg6 s SER 48 N -1.59 3.42 -0.02 1.43 0.01 -0.92 -4.92 113.70 111.12 1wg6 s SER 48 Ca -0.03 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 1wg6 s SER 48 Cb -0.10 -1.20 -0.30 0.00 0.21 0.00 0.00 66.02 64.64 1wg6 s SER 48 CO 0.02 0.21 0.76 -0.09 0.41 0.00 0.00 173.24 174.55 1wg6 h ARG 49 N 6.33 0.34 0.24 12.44 2.43 -1.94 -1.27 114.38 132.95 1wg6 h ARG 49 Ca -0.28 -0.58 -0.01 0.00 -0.81 0.00 0.00 59.98 58.30 1wg6 h ARG 49 Cb 1.20 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1wg6 h ARG 49 CO 0.50 1.23 -0.23 0.93 -1.51 0.00 0.00 179.97 180.89 1wg6 h GLU 50 N 0.09 -0.45 0.00 0.20 5.08 -1.97 -2.70 114.58 114.83 1wg6 h GLU 50 Ca -0.30 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1wg6 h GLU 50 Cb 2.07 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.42 1wg6 h GLU 50 CO 0.18 -0.30 0.00 1.79 -1.00 0.00 0.00 179.01 179.68 1wg6 h THR 51 N -0.46 0.00 -4.59 1.13 1.35 -2.01 -3.46 112.91 104.86 1wg6 h THR 51 Ca -0.03 -0.64 -0.41 0.00 -0.55 0.00 0.00 66.41 64.78 1wg6 h THR 51 Cb 0.40 1.60 0.05 0.00 -1.73 0.00 0.00 68.15 68.47 1wg6 h THR 51 CO -0.02 0.00 -0.61 0.61 -0.25 0.00 0.00 175.52 175.25 1wg6 n GLY 52 N 0.63 -0.52 3.55 5.82 0.00 -0.50 -4.98 105.19 109.19 1wg6 n GLY 52 Ca 0.03 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.17 1.85 -0.47 2.61 2.01 -1.10 -4.97 115.64 112.40 1wg6 s THR 53 Ca 0.32 -2.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.08 1wg6 s THR 53 Cb -0.14 -2.84 0.04 0.00 0.01 0.00 0.00 72.50 69.57 1wg6 s THR 53 CO 0.40 -0.07 0.59 1.51 -0.69 0.00 0.00 174.62 176.36 1wg6 s ASP 54 N -3.62 6.24 0.51 3.53 -4.77 -1.26 -2.16 116.67 115.14 1wg6 s ASP 54 Ca 0.34 -0.74 0.26 0.00 -3.30 0.00 0.00 52.55 49.12 1wg6 s ASP 54 Cb 0.08 -2.28 1.36 0.00 -1.09 0.00 0.00 42.92 40.98 1wg6 s ASP 54 CO 0.17 -0.80 1.92 -0.07 0.70 0.00 0.00 175.17 177.09 1wg6 h LEU 55 N 9.56 0.10 0.00 2.11 3.38 -1.83 -3.48 115.31 125.15 1wg6 h LEU 55 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wg6 h LEU 55 Cb 1.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1wg6 h LEU 55 CO 0.91 0.04 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1wg6 n GLY 56 N -1.64 0.16 3.18 0.83 0.00 -1.24 -4.96 105.19 101.52 1wg6 n GLY 56 Ca 0.15 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.44 1.27 -0.04 -0.61 -1.09 -1.26 -3.55 121.20 115.48 1wg6 s ILE 57 Ca 0.00 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.24 1wg6 s ILE 57 Cb 0.00 -1.15 0.03 0.00 -1.58 0.00 0.00 42.46 39.75 1wg6 s ILE 57 CO 0.00 -0.02 0.09 -0.36 -1.23 0.00 0.00 174.94 173.41 1wg6 s PHE 58 N -0.97 -0.07 0.45 3.97 0.40 -0.11 -0.99 117.98 120.66 1wg6 s PHE 58 Ca 0.02 0.28 -0.22 0.00 -0.60 0.00 0.00 56.93 56.41 1wg6 s PHE 58 Cb -0.09 -0.11 -0.10 0.00 0.51 0.00 0.00 43.02 43.23 1wg6 s PHE 58 CO 0.02 -0.11 0.80 -0.89 0.70 0.00 0.00 175.22 175.75 1wg6 n ILE 59 N 3.92 2.34 -0.12 0.64 5.41 -1.16 0.19 119.36 130.58 1wg6 n ILE 59 Ca -0.24 