#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdz s ASP 2 N 0.00 5.71 0.66 6.12 2.15 -1.26 -4.98 116.67 125.07 2wdz s ASP 2 Ca 0.00 -1.77 0.43 0.00 0.43 0.00 0.00 52.55 51.64 2wdz s ASP 2 Cb 0.00 -2.01 2.36 0.00 -0.30 0.00 0.00 42.92 42.96 2wdz s ASP 2 CO 0.00 -0.65 2.34 1.88 -0.17 0.00 0.00 175.17 178.57 2wdz h TYR 3 N 8.46 0.00 -0.12 -5.34 0.05 -2.06 -2.01 116.97 115.95 2wdz h TYR 3 Ca -0.22 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.42 2wdz h TYR 3 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 2wdz h TYR 3 CO 0.63 0.00 -0.54 0.00 -1.05 0.00 0.00 178.16 177.20 2wdz h ARG 4 N 0.00 0.36 0.00 4.88 2.47 -2.06 -3.26 114.38 116.77 2wdz h ARG 4 Ca 0.00 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2wdz h ARG 4 Cb 0.04 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2wdz h ARG 4 CO -0.00 0.81 0.00 0.25 0.56 0.00 0.00 179.97 181.59 2wdz n THR 5 N -3.94 0.61 0.38 2.04 -2.24 -0.99 -4.76 114.28 105.39 2wdz n THR 5 Ca -0.02 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.18 2wdz n THR 5 Cb 0.58 0.74 0.52 0.00 -2.10 0.00 0.00 70.33 70.07 2wdz n THR 5 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2wdz h VAL 6 N 0.57 0.00 -0.04 2.28 3.04 -1.42 -2.69 116.25 117.99 2wdz h VAL 6 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2wdz h VAL 6 Cb 0.50 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2wdz h VAL 6 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 2wdz n PHE 7 N -2.32 0.03 -2.48 3.17 3.72 -1.26 -2.53 117.46 115.78 2wdz n PHE 7 Ca 0.02 -0.02 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2wdz n PHE 7 Cb 0.23 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 2wdz n PHE 7 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wdz s ARG 8 N -1.97 3.19 -0.19 -1.08 1.81 -1.02 -4.85 118.95 114.85 2wdz s ARG 8 Ca 0.34 0.09 0.15 0.00 -1.72 0.00 0.00 55.73 54.59 2wdz s ARG 8 Cb 0.20 -2.31 0.44 0.00 -0.45 0.00 0.00 34.95 32.84 2wdz s ARG 8 CO 0.32 -0.49 1.19 1.28 -0.68 0.00 0.00 175.30 176.91 2wdz n LEU 9 N -2.45 2.68 -4.72 2.53 4.77 -0.29 -4.52 117.00 115.00 2wdz n LEU 9 Ca 0.03 -3.55 -0.42 0.00 -0.03 0.00 0.00 56.01 52.04 2wdz n LEU 9 Cb 0.56 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2wdz n LEU 9 CO 0.53 1.31 1.34 -1.81 -1.33 0.00 0.00 177.39 177.44 2wdz s ASP 10 N -3.11 6.40 0.00 -1.43 1.01 -1.23 -1.57 116.67 116.74 2wdz s ASP 10 Ca 0.39 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.50 2wdz s ASP 10 Cb 0.38 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.70 2wdz s ASP 10 CO -0.06 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 174.98 2wdz n GLY 11 N 3.74 2.51 3.87 0.21 0.00 -1.22 -4.99 105.19 109.30 2wdz n GLY 11 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2wdz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 12 N -2.19 3.38 -0.14 4.61 0.00 -0.61 -4.93 121.76 121.87 2wdz s ALA 12 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2wdz s ALA 12 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.45 2wdz s ALA 12 CO 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 175.76 175.69 2wdz s ALA 14 N 0.79 3.20 -0.12 0.00 0.00 0.20 -1.09 121.76 124.73 2wdz s ALA 14 Ca -0.07 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.79 2wdz s ALA 14 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 2wdz s ALA 14 CO -0.01 -0.01 0.65 0.00 0.00 0.00 0.00 175.76 176.39 2wdz s ALA 15 N 0.74 3.43 -0.15 0.00 0.00 0.27 -0.84 121.76 125.20 2wdz s ALA 15 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2wdz s ALA 15 Cb -0.14 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.09 2wdz s ALA 15 CO 0.02 -0.24 -0.14 0.08 0.00 0.00 0.00 175.76 175.48 2wdz s VAL 16 N 1.15 1.62 0.21 0.00 1.01 -0.37 -0.86 120.40 123.17 2wdz s VAL 16 Ca 0.33 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2wdz s VAL 16 Cb -0.17 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 2wdz s VAL 16 CO 0.14 0.45 0.56 0.42 0.00 0.00 0.00 175.10 176.67 2wdz s THR 17 N 1.47 4.89 -0.94 3.92 -4.23 -0.49 -0.98 115.64 119.28 2wdz s THR 17 Ca 0.05 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2wdz s THR 17 Cb -0.13 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2wdz s THR 17 CO -0.11 0.01 0.04 0.61 -0.54 0.00 0.00 174.62 174.63 2wdz n GLY 18 N 0.11 -0.08 0.02 3.99 0.00 -0.25 -2.33 105.19 106.66 2wdz n GLY 18 Ca -0.01 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.70 2wdz n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz n ALA 19 N -1.67 1.85 0.85 4.61 0.00 -0.66 -3.58 120.51 121.91 2wdz n ALA 19 Ca -0.12 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.40 2wdz n ALA 19 Cb 0.60 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 19.04 2wdz n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdz n GLY 20 N 0.42 -1.38 3.22 0.00 0.00 -1.26 -3.46 105.19 102.72 2wdz n GLY 20 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2wdz n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdz s SER 21 N -3.47 0.21 0.86 1.61 0.15 -1.23 -4.73 113.70 107.10 2wdz s SER 21 Ca 0.10 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2wdz s SER 21 Cb 0.16 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2wdz s SER 21 CO 0.67 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2wdz n GLY 22 N -0.15 3.04 0.26 9.45 0.00 -1.26 -1.18 105.19 115.35 2wdz n GLY 22 Ca -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2wdz n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wdz h ILE 23 N 0.00 1.27 -0.48 -0.61 1.08 -1.93 -2.64 117.51 114.20 2wdz h ILE 23 Ca 0.00 -1.31 0.03 0.00 -0.39 0.00 0.00 64.86 63.19 2wdz h ILE 23 Cb 0.00 1.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 2wdz h ILE 23 CO 0.00 0.43 0.26 1.23 -0.69 0.00 0.00 178.15 179.39 2wdz h GLY 24 N 0.98 0.67 0.90 5.37 0.00 -1.55 -1.19 103.07 108.25 2wdz h GLY 24 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 2wdz h GLY 24 CO 0.05 0.14 -0.17 -2.00 0.00 0.00 0.00 176.54 174.57 2wdz h LEU 25 N 0.52 0.62 -1.14 3.11 5.85 -1.12 -2.19 115.31 120.97 2wdz h LEU 25 Ca 0.20 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wdz h LEU 25 Cb 0.08 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2wdz h LEU 25 CO -0.12 0.91 0.48 -0.08 -0.34 0.00 0.00 178.44 179.30 2wdz h GLU 26 N 0.32 1.07 -0.67 1.25 4.57 -1.24 -1.07 114.58 118.82 2wdz h GLU 26 Ca 0.06 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2wdz h GLU 26 Cb 0.70 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2wdz h GLU 26 CO 0.05 0.75 0.30 0.82 -1.18 0.00 0.00 179.01 179.74 2wdz h ILE 27 N 1.09 1.23 -0.59 2.32 2.04 -1.17 -1.12 117.51 121.31 2wdz h ILE 27 Ca 0.29 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2wdz h ILE 27 Cb -0.05 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 2wdz h ILE 27 CO -0.05 0.28 0.17 0.00 0.00 0.00 0.00 178.15 178.55 2wdz h ARG 29 N 0.33 0.45 -0.11 0.00 3.08 -0.83 0.11 114.38 117.41 2wdz h ARG 29 Ca 0.30 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2wdz h ARG 29 Cb 0.41 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2wdz h ARG 29 CO -0.35 0.30 0.04 0.00 -1.07 0.00 0.00 179.97 178.89 2wdz h ALA 30 N 1.21 0.14 -0.53 0.04 0.00 -0.91 0.65 119.26 119.86 2wdz h ALA 30 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wdz h ALA 30 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wdz h ALA 30 CO -0.11 -0.26 0.13 0.74 0.00 0.00 0.00 179.25 179.75 2wdz h PHE 31 N 0.01 0.90 0.39 0.00 -1.00 -0.94 -1.76 116.94 114.55 2wdz h PHE 31 Ca 0.04 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 2wdz h PHE 31 Cb 0.18 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2wdz h PHE 31 CO -0.01 0.78 -0.31 0.00 -1.61 0.00 0.00 178.31 177.16 2wdz h ALA 32 N 1.01 -0.71 -1.09 2.45 0.00 -0.78 -0.44 119.26 119.70 2wdz h ALA 32 Ca 0.17 -0.12 0.32 0.00 0.00 0.00 0.00 54.91 55.27 2wdz h ALA 32 Cb 0.34 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2wdz h ALA 32 CO 0.00 -0.92 0.78 0.00 0.00 0.00 0.00 179.25 179.11 2wdz h ALA 33 N -0.20 3.02 -0.03 0.00 0.00 -0.78 -1.55 119.26 119.73 2wdz h ALA 33 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wdz h ALA 33 Cb 0.61 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wdz h ALA 33 CO -0.01 -1.33 0.00 0.43 0.00 0.00 0.00 179.25 178.33 2wdz n SER 34 N -4.21 2.16 0.00 0.00 7.64 -0.62 -4.92 113.62 113.66 2wdz n SER 34 Ca 0.23 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2wdz n SER 34 Cb 1.15 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.34 2wdz n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdz n GLY 35 N 1.25 0.91 3.85 0.23 0.00 -0.58 -1.13 105.19 109.72 2wdz n GLY 35 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2wdz n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 36 N -2.00 3.47 0.11 4.61 