#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ww6 n THR 3 N 0.00 -0.21 -0.88 4.28 -2.24 -1.26 -5.13 114.28 108.85 1ww6 n THR 3 Ca 0.00 -4.27 -0.29 0.00 -2.27 0.00 0.00 64.05 57.22 1ww6 n THR 3 Cb 0.00 -0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.13 1ww6 n THR 3 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ww6 s SER 4 N -2.21 2.48 0.03 3.42 0.01 -1.25 -4.89 113.70 111.29 1ww6 s SER 4 Ca 0.38 1.64 0.02 0.00 1.31 0.00 0.00 55.95 59.29 1ww6 s SER 4 Cb 0.33 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 1ww6 s SER 4 CO -0.08 -3.29 -0.06 0.00 0.41 0.00 0.00 173.24 170.22 1ww6 s ALA 5 N -2.72 0.45 -0.19 1.44 0.00 0.23 -4.99 121.76 115.97 1ww6 s ALA 5 Ca 0.66 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1ww6 s ALA 5 Cb -0.21 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1ww6 s ALA 5 CO 0.60 -0.04 -0.12 0.08 0.00 0.00 0.00 175.76 176.28 1ww6 s VAL 6 N -1.25 2.79 -0.04 0.00 1.01 -1.26 -2.20 120.40 119.45 1ww6 s VAL 6 Ca -0.10 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1ww6 s VAL 6 Cb -0.09 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1ww6 s VAL 6 CO 0.00 0.48 -0.21 0.20 0.00 0.00 0.00 175.10 175.57 1ww6 s ASN 7 N 1.27 2.60 -0.07 3.32 -0.87 -1.00 -5.00 114.94 115.19 1ww6 s ASN 7 Ca 0.03 -0.42 0.04 0.00 -1.57 0.00 0.00 52.86 50.95 1ww6 s ASN 7 Cb -0.14 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.25 40.53 1ww6 s ASN 7 CO -0.06 0.23 -0.20 -0.63 -2.57 0.00 0.00 177.10 173.87 1ww6 s ILE 8 N -0.25 2.47 0.04 0.60 1.01 -1.26 -1.69 121.20 122.12 1ww6 s ILE 8 Ca 0.01 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1ww6 s ILE 8 Cb -0.11 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1ww6 s ILE 8 CO 0.01 0.57 -0.12 -0.31 0.00 0.00 0.00 174.94 175.09 1ww6 s TYR 9 N -0.16 1.04 -0.24 3.97 2.02 0.78 -4.99 117.35 119.78 1ww6 s TYR 9 Ca -0.03 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 1ww6 s TYR 9 Cb -0.14 -0.62 -0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1ww6 s TYR 9 CO 0.04 0.01 -0.01 -0.80 -1.57 0.00 0.00 175.55 173.22 1ww6 s ASN 10 N -1.24 4.52 -0.29 2.29 0.01 -1.26 -0.54 114.94 118.43 1ww6 s ASN 10 Ca -0.01 -0.48 -0.03 0.00 -0.71 0.00 0.00 52.86 51.63 1ww6 s ASN 10 Cb -0.08 -1.77 0.04 0.00 0.41 0.00 0.00 41.25 39.84 1ww6 s ASN 10 CO 0.01 -0.06 0.00 -0.63 -1.51 0.00 0.00 177.10 174.91 1ww6 s ILE 11 N 1.48 3.15 0.35 0.60 1.01 0.46 -4.96 121.20 123.30 1ww6 s ILE 11 Ca 0.05 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 1ww6 s ILE 11 Cb -0.15 -2.73 -0.10 0.00 0.01 0.00 0.00 42.46 39.49 1ww6 s ILE 11 CO -0.02 -0.01 0.94 -0.44 0.00 0.00 0.00 174.94 175.41 1ww6 s SER 12 N 1.31 7.20 0.25 3.58 0.01 -1.26 -0.79 113.70 124.01 1ww6 s SER 12 Ca -0.03 1.78 -0.31 0.00 1.31 0.00 0.00 55.95 58.70 1ww6 s SER 12 Cb -0.19 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.34 1ww6 s SER 12 CO -0.01 -0.16 1.28 0.00 0.41 0.00 0.00 173.24 174.77 1ww6 n ALA 13 N 0.18 0.56 -0.58 1.44 0.00 -0.32 -1.34 120.51 120.46 1ww6 n ALA 13 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1ww6 n ALA 13 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1ww6 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ww6 n GLY 14 N 1.79 0.88 3.75 0.00 0.00 0.30 -4.97 105.19 106.95 1ww6 n GLY 14 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1ww6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww6 s ALA 15 N -3.20 3.58 0.03 4.61 0.00 -0.45 -4.94 121.76 121.39 1ww6 s ALA 15 Ca 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 51.96 50.16 1ww6 s ALA 15 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1ww6 s ALA 15 CO 0.00 -0.02 -0.18 -1.12 0.00 0.00 0.00 175.76 174.44 1ww6 s SER 16 N -3.89 2.10 0.05 0.00 0.01 -1.26 -1.94 113.70 108.77 1ww6 s SER 16 Ca 0.39 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.28 1ww6 s SER 16 Cb -0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 1ww6 s SER 16 CO 0.23 0.14 -0.21 0.68 0.41 0.00 0.00 173.24 174.49 1ww6 s VAL 17 N -0.70 1.69 -0.12 3.43 -7.23 0.50 -4.96 120.40 113.02 1ww6 s VAL 17 Ca 0.06 -1.22 -0.20 0.00 -1.81 0.00 0.00 61.98 58.80 1ww6 s VAL 17 Cb -0.08 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1ww6 s VAL 17 CO 0.01 0.20 0.55 -1.81 -0.31 0.00 0.00 175.10 173.74 1ww6 s ASP 18 N -1.21 6.75 0.08 4.85 1.01 -1.26 -1.74 116.67 125.15 1ww6 s ASP 18 Ca 0.08 0.90 -0.31 0.00 0.71 0.00 0.00 52.55 53.93 1ww6 s ASP 18 Cb -0.09 -2.33 -0.06 0.00 1.01 0.00 0.00 42.92 41.45 1ww6 s ASP 18 CO 0.02 -0.07 1.26 -0.76 0.21 0.00 0.00 175.17 175.82 1ww6 s LEU 19 N 0.88 4.37 0.50 1.23 1.43 0.10 -4.88 118.68 122.32 1ww6 s LEU 19 Ca 0.29 2.12 0.26 0.00 -1.03 0.00 0.00 54.13 55.77 1ww6 s LEU 19 Cb -0.16 -3.58 1.28 0.00 0.03 0.00 0.00 46.19 43.76 1ww6 s LEU 19 CO 0.12 -0.52 1.99 0.00 0.23 0.00 0.00 176.35 178.17 1ww6 h ALA 20 N 6.73 1.19 -3.49 4.21 0.00 -1.96 -3.41 119.26 122.53 1ww6 h ALA 20 Ca -0.42 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.00 1ww6 h ALA 20 Cb 1.21 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.64 1ww6 h ALA 20 CO 0.82 0.20 -0.75 0.00 0.00 0.00 0.00 179.25 179.52 1ww6 s ALA 21 N -4.01 0.37 0.53 0.00 0.00 -1.26 -5.14 121.76 112.25 1ww6 s ALA 21 Ca -0.02 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 1ww6 s ALA 21 Cb 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 1ww6 s ALA 21 CO 0.60 -0.07 1.16 -2.14 0.00 0.00 0.00 175.76 175.31 1ww6 s PRO 22 N 1.02 3.37 -0.26 0.00 0.02 -1.26 -4.98 135.00 132.91 1ww6 s PRO 22 Ca -0.10 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 62.53 1ww6 s PRO 22 Cb -0.14 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1ww6 s PRO 22 CO -0.01 -0.86 0.14 0.08 -0.33 0.00 0.00 177.00 176.01 1ww6 s VAL 23 N -1.68 4.94 0.00 3.83 1.01 -0.45 -4.85 120.40 123.20 1ww6 s VAL 23 Ca 0.72 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1ww6 s VAL 23 Cb -0.27 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1ww6 s VAL 23 CO 0.30 0.30 0.00 1.07 0.00 0.00 0.00 175.10 176.77 1ww6 n THR 24 N 4.85 0.00 -1.68 3.92 5.66 -1.26 -0.69 114.28 125.08 1ww6 n THR 24 Ca -0.15 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.36 1ww6 n THR 24 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1ww6 n THR 24 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ww6 n THR 25 N 0.00 0.35 0.00 1.09 -1.04 -1.26 -1.08 114.28 112.33 1ww6 n THR 25 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ww6 n THR 25 Cb 0.00 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 1ww6 n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ww6 n GLY 26 N 3.97 2.51 3.92 3.41 0.00 0.53 -4.62 105.19 114.91 1ww6 n GLY 26 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1ww6 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ww6 s ASP 27 N -1.39 4.74 0.04 1.61 1.01 -0.24 -4.59 116.67 117.84 1ww6 s ASP 27 Ca 0.00 0.57 0.03 0.00 0.71 0.00 0.00 52.55 53.85 1ww6 s ASP 27 Cb 0.00 -1.17 -0.02 0.00 1.01 0.00 0.00 42.92 42.74 1ww6 s ASP 27 CO 0.00 -1.68 -0.09 -0.63 0.21 0.00 0.00 175.17 172.98 1ww6 s ILE 28 N -3.35 0.65 -0.04 0.77 1.01 0.15 -1.96 121.20 118.43 1ww6 s ILE 28 Ca 0.61 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1ww6 s ILE 28 Cb -0.11 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.72 1ww6 s ILE 28 CO 0.46 -0.21 -0.05 -0.69 0.00 0.00 0.00 174.94 174.45 1ww6 s VAL 29 N -1.04 0.59 -0.06 2.92 1.01 -0.46 -0.67 120.40 122.69 1ww6 s VAL 29 Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1ww6 s VAL 29 Cb -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1ww6 s VAL 29 CO 0.01 0.23 -0.11 -0.89 0.00 0.00 0.00 175.10 174.34 1ww6 s THR 30 N 0.76 1.01 -0.13 3.92 2.01 -0.27 -0.01 115.64 122.93 1ww6 s THR 30 Ca -0.11 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1ww6 s THR 30 Cb -0.13 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1ww6 s THR 30 CO 0.01 0.33 0.06 -0.36 -0.69 0.00 0.00 174.62 173.96 1ww6 s PHE 31 N 0.66 3.32 -0.15 4.92 0.08 0.81 -1.27 117.98 126.35 1ww6 s PHE 31 Ca -0.13 0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.18 1ww6 s PHE 31 Cb -0.15 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1ww6 s PHE 31 CO 0.03 0.45 -0.18 -0.06 -0.10 0.00 0.00 175.22 175.36 1ww6 s PHE 32 N -0.52 2.75 -0.14 0.36 0.08 0.25 -1.38 117.98 119.37 1ww6 s PHE 32 Ca 0.10 -1.20 -0.01 0.00 0.12 0.00 0.00 56.93 55.94 1ww6 s PHE 32 Cb -0.12 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1ww6 s PHE 32 CO 0.02 -0.56 -0.10 0.45 -0.10 0.00 0.00 175.22 174.93 1ww6 s SER 33 N 0.89 4.26 -0.08 1.36 0.15 0.39 -1.43 113.70 119.24 1ww6 s SER 33 Ca -0.04 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.40 1ww6 s SER 33 Cb -0.15 -1.67 0.33 0.00 -1.71 0.00 0.00 66.02 62.82 1ww6 s SER 33 CO -0.02 0.16 1.05 -1.54 1.20 0.00 0.00 173.24 174.09 1ww6 n SER 34 N 3.57 2.77 -3.49 5.45 3.41 -1.26 -2.01 113.62 122.06 1ww6 n SER 34 Ca -0.18 -2.33 -0.10 0.00 -0.26 0.00 0.00 58.87 56.01 1ww6 n SER 34 Cb 0.53 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1ww6 n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ww6 s ALA 35 N -1.71 -1.68 -0.13 7.33 0.00 -1.20 -4.72 121.76 119.65 1ww6 s ALA 35 Ca 0.22 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 1ww6 s ALA 35 Cb 0.16 0.68 0.06 0.00 0.00 0.00 0.00 23.12 24.03 1ww6 s ALA 35 CO 0.08 -0.76 0.26 -1.17 0.00 0.00 0.00 175.76 174.17 1ww6 s LEU 36 N -2.65 -0.29 -0.54 0.00 2.96 -1.25 -4.11 118.68 112.80 1ww6 s LEU 36 Ca 0.04 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.55 1ww6 s LEU 36 Cb -0.01 0.68 0.14 0.00 0.50 0.00 0.00 46.19 47.49 1ww6 s LEU 36 CO -0.10 -0.24 0.29 0.20 -1.32 0.00 0.00 176.35 175.18 1ww6 s ASN 37 N 2.41 4.29 0.00 3.68 0.02 -0.84 -4.85 114.94 119.65 1ww6 s ASN 37 Ca 0.02 -3.10 0.07 0.00 -1.02 0.00 0.00 52.86 48.82 1ww6 s ASN 37 Cb -0.12 -1.56 0.34 0.00 0.02 0.00 0.00 41.25 39.93 1ww6 s ASN 37 CO -0.09 -0.21 1.23 0.18 0.02 0.00 0.00 177.10 178.23 1ww6 n LEU 38 N 2.98 0.31 -2.72 0.60 4.77 -1.26 -3.50 117.00 118.18 1ww6 n LEU 38 Ca 0.08 -0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1ww6 n LEU 38 Cb 0.33 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1ww6 n LEU 38 CO 0.32 0.08 0.05 -1.54 -1.33 0.00 0.00 177.39 174.96 1ww6 n SER 39 N -0.40 0.39 0.03 -1.43 3.41 -1.26 -4.94 113.62 109.41 1ww6 n SER 39 Ca 0.06 -2.71 -0.22 0.00 -0.26 0.00 0.00 58.87 55.74 1ww6 n SER 39 Cb 0.07 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 1ww6 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ww6 h ALA 40 N 2.74 0.19 0.00 7.33 0.00 -1.89 -3.51 119.26 124.12 1ww6 h ALA 40 Ca -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1ww6 h ALA 40 Cb 1.19 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ww6 h ALA 40 CO 0.34 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1ww6 n GLY 41 N 1.80 0.12 3.86 0.00 0.00 -1.26 -4.82 105.19 104.89 1ww6 n GLY 41 Ca -0.25 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 1ww6 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww6 s ALA 42 N -1.00 3.76 0.16 4.61 0.00 -1.26 -4.16 121.76 123.87 1ww6 s ALA 42 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1ww6 s ALA 42 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1ww6 