#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsb s ASP 2 N 0.00 6.33 0.17 6.12 -1.08 -1.26 -4.91 116.67 122.05 2wsb s ASP 2 Ca 0.00 -1.62 0.22 0.00 -0.52 0.00 0.00 52.55 50.63 2wsb s ASP 2 Cb 0.00 -2.33 0.88 0.00 -1.46 0.00 0.00 42.92 40.01 2wsb s ASP 2 CO 0.00 -1.10 1.67 -1.22 0.52 0.00 0.00 175.17 175.03 2wsb n TYR 3 N 6.35 0.57 0.20 -5.34 4.01 -1.26 -2.48 117.16 119.20 2wsb n TYR 3 Ca 0.01 0.21 0.05 0.00 -0.16 0.00 0.00 57.90 58.01 2wsb n TYR 3 Cb 0.45 -0.84 0.39 0.00 -0.31 0.00 0.00 39.34 39.03 2wsb n TYR 3 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wsb h ARG 4 N 0.00 0.00 -0.00 -0.72 3.08 -2.06 -3.25 114.38 111.42 2wsb h ARG 4 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wsb h ARG 4 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wsb h ARG 4 CO 0.00 0.35 -0.00 0.25 -1.07 0.00 0.00 179.97 179.50 2wsb n THR 5 N -3.74 0.00 0.29 2.04 -2.24 -1.03 -4.73 114.28 104.86 2wsb n THR 5 Ca -0.01 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.45 2wsb n THR 5 Cb 0.44 1.06 0.71 0.00 -2.10 0.00 0.00 70.33 70.44 2wsb n THR 5 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2wsb h VAL 6 N 0.55 0.00 -0.02 2.28 3.04 -1.54 -1.49 116.25 119.07 2wsb h VAL 6 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2wsb h VAL 6 Cb 0.12 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2wsb h VAL 6 CO 0.00 0.00 -0.05 0.49 -1.01 0.00 0.00 177.57 177.00 2wsb n PHE 7 N -3.06 0.00 -1.89 3.17 3.72 -1.26 -1.87 117.46 116.26 2wsb n PHE 7 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 2wsb n PHE 7 Cb 0.29 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.84 2wsb n PHE 7 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wsb s ARG 8 N -2.07 3.40 -0.17 -1.08 1.81 -0.56 -4.84 118.95 115.44 2wsb s ARG 8 Ca 0.31 0.66 0.15 0.00 -1.72 0.00 0.00 55.73 55.13 2wsb s ARG 8 Cb 0.20 -2.07 0.43 0.00 -0.45 0.00 0.00 34.95 33.06 2wsb s ARG 8 CO 0.35 -0.68 1.20 1.28 -0.68 0.00 0.00 175.30 176.77 2wsb n LEU 9 N -2.81 2.47 -4.66 2.53 4.77 0.53 -4.56 117.00 115.28 2wsb n LEU 9 Ca 0.06 -3.48 -0.55 0.00 -0.03 0.00 0.00 56.01 52.01 2wsb n LEU 9 Cb 0.55 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2wsb n LEU 9 CO 0.58 1.24 1.16 0.47 -1.33 0.00 0.00 177.39 179.51 2wsb n ASP 10 N -0.63 2.10 0.00 -1.43 8.00 -1.10 -1.05 116.55 122.45 2wsb n ASP 10 Ca 0.18 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2wsb n ASP 10 Cb 0.85 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2wsb n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wsb n GLY 11 N 3.53 2.06 3.89 0.44 0.00 -1.21 -4.97 105.19 108.92 2wsb n GLY 11 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2wsb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 12 N -2.42 3.25 -0.11 4.61 0.00 -0.21 -4.95 121.76 121.93 2wsb s ALA 12 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2wsb s ALA 12 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2wsb s ALA 12 CO 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 175.76 175.07 2wsb s ALA 14 N 0.78 2.64 -0.02 0.00 0.00 -0.04 -1.39 121.76 123.72 2wsb s ALA 14 Ca -0.10 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 2wsb s ALA 14 Cb -0.16 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 2wsb s ALA 14 CO 0.01 0.13 0.50 0.00 0.00 0.00 0.00 175.76 176.40 2wsb s ALA 15 N 0.54 3.56 -0.18 0.00 0.00 0.05 -0.64 121.76 125.09 2wsb s ALA 15 Ca -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 2wsb s ALA 15 Cb -0.16 -2.60 0.05 0.00 0.00 0.00 0.00 23.12 20.42 2wsb s ALA 15 CO 0.04 0.24 -0.03 0.08 0.00 0.00 0.00 175.76 176.09 2wsb s VAL 16 N -0.35 1.05 0.49 0.00 1.01 -0.44 -0.54 120.40 121.63 2wsb s VAL 16 Ca 0.27 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 2wsb s VAL 16 Cb -0.17 