0.00 -0.27 -3.41 121.76 124.27 2wdz s ALA 36 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 2wdz s ALA 36 Cb 0.00 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 2wdz s ALA 36 CO 0.00 0.41 0.37 1.03 0.00 0.00 0.00 175.76 177.58 2wdz s ARG 37 N -2.54 3.65 0.05 0.00 1.81 -0.28 -4.29 118.95 117.35 2wdz s ARG 37 Ca 0.47 -0.02 0.09 0.00 -1.72 0.00 0.00 55.73 54.55 2wdz s ARG 37 Cb -0.13 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.44 2wdz s ARG 37 CO 0.19 0.51 -0.26 -0.51 -0.68 0.00 0.00 175.30 174.55 2wdz s LEU 38 N -2.38 2.17 -0.29 2.53 1.43 0.37 -0.63 118.68 121.89 2wdz s LEU 38 Ca 0.38 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2wdz s LEU 38 Cb -0.13 -1.27 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2wdz s LEU 38 CO 0.22 0.25 -0.03 -0.63 0.23 0.00 0.00 176.35 176.39 2wdz s ILE 39 N -0.81 2.77 -0.10 -0.59 -1.09 -0.02 0.08 121.20 121.44 2wdz s ILE 39 Ca 0.12 -1.43 -0.20 0.00 -2.23 0.00 0.00 60.65 56.90 2wdz s ILE 39 Cb -0.10 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2wdz s ILE 39 CO 0.02 -0.07 0.55 -0.76 -1.23 0.00 0.00 174.94 173.45 2wdz s LEU 40 N 1.22 4.29 -0.04 2.97 1.43 -0.54 -1.23 118.68 126.78 2wdz s LEU 40 Ca -0.06 0.94 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 2wdz s LEU 40 Cb -0.20 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2wdz s LEU 40 CO -0.02 -0.04 -0.12 -0.63 0.23 0.00 0.00 176.35 175.77 2wdz s ILE 41 N 0.68 1.06 -0.20 -0.59 1.01 -0.15 -0.29 121.20 122.72 2wdz s ILE 41 Ca 0.30 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 2wdz s ILE 41 Cb -0.16 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.51 2wdz s ILE 41 CO 0.13 0.32 1.06 -0.62 0.00 0.00 0.00 174.94 175.84 2wdz s ASP 42 N 0.23 -0.33 0.43 3.58 -1.08 -1.14 -1.09 116.67 117.26 2wdz s ASP 42 Ca -0.05 0.42 0.24 0.00 -0.52 0.00 0.00 52.55 52.63 2wdz s ASP 42 Cb -0.11 0.35 0.60 0.00 -1.46 0.00 0.00 42.92 42.30 2wdz s ASP 42 CO 0.02 -0.26 1.69 0.08 0.52 0.00 0.00 175.17 177.22 2wdz h ARG 43 N 2.77 0.00 -4.78 4.34 0.11 -1.78 -1.74 114.38 113.30 2wdz h ARG 43 Ca -0.19 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.19 2wdz h ARG 43 Cb 1.17 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.06 2wdz h ARG 43 CO 0.26 0.15 -0.11 -2.00 0.10 0.00 0.00 179.97 178.37 2wdz s GLU 44 N -3.34 3.08 0.11 0.08 2.12 -1.26 -4.71 118.70 114.78 2wdz s GLU 44 Ca 0.04 -0.96 -0.27 0.00 0.36 0.00 0.00 54.97 54.14 2wdz s GLU 44 Cb 0.07 -4.07 -0.09 0.00 0.26 0.00 0.00 34.13 30.30 2wdz s GLU 44 CO 0.65 -1.07 1.65 0.00 -0.54 0.00 0.00 175.26 175.96 2wdz h ALA 45 N 8.86 -0.39 -0.20 6.30 0.00 -1.99 -1.72 119.26 130.12 2wdz h ALA 45 Ca -0.27 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2wdz h ALA 45 Cb 1.10 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 2wdz h ALA 45 CO 0.90 -0.76 -0.39 0.00 0.00 0.00 0.00 179.25 179.00 2wdz h ALA 46 N 0.34 -0.48 -0.36 0.00 0.00 -2.00 -2.03 119.26 114.73 2wdz h ALA 46 Ca 0.02 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2wdz h ALA 46 Cb 0.44 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2wdz h ALA 46 CO -0.11 -0.87 -0.08 0.00 0.00 0.00 0.00 179.25 178.19 2wdz h ALA 47 N 0.28 0.25 -0.33 0.00 0.00 -1.87 -2.88 119.26 114.72 2wdz h ALA 47 Ca 0.10 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2wdz h ALA 47 Cb 0.60 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2wdz h ALA 47 CO -0.43 -0.45 -0.05 -0.07 0.00 0.00 0.00 179.25 178.25 2wdz h LEU 48 N 0.01 -0.24 -1.33 0.00 3.38 -0.92 -0.56 115.31 115.65 2wdz h LEU 48 Ca 0.17 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 2wdz h LEU 48 Cb 0.26 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wdz h LEU 48 CO -0.36 -0.08 -0.08 0.44 0.09 0.00 0.00 178.44 178.45 2wdz h ASP 49 N 0.03 0.33 0.05 -0.43 5.19 -1.23 -0.18 116.42 120.19 2wdz h ASP 49 Ca 0.16 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2wdz h ASP 49 Cb 0.23 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2wdz h ASP 49 CO -0.31 0.46 -0.02 0.03 -3.12 0.00 0.00 179.24 176.27 2wdz h ARG 50 N 0.34 -0.06 -0.17 3.56 3.08 -1.28 -0.55 114.38 119.30 2wdz h ARG 50 Ca 0.07 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.17 2wdz h ARG 50 Cb 0.36 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 2wdz h ARG 50 CO 0.02 0.13 -0.46 0.00 -1.07 0.00 0.00 179.97 178.59 2wdz h ALA 51 N 0.70 -0.65 -0.34 0.04 0.00 -0.85 -2.18 119.26 115.98 2wdz h ALA 51 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wdz h ALA 51 Cb 0.22 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2wdz h ALA 51 CO 0.01 -0.96 0.22 0.00 0.00 0.00 0.00 179.25 178.52 2wdz h ALA 52 N 0.05 0.44 -0.43 0.00 0.00 -1.03 -1.39 119.26 116.90 2wdz h ALA 52 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2wdz h ALA 52 Cb 0.64 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2wdz h ALA 52 CO -0.44 -0.08 -0.16 0.37 0.00 0.00 0.00 179.25 178.95 2wdz h GLN 53 N 0.46 -0.06 -0.68 0.00 5.75 -0.94 -1.15 115.11 118.48 2wdz h GLN 53 Ca 0.12 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 2wdz h GLN 53 Cb -0.02 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2wdz h GLN 53 CO -0.03 -0.04 0.15 1.49 -2.65 0.00 0.00 178.83 177.76 2wdz h GLU 54 N -0.06 1.08 0.00 1.69 4.81 -1.05 -3.13 114.58 117.92 2wdz h GLU 54 Ca 0.21 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2wdz h GLU 54 Cb 0.38 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2wdz h GLU 54 CO -0.48 0.96 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.49 2wdz h LEU 55 N 1.03 0.00 0.00 1.64 3.38 -0.87 -3.48 115.31 117.00 2wdz h LEU 55 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wdz h LEU 55 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wdz h LEU 55 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2wdz n GLY 56 N 1.18 3.93 0.09 0.83 0.00 -0.47 -2.90 105.19 107.85 2wdz n GLY 56 Ca 0.04 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2wdz n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz n ALA 57 N 12.35 2.14 0.75 4.61 0.00 -1.26 -2.80 120.51 136.31 2wdz n ALA 57 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2wdz n ALA 57 Cb 0.00 -1.44 0.46 0.00 0.00 0.00 0.00 19.45 18.46 2wdz n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdz n ALA 58 N -1.73 1.97 -2.65 0.00 0.00 -1.14 -4.65 120.51 112.31 2wdz n ALA 58 Ca 0.05 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2wdz n ALA 58 Cb 0.37 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 2wdz n ALA 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdz s VAL 59 N -2.95 4.31 0.08 0.00 1.01 -1.12 0.14 120.40 121.88 2wdz s VAL 59 Ca 0.11 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 2wdz s VAL 59 Cb 0.14 -4.58 -0.21 0.00 0.00 0.00 0.00 36.38 31.72 2wdz s VAL 59 CO 0.37 -1.18 1.23 0.00 0.00 0.00 0.00 175.10 175.52 2wdz h ALA 60 N 9.37 0.18 -2.71 5.51 0.00 -0.62 -3.47 119.26 127.52 2wdz h ALA 60 Ca -0.26 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 53.92 2wdz h ALA 60 Cb 1.07 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2wdz h ALA 60 CO 1.11 0.69 -0.02 0.00 0.00 0.00 0.00 179.25 181.03 2wdz s ALA 61 N -3.44 -1.09 -0.12 0.00 0.00 -1.11 -4.98 121.76 111.02 2wdz s ALA 61 Ca -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 2wdz s ALA 61 Cb 0.07 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.85 2wdz s ALA 61 CO 0.92 -0.61 0.04 0.50 0.00 0.00 0.00 175.76 176.61 2wdz s ARG 62 N -3.38 0.38 -0.14 0.00 3.52 -1.26 -1.47 118.95 116.61 2wdz s ARG 62 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 2wdz s ARG 62 Cb 0.01 -1.34 0.02 0.00 -1.56 0.00 0.00 34.95 32.08 2wdz s ARG 62 CO -0.09 -0.46 -0.17 0.42 -0.81 0.00 0.00 175.30 174.19 2wdz s ILE 63 N 2.01 1.70 -0.58 4.11 1.01 0.60 -4.98 121.20 125.08 2wdz s ILE 63 Ca 0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 2wdz s ILE 63 Cb -0.14 -1.55 0.06 0.00 0.01 0.00 0.00 42.46 40.84 2wdz s ILE 63 CO -0.06 0.48 0.85 -0.69 0.00 0.00 0.00 174.94 175.52 2wdz s VAL 64 N 1.14 4.53 -0.09 2.92 1.01 -1.26 -2.90 120.40 125.75 2wdz s VAL 64 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2wdz s VAL 64 Cb -0.14 -4.52 0.04 0.00 0.00 0.00 0.00 36.38 31.75 2wdz s VAL 64 CO -0.06 -1.15 0.39 0.00 0.00 0.00 0.00 175.10 174.29 2wdz s ALA 65 N 3.54 -0.98 -0.28 5.51 0.00 -0.65 -4.96 121.76 123.93 2wdz s ALA 65 Ca 0.22 0.85 -0.19 0.00 0.00 0.00 0.00 51.96 52.84 2wdz s ALA 65 Cb -0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2wdz s ALA 65 CO 0.13 -0.23 0.58 0.34 0.00 0.00 0.00 175.76 176.59 2wdz s ASP 66 N -0.48 6.48 0.56 0.00 -1.08 -1.26 -2.30 116.67 118.60 2wdz s ASP 66 Ca -0.06 0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.71 2wdz s ASP 66 Cb -0.04 -2.31 1.62 0.00 -1.46 0.00 0.00 42.92 40.74 2wdz s ASP 66 CO 0.03 -0.39 2.21 -0.37 0.52 0.00 0.00 175.17 177.16 2wdz h VAL 67 N 5.48 0.68 0.00 1.11 -1.51 -1.96 -1.64 116.25 118.41 2wdz h VAL 67 Ca -0.27 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2wdz h VAL 67 Cb 1.13 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2wdz h VAL 67 CO 0.77 0.02 0.00 0.71 -1.23 0.00 0.00 177.57 177.83 2wdz h THR 68 N 0.00 0.00 -2.89 7.19 1.35 -1.87 -3.38 112.91 113.31 2wdz h THR 68 Ca -0.00 -0.42 -0.63 0.00 -0.55 0.00 0.00 66.41 64.80 2wdz h THR 68 Cb 0.04 1.33 -0.15 0.00 -1.73 0.00 0.00 68.15 67.64 2wdz h THR 68 CO 0.00 0.00 0.46 -0.62 -0.25 0.00 0.00 175.52 175.12 2wdz s ASP 69 N -5.20 6.22 0.26 5.36 -1.08 -0.62 -4.89 116.67 116.73 2wdz s ASP 69 Ca 0.02 -0.84 0.01 0.00 -0.52 0.00 0.00 52.55 51.23 2wdz s ASP 69 Cb 0.09 -2.40 0.35 0.00 -1.46 0.00 0.00 42.92 39.50 2wdz s ASP 69 CO 0.49 -1.30 1.69 0.00 0.52 0.00 0.00 175.17 176.58 2wdz h ALA 70 N 9.41 1.04 0.00 3.66 0.00 -1.84 -2.64 119.26 128.89 2wdz h ALA 70 Ca -0.28 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 2wdz h ALA 70 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wdz h ALA 70 CO 1.13 0.58 -0.48 1.05 0.00 0.00 0.00 179.25 181.53 2wdz h GLU 71 N 0.48 0.00 -0.24 0.00 4.11 -1.96 -0.60 114.58 116.38 2wdz h GLU 71 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 2wdz h GLU 71 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2wdz h GLU 71 CO 0.05 0.48 0.04 0.00 0.07 0.00 0.00 179.01 179.65 2wdz h ALA 72 N 1.52 1.63 0.04 1.06 0.00 -1.83 0.20 119.26 121.88 2wdz h ALA 72 Ca -0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 2wdz h ALA 72 Cb 0.95 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.66 2wdz h ALA 72 CO 0.06 0.28 -1.09 0.52 0.00 0.00 0.00 179.25 179.02 2wdz h MET 73 N 0.34 0.64 -0.22 0.00 2.86 -1.16 -0.38 114.93 117.02 2wdz h MET 73 Ca 0.08 -0.74 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 2wdz h MET 73 Cb 0.17 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2wdz h MET 73 CO -0.00 1.31 0.10 1.15 1.06 0.00 0.00 176.91 180.53 2wdz h THR 74 N 0.34 1.15 -0.63 2.22 2.02 -0.84 -2.15 112.91 115.01 2wdz h THR 74 Ca -0.14 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.67 2wdz h THR 74 Cb 1.75 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 69.15 2wdz h THR 74 CO 0.21 0.15 0.32 0.00 0.37 0.00 0.00 175.52 176.56 2wdz h ALA 75 N 0.95 0.84 -0.83 6.16 0.00 -0.68 -2.87 119.26 122.83 2wdz h ALA 75 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2wdz h ALA 75 Cb 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2wdz h ALA 75 CO -0.01 -0.05 0.40 0.00 0.00 0.00 0.00 179.25 179.60 2wdz h ALA 76 N 1.36 1.07 -0.70 0.00 0.00 -0.88 -2.19 119.26 117.92 2wdz h ALA 76 Ca 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wdz h ALA 76 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wdz h ALA 76 CO -0.22 0.64 0.32 0.00 0.00 0.00 0.00 179.25 179.99 2wdz h ALA 77 N 1.22 0.91 -0.59 0.00 0.00 -1.27 -0.31 119.26 119.22 2wdz h ALA 77 Ca 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2wdz h ALA 77 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wdz h ALA 77 CO -0.04 0.49 0.19 0.00 0.00 0.00 0.00 179.25 179.89 2wdz h ALA 78 N 1.15 0.77 0.09 0.00 0.00 -1.29 0.12 119.26 120.10 2wdz h ALA 78 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wdz h ALA 78 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wdz h ALA 78 CO -0.03 0.42 -0.04 1.49 0.00 0.00 0.00 179.25 181.09 2wdz h GLU 79 N 0.82 -0.11 -0.54 0.00 4.81 -1.27 -2.95 114.58 115.34 2wdz h GLU 79 Ca 0.19 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.52 2wdz h GLU 79 Cb 0.27 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.57 2wdz h GLU 79 CO -0.01 -0.01 -0.40 0.00 -0.73 0.00 0.00 179.01 177.86 2wdz h ALA 80 N 0.72 -0.27 -0.03 2.92 0.00 -0.87 -2.90 119.26 118.82 2wdz h ALA 80 Ca -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wdz h ALA 80 Cb 0.15 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2wdz h ALA 80 CO 0.02 -0.79 -0.17 0.93 0.00 0.00 0.00 179.25 179.24 2wdz h GLU 81 N -0.23 0.05 -0.57 0.00 4.39 -0.67 0.19 114.58 117.74 2wdz h GLU 81 Ca 0.18 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 2wdz h GLU 81 Cb 0.56 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2wdz h GLU 81 CO -0.66 0.22 0.08 0.00 -1.16 0.00 0.00 179.01 177.49 2wdz h ALA 82 N 1.79 0.76 0.09 3.43 0.00 -1.35 -3.37 119.26 120.61 2wdz h ALA 82 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.36 2wdz h ALA 82 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2wdz h ALA 82 CO 0.02 0.52 -1.59 0.28 0.00 0.00 0.00 179.25 178.49 2wdz h VAL 83 N 0.85 0.86 -2.35 0.00 2.07 -1.14 -3.47 116.25 113.07 2wdz h VAL 83 Ca 0.17 -2.33 -0.07 0.00 0.82 0.00 0.00 66.70 65.29 2wdz h VAL 83 Cb 0.44 2.53 -0.23 0.00 -1.52 0.00 0.00 31.29 32.51 2wdz h VAL 83 CO 0.01 0.69 -0.08 0.00 0.02 0.00 0.00 177.57 178.21 2wdz s ALA 84 N -2.48 -1.42 -0.04 1.67 0.00 0.58 -5.06 121.76 115.01 2wdz s ALA 84 Ca -0.23 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 2wdz s ALA 84 Cb 0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 2wdz s ALA 84 CO 0.73 -0.29 1.45 -1.25 0.00 0.00 0.00 175.76 176.40 2wdz s PRO 85 N 0.69 4.24 -0.37 0.00 0.04 -1.26 -3.98 135.00 134.36 2wdz s PRO 85 Ca -0.03 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.74 2wdz s PRO 85 Cb -0.05 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.79 2wdz s PRO 85 CO -0.05 -0.67 0.89 0.08 0.04 0.00 0.00 177.00 177.29 2wdz s VAL 86 N 3.01 4.62 -1.04 -0.36 1.01 -1.26 -4.03 120.40 122.35 2wdz s VAL 86 Ca 0.65 1.09 0.12 0.00 0.00 0.00 0.00 61.98 63.84 2wdz s VAL 86 Cb -0.31 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 2wdz s VAL 86 CO 0.25 -0.52 0.68 -1.54 0.00 0.00 0.00 175.10 173.97 2wdz n SER 87 N 6.69 1.26 -3.90 3.32 3.41 -0.25 -4.59 113.62 119.56 2wdz n SER 87 Ca 0.06 -1.13 -0.18 0.00 -0.26 0.00 0.00 58.87 57.36 2wdz n SER 87 Cb 0.48 0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 64.81 2wdz n SER 87 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wdz s ILE 88 N -1.62 0.41 -0.08 -1.33 1.01 -0.94 -1.82 121.20 116.84 2wdz s ILE 88 Ca 0.09 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2wdz s ILE 88 Cb 0.10 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.16 2wdz s ILE 88 CO 0.33 0.17 -0.15 -0.22 0.00 0.00 0.00 174.94 175.06 2wdz s LEU 89 N 0.54 1.75 -0.27 2.97 2.96 -0.58 -0.57 118.68 125.48 2wdz s LEU 89 Ca -0.06 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2wdz s LEU 89 Cb -0.10 -1.01 0.04 0.00 0.50 0.00 0.00 46.19 45.62 2wdz s LEU 89 CO -0.00 0.05 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.34 2wdz s VAL 90 N 0.68 2.83 -0.91 1.68 1.01 -0.04 -0.54 120.40 125.11 2wdz s VAL 90 Ca -0.14 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 2wdz s VAL 90 Cb -0.16 -2.52 0.15 0.00 0.00 0.00 0.00 36.38 33.85 2wdz s VAL 90 CO 0.04 0.08 1.05 0.20 0.00 0.00 0.00 175.10 176.47 2wdz s ASN 91 N 1.28 6.67 -0.00 3.32 -0.87 -0.50 -1.40 114.94 123.44 2wdz s ASN 91 Ca -0.02 -2.22 0.16 0.00 -1.57 0.00 0.00 52.86 49.21 2wdz s ASN 91 Cb -0.18 -2.36 -0.18 0.00 -0.02 0.00 0.00 41.25 38.52 2wdz s ASN 91 CO -0.04 -0.94 0.64 -0.24 -2.57 0.00 0.00 177.10 173.96 2wdz n SER 92 N 5.93 0.78 -4.67 -1.22 2.88 -0.98 -1.49 113.62 114.85 2wdz n SER 92 Ca 0.22 -0.80 -0.42 0.00 -1.33 0.00 0.00 58.87 56.54 2wdz n SER 92 Cb 0.48 1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 64.97 2wdz n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdz s ALA 93 N -2.54 3.65 0.05 -1.46 0.00 -1.09 -4.68 121.76 115.69 2wdz s ALA 93 Ca 0.05 1.35 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 2wdz s ALA 93 Cb 0.12 -3.81 0.09 0.00 0.00 0.00 0.00 23.12 19.52 2wdz s ALA 93 CO 0.65 -1.44 0.82 0.20 0.00 0.00 0.00 175.76 175.98 2wdz s GLY 94 N 3.80 -0.48 0.16 0.00 0.00 -1.26 -4.68 107.32 104.85 2wdz s GLY 94 Ca 0.85 0.82 0.01 0.00 0.00 0.00 0.00 44.72 46.40 2wdz s GLY 94 CO 0.39 0.27 0.02 -0.26 0.00 0.00 0.00 173.10 173.52 2wdz s ILE 95 N -3.29 0.49 -0.15 0.90 -4.36 -1.26 -5.05 121.20 108.47 2wdz s ILE 95 Ca 0.04 -1.96 -0.07 0.00 -0.26 0.00 0.00 60.65 58.41 2wdz s ILE 95 Cb -0.01 -2.11 0.06 0.00 1.25 0.00 0.00 42.46 41.65 2wdz s ILE 95 CO -0.09 -0.46 0.34 0.00 0.24 0.00 0.00 174.94 174.98 2wdz s ALA 96 N -3.79 -0.85 -0.09 2.27 0.00 -1.26 -4.93 121.76 113.11 2wdz s ALA 96 Ca 0.24 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.51 2wdz s ALA 96 Cb 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2wdz s ALA 96 CO 0.04 -0.43 -0.19 1.03 0.00 0.00 0.00 175.76 176.20 2wdz s ARG 97 N 1.83 2.54 0.15 0.00 1.81 -1.26 -5.12 118.95 118.91 2wdz s ARG 97 Ca -0.06 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 52.95 2wdz s ARG 97 Cb -0.10 -1.98 -0.08 0.00 -0.45 0.00 0.00 34.95 32.33 2wdz s ARG 97 CO -0.11 0.09 1.32 -0.51 -0.68 0.00 0.00 175.30 175.42 2wdz s LEU 98 N 0.54 4.40 -0.04 2.53 1.43 -1.26 -4.64 118.68 121.64 2wdz s LEU 98 Ca -0.16 2.33 -0.25 0.00 -1.03 0.00 0.00 54.13 55.03 2wdz s LEU 98 Cb -0.17 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.51 2wdz s LEU 98 CO 0.06 -0.56 0.54 -1.38 0.23 0.00 0.00 176.35 175.24 2wdz s HIS 99 N 0.55 -0.49 0.17 0.29 -3.43 -0.33 -4.98 115.29 107.07 2wdz s HIS 99 Ca 0.59 0.84 -0.29 0.00 -0.80 0.00 0.00 55.06 55.41 2wdz s HIS 99 Cb -0.36 0.29 -0.07 0.00 -1.43 0.00 0.00 32.58 31.01 2wdz s HIS 99 CO 0.34 -0.52 0.90 -0.51 -2.00 0.00 0.00 174.74 172.96 2wdz s ASP 100 N -1.19 7.51 0.26 7.38 -0.00 -1.26 -3.66 116.67 125.72 2wdz s ASP 100 Ca -0.12 1.80 -0.01 0.00 -0.00 0.00 0.00 52.55 54.22 2wdz s ASP 100 Cb -0.02 -2.57 0.57 0.00 -0.00 0.00 0.00 42.92 40.90 2wdz s ASP 100 CO 0.08 0.08 1.71 0.00 -0.00 0.00 0.00 175.17 177.03 2wdz h ALA 101 N 4.80 1.19 0.00 5.23 0.00 -1.98 -0.82 119.26 127.68 2wdz h ALA 101 Ca -0.45 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wdz h ALA 101 Cb 1.