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 62.80 1wg6 n ILE 59 Cb 0.53 -0.90 -0.07 0.00 -0.71 0.00 0.00 39.64 38.49 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 0.15 0.56 -3.63 0.38 4.81 0.02 0.19 118.16 120.65 1wg6 n LYS 60 Ca 0.11 0.24 -0.05 0.00 -0.87 0.00 0.00 58.31 57.74 1wg6 n LYS 60 Cb 0.41 -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 -1.12 1.17 0.00 0.00 177.40 177.45 1wg6 s SER 61 N -6.89 -0.16 0.01 3.14 0.01 -1.16 -4.57 113.70 104.08 1wg6 s SER 61 Ca -0.35 0.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.95 1wg6 s SER 61 Cb 0.11 0.23 -0.06 0.00 0.21 0.00 0.00 66.02 66.51 1wg6 s SER 61 CO 0.46 -0.10 0.61 -0.63 0.41 0.00 0.00 173.24 174.00 1wg6 s ILE 62 N -0.48 4.86 -0.51 1.44 1.09 -1.26 -3.71 121.20 122.62 1wg6 s ILE 62 Ca 0.06 1.29 -0.21 0.00 -1.10 0.00 0.00 60.65 60.69 1wg6 s ILE 62 Cb -0.03 -3.95 0.04 0.00 -1.06 0.00 0.00 42.46 37.46 1wg6 s ILE 62 CO -0.09 0.43 0.74 -0.63 -0.10 0.00 0.00 174.94 175.29 1wg6 s ILE 63 N -0.31 4.70 1.22 2.92 1.09 -1.26 -4.97 121.20 124.59 1wg6 s ILE 63 Ca 0.32 -0.09 -0.20 0.00 -1.10 0.00 0.00 60.65 59.58 1wg6 s ILE 63 Cb -0.19 -4.36 0.31 0.00 -1.06 0.00 0.00 42.46 37.16 1wg6 s ILE 63 CO 0.18 -0.86 0.69 1.41 -0.10 0.00 0.00 174.94 176.26 1wg6 n HIS 64 N 6.63 -3.35 -3.12 3.97 8.25 -1.26 -3.46 115.22 122.87 1wg6 n HIS 64 Ca -0.03 -0.59 -0.19 0.00 -0.26 0.00 0.00 57.72 56.66 1wg6 n HIS 64 Cb 0.47 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 30.44 1wg6 n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wg6 n GLY 65 N -4.36 -0.48 0.00 -1.41 0.00 -1.26 -4.85 105.19 92.83 1wg6 n GLY 65 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.98 5.40 0.08 -0.02 0.00 -1.22 -5.04 105.19 103.41 1wg6 n GLY 66 Ca -0.03 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 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 0.11 -0.70 4.61 0.00 -1.82 -3.34 119.26 119.12 1wg6 h ALA 67 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 54.91 54.14 1wg6 h ALA 67 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wg6 h ALA 67 CO 0.00 0.30 0.46 0.00 0.00 0.00 0.00 179.25 180.01 1wg6 h ALA 68 N -0.21 1.60 -0.79 0.00 0.00 -1.84 -2.37 119.26 115.66 1wg6 h ALA 68 Ca -0.15 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.00 1wg6 h ALA 68 Cb 1.13 -0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 1wg6 h ALA 68 CO -0.09 0.32 0.21 0.34 0.00 0.00 0.00 179.25 180.03 1wg6 n PHE 69 N -4.46 0.70 0.00 0.00 7.35 -1.25 0.18 117.46 119.99 1wg6 n PHE 69 Ca 0.09 0.95 -0.10 0.00 -0.76 0.00 0.00 57.45 57.63 1wg6 n PHE 69 Cb 0.13 -1.22 -0.03 0.00 0.35 0.00 0.00 39.48 38.71 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 -0.33 0.00 -4.13 1.57 -1.62 0.13 116.57 112.19 1wg6 h LYS 70 Ca 0.57 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1wg6 h LYS 70 Cb 1.36 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1wg6 h LYS 70 CO -0.68 -0.22 -0.03 -3.47 -0.57 0.00 