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 2wsb s VAL 16 CO 0.14 0.00 0.95 0.42 0.00 0.00 0.00 175.10 176.62 2wsb s THR 17 N 1.64 4.57 -1.29 3.92 -4.23 -0.18 -1.39 115.64 118.68 2wsb s THR 17 Ca -0.01 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 2wsb s THR 17 Cb -0.16 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2wsb s THR 17 CO -0.07 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 2wsb n GLY 18 N -1.48 0.52 0.10 3.99 0.00 0.01 -2.10 105.19 106.23 2wsb n GLY 18 Ca 0.06 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2wsb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb n ALA 19 N -0.37 1.63 1.04 4.61 0.00 -1.04 -3.30 120.51 123.07 2wsb n ALA 19 Ca -0.15 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2wsb n ALA 19 Cb 0.55 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 19.25 2wsb n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsb n GLY 20 N -0.06 -1.30 3.55 0.00 0.00 -1.26 -3.42 105.19 102.70 2wsb n GLY 20 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2wsb n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wsb s SER 21 N -2.83 -0.19 1.59 1.61 0.15 -1.21 -4.80 113.70 108.02 2wsb s SER 21 Ca 0.18 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2wsb s SER 21 Cb 0.17 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2wsb s SER 21 CO 0.45 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2wsb n GLY 22 N -0.35 3.35 0.22 9.45 0.00 -1.26 -1.82 105.19 114.79 2wsb n GLY 22 Ca -0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2wsb n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wsb h ILE 23 N 0.00 1.23 -0.45 -0.61 2.04 -1.92 -1.88 117.51 115.92 2wsb h ILE 23 Ca 0.00 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2wsb h ILE 23 Cb 0.00 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2wsb h ILE 23 CO 0.00 0.28 0.28 1.23 0.00 0.00 0.00 178.15 179.94 2wsb h GLY 24 N 0.61 0.64 0.88 5.37 0.00 -1.60 0.18 103.07 109.14 2wsb h GLY 24 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.28 2wsb h GLY 24 CO -0.00 0.19 0.16 -2.00 0.00 0.00 0.00 176.54 174.88 2wsb h LEU 25 N 0.56 0.24 -1.04 3.11 5.85 -1.27 -0.78 115.31 121.98 2wsb h LEU 25 Ca 0.18 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 2wsb h LEU 25 Cb -0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2wsb h LEU 25 CO -0.07 0.18 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.90 2wsb h GLU 26 N 0.33 0.41 -0.81 1.25 4.57 -0.84 -1.75 114.58 117.75 2wsb h GLU 26 Ca 0.12 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2wsb h GLU 26 Cb 0.03 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2wsb h GLU 26 CO -0.08 0.62 0.40 0.82 -1.18 0.00 0.00 179.01 179.59 2wsb h ILE 27 N 0.37 1.25 -0.66 2.32 2.04 -0.36 -0.22 117.51 122.26 2wsb h ILE 27 Ca 0.06 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.31 2wsb h ILE 27 Cb 0.61 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2wsb h ILE 27 CO 0.04 0.29 0.34 0.00 0.00 0.00 0.00 178.15 178.82 2wsb h ARG 29 N 0.61 0.75 -0.47 0.00 3.08 -0.58 -0.24 114.38 117.53 2wsb h ARG 29 Ca 0.31 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 2wsb h ARG 29 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2wsb h ARG 29 CO -0.22 0.59 -0.08 0.00 -1.07 0.00 0.00 179.97 179.20 2wsb h ALA 30 N 1.12 0.64 -0.14 0.04 0.00 -0.63 -1.19 119.26 119.11 2wsb h ALA 30 Ca 0.19 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2wsb h ALA 30 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wsb h ALA 30 CO -0.03 0.52 -0.75 0.74 0.00 0.00 0.00 179.25 179.73 2wsb h PHE 31 N 0.73 0.91 -0.82 0.00 -1.00 -0.43 -2.15 116.94 114.18 2wsb h PHE 31 Ca 0.12 -0.39 0.05 0.00 2.81 0.00 0.00 57.97 60.56 2wsb h PHE 31 Cb 0.62 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.98 2wsb h PHE 31 CO 0.05 1.20 0.51 0.00 -1.61 0.00 0.00 178.31 178.46 2wsb h ALA 32 N 0.69 1.12 0.00 2.45 0.00 -0.90 -1.11 119.26 121.51 2wsb h ALA 32 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wsb h ALA 32 Cb 1.