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wdz h ALA 101 CO 0.69 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2wdz n LEU 102 N -5.05 0.00 -1.45 0.00 4.77 -1.26 -3.16 117.00 110.86 2wdz n LEU 102 Ca 0.17 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.54 2wdz n LEU 102 Cb 0.52 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2wdz n LEU 102 CO 0.15 -0.02 0.25 -0.62 -1.33 0.00 0.00 177.39 175.82 2wdz n GLU 103 N -1.50 2.71 -3.22 3.23 -0.58 -0.37 -5.05 120.64 115.86 2wdz n GLU 103 Ca 0.07 -3.78 -0.39 0.00 -0.42 0.00 0.00 57.16 52.64 2wdz n GLU 103 Cb 0.33 -1.97 -0.06 0.00 -0.57 0.00 0.00 31.44 29.17 2wdz n GLU 103 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2wdz s THR 104 N -3.97 5.09 0.17 2.62 2.01 -0.88 -4.63 115.64 116.05 2wdz s THR 104 Ca 0.45 1.14 -0.13 0.00 0.31 0.00 0.00 61.69 63.47 2wdz s THR 104 Cb 0.39 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 2wdz s THR 104 CO -0.01 0.33 0.55 1.51 -0.69 0.00 0.00 174.62 176.31 2wdz s ASP 105 N 0.47 6.76 0.51 3.53 1.47 -1.26 -4.96 116.67 123.19 2wdz s ASP 105 Ca 0.30 1.02 0.22 0.00 1.18 0.00 0.00 52.55 55.28 2wdz s ASP 105 Cb -0.16 -2.27 1.32 0.00 -0.34 0.00 0.00 42.92 41.47 2wdz s ASP 105 CO 0.14 0.05 2.01 0.44 0.68 0.00 0.00 175.17 178.49 2wdz h ASP 106 N 3.25 0.06 -0.29 2.11 3.32 -2.00 -1.88 116.42 120.98 2wdz h ASP 106 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.41 2wdz h ASP 106 Cb 1.19 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2wdz h ASP 106 CO 0.67 0.03 -0.45 0.00 -1.72 0.00 0.00 179.24 177.78 2wdz h ALA 107 N 1.76 0.58 0.78 3.45 0.00 -1.99 -0.73 119.26 123.10 2wdz h ALA 107 Ca 0.23 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2wdz h ALA 107 Cb 0.83 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wdz h ALA 107 CO -0.02 0.68 -0.47 1.15 0.00 0.00 0.00 179.25 180.59 2wdz h THR 108 N 0.69 0.05 -0.53 0.00 2.02 -1.75 -0.81 112.91 112.59 2wdz h THR 108 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.33 2wdz h THR 108 Cb 1.03 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.39 2wdz h THR 108 CO 0.10 0.00 -0.22 -0.25 0.37 0.00 0.00 175.52 175.52 2wdz h TRP 109 N -1.17 -0.55 -0.46 3.16 2.91 -1.55 -1.82 115.95 116.49 2wdz h TRP 109 Ca -0.10 0.06 -0.09 0.00 1.13 0.00 0.00 58.89 59.88 2wdz h TRP 109 Cb 0.93 0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 2wdz h TRP 109 CO -0.10 -0.31 -0.09 0.00 -1.03 0.00 0.00 178.44 176.92 2wdz h ARG 110 N -0.09 0.81 -0.31 2.65 2.47 -0.98 -2.67 114.38 116.26 2wdz h ARG 110 Ca 0.25 -0.26 -0.16 0.00 -1.26 0.00 0.00 59.98 58.54 2wdz h ARG 110 Cb 0.48 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2wdz h ARG 110 CO -0.59 0.87 -0.44 0.37 0.56 0.00 0.00 179.97 180.74 2wdz h GLN 111 N 0.74 0.79 -0.23 0.04 5.75 -0.87 -0.17 115.11 121.16 2wdz h GLN 111 Ca 0.13 -0.44 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 2wdz h GLN 111 Cb 0.57 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 2wdz h GLN 111 CO 0.04 1.07 -0.03 0.28 -2.65 0.00 0.00 178.83 177.53 2wdz h VAL 112 N 0.64 1.27 -0.68 2.39 2.07 -1.19 -0.31 116.25 120.44 2wdz h VAL 112 Ca 0.04 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2wdz h VAL 112 Cb 1.01 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2wdz h VAL 112 CO 0.10 0.31 0.35 0.24 0.02 0.00 0.00 177.57 178.58 2wdz h MET 113 N 0.18 0.97 0.25 1.57 2.86 -1.43 -0.95 114.93 118.38 2wdz h MET 113 Ca 0.06 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2wdz h MET 113 Cb 0.47 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2wdz h MET 113 CO 0.02 0.75 -0.15 0.00 1.06 0.00 0.00 176.91 178.59 2wdz h ALA 114 N 1.17 -0.38 0.13 6.32 0.00 -0.90 -2.24 119.26 123.37 2wdz h ALA 114 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wdz h ALA 114 Cb 0.08 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wdz h ALA 114 CO -0.03 -0.72 -0.06 0.28 0.00 0.00 0.00 179.25 178.72 2wdz h VAL 115 N -0.39 1.00 0.00 0.00 2.07 -1.02 0.43 116.25 118.34 2wdz h VAL 115 Ca -0.03 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2wdz h VAL 115 Cb 0.32 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2wdz h VAL 115 CO 0.03 0.13 -0.48 0.78 0.02 0.00 0.00 177.57 178.05 2wdz h ASN 116 N -0.43 0.00 0.00 0.57 4.21 -1.24 -3.26 115.58 115.42 2wdz h ASN 116 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2wdz h ASN 116 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2wdz h ASN 116 CO 0.03 0.48 -0.01 0.52 -1.29 0.00 0.00 177.43 177.16 2wdz n VAL 117 N -3.49 0.90 0.11 2.81 0.31 -0.94 -4.46 118.33 113.57 2wdz n VAL 117 Ca 0.00 0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 2wdz n VAL 117 Cb 0.60 -1.30 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 2wdz n VAL 117 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wdz h ASP 118 N 0.00 -0.33 -1.00 4.52 3.32 -1.36 -0.79 116.42 120.79 2wdz h ASP 118 Ca 0.00 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.23 2wdz h ASP 118 Cb 0.01 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.58 2wdz h ASP 118 CO 0.00 -0.19 0.62 1.23 -1.72 0.00 0.00 179.24 179.18 2wdz h GLY 119 N -0.28 1.66 1.30 2.75 0.00 -0.94 -0.16 103.07 107.39 2wdz h GLY 119 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 2wdz h GLY 119 CO -0.03 0.06 -0.13 1.98 0.00 0.00 0.00 176.54 178.43 2wdz h MET 120 N 0.87 0.82 -0.27 4.80 1.85 -1.55 -0.93 114.93 120.52 2wdz h MET 120 Ca 0.53 -0.29 -0.07 0.00 -0.61 0.00 0.00 59.70 59.26 2wdz h MET 120 Cb 0.69 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.65 2wdz h MET 120 CO -0.31 0.91 -0.10 0.35 -0.40 0.00 0.00 176.91 177.36 2wdz h PHE 121 N 0.74 0.62 -0.44 1.39 3.57 0.39 -1.71 116.94 121.49 2wdz h PHE 121 Ca 0.12 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2wdz h PHE 121 Cb 0.63 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2wdz h PHE 121 CO 0.03 0.77 0.28 -1.49 -2.23 0.00 0.00 178.31 175.67 2wdz h TRP 122 N 0.29 0.52 -0.37 0.41 -0.00 -0.98 0.20 115.95 116.03 2wdz h TRP 122 Ca 0.07 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.94 2wdz h TRP 122 Cb 0.59 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 2wdz h TRP 122 CO 0.06 0.31 0.12 0.00 -0.00 0.00 0.00 178.44 178.93 2wdz h ALA 123 N 1.18 0.48 -0.70 1.49 0.00 -1.22 -0.93 119.26 119.56 2wdz h ALA 123 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2wdz h ALA 123 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2wdz h ALA 123 CO -0.06 0.11 0.17 0.77 0.00 0.00 0.00 179.25 180.24 2wdz h SER 124 N 0.44 1.07 -0.39 0.00 0.02 -1.06 -1.03 113.55 112.60 2wdz h SER 124 Ca 0.12 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2wdz h SER 124 Cb 0.24 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2wdz h SER 124 CO -0.01 1.02 0.07 -0.09 -1.14 0.00 0.00 176.83 176.69 2wdz h ARG 125 N 1.06 0.63 0.46 3.45 2.43 -0.55 0.18 114.38 122.04 2wdz h ARG 125 Ca 0.22 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2wdz h ARG 125 Cb 0.37 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2wdz h ARG 125 CO 0.00 0.68 -0.22 0.00 -1.51 0.00 0.00 179.97 178.92 2wdz h ALA 126 N 0.93 -0.61 0.01 2.80 0.00 -0.94 -2.95 119.26 118.49 2wdz h ALA 126 Ca 0.12 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2wdz h ALA 126 Cb 0.35 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2wdz h ALA 126 CO 0.01 -0.77 -1.12 0.74 0.00 0.00 0.00 179.25 178.11 2wdz h PHE 127 N -0.77 0.03 0.00 0.00 0.04 -1.29 -3.23 116.94 111.72 2wdz h PHE 127 Ca -0.06 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2wdz h PHE 127 Cb 0.54 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 2wdz h PHE 127 CO -0.01 1.02 -0.09 0.78 -0.60 0.00 0.00 178.31 179.41 2wdz h