0.00 179.45 174.48 1wg6 n ASP 71 N -5.39 0.50 -0.42 0.86 -0.08 0.48 -3.78 116.55 108.73 1wg6 n ASP 71 Ca -0.03 0.52 0.38 0.00 -1.51 0.00 0.00 54.79 54.16 1wg6 n ASP 71 Cb 0.30 -0.64 0.59 0.00 2.34 0.00 0.00 41.12 43.71 1wg6 n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg6 n GLY 72 N 1.39 -0.85 0.61 0.27 0.00 0.49 -0.41 105.19 106.69 1wg6 n GLY 72 Ca 0.06 0.50 0.46 0.00 0.00 0.00 0.00 46.02 47.04 1wg6 n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wg6 n ARG 73 N -3.50 -0.00 -0.47 1.61 1.85 -1.25 -4.32 116.66 110.57 1wg6 n ARG 73 Ca 0.32 0.97 -0.30 0.00 -1.00 0.00 0.00 57.85 57.83 1wg6 n ARG 73 Cb 1.72 -2.20 0.28 0.00 -1.05 0.00 0.00 32.46 31.21 1wg6 n ARG 73 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wg6 s LEU 74 N -7.50 -0.70 -0.07 2.89 1.43 0.45 -5.04 118.68 110.15 1wg6 s LEU 74 Ca -0.05 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.00 1wg6 s LEU 74 Cb 0.24 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1wg6 s LEU 74 CO 0.78 -5.11 -0.18 -0.13 0.23 0.00 0.00 176.35 171.94 1wg6 s ARG 75 N -5.04 2.15 0.98 1.70 1.81 -1.26 -4.98 118.95 114.31 1wg6 s ARG 75 Ca 0.69 -0.65 -0.18 0.00 -1.72 0.00 0.00 55.73 53.88 1wg6 s ARG 75 Cb -0.14 -1.76 0.02 0.00 -0.45 0.00 0.00 34.95 32.63 1wg6 s ARG 75 CO 0.59 0.17 -0.36 0.00 -0.68 0.00 0.00 175.30 175.02 1wg6 n MET 76 N 3.43 -1.15 -1.94 3.54 0.00 -1.26 -3.54 117.12 116.19 1wg6 n MET 76 Ca -0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 57.70 57.04 1wg6 n MET 76 Cb 0.52 -1.34 -0.02 0.00 0.00 0.00 0.00 33.22 32.38 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 0.51 -4.27 -4.44 3.17 3.02 0.51 -4.86 115.26 108.90 1wg6 n ASN 77 Ca 0.01 0.11 -0.44 0.00 -0.03 0.00 0.00 54.58 54.23 1wg6 n ASN 77 Cb 0.51 -3.27 -0.04 0.00 -0.61 0.00 0.00 39.78 36.37 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wg6 s ASP 78 N -2.57 6.32 0.30 6.41 1.01 -1.23 -4.70 116.67 122.21 1wg6 s ASP 78 Ca 0.00 -1.41 -0.28 0.00 0.71 0.00 0.00 52.55 51.57 1wg6 s ASP 78 Cb 0.00 -2.39 -0.14 0.00 1.01 0.00 0.00 42.92 41.41 1wg6 s ASP 78 CO 0.00 -1.26 1.11 1.67 0.21 0.00 0.00 175.17 176.90 1wg6 n GLN 79 N 7.07 1.61 -3.55 8.23 7.27 -1.26 -2.96 117.38 133.79 1wg6 n GLN 79 Ca 0.04 0.56 -0.41 0.00 0.07 0.00 0.00 57.00 57.26 1wg6 n GLN 79 Cb 0.46 -2.01 -0.11 0.00 2.41 0.00 0.00 30.24 30.99 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 -0.01 4.67 0.00 1.69 1.02 -0.16 -3.77 118.68 122.12 1wg6 s LEU 80 Ca 0.58 -0.73 0.20 0.00 0.02 0.00 0.00 54.13 54.20 1wg6 s LEU 80 Cb -0.66 -2.09 0.53 0.00 0.02 0.00 0.00 46.19 43.99 1wg6 s LEU 80 CO 0.60 -0.33 1.44 2.30 0.02 0.00 0.00 176.35 180.38 1wg6 n ILE 81 N 5.07 0.55 0.00 -0.59 -5.35 0.13 -4.37 119.36 114.79 1wg6 n ILE 81 Ca -0.12 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 1wg6 n ILE 81 Cb 0.48 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.03 0.00 -3.66 -1.28 0.00 -1.25 -4.48 120.51 110.87 1wg6 n ALA 82 