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wsb h ALA 32 CO 0.15 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2wsb h ALA 33 N 1.38 1.00 -0.39 0.00 0.00 -0.95 -2.17 119.26 118.13 2wsb h ALA 33 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wsb h ALA 33 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wsb h ALA 33 CO -0.16 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.52 2wsb n SER 34 N -2.99 2.88 0.00 0.00 7.64 -0.75 -4.94 113.62 115.45 2wsb n SER 34 Ca 0.01 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.97 2wsb n SER 34 Cb 0.32 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2wsb n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsb n GLY 35 N 1.38 0.53 3.87 0.23 0.00 -0.82 -0.34 105.19 110.04 2wsb n GLY 35 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2wsb n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 36 N -2.01 3.32 0.32 4.61 0.00 -0.49 -3.34 121.76 124.16 2wsb s ALA 36 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 2wsb s ALA 36 Cb 0.00 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 2wsb s ALA 36 CO 0.00 0.04 0.71 1.03 0.00 0.00 0.00 175.76 177.54 2wsb s ARG 37 N -3.69 3.92 0.05 0.00 0.52 -0.40 -4.16 118.95 115.18 2wsb s ARG 37 Ca 0.52 0.55 0.07 0.00 -0.52 0.00 0.00 55.73 56.35 2wsb s ARG 37 Cb -0.10 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 2wsb s ARG 37 CO 0.29 0.15 -0.18 -0.51 0.02 0.00 0.00 175.30 175.06 2wsb s LEU 38 N -3.13 2.18 -0.35 2.53 1.43 0.07 -0.86 118.68 120.55 2wsb s LEU 38 Ca 0.52 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2wsb s LEU 38 Cb -0.10 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.34 2wsb s LEU 38 CO 0.21 0.11 0.10 -0.63 0.23 0.00 0.00 176.35 176.37 2wsb s ILE 39 N -0.84 3.34 -0.14 -0.59 -1.09 0.19 -0.14 121.20 121.94 2wsb s ILE 39 Ca 0.05 -1.51 -0.24 0.00 -2.23 0.00 0.00 60.65 56.72 2wsb s ILE 39 Cb -0.09 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 2wsb s ILE 39 CO 0.02 -0.31 0.78 -0.76 -1.23 0.00 0.00 174.94 173.44 2wsb s LEU 40 N 1.27 4.22 -0.10 2.97 1.43 -0.27 -1.32 118.68 126.88 2wsb s LEU 40 Ca -0.00 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2wsb s LEU 40 Cb -0.21 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.87 2wsb s LEU 40 CO -0.01 -0.30 -0.11 -0.63 0.23 0.00 0.00 176.35 175.54 2wsb s ILE 41 N 1.70 1.17 0.04 -0.59 1.01 -0.48 -0.55 121.20 123.49 2wsb s ILE 41 Ca 0.37 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 2wsb s ILE 41 Cb -0.17 -1.12 0.07 0.00 0.01 0.00 0.00 42.46 41.25 2wsb s ILE 41 CO 0.14 0.38 0.63 -0.62 0.00 0.00 0.00 174.94 175.48 2wsb s ASP 42 N 1.23 -0.60 0.37 3.58 -1.08 -1.06 -0.81 116.67 118.28 2wsb s ASP 42 Ca -0.03 0.40 0.25 0.00 -0.52 0.00 0.00 52.55 52.64 2wsb s ASP 42 Cb -0.14 0.56 0.64 0.00 -1.46 0.00 0.00 42.92 42.52 2wsb s ASP 42 CO -0.03 -0.75 1.71 0.08 0.52 0.00 0.00 175.17 176.69 2wsb h ARG 43 N 2.61 0.00 -4.28 4.34 0.11 -1.80 -1.65 114.38 113.71 2wsb h ARG 43 Ca -0.30 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 59.04 2wsb h ARG 43 Cb 1.21 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.06 2wsb h ARG 43 CO 0.39 0.00 -0.12 -1.21 0.10 0.00 0.00 179.97 179.13 2wsb s GLU 44 N -3.23 3.01 0.26 0.08 2.02 -1.26 -4.75 118.70 114.82 2wsb s GLU 44 Ca 0.07 -1.57 -0.02 0.00 0.02 0.00 0.00 54.97 53.47 2wsb s GLU 44 Cb 0.08 -4.28 0.49 0.00 0.10 0.00 0.00 34.13 30.52 2wsb s GLU 44 CO 0.62 -1.38 1.77 0.00 0.02 0.00 0.00 175.26 176.28 2wsb h ALA 45 N 8.97 1.22 -0.03 5.21 0.00 -1.99 -1.43 119.26 131.22 2wsb h ALA 45 Ca -0.30 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2wsb h ALA 45 Cb 1.