s ALA 42 CO 0.00 0.55 0.37 0.20 0.00 0.00 0.00 175.76 176.89 1ww6 s GLY 43 N -1.31 2.08 -0.90 0.00 0.00 -1.26 -4.84 107.32 101.09 1ww6 s GLY 43 Ca 0.24 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1ww6 s GLY 43 CO 0.13 -0.61 1.69 1.44 0.00 0.00 0.00 173.10 175.75 1ww6 n SER 44 N -0.17 6.82 -0.09 1.64 7.64 -1.26 -4.06 113.62 124.14 1ww6 n SER 44 Ca -0.03 -3.72 0.11 0.00 1.01 0.00 0.00 58.87 56.24 1ww6 n SER 44 Cb 0.52 -1.02 0.01 0.00 -1.01 0.00 0.00 64.21 62.71 1ww6 n SER 44 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ww6 n PRO 45 N -0.20 0.23 -3.18 1.43 -0.04 -1.26 -5.05 135.00 126.93 1ww6 n PRO 45 Ca 0.45 -0.18 -0.41 0.00 -0.04 0.00 0.00 63.50 63.33 1ww6 n PRO 45 Cb 0.29 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 1ww6 n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ww6 s ASN 46 N -2.89 6.44 0.11 3.54 0.02 -1.26 -4.64 114.94 116.27 1ww6 s ASN 46 Ca 0.11 0.39 -0.15 0.00 -1.02 0.00 0.00 52.86 52.19 1ww6 s ASN 46 Cb 0.17 -2.30 -0.05 0.00 0.02 0.00 0.00 41.25 39.09 1ww6 s ASN 46 CO 0.77 -0.40 1.49 0.78 0.02 0.00 0.00 177.10 179.76 1ww6 h ASN 47 N 8.17 0.73 -3.69 -1.22 4.21 -1.35 -3.24 115.58 119.18 1ww6 h ASN 47 Ca -0.28 -0.39 -0.21 0.00 1.21 0.00 0.00 56.30 56.63 1ww6 h ASN 47 Cb 1.13 -0.20 -0.28 0.00 -1.12 0.00 0.00 38.32 37.85 1ww6 h ASN 47 CO 0.76 0.96 -0.60 -0.89 -1.29 0.00 0.00 177.43 176.36 1ww6 s THR 48 N -4.67 -0.01 -0.03 2.81 2.01 -1.19 -2.06 115.64 112.50 1ww6 s THR 48 Ca -0.13 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1ww6 s THR 48 Cb 0.09 -0.16 0.03 0.00 0.01 0.00 0.00 72.50 72.47 1ww6 s THR 48 CO 0.81 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.76 1ww6 s ALA 49 N 0.31 0.36 -0.13 7.40 0.00 0.31 -0.80 121.76 129.21 1ww6 s ALA 49 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1ww6 s ALA 49 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1ww6 s ALA 49 CO -0.01 -0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 174.96 1ww6 s LEU 50 N 1.14 2.55 0.02 0.00 1.43 0.32 -0.97 118.68 123.17 1ww6 s LEU 50 Ca -0.08 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1ww6 s LEU 50 Cb -0.13 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1ww6 s LEU 50 CO -0.02 0.15 -0.16 0.20 0.23 0.00 0.00 176.35 176.76 1ww6 s ASN 51 N 0.42 1.86 -0.22 2.29 -0.87 -0.23 -0.78 114.94 117.41 1ww6 s ASN 51 Ca -0.12 -0.38 -0.05 0.00 -1.57 0.00 0.00 52.86 50.74 1ww6 s ASN 51 Cb -0.16 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.25 40.89 1ww6 s ASN 51 CO 0.06 0.13 -0.01 -0.76 -2.57 0.00 0.00 177.10 173.94 1ww6 s LEU 52 N -0.78 3.05 0.08 0.60 1.02 -0.25 -2.01 118.68 120.39 1ww6 s LEU 52 Ca 0.05 -0.33 0.10 0.00 0.02 0.00 0.00 54.13 53.96 1ww6 s LEU 52 Cb -0.07 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 1ww6 s LEU 52 CO 0.00 -0.01 -0.25 -0.76 0.02 0.00 0.00 176.35 175.35 1ww6 s LEU 53 N 1.46 2.30 0.72 1.79 1.43 -0.33 -1.21 118.68 124.83 1ww6 s LEU 53 Ca 0.05 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1ww6 s LEU 53 Cb -0.14 -1.30 0.06 0.00 0.03 0.00 0.00 46.19 44.84 1ww6 s LEU 53 CO -0.01 0.23 1.03 -0.94 0.23 0.00 0.00 176.35 176.89 1ww6 s SER 54 N -1.61 4.77 0.00 2.29 1.04 -0.40 -1.23 113.70 118.57 1ww6 s SER 54 Ca 0.13 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.10 1ww6 s SER 54 Cb -0.10 -1.11 0.26 0.00 0.10 0.00 0.00 66.02 65.17 1ww6 s SER 54 CO 0.04 -1.64 1.09 1.21 0.98 0.00 0.00 173.24 174.93 1ww6 n GLU 55 N -2.97 0.04 0.00 4.02 2.13 -1.26 -0.96 120.64 121.64 1ww6 n GLU 55 Ca 0.08 0.31 0.10 0.00 0.66 0.00 0.00 57.16 58.31 1ww6 n GLU 55 Cb 0.61 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.88 1ww6 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ww6 n ASN 56 N -1.38 2.48 0.00 4.31 3.02 -1.26 -4.95 115.26 117.48 1ww6 n ASN 56 Ca 0.02 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 1ww6 n ASN 56 Cb 0.05 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1ww6 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ww6 n GLY 57 N 1.11 0.75 3.77 7.41 0.00 -0.14 -4.67 105.19 113.42 1ww6 n GLY 57 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1ww6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww6 s ALA 58 N -2.74 3.20 -1.14 4.61 0.00 -1.26 -4.38 121.76 120.05 1ww6 s ALA 58 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1ww6 s ALA 58 Cb 0.00 -3.43 0.15 0.00 0.00 0.00 0.00 23.12 19.84 1ww6 s ALA 58 CO 0.00 -0.67 1.39 0.71 0.00 0.00 0.00 175.76 177.19 1ww6 s TYR 59 N -1.34 3.29 0.20 0.00 2.02 0.10 -1.28 117.35 120.35 1ww6 s TYR 59 Ca 0.57 -1.84 -0.17 0.00 -0.37 0.00 0.00 57.07 55.25 1ww6 s TYR 59 Cb -0.34 -4.36 0.18 0.00 -0.40 0.00 0.00 41.96 37.03 1ww6 s TYR 59 CO 0.43 -1.48 1.60 -0.07 -1.57 0.00 0.00 175.55 174.47 1ww6 h LEU 60 N 10.30 -0.88 -7.39 -1.29 4.07 -1.42 -2.91 115.31 115.78 1ww6 h LEU 60 Ca 0.28 0.21 -0.22 0.00 0.08 0.00 0.00 57.88 58.24 1ww6 h LEU 60 Cb 0.92 0.49 -0.31 0.00 1.08 0.00 0.00 40.66 42.84 1ww6 h LEU 60 CO 1.24 -0.27 -0.53 -0.22 -1.08 0.00 0.00 178.44 177.58 1ww6 s LEU 61 N -10.79 0.56 -0.13 1.67 2.96 -1.05 -4.69 118.68 107.21 1ww6 s LEU 61 Ca -0.14 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1ww6 s LEU 61 Cb 0.18 0.57 -0.00 0.00 0.50 0.00 0.00 46.19 47.43 1ww6 s LEU 61 CO 0.71 -0.16 -0.17 -2.28 -1.32 0.00 0.00 176.35 173.13 1ww6 s HIS 62 N 1.21 2.72 -0.18 5.38 5.65 -0.18 -1.08 115.29 128.80 1ww6 s HIS 62 Ca -0.09 -0.93 0.01 0.00 0.25 0.00 0.00 55.06 54.30 1ww6 s HIS 62 Cb -0.11 -1.82 0.03 0.00 -1.18 0.00 0.00 32.58 29.50 1ww6 s HIS 62 CO -0.07 -0.38 -0.15 0.42 -0.65 0.00 0.00 