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1wg6 n ALA 82 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.57 -1.68 0.00 0.11 -0.05 -2.37 120.40 113.85 1wg6 s VAL 83 Ca 0.00 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1wg6 s VAL 83 Cb 0.00 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1wg6 s VAL 83 CO 0.00 0.07 0.00 -3.20 -3.33 0.00 0.00 175.10 168.64 1wg6 n ASN 84 N 5.25 -4.91 0.00 3.54 2.85 -0.98 0.84 115.26 121.86 1wg6 n ASN 84 Ca -0.10 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 1wg6 n ASN 84 Cb 0.50 -4.17 0.00 0.00 1.24 0.00 0.00 39.78 37.35 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 -0.17 2.85 3.75 8.20 0.00 -1.26 -4.97 105.19 113.58 1wg6 n GLY 85 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1wg6 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg6 s GLU 86 N -0.86 1.86 -0.12 1.61 0.41 0.25 -5.02 118.70 116.82 1wg6 s GLU 86 Ca 0.00 1.08 -0.06 0.00 -0.41 0.00 0.00 54.97 55.58 1wg6 s GLU 86 Cb 0.00 -1.86 -0.04 0.00 -1.78 0.00 0.00 34.13 30.45 1wg6 s GLU 86 CO 0.00 -1.90 0.09 -0.08 -0.49 0.00 0.00 175.26 172.89 1wg6 s THR 87 N -2.90 5.10 -0.07 3.63 -1.32 -1.26 -0.87 115.64 117.96 1wg6 s THR 87 Ca 0.62 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 61.18 1wg6 s THR 87 Cb -0.18 -3.22 -0.05 0.00 -1.51 0.00 0.00 72.50 67.54 1wg6 s THR 87 CO 0.56 0.59 -0.05 0.18 -2.21 0.00 0.00 174.62 173.70 1wg6 n LEU 88 N 2.27 2.35 -0.19 9.08 4.77 -1.26 -4.42 117.00 129.61 1wg6 n LEU 88 Ca -0.19 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.77 1wg6 n LEU 88 Cb 0.54 -0.17 0.26 0.00 -2.33 0.00 0.00 43.42 41.72 1wg6 n LEU 88 CO 0.31 0.52 1.22 -0.07 -1.33 0.00 0.00 177.39 178.04 1wg6 h LEU 89 N 0.00 0.81 -1.36 2.23 3.38 -1.84 -0.38 115.31 118.15 1wg6 h LEU 89 Ca -0.16 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1wg6 h LEU 89 Cb 1.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1wg6 h LEU 89 CO -0.02 0.60 -0.30 1.23 0.09 0.00 0.00 178.44 180.04 1wg6 h GLY 90 N 0.96 0.00 0.00 0.83 0.00 -1.96 -3.43 103.07 99.47 1wg6 h GLY 90 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1wg6 h GLY 90 CO -0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.77 1wg6 n LYS 91 N -3.86 3.58 0.00 4.80 5.02 -0.15 -5.13 118.16 122.42 1wg6 n LYS 91 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1wg6 n LYS 91 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1wg6 n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wg6 n SER 92 N 0.00 0.00 -0.06 4.39 2.88 -1.24 -4.96 113.62 114.63 1wg6 n SER 92 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1wg6 n SER 92 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wg6 n SER 92 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wg6 h ASN 93 N 0.00 0.00 0.41 -3.46 4.21 -1.91 -3.17 115.58 111.66 1wg6 h ASN 93 Ca 0.00 -0.51 -0.02 0.00 1.21 0.00 0.00 56.30 56.98 1wg6 h ASN 93 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1wg6 