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2wsb h ALA 45 CO 1.05 -0.07 -0.29 0.00 0.00 0.00 0.00 179.25 179.94 2wsb h ALA 46 N 1.53 1.47 -0.00 0.00 0.00 -1.99 0.15 119.26 120.42 2wsb h ALA 46 Ca 0.44 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 2wsb h ALA 46 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wsb h ALA 46 CO -0.34 0.39 -0.95 0.00 0.00 0.00 0.00 179.25 178.36 2wsb h ALA 47 N 1.67 0.35 0.00 0.00 0.00 -1.70 -2.84 119.26 116.74 2wsb h ALA 47 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 2wsb h ALA 47 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2wsb h ALA 47 CO 0.04 0.80 -0.31 -0.07 0.00 0.00 0.00 179.25 179.71 2wsb h LEU 48 N 0.25 0.00 0.25 0.00 3.38 -0.70 -0.36 115.31 118.13 2wsb h LEU 48 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2wsb h LEU 48 Cb 1.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 2wsb h LEU 48 CO 0.17 0.31 -0.14 0.44 0.09 0.00 0.00 178.44 179.30 2wsb h ASP 49 N 0.00 -0.35 -0.23 -0.43 3.32 -0.49 0.14 116.42 118.39 2wsb h ASP 49 Ca -0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2wsb h ASP 49 Cb 0.65 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2wsb h ASP 49 CO 0.04 -0.23 0.03 -0.09 -1.72 0.00 0.00 179.24 177.27 2wsb h ARG 50 N -0.37 0.39 -0.62 3.56 2.43 -1.28 -2.38 114.38 116.11 2wsb h ARG 50 Ca -0.03 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 2wsb h ARG 50 Cb 0.30 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2wsb h ARG 50 CO 0.04 0.54 0.15 0.00 -1.51 0.00 0.00 179.97 179.18 2wsb h ALA 51 N 0.84 0.82 -0.32 2.80 0.00 -0.91 -2.00 119.26 120.49 2wsb h ALA 51 Ca 0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2wsb h ALA 51 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wsb h ALA 51 CO 0.01 0.53 -0.16 0.00 0.00 0.00 0.00 179.25 179.62 2wsb h ALA 52 N 1.04 1.12 -0.57 0.00 0.00 -0.74 0.60 119.26 120.71 2wsb h ALA 52 Ca 0.19 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2wsb h ALA 52 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wsb h ALA 52 CO 0.00 0.55 0.01 0.37 0.00 0.00 0.00 179.25 180.18 2wsb h GLN 53 N 0.52 1.00 -0.00 0.00 5.75 -1.09 -1.47 115.11 119.81 2wsb h GLN 53 Ca 0.09 -0.31 -0.00 0.00 -0.15 0.00 0.00 58.65 58.27 2wsb h GLN 53 Cb 0.58 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2wsb h GLN 53 CO 0.04 0.99 -0.01 1.49 -2.65 0.00 0.00 178.83 178.69 2wsb h GLU 54 N 0.88 0.01 0.00 1.69 4.81 -1.07 -3.29 114.58 117.61 2wsb h GLU 54 Ca 0.16 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2wsb h GLU 54 Cb 0.53 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2wsb h GLU 54 CO 0.03 0.59 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.76 2wsb h LEU 55 N -0.57 0.00 0.00 1.64 3.38 -0.80 -3.47 115.31 115.48 2wsb h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wsb h LEU 55 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wsb h LEU 55 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2wsb n GLY 56 N 0.06 3.44 0.05 0.83 0.00 -0.56 -2.30 105.19 106.70 2wsb n GLY 56 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2wsb n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb n ALA 57 N 11.52 1.84 0.29 4.61 0.00 -1.26 -1.78 120.51 135.73 2wsb n ALA 57 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.60 2wsb n ALA 57 Cb 0.00 -1.34 0.79 0.00 0.00 0.00 0.00 19.45 18.90 2wsb n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsb h ALA 58 N 2.52 1.01 -1.96 0.00 0.00 -1.81 -3.43 119.26 115.59 2wsb h ALA 58 Ca 0.00 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 2wsb h ALA 58 Cb 0.37 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2wsb h ALA 58 CO 0.00 0.02 