174.74 173.91 1ww6 s ILE 63 N 0.53 1.81 -0.04 0.89 1.01 0.04 -2.25 121.20 123.20 1ww6 s ILE 63 Ca -0.11 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1ww6 s ILE 63 Cb -0.16 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1ww6 s ILE 63 CO 0.04 0.36 -0.19 0.00 0.00 0.00 0.00 174.94 175.15 1ww6 s ALA 64 N 1.36 1.66 -0.21 9.38 0.00 -0.24 -0.52 121.76 133.18 1ww6 s ALA 64 Ca 0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1ww6 s ALA 64 Cb -0.15 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1ww6 s ALA 64 CO -0.10 0.32 -0.05 -0.06 0.00 0.00 0.00 175.76 175.86 1ww6 s PHE 65 N -0.05 2.94 -0.28 0.00 0.40 0.02 -0.62 117.98 120.40 1ww6 s PHE 65 Ca -0.03 -0.95 0.03 0.00 -0.60 0.00 0.00 56.93 55.39 1ww6 s PHE 65 Cb -0.12 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.40 1ww6 s PHE 65 CO 0.02 -0.53 -0.06 1.03 0.70 0.00 0.00 175.22 176.38 1ww6 s ARG 66 N 1.39 1.95 0.07 0.44 0.52 -0.32 -1.00 118.95 122.00 1ww6 s ARG 66 Ca 0.05 -1.41 -0.19 0.00 -0.52 0.00 0.00 55.73 53.65 1ww6 s ARG 66 Cb -0.14 -2.90 -0.10 0.00 0.52 0.00 0.00 34.95 32.33 1ww6 s ARG 66 CO -0.03 -0.67 1.49 -0.07 0.02 0.00 0.00 175.30 176.04 1ww6 h LEU 67 N 7.77 0.38 -1.79 2.53 4.07 -1.84 0.59 115.31 127.01 1ww6 h LEU 67 Ca -0.15 -0.33 0.04 0.00 0.08 0.00 0.00 57.88 57.51 1ww6 h LEU 67 Cb 1.04 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 1ww6 h LEU 67 CO 0.47 0.62 0.21 0.06 -1.08 0.00 0.00 178.44 178.71 1ww6 h GLN 68 N 0.13 0.26 -0.02 1.13 -0.00 -1.91 -0.71 115.11 113.99 1ww6 h GLN 68 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1ww6 h GLN 68 Cb 0.43 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 1ww6 h GLN 68 CO 0.01 0.17 -0.33 0.39 -0.00 0.00 0.00 178.83 179.07 1ww6 n GLU 69 N -4.49 1.53 -3.95 0.06 1.02 -1.15 -5.00 120.64 108.66 1ww6 n GLU 69 Ca 0.03 -1.20 -0.42 0.00 -0.02 0.00 0.00 57.16 55.55 1ww6 n GLU 69 Cb 0.19 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1ww6 n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ww6 n ASN 70 N 0.31 -4.47 -3.69 1.62 4.05 0.20 -4.95 115.26 108.32 1ww6 n ASN 70 Ca 0.10 -1.21 -0.10 0.00 0.45 0.00 0.00 54.58 53.82 1ww6 n ASN 70 Cb 0.48 -2.24 -0.04 0.00 1.23 0.00 0.00 39.78 39.22 1ww6 n ASN 70 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ww6 s VAL 71 N -3.52 0.03 -0.11 3.44 1.01 -0.69 -2.94 120.40 117.62 1ww6 s VAL 71 Ca 0.49 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1ww6 s VAL 71 Cb -0.24 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1ww6 s VAL 71 CO 0.94 -0.13 -0.14 -0.63 0.00 0.00 0.00 175.10 175.14 1ww6 s ILE 72 N -3.85 1.44 -0.06 2.22 1.01 -0.35 -1.18 121.20 120.43 1ww6 s ILE 72 Ca 0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 1ww6 s ILE 72 Cb -0.01 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1ww6 s ILE 72 CO -0.05 0.43 -0.02 -0.69 0.00 0.00 0.00 174.94 174.61 1ww6 s VAL 73 N 1.11 4.09 -0.14 2.92 1.01 0.21 -1.26 120.40 128.35 1ww6 s VAL 73 Ca -0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1ww6 s VAL 73 Cb -0.14 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1ww6 s VAL 73 CO -0.03 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.16 1ww6 s PHE 74 N -0.91 1.80 0.04 5.22 0.40 -0.20 -1.08 117.98 123.25 1ww6 s PHE 74 Ca 0.15 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1ww6 s PHE 74 Cb -0.11 -1.39 -0.00 0.00 0.51 0.00 0.00 43.02 42.03 1ww6 s PHE 74 CO 0.04 -0.60 0.05 -1.71 0.70 0.00 0.00 175.22 173.70 1ww6 n ASN 75 N 4.86 -0.13 -3.65 1.36 2.85 -0.95 -1.32 115.26 118.27 1ww6 n ASN 75 Ca -0.14 -1.24 -0.08 0.00 -0.11 0.00 0.00 54.58 53.01 1ww6 n ASN 75 Cb 0.49 0.26 -0.02 0.00 1.24 0.00 0.00 39.78 41.76 1ww6 n ASN 75 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ww6 s SER 76 N -1.27 -0.11 0.00 1.20 0.01 -1.26 -1.01 113.70 111.27 1ww6 s SER 76 Ca 0.04 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1ww6 s SER 76 Cb 0.00 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1ww6 s SER 76 CO 0.03 -1.38 0.00 -2.11 0.41 0.00 0.00 173.24 170.19 1ww6 n ARG 77 N -0.47 0.00 -2.07 12.44 1.85 -1.10 -2.34 116.66 124.98 1ww6 n ARG 77 Ca -0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.49 1ww6 n ARG 77 Cb 0.60 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.00 1ww6 n ARG 77 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1ww6 s GLN 78 N -1.76 3.70 0.56 2.89 -1.52 -1.26 0.01 119.66 122.28 1ww6 s GLN 78 Ca 0.00 0.85 -0.21 0.00 -1.95 0.00 0.00 55.36 54.05 1ww6 s GLN 78 Cb 0.00 -2.10 -0.04 0.00 -0.22 0.00 0.00 33.01 30.65 1ww6 s GLN 78 CO 0.00 -0.48 1.36 -0.35 -0.25 0.00 0.00 175.29 175.57 1ww6 n PRO 79 N -2.28 1.62 -3.97 2.91 -0.04 -1.26 -2.91 135.00 129.06 1ww6 n PRO 79 Ca 0.06 0.60 -0.36 0.00 -0.04 0.00 0.00 63.50 63.77 1ww6 n PRO 79 Cb 0.54 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1ww6 n PRO 79 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ww6 n ASN 80 N -1.17 -2.95 -3.85 3.54 3.02 -1.26 -4.96 115.26 107.62 1ww6 n ASN 80 Ca 0.11 -1.15 -0.10 0.00 -0.03 0.00 0.00 54.58 53.41 1ww6 n ASN 80 Cb 0.45 -2.46 -0.06 0.00 -0.61 0.00 0.00 39.78 37.11 1ww6 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ww6 s ALA 81 N -3.73 -0.43 0.77 5.41 0.00 -1.15 -5.17 121.76 117.48 1ww6 s ALA 81 Ca 0.32 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 1ww6 s ALA 81 Cb -0.15 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.84 1ww6 s ALA 81 CO 0.93 -0.69 1.10 -1.25 0.00 0.00 0.00 175.76 175.84 1ww6 s PRO 82 N -3.91 2.29 0.35 0.00 0.04 -1.26 -4.80 135.00 127.71 1ww6 s PRO 82 Ca 0.12 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 