GLY 128 N 2.97 0.00 -0.24 -1.45 0.00 -0.68 -3.23 103.07 100.44 2wdz h GLY 128 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.35 2wdz h GLY 128 CO 0.13 0.00 -0.39 -0.09 0.00 0.00 0.00 176.54 176.19 2wdz h ARG 129 N 0.00 -0.29 -0.15 4.80 2.43 -1.54 0.30 114.38 119.94 2wdz h ARG 129 Ca -0.00 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 2wdz h ARG 129 Cb 0.21 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2wdz h ARG 129 CO 0.01 -0.19 -0.55 0.00 -1.51 0.00 0.00 179.97 177.73 2wdz h ALA 130 N 0.56 0.77 0.11 2.80 0.00 -1.77 -1.17 119.26 120.56 2wdz h ALA 130 Ca 0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2wdz h ALA 130 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wdz h ALA 130 CO -0.56 0.69 -0.05 0.52 0.00 0.00 0.00 179.25 179.85 2wdz h MET 131 N 0.35 -0.14 -0.73 0.00 2.86 -1.50 -2.09 114.93 113.68 2wdz h MET 131 Ca 0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2wdz h MET 131 Cb 1.07 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 2wdz h MET 131 CO 0.10 -0.05 0.48 0.28 1.06 0.00 0.00 176.91 178.78 2wdz h VAL 132 N -0.19 1.18 -0.72 -2.22 2.07 -0.19 -1.15 116.25 115.02 2wdz h VAL 132 Ca -0.02 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2wdz h VAL 132 Cb 0.15 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2wdz h VAL 132 CO 0.02 0.18 0.27 0.00 0.02 0.00 0.00 177.57 178.06 2wdz h ALA 133 N 1.55 0.93 0.00 1.67 0.00 -1.05 -2.50 119.26 119.87 2wdz h ALA 133 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wdz h ALA 133 Cb -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2wdz h ALA 133 CO -0.06 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.30 2wdz n ARG 134 N -4.34 0.02 -3.24 0.00 1.74 -0.80 -4.93 116.66 105.11 2wdz n ARG 134 Ca 0.06 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 2wdz n ARG 134 Cb 0.19 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 2wdz n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdz n GLY 135 N 0.79 -0.52 3.49 -0.13 0.00 -0.49 -5.01 105.19 103.32 2wdz n GLY 135 Ca 0.06 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wdz n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 136 N -3.16 -1.52 0.00 4.61 0.00 -0.85 -4.17 121.76 116.67 2wdz s ALA 136 Ca 0.39 1.92 0.00 0.00 0.00 0.00 0.00 51.96 54.28 2wdz s ALA 136 Cb -0.18 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2wdz s ALA 136 CO 0.49 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2wdz n GLY 137 N 3.73 -0.82 3.08 0.00 0.00 -0.89 -4.53 105.19 105.76 2wdz n GLY 137 Ca -0.19 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2wdz n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 138 N -2.00 -0.54 0.00 4.61 0.00 -0.76 -1.47 121.76 121.61 2wdz s ALA 138 Ca 0.00 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.78 2wdz s ALA 138 Cb 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2wdz s ALA 138 CO 0.00 -0.14 -0.19 0.42 0.00 0.00 0.00 175.76 175.85 2wdz s ILE 139 N 0.56 1.49 -0.12 0.00 1.01 -0.23 -1.53 121.20 122.38 2wdz s ILE 139 Ca -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 2wdz s ILE 139 Cb -0.05 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.19 2wdz s ILE 139 CO -0.03 0.33 -0.06 -0.69 0.00 0.00 0.00 174.94 174.49 2wdz s VAL 140 N -0.56 0.94 -0.10 2.92 1.01 0.30 -2.20 120.40 122.71 2wdz s VAL 140 Ca 0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 2wdz s VAL 140 Cb -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2wdz s VAL 140 CO 0.00 0.31 0.19 0.20 0.00 0.00 0.00 175.10 175.80 2wdz s ASN 141 N 1.74 6.46 -0.80 3.32 0.01 -0.16 -1.41 114.94 124.10 2wdz s ASN 141 Ca 0.04 0.55 -0.24 0.00 -0.71 0.00 0.00 52.86 52.51 2wdz s ASN 141 Cb -0.13 -2.10 0.06 0.00 0.41 0.00 0.00 41.25 39.49 2wdz s ASN 141 CO -0.08 0.39 1.20 -0.76 -1.51 0.00 0.00 177.10 176.34 2wdz s LEU 142 N -1.07 3.84 0.00 0.60 1.02 -0.56 -1.35 118.68 121.16 2wdz s LEU 142 Ca 0.17 -1.02 0.00 0.00 0.02 0.00 0.00 54.13 53.30 2wdz s LEU 142 Cb -0.13 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.58 2wdz s LEU 142 CO 0.06 -1.55 0.00 0.61 0.02 0.00 0.00 176.35 175.49 2wdz n GLY 143 N 5.69 1.28 3.49 -3.19 0.00 0.70 -4.97 105.19 108.19 2wdz n GLY 143 Ca 0.10 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2wdz n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdz s SER 144 N -1.00 -0.40 0.48 1.61 0.15 -1.24 -4.40 113.70 108.91 2wdz s SER 144 Ca 0.00 0.00 0.20 0.00 0.70 0.00 0.00 55.95 56.86 2wdz s SER 144 Cb 0.00 0.42 1.23 0.00 -1.71 0.00 0.00 66.02 65.96 2wdz s SER 144 CO 0.00 -0.67 1.97 0.00 1.20 0.00 0.00 173.24 175.74 2wdz h MET 145 N 2.00 0.19 0.00 5.44 -0.00 -1.05 -1.02 114.93 120.50 2wdz h MET 145 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.45 2wdz h MET 145 Cb 1.25 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 2wdz h MET 145 CO 0.32 0.13 0.10 0.43 -0.00 0.00 0.00 176.91 177.88 2wdz n SER 146 N -4.42 0.06 -0.08 -0.10 7.64 -1.26 -0.00 113.62 115.46 2wdz n SER 146 Ca 0.11 0.44 0.12 0.00 1.01 0.00 0.00 58.87 60.56 2wdz n SER 146 Cb 0.55 -0.44 0.24 0.00 -1.01 0.00 0.00 64.21 63.55 2wdz n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdz n GLY 147 N -1.39 -1.03 0.52 0.23 0.00 -0.38 -4.39 105.19 98.74 2wdz n GLY 147 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 2wdz n GLY 147 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdz n THR 148 N -1.24 0.89 -4.56 2.61 -1.04 1.00 -4.22 114.28 107.72 2wdz n THR 148 Ca 0.07 -0.18 -0.26 0.00 -2.04 0.00 0.00 64.05 61.65 2wdz n THR 148 Cb 0.34 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.05 2wdz n THR 148 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2wdz n ILE 149 N -3.72 0.00 -4.40 12.58 -6.64 -0.57 -5.15 119.36 111.47 2wdz n ILE 149 Ca -0.29 -2.15 -0.34 0.00 -1.77 0.00 0.00 62.75 58.21 2wdz n ILE 149 Cb 0.68 0.60 -0.15 0.00 -1.44 0.00 0.00 39.64 39.34 2wdz n ILE 149 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 2wdz s VAL 150 N -2.79 2.93 0.73 7.28 1.01 -1.26 -4.18 120.40 124.12 2wdz s VAL 150 Ca 0.10 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2wdz s VAL 150 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2wdz s VAL 150 CO 0.07 0.50 0.80 0.59 0.00 0.00 0.00 175.10 177.05 2wdz n ASN 151 N 4.14 -0.18 -4.03 3.32 3.02 -1.26 -5.05 115.26 115.22 2wdz n ASN 151 Ca -0.19 0.63 -0.08 0.00 -0.03 0.00 0.00 54.58 54.92 2wdz n ASN 151 Cb 0.52 -1.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.26 2wdz n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdz s ARG 152 N -3.14 0.61 0.02 3.52 1.70 -1.26 -4.59 118.95 115.81 2wdz s ARG 152 Ca 0.70 -1.06 0.28 0.00 -0.47 0.00 0.00 55.73 55.18 2wdz s ARG 152 Cb -0.34 0.22 0.99 0.00 -0.57 0.00 0.00 34.95 35.25 2wdz s ARG 152 CO 0.53 -0.13 1.77 -0.35 -1.08 0.00 0.00 175.30 176.04 2wdz n PRO 153 N 0.33 0.03 -2.16 3.89 -0.04 -1.26 -4.71 135.00 131.08 2wdz n PRO 153 Ca -0.16 0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 2wdz n PRO 153 Cb 0.60 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2wdz n PRO 153 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2wdz s GLN 154 N -3.01 3.35 -0.06 0.54 0.00 -1.26 -5.05 119.66 114.16 2wdz s GLN 154 Ca 0.13 1.38 0.01 0.00 -0.00 0.00 0.00 55.36 56.88 2wdz s GLN 154 Cb 0.18 -2.03 -0.03 0.00 0.00 0.00 0.00 33.01 31.14 2wdz s GLN 154 CO 0.58 -0.81 -0.08 -0.06 0.00 0.00 0.00 175.29 174.92 2wdz s PHE 155 N -2.15 2.88 -0.42 9.60 2.99 -1.26 -4.82 117.98 124.81 2wdz s PHE 155 Ca 0.67 -0.02 0.06 0.00 0.00 0.00 0.00 56.93 57.64 2wdz s PHE 155 Cb -0.19 -1.69 0.32 0.00 0.00 0.00 0.00 43.02 41.46 2wdz s PHE 155 CO 0.31 0.30 1.21 0.00 -0.00 0.00 0.00 175.22 177.04 2wdz n ALA 156 N 2.22 -1.32 -0.19 5.36 0.00 -1.24 -1.19 120.51 124.16 2wdz n ALA 156 Ca -0.18 -1.15 0.18 0.00 0.00 0.00 0.00 53.44 52.29 2wdz n ALA 156 Cb 0.53 -1.66 0.53 0.00 0.00 0.00 0.00 19.45 18.85 2wdz n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdz h SER 157 N 2.68 0.35 -0.68 0.00 4.64 -1.89 -0.17 113.55 118.48 2wdz h SER 157 Ca -0.18 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 2wdz h SER 157 Cb 1.15 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2wdz h SER 157 CO 0.08 0.16 0.27 0.77 -0.87 0.00 0.00 176.83 177.24 2wdz h SER 158 N 0.36 0.94 -0.34 4.97 4.64 -1.94 -0.71 113.55 121.48 2wdz h SER 158 Ca 0.40 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2wdz h SER 158 Cb 1.