h ASN 93 CO 0.00 0.80 -0.19 1.12 -1.29 0.00 0.00 177.43 177.86 1wg6 h HIS 94 N -1.00 -0.50 -0.05 1.19 2.07 -1.98 -2.72 115.15 112.16 1wg6 h HIS 94 Ca -0.02 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1wg6 h HIS 94 Cb 0.57 0.17 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 1wg6 h HIS 94 CO 0.13 -0.31 -0.03 0.39 -3.07 0.00 0.00 177.93 175.04 1wg6 n GLU 95 N -3.79 -0.02 -0.14 5.12 1.02 -1.26 0.87 120.64 122.44 1wg6 n GLU 95 Ca -0.07 0.83 -0.04 0.00 -0.02 0.00 0.00 57.16 57.86 1wg6 n GLU 95 Cb 0.21 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.84 -0.21 -0.30 0.62 0.00 -1.20 0.13 120.51 116.73 1wg6 n ALA 96 Ca 0.00 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1wg6 n ALA 96 Cb 0.01 0.22 0.28 0.00 0.00 0.00 0.00 19.45 19.97 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 0.35 0.00 0.00 2.86 -0.65 1.62 114.93 119.11 1wg6 h MET 97 Ca 0.05 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1wg6 h MET 97 Cb 0.13 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1wg6 h MET 97 CO -0.30 0.23 -0.01 1.05 1.06 0.00 0.00 176.91 178.94 1wg6 h GLU 98 N 0.36 0.00 0.00 1.72 -0.00 0.76 -2.86 114.58 114.57 1wg6 h GLU 98 Ca 0.53 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 59.68 1wg6 h GLU 98 Cb 1.01 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.72 1wg6 h GLU 98 CO -0.54 0.01 -1.29 2.41 -0.00 0.00 0.00 179.01 179.61 1wg6 n THR 99 N -3.20 1.52 0.00 -1.06 -1.04 0.51 -3.66 114.28 107.34 1wg6 n THR 99 Ca -0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1wg6 n THR 99 Cb 0.14 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.56 1wg6 n THR 99 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1wg6 n LEU 100 N -4.44 0.00 -0.21 -4.42 7.94 0.14 0.18 117.00 116.19 1wg6 n LEU 100 Ca -0.31 0.93 0.30 0.00 -1.11 0.00 0.00 56.01 55.83 1wg6 n LEU 100 Cb 0.64 -0.44 0.73 0.00 0.53 0.00 0.00 43.42 44.88 1wg6 n LEU 100 CO 0.16 -0.44 1.28 0.08 -1.11 0.00 0.00 177.39 177.35 1wg6 h ARG 101 N 0.00 0.00 0.73 1.96 0.11 -1.74 -0.46 114.38 114.97 1wg6 h ARG 101 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1wg6 h ARG 101 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1wg6 h ARG 101 CO 0.00 0.00 -0.35 -0.09 0.10 0.00 0.00 179.97 179.63 1wg6 h ARG 102 N 0.00 -0.95 -0.81 0.08 2.43 0.17 -2.72 114.38 112.59 1wg6 h ARG 102 Ca 0.46 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.86 1wg6 h ARG 102 Cb 1.87 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 31.58 1wg6 h ARG 102 CO -0.00 -0.62 0.54 0.66 -1.51 0.00 0.00 179.97 179.03 1wg6 h SER 103 N -1.23 0.40 -0.49 -3.80 4.64 0.16 1.64 113.55 114.88 1wg6 h SER 103 Ca -0.10 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1wg6 h SER 103 Cb 0.77 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1wg6 h SER 103 CO 0.17 0.19 0.32 0.24 -0.87 0.00 0.00 176.83 176.88 1wg6 h MET 104 N 0.42 0.56 0.04 4.77 2.86 -1.03 1.75 114.93 124.29 1wg6 h MET 104 Ca 0.40 -0.03 -0.38 0.00 -2.06 0.00 0.00 59.70 57.63 1wg6 h MET 104 Cb 0.95 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 1wg6 h MET 104 CO -0.14 0.37 -2.28 0.43 1.06 0.00 0.00 176.91 176.35 1wg6 n SER 105 N -4.47 2.01 0.06 1.22 7.64 0.93 -3.17 113.62 117.85 1wg6 n SER 105 Ca 0.05 0.