1ww6 s PRO 82 Cb 0.02 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1ww6 s PRO 82 CO -0.03 -1.46 1.17 -1.58 0.04 0.00 0.00 177.00 175.14 1ww6 s TRP 83 N -3.22 3.23 0.00 0.56 0.52 -1.26 -4.63 118.94 114.13 1ww6 s TRP 83 Ca 0.60 1.57 0.00 0.00 0.02 0.00 0.00 56.10 58.30 1ww6 s TRP 83 Cb -0.13 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 28.78 1ww6 s TRP 83 CO 0.53 -1.16 0.00 1.28 0.02 0.00 0.00 176.95 177.63 1ww6 n LEU 84 N 0.55 0.00 -4.64 2.99 4.77 -0.99 -4.99 117.00 114.70 1ww6 n LEU 84 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 1ww6 n LEU 84 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1ww6 n LEU 84 CO 0.53 0.00 1.20 -0.69 -1.33 0.00 0.00 177.39 177.11 1ww6 s VAL 85 N 1.15 4.01 -0.32 4.08 1.01 -1.26 -4.89 120.40 124.18 1ww6 s VAL 85 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 1ww6 s VAL 85 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1ww6 s VAL 85 CO 0.00 -0.26 0.21 -1.83 0.00 0.00 0.00 175.10 173.22 1ww6 s GLU 86 N 4.04 3.60 0.42 2.72 -1.05 -1.26 -4.70 118.70 122.45 1ww6 s GLU 86 Ca 0.62 -0.56 -0.22 0.00 -0.15 0.00 0.00 54.97 54.65 1ww6 s GLU 86 Cb -0.23 -3.72 -0.11 0.00 -0.44 0.00 0.00 34.13 29.64 1ww6 s GLU 86 CO 0.22 -0.36 0.96 -0.65 0.95 0.00 0.00 175.26 176.38 1ww6 s GLN 87 N 1.71 4.24 -0.00 -4.83 -1.52 -0.44 -4.88 119.66 113.94 1ww6 s GLN 87 Ca 0.06 1.19 -0.03 0.00 -1.95 0.00 0.00 55.36 54.63 1ww6 s GLN 87 Cb -0.17 -2.28 -0.00 0.00 -0.22 0.00 0.00 33.01 30.34 1ww6 s GLN 87 CO 0.10 -0.02 0.06 -0.98 -0.25 0.00 0.00 175.29 174.19 1ww6 s ARG 88 N -2.99 0.26 -0.10 2.91 1.70 -1.26 -1.03 118.95 118.44 1ww6 s ARG 88 Ca 0.61 -0.26 0.04 0.00 -0.47 0.00 0.00 55.73 55.64 1ww6 s ARG 88 Cb -0.12 0.11 -0.00 0.00 -0.57 0.00 0.00 34.95 34.37 1ww6 s ARG 88 CO 0.16 -0.05 -0.23 0.08 -1.08 0.00 0.00 175.30 174.18 1ww6 s VAL 89 N -0.82 2.18 0.34 4.99 1.01 -0.39 -4.98 120.40 122.73 1ww6 s VAL 89 Ca -0.09 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 1ww6 s VAL 89 Cb -0.05 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1ww6 s VAL 89 CO 0.00 0.56 0.65 -0.44 0.00 0.00 0.00 175.10 175.87 1ww6 s SER 90 N 0.30 6.49 -0.06 3.32 0.01 -1.26 -1.21 113.70 121.29 1ww6 s SER 90 Ca -0.17 0.91 -0.01 0.00 1.31 0.00 0.00 55.95 57.99 1ww6 s SER 90 Cb -0.17 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1ww6 s SER 90 CO 0.08 -0.29 0.03 0.59 0.41 0.00 0.00 173.24 174.06 1ww6 n ASN 91 N -1.08 -2.55 0.18 2.44 3.02 -1.15 -4.94 115.26 111.18 1ww6 n ASN 91 Ca 0.00 0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.80 1ww6 n ASN 91 Cb 0.54 -1.99 -0.03 0.00 -0.61 0.00 0.00 39.78 37.68 1ww6 n ASN 91 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1ww6 h VAL 92 N 0.81 0.00 -0.89 2.41 2.07 -1.88 -3.30 116.25 115.47 1ww6 h VAL 92 Ca -0.06 -0.22 0.22 0.00 0.82 0.00 0.00 66.70 67.46 1ww6 h VAL 92 Cb 0.14 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.79 1ww6 h VAL 92 CO 0.01 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.99 1ww6 h ALA 93 N -1.57 1.42 -0.49 1.67 0.00 -1.95 0.54 119.26 118.89 1ww6 h ALA 93 Ca -0.05 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1ww6 h ALA 93 Cb 0.36 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ww6 h ALA 93 CO 0.08 -0.34 0.44 -0.91 0.00 0.00 0.00 179.25 178.52 1ww6 h ASN 94 N 0.40 0.00 1.20 0.00 4.21 -1.93 0.12 115.58 119.58 1ww6 h ASN 94 Ca 0.56 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.92 1ww6 h ASN 94 Cb 1.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 1ww6 h ASN 94 CO -0.53 0.00 -0.83 1.56 -1.29 0.00 0.00 177.43 176.34 1ww6 h GLN 95 N 0.00 0.00 -0.62 0.81 1.08 -0.96 -3.27 115.11 112.14 1ww6 h GLN 95 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1ww6 h GLN 95 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1ww6 h GLN 95 CO -0.00 0.55 0.00 1.19 -0.95 0.00 0.00 178.83 179.62 1ww6 n PHE 96 N -3.17 1.15 -1.88 2.96 3.72 0.39 -4.84 117.46 115.79 1ww6 n PHE 96 Ca -0.01 -0.46 -0.42 0.00 -0.05 0.00 0.00 57.45 56.50 1ww6 n PHE 96 Cb 0.81 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1ww6 n PHE 96 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ww6 s ILE 97 N -1.74 3.15 0.00 4.37 -1.09 -0.94 -1.58 121.20 123.37 1ww6 s ILE 97 Ca 0.40 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1ww6 s ILE 97 Cb 0.25 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1ww6 s ILE 97 CO 0.20 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1ww6 n GLY 98 N 4.17 1.06 0.00 6.18 0.00 -1.26 -5.03 105.19 110.32 1ww6 n GLY 98 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ww6 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ww6 n SER 99 N 0.00 0.00 -1.01 1.61 7.64 -0.62 -5.05 113.62 116.20 1ww6 n SER 99 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1ww6 n SER 99 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ww6 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ww6 n GLY 100 N 2.17 0.77 1.97 0.23 0.00 -1.26 -4.52 105.19 104.54 1ww6 n GLY 100 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ww6 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ww6 n GLY 101 N -0.95 0.59 3.57 -0.02 0.00 -1.26 -5.01 105.19 102.12 1ww6 n GLY 101 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ww6 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ww6 s LYS 102 N -0.08 0.58 0.11 1.61 -2.85 -1.26 -3.27 119.74 114.58 1ww6 s LYS 102 Ca 0.00 0.07 -0.07 0.00 -1.00 0.00 0.00 55.97 54.97 1ww6 s LYS 102 Cb 0.00 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1ww6 s LYS 102 CO 0.00 -0.19 0.18 0.00 0.10 