1.04 0.08 0.00 0.00 0.00 179.25 180.38 2wsb s VAL 59 N -3.79 3.96 0.03 0.00 1.01 -0.74 -0.75 120.40 120.13 2wsb s VAL 59 Ca -0.00 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.13 2wsb s VAL 59 Cb 0.10 -4.00 -0.23 0.00 0.00 0.00 0.00 36.38 32.25 2wsb s VAL 59 CO 0.52 -0.44 0.95 0.00 0.00 0.00 0.00 175.10 176.13 2wsb h ALA 60 N 9.97 0.53 -2.41 5.51 0.00 -0.81 -3.46 119.26 128.60 2wsb h ALA 60 Ca -0.29 -1.19 -0.06 0.00 0.00 0.00 0.00 54.91 53.38 2wsb h ALA 60 Cb 1.12 0.19 -0.17 0.00 0.00 0.00 0.00 17.79 18.93 2wsb h ALA 60 CO 1.03 1.39 0.10 0.00 0.00 0.00 0.00 179.25 181.76 2wsb s ALA 61 N -2.65 -1.49 -0.08 0.00 0.00 -1.04 -5.02 121.76 111.49 2wsb s ALA 61 Ca -0.03 0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2wsb s ALA 61 Cb 0.09 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.53 2wsb s ALA 61 CO 0.83 -0.49 -0.18 -0.98 0.00 0.00 0.00 175.76 174.94 2wsb s ARG 62 N -2.17 2.34 -0.18 0.00 1.70 -1.26 -1.11 118.95 118.26 2wsb s ARG 62 Ca -0.07 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.54 2wsb s ARG 62 Cb -0.01 -1.83 0.05 0.00 -0.57 0.00 0.00 34.95 32.59 2wsb s ARG 62 CO 0.01 0.11 -0.02 0.42 -1.08 0.00 0.00 175.30 174.73 2wsb s ILE 63 N 0.49 0.95 -0.32 4.99 1.01 0.28 -4.96 121.20 123.64 2wsb s ILE 63 Ca -0.16 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 2wsb s ILE 63 Cb -0.17 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.08 2wsb s ILE 63 CO 0.06 -0.01 1.02 -0.69 0.00 0.00 0.00 174.94 175.33 2wsb s VAL 64 N 1.69 4.56 -0.01 2.92 1.01 -1.26 -2.57 120.40 126.74 2wsb s VAL 64 Ca -0.01 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 2wsb s VAL 64 Cb -0.16 -4.37 0.06 0.00 0.00 0.00 0.00 36.38 31.91 2wsb s VAL 64 CO -0.07 -0.44 0.58 0.00 0.00 0.00 0.00 175.10 175.17 2wsb s ALA 65 N 3.53 -1.51 -0.27 5.51 0.00 -0.62 -4.95 121.76 123.44 2wsb s ALA 65 Ca 0.43 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 2wsb s ALA 65 Cb -0.13 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2wsb s ALA 65 CO 0.15 -0.41 0.26 0.34 0.00 0.00 0.00 175.76 176.09 2wsb s ASP 66 N -1.49 6.12 0.41 0.00 -1.08 -1.26 -2.51 116.67 116.85 2wsb s ASP 66 Ca -0.09 0.11 0.29 0.00 -0.52 0.00 0.00 52.55 52.34 2wsb s ASP 66 Cb -0.01 -2.15 1.40 0.00 -1.46 0.00 0.00 42.92 40.70 2wsb s ASP 66 CO 0.05 -0.09 1.87 -0.37 0.52 0.00 0.00 175.17 177.15 2wsb h VAL 67 N 5.35 0.00 0.00 1.11 -1.51 -1.95 -1.05 116.25 118.19 2wsb h VAL 67 Ca -0.34 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2wsb h VAL 67 Cb 1.18 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2wsb h VAL 67 CO 0.59 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.28 2wsb n THR 68 N -2.55 0.33 -3.25 7.19 -2.24 -1.26 -4.22 114.28 108.27 2wsb n THR 68 Ca -0.00 0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 2wsb n THR 68 Cb 0.14 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 2wsb n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wsb s ASP 69 N -2.94 6.18 0.23 3.42 -1.08 -0.40 -4.91 116.67 117.18 2wsb s ASP 69 Ca 0.13 -1.47 -0.07 0.00 -0.52 0.00 0.00 52.55 50.62 2wsb s ASP 69 Cb 0.16 -2.24 0.27 0.00 -1.46 0.00 0.00 42.92 39.65 2wsb s ASP 69 CO 0.43 -0.89 1.88 0.00 0.52 0.00 0.00 175.17 177.10 2wsb h ALA 70 N 8.96 1.14 -0.27 3.66 0.00 -1.85 -1.27 119.26 129.63 2wsb h ALA 70 Ca -0.29 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2wsb h ALA 70 Cb 1.