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 1wg6 n SER 105 Cb 0.12 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.15 -0.24 0.00 1.43 -1.53 0.23 -1.88 114.93 112.79 1wg6 h MET 106 Ca -0.54 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 55.74 1wg6 h MET 106 Cb 1.87 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.98 1wg6 h MET 106 CO -0.09 -0.16 0.00 0.39 0.14 0.00 0.00 176.91 177.19 1wg6 n GLU 107 N -4.65 0.17 0.00 0.39 -0.58 0.55 -1.73 120.64 114.80 1wg6 n GLU 107 Ca -0.03 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.19 1wg6 n GLU 107 Cb 0.10 -1.81 0.16 0.00 -0.57 0.00 0.00 31.44 29.32 1wg6 n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wg6 n GLY 108 N 0.18 -0.35 0.08 0.62 0.00 0.14 -2.42 105.19 103.44 1wg6 n GLY 108 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.44 1.83 0.03 1.61 3.02 -0.70 -2.55 115.26 118.06 1wg6 n ASN 109 Ca 0.10 0.55 -0.19 0.00 -0.03 0.00 0.00 54.58 55.01 1wg6 n ASN 109 Cb 0.40 -0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 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 1.33 0.00 2.41 -2.65 -1.72 -3.39 117.51 112.49 1wg6 h ILE 110 Ca -0.15 -2.19 0.00 0.00 1.03 0.00 0.00 64.86 63.55 1wg6 h ILE 110 Cb 0.83 2.47 0.00 0.00 -2.05 0.00 0.00 36.82 38.08 1wg6 h ILE 110 CO -0.09 0.66 0.00 -1.14 0.03 0.00 0.00 178.15 177.62 1wg6 n ARG 111 N -3.99 0.00 0.00 0.16 3.00 -1.01 -5.03 116.66 109.79 1wg6 n ARG 111 Ca -0.11 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1wg6 n ARG 111 Cb 0.81 -0.82 0.00 0.00 0.00 0.00 0.00 32.46 32.45 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 2.00 1.47 3.79 5.14 0.00 -1.06 -4.97 105.19 111.57 1wg6 n GLY 112 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.03 1.98 0.05 1.61 0.23 -1.25 0.17 119.30 122.05 1wg6 s MET 113 Ca 0.00 -1.25 0.02 0.00 -1.03 0.00 0.00 55.69 53.42 1wg6 s MET 113 Cb 0.00 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 1wg6 s MET 113 CO 0.00 -0.91 -0.07 -1.50 -2.03 0.00 0.00 175.02 170.51 1wg6 s ILE 114 N -3.16 0.51 0.16 3.16 2.07 1.00 -4.03 121.20 120.90 1wg6 s ILE 114 Ca 0.15 -1.15 0.09 0.00 -1.41 0.00 0.00 60.65 58.33 1wg6 s ILE 114 Cb -0.05 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 1wg6 s ILE 114 CO 0.10 -0.45 -0.14 -1.58 -1.91 0.00 0.00 174.94 170.96 1wg6 s GLN 115 N -1.80 1.91 -0.08 3.50 0.74 -1.26 -0.91 119.66 121.75 1wg6 s GLN 115 Ca -0.08 -1.26 0.00 0.00 0.05 0.00 0.00 55.36 54.07 1wg6 s GLN 115 Cb -0.08 -2.11 0.02 0.00 1.10 0.00 0.00 33.01 31.94 1wg6 s GLN 115 CO -0.00 0.45 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.62 1wg6 