0.00 0.00 175.35 175.43 1ww6 s ALA 103 N -1.40 -0.00 0.01 0.59 0.00 -0.85 -4.69 121.76 115.43 1ww6 s ALA 103 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1ww6 s ALA 103 Cb -0.01 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1ww6 s ALA 103 CO -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 175.76 175.21 1ww6 s MET 104 N -3.91 0.18 -0.08 0.00 0.23 -1.26 -0.46 119.30 114.00 1ww6 s MET 104 Ca 0.10 -0.30 0.03 0.00 -1.03 0.00 0.00 55.69 54.49 1ww6 s MET 104 Cb 0.05 0.00 0.01 0.00 -1.53 0.00 0.00 34.83 33.36 1ww6 s MET 104 CO -0.07 -0.01 -0.17 0.08 -2.03 0.00 0.00 175.02 172.81 1ww6 s VAL 105 N -0.67 1.56 0.02 5.16 1.01 -0.48 -0.69 120.40 126.30 1ww6 s VAL 105 Ca -0.07 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1ww6 s VAL 105 Cb -0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1ww6 s VAL 105 CO -0.00 0.45 -0.26 -0.89 0.00 0.00 0.00 175.10 174.40 1ww6 s THR 106 N 0.56 2.17 -0.10 3.92 2.01 0.13 -0.13 115.64 124.20 1ww6 s THR 106 Ca -0.16 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1ww6 s THR 106 Cb -0.17 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1ww6 s THR 106 CO 0.05 0.43 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.63 1ww6 s VAL 107 N -0.75 1.14 -0.17 3.82 1.01 0.99 -0.46 120.40 125.98 1ww6 s VAL 107 Ca 0.11 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1ww6 s VAL 107 Cb -0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1ww6 s VAL 107 CO 0.01 0.38 0.08 -0.36 0.00 0.00 0.00 175.10 175.21 1ww6 s PHE 108 N 1.37 3.33 -0.71 5.22 0.40 -0.59 -1.36 117.98 125.64 1ww6 s PHE 108 Ca -0.01 0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.36 1ww6 s PHE 108 Cb -0.14 -2.04 0.15 0.00 0.51 0.00 0.00 43.02 41.50 1ww6 s PHE 108 CO -0.05 0.31 0.75 0.34 0.70 0.00 0.00 175.22 177.27 1ww6 s ASP 109 N 0.00 6.43 -0.00 1.36 3.68 -0.83 -2.07 116.67 125.25 1ww6 s ASP 109 Ca 0.07 -1.97 0.00 0.00 2.13 0.00 0.00 52.55 52.78 1ww6 s ASP 109 Cb -0.12 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 1ww6 s ASP 109 CO 0.01 -0.90 1.00 1.41 0.13 0.00 0.00 175.17 176.81 1ww6 n HIS 110 N 5.46 0.01 0.00 -5.34 8.25 -0.61 0.20 115.22 123.18 1ww6 n HIS 110 Ca 0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1ww6 n HIS 110 Cb 0.44 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1ww6 n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ww6 n GLY 111 N 0.50 2.04 0.79 -1.41 0.00 -1.26 -4.29 105.19 101.55 1ww6 n GLY 111 Ca 0.00 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1ww6 n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ww6 n ASP 112 N 3.89 2.64 -3.96 1.61 5.75 -1.26 -4.91 116.55 120.31 1ww6 n ASP 112 Ca 0.00 -1.82 -0.10 0.00 -0.01 0.00 0.00 54.79 52.86 1ww6 n ASP 112 Cb 0.00 0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1ww6 n ASP 112 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ww6 s LYS 113 N -2.17 1.32 -0.19 0.11 1.02 -1.26 -2.91 119.74 115.67 1ww6 s LYS 113 Ca 0.25 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 55.06 1ww6 s LYS 113 Cb 0.19 0.42 0.04 0.00 -0.52 0.00 0.00 37.83 37.96 1ww6 s LYS 113 CO 0.40 -0.52 -0.10 0.71 -0.92 0.00 0.00 175.35 174.91 1ww6 s TYR 114 N -3.98 2.29 -0.18 3.18 2.02 0.17 -1.58 117.35 119.28 1ww6 s TYR 114 Ca 0.19 -1.47 -0.17 0.00 -0.37 0.00 0.00 57.07 55.25 1ww6 s TYR 114 Cb 0.02 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1ww6 s TYR 114 CO 0.03 -0.72 0.44 -1.14 -1.57 0.00 0.00 175.55 172.60 1ww6 s GLN 115 N 1.44 4.22 -0.18 -0.62 0.74 -0.88 -0.71 119.66 123.67 1ww6 s GLN 115 Ca 0.00 0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.69 1ww6 s GLN 115 Cb -0.15 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 1ww6 s GLN 115 CO -0.09 -0.00 -0.08 0.08 -0.55 0.00 0.00 175.29 174.66 1ww6 s VAL 116 N 1.17 3.26 -0.08 1.34 1.01 -0.67 -1.54 120.40 124.88 1ww6 s VAL 116 Ca 0.22 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1ww6 s VAL 116 Cb -0.15 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1ww6 s VAL 116 CO 0.09 0.47 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 1ww6 s VAL 117 N 1.01 2.15 -0.33 2.92 1.01 0.39 -0.76 120.40 126.78 1ww6 s VAL 117 Ca -0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1ww6 s VAL 117 Cb -0.15 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1ww6 s VAL 117 CO -0.00 0.56 0.09 -0.63 0.00 0.00 0.00 175.10 175.12 1ww6 s ILE 118 N 0.09 3.69 0.00 2.22 1.01 -0.00 0.23 121.20 128.43 1ww6 s ILE 118 Ca -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1ww6 s ILE 118 Cb -0.16 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1ww6 s ILE 118 CO 0.06 -0.15 0.00 0.59 0.00 0.00 0.00 174.94 175.44 1ww6 n ASN 119 N 4.79 0.00 -0.21 3.58 5.03 0.13 -1.50 115.26 127.08 1ww6 n ASN 119 Ca -0.13 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.36 1ww6 n ASN 119 Cb 0.45 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.22 1ww6 n ASN 119 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ww6 n GLU 120 N 0.00 1.65 -3.34 3.52 1.02 -1.26 -4.92 120.64 117.32 1ww6 n GLU 120 Ca 0.00 -0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 56.10 1ww6 n GLU 120 Cb 0.00 -1.05 -0.09 0.00 -0.02 0.00 0.00 31.44 30.29 1ww6 n GLU 120 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ww6 s LYS 121 N -1.01 4.04 0.03 3.49 2.20 -0.56 -5.04 119.74 122.88 1ww6 s LYS 121 Ca 0.07 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 1ww6 s LYS 121 Cb 0.06 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1ww6 s LYS 121 CO 0.17 -0.30 1.31 0.99 -0.36 0.00 0.00 175.35 177.16 1ww6 s THR 122 N 