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wsb h ALA 70 CO 1.01 0.39 -0.29 0.93 0.00 0.00 0.00 179.25 181.29 2wsb h GLU 71 N 1.07 0.55 -0.20 0.00 5.08 -1.95 -0.24 114.58 118.89 2wsb h GLU 71 Ca 0.35 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2wsb h GLU 71 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2wsb h GLU 71 CO -0.12 0.79 -0.30 0.00 -1.00 0.00 0.00 179.01 178.37 2wsb h ALA 72 N 1.21 1.12 -0.37 3.43 0.00 -1.64 0.15 119.26 123.16 2wsb h ALA 72 Ca 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2wsb h ALA 72 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2wsb h ALA 72 CO 0.06 0.56 0.04 0.52 0.00 0.00 0.00 179.25 180.43 2wsb h MET 73 N 0.34 0.62 -0.39 0.00 2.86 -0.60 0.61 114.93 118.37 2wsb h MET 73 Ca 0.04 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 2wsb h MET 73 Cb 0.71 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2wsb h MET 73 CO 0.05 0.70 0.15 1.15 1.06 0.00 0.00 176.91 180.02 2wsb h THR 74 N 0.46 1.15 -0.04 2.22 2.02 -0.71 -0.92 112.91 117.08 2wsb h THR 74 Ca 0.11 -0.48 -0.22 0.00 0.77 0.00 0.00 66.41 66.60 2wsb h THR 74 Cb 0.39 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2wsb h THR 74 CO 0.01 0.18 -0.88 0.00 0.37 0.00 0.00 175.52 175.21 2wsb h ALA 75 N 1.62 0.40 -0.75 6.16 0.00 -0.55 -1.92 119.26 124.23 2wsb h ALA 75 Ca 0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2wsb h ALA 75 Cb 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2wsb h ALA 75 CO -0.01 0.78 0.34 0.00 0.00 0.00 0.00 179.25 180.36 2wsb h ALA 76 N 0.74 0.97 -0.58 0.00 0.00 -0.38 0.14 119.26 120.15 2wsb h ALA 76 Ca -0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2wsb h ALA 76 Cb 1.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2wsb h ALA 76 CO 0.16 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 2wsb h ALA 77 N 1.17 0.84 -0.54 0.00 0.00 -0.96 0.12 119.26 119.90 2wsb h ALA 77 Ca 0.26 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2wsb h ALA 77 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wsb h ALA 77 CO -0.03 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 2wsb h ALA 78 N 1.01 0.91 -0.34 0.00 0.00 -0.97 0.18 119.26 120.05 2wsb h ALA 78 Ca 0.16 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2wsb h ALA 78 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wsb h ALA 78 CO 0.04 0.64 0.01 1.49 0.00 0.00 0.00 179.25 181.43 2wsb h GLU 79 N 0.87 0.60 -0.07 0.00 4.81 -0.43 -1.42 114.58 118.94 2wsb h GLU 79 Ca 0.15 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wsb h GLU 79 Cb 0.57 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2wsb h GLU 79 CO 0.03 0.71 0.03 0.00 -0.73 0.00 0.00 179.01 179.06 2wsb h ALA 80 N 0.87 0.09 0.00 2.92 0.00 -0.61 -2.59 119.26 119.93 2wsb h ALA 80 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wsb h ALA 80 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wsb h ALA 80 CO 0.02 -0.36 -0.04 0.93 0.00 0.00 0.00 179.25 179.79 2wsb h GLU 81 N -0.00 0.00 0.00 0.00 4.39 -0.46 0.66 114.58 119.18 2wsb h GLU 81 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2wsb h GLU 81 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2wsb h GLU 81 CO -0.00 0.04 -0.19 0.00 -1.16 0.00 0.00 179.01 177.69 2wsb h ALA 82 N 1.96 1.53 0.08 3.43 0.00 -0.85 -3.11 119.26 122.29 2wsb h ALA 82 Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 82 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wsb h ALA 82 CO 0.01 0.24 -1.43 0.28 0.00 0.00 0.00 179.25 178.35 2wsb h VAL 83 N 0.00 0.94 -2.10 0.00 2.07 -0.90 -3.50 116.25 112.76 2wsb h VAL 83 Ca -0.00 -2.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 2wsb h VAL 83 Cb 0.38 2.55 -0.18 0.00 -1.52 0.00 0.00 31.29 32.51 2wsb h VAL 83 CO 0.03 0.62 0.31 0.00 0.02 0.00 0.00 177.57 178.55 2wsb s ALA 84 N -2.45 -1.78 0.21 1.67 0.00 -0.24 -5.13 121.76 114.04 2wsb s ALA 84 Ca -0.23 1.21 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 2wsb s ALA 84 Cb 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 23.12 23.09 2wsb s ALA 84 CO 0.71 -0.46 1.69 -2.14 0.00 0.00 0.00 175.76 175.57 2wsb s PRO 85 N -1.82 4.13 -0.37 0.00 0.02 -1.26 -3.87 135.00 131.84 2wsb s PRO 