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 2wdz h SER 158 CO -0.13 0.86 0.18 0.22 -0.87 0.00 0.00 176.83 177.10 2wdz h TYR 159 N 0.97 0.46 0.26 4.77 3.20 -1.35 -0.63 116.97 124.65 2wdz h TYR 159 Ca 0.23 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2wdz h TYR 159 Cb 0.21 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2wdz h TYR 159 CO 0.01 0.37 -0.14 0.52 -1.64 0.00 0.00 178.16 177.28 2wdz h MET 160 N 0.42 -0.36 -0.67 1.82 2.86 -1.31 -0.99 114.93 116.71 2wdz h MET 160 Ca 0.12 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.92 2wdz h MET 160 Cb 0.06 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 31.70 2wdz h MET 160 CO -0.02 -0.24 0.13 0.00 1.06 0.00 0.00 176.91 177.84 2wdz h ALA 161 N 0.37 0.80 -0.70 6.32 0.00 -1.14 -1.91 119.26 122.99 2wdz h ALA 161 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wdz h ALA 161 Cb 0.30 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2wdz h ALA 161 CO 0.04 -0.33 0.26 0.66 0.00 0.00 0.00 179.25 179.88 2wdz h SER 162 N 0.24 0.96 0.31 0.00 4.64 -0.57 -2.20 113.55 116.93 2wdz h SER 162 Ca 0.36 -0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.32 2wdz h SER 162 Cb 0.58 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2wdz h SER 162 CO -0.47 0.87 -0.88 0.11 -0.87 0.00 0.00 176.83 175.59 2wdz h LYS 163 N 1.01 0.41 -0.44 4.77 1.79 -0.85 -0.91 116.57 122.36 2wdz h LYS 163 Ca 0.23 -0.41 0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2wdz h LYS 163 Cb 0.22 0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 2wdz h LYS 163 CO -0.02 1.07 -0.13 0.78 -1.08 0.00 0.00 179.45 180.07 2wdz h GLY 164 N 1.25 0.28 1.00 3.86 0.00 -1.21 -1.35 103.07 106.89 2wdz h GLY 164 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2wdz h GLY 164 CO 0.15 -0.18 0.39 0.00 0.00 0.00 0.00 176.54 176.90 2wdz h ALA 165 N 1.39 0.77 -0.48 3.60 0.00 -1.18 -2.42 119.26 120.95 2wdz h ALA 165 Ca 0.21 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2wdz h ALA 165 Cb 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2wdz h ALA 165 CO -0.47 0.22 0.24 0.28 0.00 0.00 0.00 179.25 179.51 2wdz h VAL 166 N 0.82 0.96 -0.65 0.00 2.07 -0.55 0.21 116.25 119.11 2wdz h VAL 166 Ca 0.22 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 2wdz h VAL 166 Cb -0.07 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2wdz h VAL 166 CO -0.05 0.09 0.07 0.45 0.02 0.00 0.00 177.57 178.15 2wdz h HIS 167 N 0.47 1.18 0.12 1.57 3.86 -1.11 -0.81 115.15 120.43 2wdz h HIS 167 Ca 0.21 -0.18 -0.27 0.00 -1.16 0.00 0.00 60.37 58.97 2wdz h HIS 167 Cb 0.12 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2wdz h HIS 167 CO -0.10 1.00 -1.27 1.96 0.86 0.00 0.00 177.93 180.38 2wdz h GLN 168 N 1.02 0.25 -0.47 2.45 1.08 -0.89 -2.58 115.11 115.97 2wdz h GLN 168 Ca 0.19 -0.43 0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2wdz h GLN 168 Cb 0.49 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.99 2wdz h GLN 168 CO 0.02 1.19 -0.07 1.25 -0.95 0.00 0.00 178.83 180.27 2wdz h LEU 169 N 0.07 -0.34 -0.26 1.46 6.46 -0.57 0.17 115.31 122.30 2wdz h LEU 169 Ca -0.14 0.13 0.06 0.00 -0.12 0.00 0.00 57.88 57.81 2wdz h LEU 169 Cb 1.97 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 42.07 2wdz h LEU 169 CO 0.19 -0.12 -0.29 0.74 -0.62 0.00 0.00 178.44 178.34 2wdz h THR 170 N 0.04 0.30 -0.73 1.05 2.02 -0.99 -1.48 112.91 113.13 2wdz h THR 170 Ca 0.23 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 2wdz h THR 170 Cb 0.35 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2wdz h THR 170 CO -0.44 0.00 0.24 0.03 0.37 0.00 0.00 175.52 175.72 2wdz h ARG 171 N -0.29 1.11 -0.22 6.66 3.08 -1.19 -0.70 114.38 122.82 2wdz h ARG 171 Ca 0.14 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2wdz h ARG 171 Cb 0.51 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2wdz h ARG 171 CO -0.43 0.94 0.09 0.00 -1.07 0.00 0.00 179.97 179.50 2wdz h ALA 172 N 1.18 0.29 -0.41 0.04 0.00 -0.27 0.90 119.26 120.99 2wdz h ALA 172 Ca 0.24 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2wdz h ALA 172 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wdz h ALA 172 CO -0.01 -0.12 -0.31 -0.07 0.00 0.00 0.00 179.25 178.74 2wdz h LEU 173 N 0.21 0.97 -0.40 0.00 3.38 -1.23 -1.47 115.31 116.76 2wdz h LEU 173 Ca 0.07 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.71 2wdz h LEU 173 Cb 0.18 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2wdz h LEU 173 CO -0.01 1.19 0.04 0.00 0.09 0.00 0.00 178.44 179.76 2wdz h ALA 174 N 0.86 0.41 -0.54 1.53 0.00 -0.90 -0.45 119.26 120.17 2wdz h ALA 174 Ca 0.08 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2wdz h ALA 174 Cb 0.89 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2wdz h ALA 174 CO 0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 179.25 178.89 2wdz h ALA 175 N 1.33 0.74 -0.43 0.00 0.00 -0.69 -1.78 119.26 118.43 2wdz h ALA 175 Ca 0.20 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2wdz h ALA 175 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wdz h ALA 175 CO -0.30 0.63 -0.21 1.49 0.00 0.00 0.00 179.25 180.87 2wdz h GLU 176 N 0.88 0.85 -0.23 0.00 4.81 -0.80 -3.28 114.58 116.82 2wdz h GLU 176 Ca 0.14 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2wdz h GLU 176 Cb 0.64 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2wdz h GLU 176 CO 0.04 0.98 0.00 0.91 -0.73 0.00 0.00 179.01 180.21 2wdz n TRP 177 N -4.12 0.28 -0.08 0.92 8.01 -0.22 -4.60 117.44 117.63 2wdz n TRP 177 Ca 0.00 -0.19 -0.07 0.00 -1.31 0.00 0.00 57.50 55.93 2wdz n TRP 177 Cb 0.43 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 2wdz n TRP 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2wdz h ALA 178 N 3.34 0.32 0.00 6.99 0.00 -1.38 -1.76 119.26 126.77 2wdz h ALA 178 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wdz h ALA 178 Cb 0.78 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wdz h ALA 178 CO 0.00 -0.35 0.00 0.78 0.00 0.00 0.00 179.25 179.68 2wdz h GLY 179 N 0.16 0.00 -1.61 0.00 0.00 -1.81 -2.51 103.07 97.30 2wdz h GLY 179 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wdz h GLY 179 CO -0.20 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.88 2wdz n ARG 180 N -3.03 2.94 -0.92 4.80 1.74 -0.73 -4.99 116.66 116.47 2wdz n ARG 180 Ca -0.01 -2.83 0.00 0.00 -0.77 0.00 0.00 57.85 54.24 2wdz n ARG 180 Cb 0.18 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2wdz n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdz n GLY 181 N -0.47 0.50 3.41 -0.13 0.00 -0.91 -3.83 105.19 103.76 2wdz n GLY 181 Ca 0.21 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2wdz n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdz s VAL 182 N -2.00 4.09 0.23 1.61 1.01 -0.80 -2.10 120.40 122.43 2wdz s VAL 182 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 2wdz s VAL 182 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 2wdz s VAL 182 CO 0.00 0.34 0.70 -0.13 0.00 0.00 0.00 175.10 176.01 2wdz s ARG 183 N 1.58 4.17 -0.06 2.72 0.52 -0.54 -3.88 118.95 123.45 2wdz s ARG 183 Ca 0.06 0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 56.03 2wdz s ARG 183 Cb -0.15 -2.80 0.04 0.00 0.52 0.00 0.00 34.95 32.56 2wdz s ARG 183 CO 0.02 0.36 0.11 0.08 0.02 0.00 0.00 175.30 175.89 2wdz s VAL 184 N -1.60 -0.14 0.10 3.52 1.01 -1.26 -1.07 120.40 120.95 2wdz s VAL 184 Ca 0.44 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 2wdz s VAL 184 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2wdz s VAL 184 CO 0.20 0.13 0.04 0.20 0.00 0.00 0.00 175.10 175.67 2wdz s ASN 185 N 1.83 0.36 0.07 3.32 0.01 -0.94 -0.15 114.94 119.45 2wdz s ASN 185 Ca -0.01 -1.08 0.08 0.00 -0.71 0.00 0.00 52.86 51.14 2wdz s ASN 185 Cb -0.12 0.26 -0.03 0.00 0.41 0.00 0.00 41.25 41.77 2wdz s ASN 185 CO -0.05 -0.68 -0.21 0.00 -1.51 0.00 0.00 177.10 174.65 2wdz s ALA 186 N -3.98 1.79 -0.01 0.60 0.00 -0.35 -0.99 121.76 118.81 2wdz s ALA 186 Ca 0.16 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.81 2wdz s ALA 186 Cb 0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 2wdz s ALA 186 CO -0.04 0.38 0.43 -0.51 0.00 0.00 0.00 175.76 176.03 2wdz s LEU 187 N -1.53 4.44 -0.68 0.00 1.43 -0.46 0.01 118.68 121.90 2wdz s LEU 187 Ca 0.07 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2wdz s LEU 187 Cb -0.09 -2.63 0.17 0.00 0.03 0.00 0.00 46.19 43.67 2wdz s LEU 187 CO 0.03 0.26 0.48 0.00 0.23 0.00 0.00 176.35 177.36 2wdz s ALA 188 N -0.77 3.73 0.65 4.21 0.00 0.10 -0.22 121.76 129.46 2wdz s ALA 188 Ca 0.24 -3.57 -0.15 0.00 0.00 0.00 0.00 51.96 48.48 2wdz s ALA 188 Cb -0.17 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2wdz s ALA 188 CO 0.13 -2.09 1.10 -2.14 0.00 0.00 0.00 175.76 172.76 2wdz s PRO 189 N -0.83 2.88 0.00 0.00 0.02 -1.26 -1.57 135.00 134.24 2wdz s PRO 189 Ca 0.22 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.57 2wdz s PRO 189 Cb -0.14 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2wdz s PRO 189 CO -0.08 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 2wdz n GLY 190 N -0.67 0.08 3.72 0.52 0.00 -0.50 -0.72 105.19 107.63 2wdz n GLY 190 Ca 0.10 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2wdz n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdz s TYR 191 N 0.42 3.00 -0.00 1.61 2.02 -1.26 -4.89 117.35 118.24 2wdz s TYR 191 Ca 0.00 0.58 0.05 0.00 -0.37 0.00 0.00 57.07 57.33 2wdz s TYR 191 Cb 0.00 -3.99 -0.01 0.00 -0.40 0.00 0.00 41.96 37.56 2wdz s TYR 191 CO 0.00 -3.64 -0.16 0.08 -1.57 0.00 0.00 175.55 170.26 2wdz s VAL 192 N 1.01 1.29 -1.26 0.71 1.01 -1.26 -0.21 120.40 121.69 2wdz s VAL 192 Ca 0.70 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 2wdz s VAL 192 Cb -0.46 -1.09 0.13 0.00 0.00 0.00 0.00 36.38 34.96 2wdz s VAL 192 CO 0.33 0.31 1.62 0.00 0.00 0.00 0.00 175.10 177.36 2wdz n ALA 193 N 2.53 3.91 -2.58 5.51 0.00 -0.16 -4.73 120.51 124.99 2wdz n ALA 193 Ca -0.15 -4.08 -0.28 0.00 0.00 0.00 0.00 53.44 48.94 2wdz n ALA 193 Cb 0.54 -3.29 -0.08 0.00 0.00 0.00 0.00 19.45 16.62 2wdz n ALA 193 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wdz s THR 194 N 2.63 0.73 0.29 0.00 -4.23 -1.26 -4.59 115.64 109.21 2wdz s THR 194 Ca 0.47 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2wdz s THR 194 Cb 0.01 -2.28 0.29 0.00 1.34 0.00 0.00 72.50 71.86 2wdz s THR 194 CO 0.03 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 175.74 2wdz h GLU 195 N 1.66 0.46 -0.22 3.99 4.57 -1.97 -2.27 114.58 120.80 2wdz h GLU 195 Ca -0.37 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.84 2wdz h GLU 195 Cb 1.29 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 2wdz h GLU 195 CO 0.61 0.30 0.30 1.98 -1.18 0.00 0.00 179.01 181.02 2wdz h MET 196 N 0.47 0.00 0.00 1.92 4.05 -1.97 -3.20 114.93 116.19 2wdz h MET 196 Ca 0.57 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.99 2wdz h MET 196 Cb 1.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2wdz h MET 196 CO -0.50 0.00 0.00 0.25 0.23 0.00 0.00 176.91 176.89 2wdz n THR 197 N -3.54 0.00 -0.14 -0.77 -2.24 -0.87 -4.78 114.28 101.94 2wdz n THR 197 Ca 0.03 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 2wdz n THR 197 Cb 0.43 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2wdz n THR 197 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wdz h LEU 198 N 0.00 0.52 -0.56 3.22 6.46 -1.52 -1.43 115.31 122.00 2wdz h LEU 198 Ca 0.00 -0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.79 2wdz h LEU 198 Cb 0.01 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 39.72 2wdz h LEU 198 CO 0.00 0.45 0.06 0.11 -0.62 0.00 0.00 178.44 178.44 2wdz h LYS 199 N 0.56 0.18 0.00 1.25 1.57 -1.86 -1.65 116.57 116.61 2wdz h LYS 199 Ca 0.15 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2wdz h LYS 199 Cb 0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2wdz h LYS 199 CO -0.03 0.12 -0.39 0.52 -0.57 0.00 0.00 179.45 179.10 2wdz h MET 200 N 0.18 0.00 0.00 3.15 2.86 -1.77 -3.14 114.93 116.21 2wdz h MET 200 Ca 0.29 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.80 2wdz h MET 200 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2wdz h MET 200 CO -0.43 0.39 -0.62 0.00 1.06 0.00 0.00 176.91 177.31 2wdz h ARG 201 N 0.00 0.00 0.00 1.72 3.08 -0.35 -3.21 114.38 115.62 2wdz h ARG 201 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdz h ARG 201 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2wdz h ARG 201 CO 0.05 0.62 0.00 0.39 -1.07 0.00 0.00 179.97 179.96 2wdz n GLU 202 N -3.74 0.09 -3.52 0.04 1.02 -0.89 -4.39 120.64 109.26 2wdz n GLU 202 Ca -0.01 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 2wdz n GLU 202 Cb 0.63 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 2wdz n GLU 202 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wdz s ARG 203 N -3.09 2.88 0.31 3.49 0.52 -1.21 -5.00 118.95 116.85 2wdz s ARG 203 Ca 0.09 -1.13 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 2wdz s ARG 203 Cb 0.13 -3.89 0.50 0.00 0.52 0.00 0.00 34.95 32.21 2wdz s ARG 203 CO 0.43 -0.79 1.82 -1.35 0.02 0.00 0.00 175.30 175.43 2wdz h PRO 204 N 8.55 0.59 0.00 3.54 0.11 -1.86 -1.69 132.00 141.25 2wdz h PRO 204 Ca -0.26 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wdz h PRO 204 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2wdz h PRO 204 CO 0.73 0.64 0.13 -0.85 -0.21 0.00 0.00 178.00 178.44 2wdz n GLU 205 N -4.24 0.00 -0.03 1.05 0.00 -1.26 -1.84 120.64 114.32 2wdz n GLU 205 Ca 0.01 0.34 -0.08 0.00 0.00 0.00 0.00 57.16 57.43 2wdz n GLU 205 Cb 0.28 -1.63 -0.03 0.00 0.00 0.00 0.00 31.44 30.07 2wdz n GLU 205 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2wdz n LEU 206 N -1.33 1.24 0.14 -1.84 7.94 -0.86 -4.68 117.00 117.61 2wdz n LEU 206 Ca 0.00 0.20 0.14 0.00 -1.11 0.00 0.00 56.01 55.23 2wdz n LEU 206 Cb 0.13 -0.46 0.67 0.00 0.53 0.00 0.00 43.42 44.29 2wdz n LEU 206 CO 0.00 -0.22 1.12 0.15 -1.11 0.00 0.00 177.39 177.34 2wdz h PHE 207 N -0.45 0.00 -0.03 1.96 3.57 -1.09 -2.27 116.94 118.64 2wdz h PHE 207 Ca -0.13 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 2wdz h PHE 207 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2wdz h PHE 207 CO -0.13 0.00 -0.27 0.93 -2.23 0.00 0.00 178.31 176.61 2wdz h GLU 208 N 0.00 0.23 -0.46 1.11 5.08 -1.65 -2.63 114.58 116.27 2wdz h GLU 208 Ca 0.12 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2wdz h GLU 208 Cb 0.47 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2wdz h GLU 208 CO -0.00 0.90 0.07 1.15 -1.00 0.00 0.00 179.01 180.13 2wdz h THR 209 N -0.35 0.72 -0.33 1.13 2.02 -1.66 -1.83 112.91 112.60 2wdz h THR 209 Ca -0.03 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.16 2wdz h THR 209 Cb 0.97 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 2wdz h THR 209 CO 0.06 0.04 -0.35 -0.50 0.37 0.00 0.00 175.52 175.13 2wdz h TRP 210 N 0.20 -0.97 -0.02 3.16 4.06 -1.34 -0.74 115.95 120.29 2wdz h TRP 210 Ca 0.23 0.06 -0.14 0.00 2.06 0.00 0.00 58.89 61.10 2wdz h TRP 210 Cb 0.31 0.48 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 2wdz h TRP 210 CO -0.24 -0.40 -0.62 -0.07 -3.56 0.00 0.00 178.44 173.56 2wdz h LEU 211 N -0.31 0.08 -0.62 -4.49 3.38 -1.31 -2.66 115.31 109.38 2wdz h LEU 211 Ca 0.15 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2wdz h LEU 211 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2wdz h LEU 211 CO -0.50 0.68 -0.37 -0.78 0.09 0.00 0.00 178.44 177.56 2wdz h ASP 212 N 0.05 0.00 0.33 -0.43 3.58 -0.87 -2.67 116.42 116.42 2wdz h ASP 212 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2wdz h ASP 212 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2wdz h ASP 212 CO 0.08 0.37 -0.17 0.23 -2.88 0.00 0.00 179.24 176.87 2wdz n MET 213 N -3.36 0.71 -3.91 0.28 2.81 -0.33 -4.81 117.12 108.51 2wdz n MET 213 Ca 0.01 -0.32 -0.35 0.00 -1.81 0.00 0.00 57.70 55.22 2wdz n MET 213 Cb 0.57 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 2wdz n MET 213 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wdz s THR 214 N -2.51 3.27 0.30 2.03 2.01 -1.00 -4.66 115.64 115.08 2wdz s THR 214 Ca 0.26 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.67 2wdz s THR 214 Cb 0.20 -2.54 0.29 0.00 0.01 0.00 0.00 72.50 70.46 2wdz s THR 214 CO 0.50 0.35 1.81 -0.65 -0.69 0.00 0.00 174.62 175.95 2wdz h PRO 215 N 8.10 0.85 0.00 4.92 0.11 -1.77 0.52 132.00 144.73 2wdz h PRO 215 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wdz h PRO 215 Cb 1.15 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wdz h PRO 215 CO 0.60 0.57 0.00 -1.33 -0.21 0.00 0.00 178.00 177.63 2wdz n MET 216 N -4.67 0.04 -1.31 1.05 2.81 -0.58 -4.92 117.12 109.54 2wdz n MET 216 Ca 0.21 0.21 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 2wdz n MET 216 Cb 0.46 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 2wdz n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdz n GLY 217 N 0.43 1.20 3.23 3.03 0.00 0.18 -4.98 105.19 108.29 2wdz n GLY 217 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2wdz n GLY 217 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wdz s ARG 218 N -2.84 0.88 0.65 1.61 1.70 -1.26 -4.91 118.95 114.78 2wdz s ARG 218 Ca 0.00 -0.82 -0.14 0.00 -0.47 0.00 0.00 55.73 54.30 2wdz s ARG 218 Cb 0.00 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2wdz s ARG 218 CO 0.00 -0.29 1.07 0.00 -1.08 0.00 0.00 175.30 175.00 2wdz s GLY 220 N -2.99 1.61 0.07 0.00 0.00 0.71 -4.88 107.32 101.83 2wdz s GLY 220 Ca 0.63 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 2wdz s GLY 220 CO 0.44 -0.05 0.30 -0.54 0.00 0.00 0.00 173.10 173.25 2wdz s GLU 221 N -5.13 3.57 0.34 2.90 0.41 -1.26 -0.99 118.70 118.54 2wdz s GLU 221 Ca 0.54 -0.16 0.09 0.00 -0.41 0.00 0.00 54.97 55.03 2wdz s GLU 221 Cb -0.11 -2.99 0.81 0.00 -1.78 0.00 0.00 34.13 30.06 2wdz s GLU 221 CO 0.50 0.58 1.83 -1.35 -0.49 0.00 0.00 175.26 176.33 2wdz h PRO 222 N 3.37 0.69 0.00 0.39 0.11 -1.95 -0.20 132.00 134.41 2wdz h PRO 222 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wdz h PRO 222 Cb 1.18 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wdz