2.13 3.81 -0.05 3.43 2.01 -1.26 -0.82 115.64 124.89 1ww6 s THR 122 Ca 0.17 1.25 0.17 0.00 0.31 0.00 0.00 61.69 63.59 1ww6 s THR 122 Cb -0.16 -3.80 -0.27 0.00 0.01 0.00 0.00 72.50 68.28 1ww6 s THR 122 CO 0.10 0.05 0.34 1.33 -0.69 0.00 0.00 174.62 175.74 1ww6 n VAL 123 N 4.29 0.17 -3.61 3.82 0.24 0.06 -4.94 118.33 118.36 1ww6 n VAL 123 Ca 0.11 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1ww6 n VAL 123 Cb 0.45 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.75 1ww6 n VAL 123 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1ww6 s ILE 124 N -3.11 0.00 -0.58 1.34 2.07 -1.21 -4.99 121.20 114.72 1ww6 s ILE 124 Ca -0.07 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.11 1ww6 s ILE 124 Cb 0.10 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.84 1ww6 s ILE 124 CO 0.73 0.00 0.43 -1.10 -1.91 0.00 0.00 174.94 173.09 1ww6 s GLN 125 N -0.74 2.60 0.14 3.50 -1.52 -1.26 -1.67 119.66 120.71 1ww6 s GLN 125 Ca 0.02 -2.22 -0.30 0.00 -1.95 0.00 0.00 55.36 50.92 1ww6 s GLN 125 Cb -0.02 -3.86 -0.07 0.00 -0.22 0.00 0.00 33.01 28.85 1ww6 s GLN 125 CO -0.03 -1.18 1.10 -0.47 -0.25 0.00 0.00 175.29 174.45 1ww6 s TYR 126 N 0.52 3.59 -0.36 0.91 5.04 0.11 -4.90 117.35 122.27 1ww6 s TYR 126 Ca 0.13 1.58 -0.18 0.00 -2.44 0.00 0.00 57.07 56.16 1ww6 s TYR 126 Cb -0.21 -3.27 -0.00 0.00 0.35 0.00 0.00 41.96 38.83 1ww6 s TYR 126 CO -0.04 -0.60 0.50 0.99 -1.34 0.00 0.00 175.55 175.07 1ww6 s THR 127 N 0.05 5.02 -0.30 4.34 2.01 -1.26 -0.65 115.64 124.85 1ww6 s THR 127 Ca 0.51 0.24 -0.37 0.00 0.31 0.00 0.00 61.69 62.38 1ww6 s THR 127 Cb -0.28 -3.97 -0.13 0.00 0.01 0.00 0.00 72.50 68.12 1ww6 s THR 127 CO 0.33 -0.25 2.02 0.29 -0.69 0.00 0.00 174.62 176.32 1ww6 n LYS 128 N 5.74 1.23 0.19 4.92 5.02 -1.15 -4.81 118.16 129.30 1ww6 n LYS 128 Ca -0.05 0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1ww6 n LYS 128 Cb 0.49 -2.36 0.13 0.00 -0.02 0.00 0.00 35.03 33.27 1ww6 n LYS 128 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1ww6 h GLN 129 N 10.38 0.00 -3.89 1.97 4.20 -1.92 -3.45 115.11 122.40 1ww6 h GLN 129 Ca -0.35 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.13 1ww6 h GLN 129 Cb 1.32 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.84 1ww6 h GLN 129 CO 1.00 0.00 -0.72 0.42 -0.67 0.00 0.00 178.83 178.86 1ww6 s ILE 130 N -3.25 0.09 0.37 2.54 1.01 -1.26 -5.08 121.20 115.63 1ww6 s ILE 130 Ca 0.05 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1ww6 s ILE 130 Cb 0.06 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.37 1ww6 s ILE 130 CO 0.70 -0.13 0.28 -0.44 0.00 0.00 0.00 174.94 175.35 1ww6 s SER 131 N -0.44 4.98 0.00 3.58 0.01 -1.26 -4.94 113.70 115.63 1ww6 s SER 131 Ca -0.04 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1ww6 s SER 131 Cb -0.03 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1ww6 s SER 131 CO -0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1ww6 n GLY 132 N -1.37 3.08 3.82 3.44 0.00 -1.26 -5.07 105.19 107.84 1ww6 n GLY 132 Ca -0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1ww6 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ww6 s THR 133 N -2.01 4.92 -0.05 2.61 -4.23 -1.26 -4.93 115.64 110.70 1ww6 s THR 133 Ca 0.00 1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.21 1ww6 s THR 133 Cb 0.00 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 1ww6 s THR 133 CO 0.00 0.56 1.11 -0.89 -0.54 0.00 0.00 174.62 174.86 1ww6 s THR 134 N -1.01 4.47 -0.16 3.99 2.01 0.13 -4.29 115.64 120.79 1ww6 s THR 134 Ca 0.26 1.77 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1ww6 s THR 134 Cb -0.18 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1ww6 s THR 134 CO 0.16 0.04 0.15 -1.54 -0.69 0.00 0.00 174.62 172.73 1ww6 n SER 135 N 4.80 0.30 -3.50 3.53 3.41 -0.36 -1.34 113.62 120.46 1ww6 n SER 135 Ca 0.09 -0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 58.02 1ww6 n SER 135 Cb 0.48 1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.40 1ww6 n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ww6 s SER 136 N -1.37 -0.45 0.04 4.04 1.04 -1.13 -0.72 113.70 115.14 1ww6 s SER 136 Ca 0.01 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.38 1ww6 s SER 136 Cb 0.03 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1ww6 s SER 136 CO 0.14 -0.91 -0.08 -0.76 0.98 0.00 0.00 173.24 172.61 1ww6 s LEU 137 N -2.71 2.21 0.05 2.42 1.43 -0.71 -1.19 118.68 120.19 1ww6 s LEU 137 Ca 0.01 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1ww6 s LEU 137 Cb -0.00 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.99 1ww6 s LEU 137 CO -0.12 -0.15 -0.10 -0.94 0.23 0.00 0.00 176.35 175.28 1ww6 s SER 138 N -1.32 1.14 -0.28 2.29 1.04 -0.85 -0.37 113.70 115.34 1ww6 s SER 138 Ca -0.07 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1ww6 s SER 138 Cb -0.09 0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.13 1ww6 s SER 138 CO 0.00 -0.17 0.03 -0.47 0.98 0.00 0.00 173.24 173.62 1ww6 s TYR 139 N -1.44 2.29 0.06 5.02 5.04 -0.82 -1.06 117.35 126.45 1ww6 s TYR 139 Ca -0.06 -1.93 0.03 0.00 -2.44 0.00 0.00 57.07 52.67 1ww6 s TYR 139 Cb -0.09 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 1ww6 s TYR 139 CO 0.01 -0.84 0.05 -0.80 -1.34 0.00 0.00 175.55 172.63 1ww6 s ASN 140 N 1.42 5.35 0.12 4.32 0.02 -0.14 0.11 114.94 126.14 1ww6 s ASN 140 Ca 0.04 -0.04 -0.02 0.00 -1.02 0.00 0.00 52.86 51.82 1ww6 s ASN 140 Cb -0.18 -1.40 -0.04 0.00 0.02 0.00 0.00 41.25 39.65 1ww6 s ASN 140 CO -0.14 0.20 0.06 -0.44 0.02 0.00 0.00 177.10 176.80 1ww6 s SER 141 N -2.21 0.31 -0.17 -1.22 0.01 -1.26 -0.53 113.70 108.63 1ww6 