85 Ca -0.05 2.58 -0.21 0.00 0.02 0.00 0.00 61.00 63.33 2wsb s PRO 85 Cb -0.00 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.44 2wsb s PRO 85 CO 0.02 -0.73 0.69 0.08 -0.33 0.00 0.00 177.00 176.73 2wsb s VAL 86 N 1.07 4.83 -1.48 3.83 1.01 -1.26 -4.20 120.40 124.20 2wsb s VAL 86 Ca 0.73 0.66 0.14 0.00 0.00 0.00 0.00 61.98 63.51 2wsb s VAL 86 Cb -0.49 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 31.80 2wsb s VAL 86 CO 0.33 -0.38 0.84 -1.54 0.00 0.00 0.00 175.10 174.36 2wsb n SER 87 N 6.20 1.75 -3.83 3.32 3.41 -0.48 -4.61 113.62 119.37 2wsb n SER 87 Ca 0.00 -1.38 -0.14 0.00 -0.26 0.00 0.00 58.87 57.09 2wsb n SER 87 Cb 0.48 0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 64.58 2wsb n SER 87 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wsb s ILE 88 N -1.52 0.03 -0.06 -1.33 1.01 -1.12 -1.45 121.20 116.76 2wsb s ILE 88 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2wsb s ILE 88 Cb 0.12 -0.10 -0.00 0.00 0.01 0.00 0.00 42.46 42.48 2wsb s ILE 88 CO 0.29 0.07 -0.18 -0.22 0.00 0.00 0.00 174.94 174.89 2wsb s LEU 89 N 0.58 1.91 -0.25 2.97 2.96 -0.46 -0.77 118.68 125.62 2wsb s LEU 89 Ca -0.05 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2wsb s LEU 89 Cb -0.07 -1.05 0.03 0.00 0.50 0.00 0.00 46.19 45.59 2wsb s LEU 89 CO -0.01 0.14 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.41 2wsb s VAL 90 N 0.18 2.87 -0.94 1.68 1.01 0.30 -0.58 120.40 124.92 2wsb s VAL 90 Ca -0.08 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 2wsb s VAL 90 Cb -0.13 -2.47 0.16 0.00 0.00 0.00 0.00 36.38 33.93 2wsb s VAL 90 CO 0.04 0.18 1.08 0.20 0.00 0.00 0.00 175.10 176.60 2wsb s ASN 91 N 1.32 6.71 -0.00 3.32 -0.87 -0.33 -1.01 114.94 124.08 2wsb s ASN 91 Ca -0.00 -2.30 0.13 0.00 -1.57 0.00 0.00 52.86 49.12 2wsb s ASN 91 Cb -0.17 -2.36 -0.15 0.00 -0.02 0.00 0.00 41.25 38.56 2wsb s ASN 91 CO -0.04 -0.91 0.55 -0.24 -2.57 0.00 0.00 177.10 173.88 2wsb n SER 92 N 5.83 0.74 -4.74 -1.22 2.88 -0.89 -1.93 113.62 114.29 2wsb n SER 92 Ca 0.23 -0.74 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 2wsb n SER 92 Cb 0.48 1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 64.97 2wsb n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsb s ALA 93 N -2.33 3.77 -0.13 -1.46 0.00 -1.04 -4.69 121.76 115.89 2wsb s ALA 93 Ca 0.04 1.50 -0.33 0.00 0.00 0.00 0.00 51.96 53.17 2wsb s ALA 93 Cb 0.10 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.71 2wsb s ALA 93 CO 0.55 -0.89 1.10 0.20 0.00 0.00 0.00 175.76 176.72 2wsb s GLY 94 N 0.73 -0.35 0.09 0.00 0.00 -1.26 -4.71 107.32 101.82 2wsb s GLY 94 Ca 0.66 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.81 2wsb s GLY 94 CO 0.41 0.47 -0.06 -0.26 0.00 0.00 0.00 173.10 173.66 2wsb s ILE 95 N -2.64 0.60 -0.03 0.90 -4.36 -1.26 -5.04 121.20 109.37 2wsb s ILE 95 Ca 0.08 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 2wsb s ILE 95 Cb -0.01 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 42.10 2wsb s ILE 95 CO -0.06 -0.88 -0.08 0.00 0.24 0.00 0.00 174.94 174.16 2wsb s ALA 96 N -3.59 0.84 -0.05 2.27 0.00 -1.26 -4.93 121.76 115.05 2wsb s ALA 96 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2wsb s ALA 96 Cb 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2wsb s ALA 96 CO -0.05 0.11 -0.06 1.03 0.00 0.00 0.00 175.76 176.79 2wsb s ARG 97 N 0.35 1.01 0.02 0.00 1.81 -1.26 -5.12 118.95 115.75 2wsb s ARG 97 Ca -0.06 -0.16 -0.28 0.00 -1.72 0.00 0.00 55.73 53.51 2wsb s ARG 97 Cb -0.10 -0.96 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 2wsb s ARG 97 CO 0.01 -0.07 0.90 -0.51 -0.68 0.00 0.00 175.30 174.95 2wsb s LEU 98 N 0.90 4.40 -0.27 2.53 1.43 -1.26 -4.65 118.68 121.76 2wsb s LEU 98 Ca -0.11 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.32 2wsb s LEU 98 