h PRO 222 CO 0.71 0.45 -0.01 0.66 -0.21 0.00 0.00 178.00 179.60 2wdz h SER 223 N 0.71 0.00 0.90 -2.05 4.64 -1.94 -0.83 113.55 114.97 2wdz h SER 223 Ca 0.51 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.75 2wdz h SER 223 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2wdz h SER 223 CO -0.27 0.01 -0.37 -0.33 -0.87 0.00 0.00 176.83 174.99 2wdz h GLU 224 N 0.00 0.00 0.06 4.77 5.08 -1.43 -1.80 114.58 121.26 2wdz h GLU 224 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2wdz h GLU 224 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2wdz h GLU 224 CO 0.00 0.37 -0.86 0.82 -1.00 0.00 0.00 179.01 178.34 2wdz h ILE 225 N 0.00 1.31 -0.77 3.13 1.08 -1.21 -3.28 117.51 117.77 2wdz h ILE 225 Ca -0.00 -2.36 0.18 0.00 -0.39 0.00 0.00 64.86 62.29 2wdz h ILE 225 Cb 0.92 2.88 -0.13 0.00 -3.07 0.00 0.00 36.82 37.42 2wdz h ILE 225 CO 0.05 0.59 0.04 0.00 -0.69 0.00 0.00 178.15 178.14 2wdz h ALA 226 N -0.11 0.85 -0.99 1.87 0.00 -1.19 -1.80 119.26 117.89 2wdz h ALA 226 Ca -0.20 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wdz h ALA 226 Cb 1.41 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 2wdz h ALA 226 CO -0.01 -0.42 0.64 0.00 0.00 0.00 0.00 179.25 179.46 2wdz h ALA 227 N 1.71 1.34 -0.49 0.00 0.00 -1.48 0.25 119.26 120.59 2wdz h ALA 227 Ca 0.43 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 2wdz h ALA 227 Cb 0.77 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2wdz h ALA 227 CO -0.66 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 178.94 2wdz h ALA 228 N 1.43 0.68 -0.53 0.00 0.00 -1.48 -0.84 119.26 118.51 2wdz h ALA 228 Ca 0.41 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2wdz h ALA 228 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2wdz h ALA 228 CO -0.15 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 179.65 2wdz h ALA 229 N 0.89 0.91 -0.10 0.00 0.00 -0.81 -1.55 119.26 118.60 2wdz h ALA 229 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2wdz h ALA 229 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wdz h ALA 229 CO 0.05 0.64 0.03 1.25 0.00 0.00 0.00 179.25 181.23 2wdz h LEU 230 N 0.86 0.04 -0.04 0.00 5.85 -0.25 0.46 115.31 122.23 2wdz h LEU 230 Ca 0.15 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2wdz h LEU 230 Cb 0.57 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 2wdz h LEU 230 CO 0.03 0.04 -0.31 0.15 -0.34 0.00 0.00 178.44 178.01 2wdz h PHE 231 N 0.08 -0.86 -0.54 1.25 3.57 -0.91 -1.07 116.94 118.46 2wdz h PHE 231 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2wdz h PHE 231 Cb 0.02 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2wdz h PHE 231 CO -0.10 -0.40 0.36 -0.07 -2.23 0.00 0.00 178.31 175.87 2wdz h LEU 232 N -0.44 0.59 0.00 0.59 3.38 -0.92 -2.79 115.31 115.72 2wdz h LEU 232 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wdz h LEU 232 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wdz h LEU 232 CO -0.29 0.42 -0.43 0.00 0.09 0.00 0.00 178.44 178.23 2wdz h ALA 233 N 1.67 0.76 -2.29 1.53 0.00 -0.48 -3.44 119.26 117.02 2wdz h ALA 233 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.64 2wdz h ALA 233 Cb -0.03 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.82 2wdz h ALA 233 CO -0.05 0.00 0.20 -1.54 0.00 0.00 0.00 179.25 177.86 2wdz s SER 234 N -5.26 5.46 0.41 0.00 1.04 -0.45 -4.87 113.70 110.03 2wdz s SER 234 Ca 0.05 0.69 0.23 0.00 0.48 0.00 0.00 55.95 57.41 2wdz s SER 234 Cb 0.09 -1.62 1.28 0.00 0.10 0.00 0.00 66.02 65.87 2wdz s SER 234 CO 0.70 -1.16 1.69 -0.65 0.98 0.00 0.00 173.24 174.80 2wdz h PRO 235 N -0.27 0.00 -0.05 4.02 0.11 -1.79 -2.07 132.00 131.95 2wdz h PRO 235 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2wdz h PRO 235 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wdz h PRO 235 CO 0.61 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.44 2wdz h ALA 236 N 1.71 1.73 -0.71 -0.75 0.00 -1.74 -2.44 119.26 117.04 2wdz h ALA 236 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2wdz h ALA 236 Cb 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 2wdz h ALA 236 CO 0.00 -0.07 0.25 0.00 0.00 0.00 0.00 179.25 179.43 2wdz n ALA 237 N -2.39 4.49 0.32 0.00 0.00 -0.78 -4.69 120.51 117.46 2wdz n ALA 237 Ca -0.02 -2.21 0.21 0.00 0.00 0.00 0.00 53.44 51.43 2wdz n ALA 237 Cb 0.14 -1.25 1.06 0.00 0.00 0.00 0.00 19.45 19.41 2wdz n ALA 237 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdz h SER 238 N 2.67 0.00 -0.51 0.00 4.64 -1.62 0.17 113.55 118.90 2wdz h SER 238 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2wdz h SER 238 Cb 2.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.36 2wdz h SER 238 CO 0.71 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 2wdz n TYR 239 N -3.03 1.40 -3.76 4.77 9.36 -1.26 -4.91 117.16 119.73 2wdz n TYR 239 Ca -0.02 -0.69 -0.37 0.00 3.32 0.00 0.00 57.90 60.14 2wdz n TYR 239 Cb 0.12 -0.31 -0.12 0.00 -0.63 0.00 0.00 39.34 38.41 2wdz n TYR 239 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wdz s VAL 240 N -2.22 3.54 -0.02 2.97 1.01 0.58 -5.07 120.40 121.20 2wdz s VAL 240 Ca 0.47 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2wdz s VAL 240 Cb 0.33 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2wdz s VAL 240 CO 0.18 -0.40 0.07 0.28 0.00 0.00 0.00 175.10 175.24 2wdz s THR 241 N 1.29 0.03 -0.80 3.92 -1.32 -1.26 -4.66 115.64 112.84 2wdz s THR 241 Ca 0.02 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2wdz s THR 241 Cb -0.21 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 2wdz s THR 241 CO -0.00 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 2wdz n GLY 242 N 2.58 0.43 3.89 6.08 0.00 0.79 -4.96 105.19 114.01 2wdz n GLY 242 Ca -0.16 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2wdz n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdz s ALA 243 N -2.38 3.92 -0.37 4.61 0.00 -1.26 -4.74 121.76 121.55 2wdz s ALA 243 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2wdz s ALA 243 Cb 0.00 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.23 2wdz s ALA 243 CO 0.00 0.70 0.17 0.42 0.00 0.00 0.00 175.76 177.05 2wdz s ILE 244 N -1.23 4.22 -0.43 0.00 -1.09 -1.26 -1.21 121.20 120.20 2wdz s ILE 244 Ca 0.24 -1.04 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 2wdz s ILE 244 Cb -0.12 -3.40 0.03 0.00 -1.58 0.00 0.00 42.46 37.39 2wdz s ILE 244 CO 0.14 -0.25 0.37 -0.22 -1.23 0.00 0.00 174.94 173.75 2wdz s LEU 245 N 1.48 5.11 0.04 2.97 2.96 0.10 -4.90 118.68 126.45 2wdz s LEU 245 Ca 0.01 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 2wdz s LEU 245 Cb -0.20 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 2wdz s LEU 245 CO 0.05 -0.54 1.10 0.00 -1.32 0.00 0.00 176.35 175.64 2wdz s ALA 246 N 1.85 3.29 -0.47 5.97 0.00 -1.26 -0.72 121.76 130.42 2wdz s ALA 246 Ca 0.07 0.71 0.06 0.00 0.00 0.00 0.00 51.96 52.81 2wdz s ALA 246 Cb -0.19 -3.40 0.22 0.00 0.00 0.00 0.00 23.12 19.75 2wdz s ALA 246 CO 0.11 -0.34 0.51 0.28 0.00 0.00 0.00 175.76 176.32 2wdz n VAL 247 N 3.87 -0.08 -1.44 0.00 0.31 -0.61 -4.92 118.33 115.47 2wdz n VAL 247 Ca 0.07 -4.16 0.00 0.00 -0.01 0.00 0.00 64.34 60.25 2wdz n VAL 247 Cb 0.48 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2wdz n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wdz n ASP 248 N 1.71 0.01 -0.85 4.52 5.68 -1.26 -1.40 116.55 124.96 2wdz n ASP 248 Ca 0.25 -1.45 -0.11 0.00 -0.50 0.00 0.00 54.79 52.97 2wdz n ASP 248 Cb 0.48 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 2wdz n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wdz n GLY 249 N -0.00 1.14 0.92 6.12 0.00 -1.26 -1.84 105.19 110.26 2wdz n GLY 249 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wdz n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdz n GLY 250 N -0.53 0.77 0.36 -0.02 0.00 -1.26 -1.52 105.19 103.00 2wdz n GLY 250 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2wdz n GLY 250 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wdz h TYR 251 N 0.00 1.04 0.00 1.61 3.20 -1.63 -0.03 116.97 121.16 2wdz h TYR 251 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wdz h TYR 251 Cb 0.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2wdz h TYR 251 CO 0.00 0.37 0.00 0.25 -1.64 0.00 0.00 178.16 177.14 2wdz n THR 252 N -4.62 0.57 -0.18 1.81 -2.24 -1.26 -3.61 114.28 104.75 2wdz n THR 252 Ca 0.19 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 2wdz n THR 252 Cb 0.43 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 68.08 2wdz n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wdz h VAL 253 N 0.00 1.17 0.00 2.28 2.07 -1.41 -3.52 116.25 116.84 2wdz h VAL 253 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2wdz h VAL 253 Cb 0.72 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2wdz h VAL 253 CO 0.00 0.18 0.00 0.79 0.02 0.00 0.00 177.57 178.56