s SER 141 Ca 0.27 -1.13 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 1ww6 s SER 141 Cb -0.12 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 1ww6 s SER 141 CO 0.19 -0.72 0.26 -0.89 0.41 0.00 0.00 173.24 172.49 1ww6 s THR 142 N -4.01 5.32 -0.44 1.44 2.01 -0.87 -4.96 115.64 114.13 1ww6 s THR 142 Ca 0.20 0.47 -0.40 0.00 0.31 0.00 0.00 61.69 62.28 1ww6 s THR 142 Cb 0.07 -3.60 -0.17 0.00 0.01 0.00 0.00 72.50 68.81 1ww6 s THR 142 CO -0.01 0.39 1.75 1.21 -0.69 0.00 0.00 174.62 177.27 1ww6 n GLU 143 N 3.64 0.00 -0.65 4.92 4.07 -1.26 -1.33 120.64 130.03 1ww6 n GLU 143 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1ww6 n GLU 143 Cb 0.52 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 1ww6 n GLU 143 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ww6 n GLY 144 N 5.72 0.82 0.74 8.31 0.00 -1.26 -4.85 105.19 114.67 1ww6 n GLY 144 Ca 0.42 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.47 1ww6 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ww6 n THR 145 N -2.00 2.29 -2.60 2.61 -2.24 -0.44 -4.92 114.28 106.97 1ww6 n THR 145 Ca 0.00 -2.89 -0.36 0.00 -2.27 0.00 0.00 64.05 58.53 1ww6 n THR 145 Cb 0.00 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 1ww6 n THR 145 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ww6 s SER 146 N -2.89 6.81 0.00 3.42 0.15 -1.25 -4.59 113.70 115.35 1ww6 s SER 146 Ca 0.40 1.96 0.26 0.00 0.70 0.00 0.00 55.95 59.27 1ww6 s SER 146 Cb 0.37 -2.58 0.93 0.00 -1.71 0.00 0.00 66.02 63.03 1ww6 s SER 146 CO -0.03 -0.45 1.67 2.30 1.20 0.00 0.00 173.24 177.93 1ww6 n ILE 147 N -0.14 0.06 -4.51 6.45 -5.35 -1.26 -4.68 119.36 109.93 1ww6 n ILE 147 Ca 0.05 -0.29 -0.24 0.00 -0.27 0.00 0.00 62.75 62.00 1ww6 n ILE 147 Cb 0.50 0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 38.81 1ww6 n ILE 147 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ww6 s PHE 148 N -1.94 2.23 0.87 4.28 0.08 -1.26 -1.98 117.98 120.27 1ww6 s PHE 148 Ca 0.36 -0.66 -0.12 0.00 0.12 0.00 0.00 56.93 56.63 1ww6 s PHE 148 Cb 0.20 -1.38 0.12 0.00 -0.57 0.00 0.00 43.02 41.39 1ww6 s PHE 148 CO 0.31 0.38 1.14 -1.13 -0.10 0.00 0.00 175.22 175.83 1ww6 n SER 149 N -0.75 0.53 0.31 1.36 3.41 -1.26 -4.87 113.62 112.35 1ww6 n SER 149 Ca -0.05 0.49 0.19 0.00 -0.26 0.00 0.00 58.87 59.24 1ww6 n SER 149 Cb 0.65 -1.48 1.02 0.00 -0.26 0.00 0.00 64.21 64.14 1ww6 n SER 149 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ww6 h THR 150 N -1.46 0.16 -3.63 6.66 1.35 -1.98 -3.39 112.91 110.62 1ww6 h THR 150 Ca -0.44 -0.16 -0.58 0.00 -0.55 0.00 0.00 66.41 64.68 1ww6 h THR 150 Cb 1.28 1.14 -0.32 0.00 -1.73 0.00 0.00 68.15 68.52 1ww6 h THR 150 CO 0.43 0.02 -0.84 -0.69 -0.25 0.00 0.00 175.52 174.19 1ww6 s VAL 151 N -4.15 1.49 -0.11 6.82 1.01 -1.26 -1.18 120.40 123.03 1ww6 s VAL 151 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ww6 s VAL 151 Cb 0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1ww6 s VAL 151 CO 0.48 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 175.16 1ww6 s VAL 152 N 0.30 2.82 -0.01 2.92 1.01 0.03 -4.62 120.40 122.85 1ww6 s VAL 152 Ca -0.11 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1ww6 s VAL 152 Cb -0.14 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1ww6 s VAL 152 CO 0.04 0.54 0.59 -1.61 0.00 0.00 0.00 175.10 174.67 1ww6 s GLU 153 N 0.16 4.31 -0.07 2.72 2.02 -0.51 -0.40 118.70 126.93 1ww6 s GLU 153 Ca -0.09 0.72 0.04 0.00 0.02 0.00 0.00 54.97 55.66 1ww6 s GLU 153 Cb -0.15 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1ww6 s GLU 153 CO 0.05 0.36 -0.18 0.00 0.02 0.00 0.00 175.26 175.52 1ww6 s ALA 154 N -0.17 1.64 -0.11 5.21 0.00 0.30 0.84 121.76 129.47 1ww6 s ALA 154 Ca 0.31 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1ww6 s ALA 154 Cb -0.18 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1ww6 s ALA 154 CO 0.17 0.23 -0.21 0.08 0.00 0.00 0.00 175.76 176.03 1ww6 s VAL 155 N 0.33 1.89 -0.02 0.00 1.01 -0.40 -0.16 120.40 123.05 1ww6 s VAL 155 Ca -0.12 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1ww6 s VAL 155 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1ww6 s VAL 155 CO 0.05 0.52 -0.17 0.42 0.00 0.00 0.00 175.10 175.92 1ww6 s THR 156 N 0.59 2.85 -0.30 3.92 -4.23 -0.68 -1.11 115.64 116.67 1ww6 s THR 156 Ca -0.14 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1ww6 s THR 156 Cb -0.17 -2.12 0.08 0.00 1.34 0.00 0.00 72.50 71.64 1ww6 s THR 156 CO 0.04 0.53 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.32 1ww6 s TYR 157 N -0.76 3.51 0.28 3.99 2.02 0.15 -2.38 117.35 124.18 1ww6 s TYR 157 Ca 0.12 -2.65 0.12 0.00 -0.37 0.00 0.00 57.07 54.29 1ww6 s TYR 157 Cb -0.10 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.98 1ww6 s TYR 157 CO 0.01 -0.91 -0.18 0.95 -1.57 0.00 0.00 175.55 173.85 1ww6 s THR 158 N 1.01 2.53 0.00 -0.71 -4.23 -0.93 -0.67 115.64 112.64 1ww6 s THR 158 Ca 0.01 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.15 1ww6 s THR 158 Cb -0.20 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1ww6 s THR 158 CO -0.06 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1ww6 n GLY 159 N -0.64 0.60 0.01 3.99 0.00 -1.26 -0.60 105.19 107.29 1ww6 n GLY 159 Ca -0.05 -0.77 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1ww6 n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ww6 h LEU 160 N 0.00 0.00 0.00 0.99 3.38 -1.85 -3.34 115.31 114.49 1ww6 h LEU 160 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ww6 h LEU 160 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ww6 h LEU 160 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68