s LEU 116 N -2.56 1.16 -0.33 3.68 1.43 -0.79 -2.31 118.68 118.96 1wg6 s LEU 116 Ca 0.22 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1wg6 s LEU 116 Cb -0.09 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.46 1wg6 s LEU 116 CO 0.13 -0.10 0.16 -0.69 0.23 0.00 0.00 176.35 176.08 1wg6 s VAL 117 N 1.43 4.49 0.33 -1.59 1.01 -1.00 -2.61 120.40 122.46 1wg6 s VAL 117 Ca -0.02 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1wg6 s VAL 117 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1wg6 s VAL 117 CO -0.04 -0.03 0.20 0.27 0.00 0.00 0.00 175.10 175.50 1wg6 s ILE 118 N 1.58 3.36 -0.02 2.22 -5.25 -1.16 0.17 121.20 122.09 1wg6 s ILE 118 Ca 0.03 -1.55 -0.00 0.00 -0.99 0.00 0.00 60.65 58.14 1wg6 s ILE 118 Cb -0.18 -3.09 0.03 0.00 2.95 0.00 0.00 42.46 42.18 1wg6 s ILE 118 CO 0.06 -0.20 0.03 -0.22 -1.79 0.00 0.00 174.94 172.82 1wg6 s LEU 119 N -3.90 1.00 -0.13 0.37 1.98 -1.25 -3.03 118.68 113.73 1wg6 s LEU 119 Ca 0.38 0.03 -0.00 0.00 -2.89 0.00 0.00 54.13 51.65 1wg6 s LEU 119 Cb -0.04 -0.10 -0.01 0.00 0.66 0.00 0.00 46.19 46.69 1wg6 s LEU 119 CO 0.24 -0.14 -0.13 -0.60 -1.89 0.00 0.00 176.35 173.84 1wg6 s ARG 120 N 1.17 3.38 0.24 1.98 3.52 -0.29 -4.71 118.95 124.23 1wg6 s ARG 120 Ca -0.08 -0.69 0.05 0.00 -0.13 0.00 0.00 55.73 54.89 1wg6 s ARG 120 Cb -0.13 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1wg6 s ARG 120 CO -0.03 0.20 0.35 -0.98 -0.81 0.00 0.00 175.30 174.03 1wg6 s ARG 121 N 0.39 3.41 0.02 5.12 1.70 -1.26 -3.38 118.95 124.95 1wg6 s ARG 121 Ca -0.10 -0.78 -0.05 0.00 -0.47 0.00 0.00 55.73 54.33 1wg6 s ARG 121 Cb -0.16 -2.87 -0.02 0.00 -0.57 0.00 0.00 34.95 31.33 1wg6 s ARG 121 CO 0.05 0.43 1.08 0.77 -1.08 0.00 0.00 175.30 176.55 1wg6 h SER 122 N 1.19 -0.27 0.00 -2.89 0.02 -1.99 -3.47 113.55 106.15 1wg6 h SER 122 Ca -0.52 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1wg6 h SER 122 Cb 1.23 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1wg6 h SER 122 CO 0.61 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 1wg6 n GLY 123 N -1.06 -0.40 0.00 -3.77 0.00 -1.26 -4.94 105.19 93.76 1wg6 n GLY 123 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.75 -0.03 1.61 -0.04 -1.26 -3.62 135.00 132.41 1wg6 n PRO 124 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1wg6 n PRO 124 Cb 0.00 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 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 -0.93 1.45 -3.82 3.54 7.64 -1.26 -5.12 113.62 115.12 1wg6 n SER 125 Ca 0.15 0.22 -0.08 0.00 1.01 0.00 0.00 58.87 60.18 1wg6 n SER 125 Cb 0.07 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 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 -5.99 -0.26 0.00 6.43 0.01 -1.24 -5.30 113.70 107.35 1wg6 s SER 126 Ca -0.15 -0.58 0.29 0.00 1.31 0.00 0.00 55.95 56.82 1wg6 s SER 126 Cb 0.03 0.67 1.34 0.00 0.21 0.00 0.00 66.02 68.27 1wg6 s SER 126 CO 0.21 -1.24 1.91 0.61 0.41 0.00 0.00 173.24 175.14