Cb -0.15 -3.45 0.08 0.00 0.03 0.00 0.00 46.19 42.71 2wsb s LEU 98 CO 0.01 -0.16 0.79 -1.38 0.23 0.00 0.00 176.35 175.83 2wsb s HIS 99 N 0.64 -0.72 0.05 0.29 -3.43 -0.23 -4.99 115.29 106.90 2wsb s HIS 99 Ca 0.47 1.76 -0.29 0.00 -0.80 0.00 0.00 55.06 56.20 2wsb s HIS 99 Cb -0.21 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 2wsb s HIS 99 CO 0.26 -0.35 0.95 -0.51 -2.00 0.00 0.00 174.74 173.09 2wsb s ASP 100 N 0.36 7.41 0.18 7.38 -0.00 -1.26 -3.89 116.67 126.85 2wsb s ASP 100 Ca 0.01 1.69 -0.13 0.00 -0.00 0.00 0.00 52.55 54.12 2wsb s ASP 100 Cb -0.05 -2.57 0.15 0.00 -0.00 0.00 0.00 42.92 40.46 2wsb s ASP 100 CO -0.01 -0.15 1.77 0.00 -0.00 0.00 0.00 175.17 176.78 2wsb h ALA 101 N 6.16 0.62 0.00 5.23 0.00 -1.99 -1.92 119.26 127.36 2wsb h ALA 101 Ca -0.42 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2wsb h ALA 101 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2wsb h ALA 101 CO 0.73 -0.16 -0.32 -0.07 0.00 0.00 0.00 179.25 179.43 2wsb h LEU 102 N 0.42 0.00 -1.59 0.00 3.38 -2.06 -2.52 115.31 112.94 2wsb h LEU 102 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2wsb h LEU 102 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wsb h LEU 102 CO -0.20 0.32 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 2wsb n GLU 103 N -3.67 2.05 -1.75 1.13 1.02 -0.77 -4.97 120.64 113.68 2wsb n GLU 103 Ca -0.01 -1.57 -0.42 0.00 -0.02 0.00 0.00 57.16 55.14 2wsb n GLU 103 Cb 0.43 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 2wsb n GLU 103 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2wsb n THR 104 N 0.81 1.00 -2.78 2.62 -1.04 -0.93 -4.97 114.28 108.99 2wsb n THR 104 Ca 0.17 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 2wsb n THR 104 Cb 0.45 -1.97 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 2wsb n THR 104 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2wsb s ASP 105 N 0.51 6.80 0.28 8.00 -4.77 -1.26 -4.97 116.67 121.26 2wsb s ASP 105 Ca 0.64 1.54 -0.01 0.00 -3.30 0.00 0.00 52.55 51.41 2wsb s ASP 105 Cb -0.49 -2.48 0.45 0.00 -1.09 0.00 0.00 42.92 39.30 2wsb s ASP 105 CO 0.48 -0.39 1.91 0.44 0.70 0.00 0.00 175.17 178.31 2wsb h ASP 106 N 1.69 0.99 -0.56 2.11 3.32 -2.01 -1.86 116.42 120.10 2wsb h ASP 106 Ca -0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2wsb h ASP 106 Cb 1.18 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 2wsb h ASP 106 CO 0.62 0.65 0.35 0.00 -1.72 0.00 0.00 179.24 179.15 2wsb h ALA 107 N 1.47 1.57 -0.08 3.45 0.00 -1.98 -0.93 119.26 122.75 2wsb h ALA 107 Ca 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2wsb h ALA 107 Cb 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wsb h ALA 107 CO -0.14 0.39 -0.03 1.15 0.00 0.00 0.00 179.25 180.62 2wsb h THR 108 N 0.77 1.31 -0.15 0.00 2.02 -1.73 -0.17 112.91 114.95 2wsb h THR 108 Ca 0.20 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.44 2wsb h THR 108 Cb -0.06 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2wsb h THR 108 CO -0.04 0.28 -0.11 -0.25 0.37 0.00 0.00 175.52 175.77 2wsb h TRP 109 N -0.19 -0.26 -0.66 3.16 2.91 -1.43 -2.15 115.95 117.34 2wsb h TRP 109 Ca 0.02 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 2wsb h TRP 109 Cb 0.45 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.21 2wsb h TRP 109 CO 0.06 -0.16 0.21 0.00 -1.03 0.00 0.00 178.44 177.51 2wsb h ARG 110 N -0.11 1.00 0.00 2.65 2.47 -1.06 -2.13 114.38 117.20 2wsb h ARG 110 Ca 0.09 -0.20 -0.15 0.00 -1.26 0.00 0.00 59.98 58.46 2wsb h ARG 110 Cb 0.25 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2wsb h ARG 110 CO -0.22 0.86 -0.74 0.37 0.56 0.00 0.00 179.97 180.80 2wsb h GLN 111 N 0.97 0.00 -0.27 0.04 5.75 -0.80 0.32 115.11 121.11 2wsb h GLN 111 Ca 0.21 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.61 2wsb h GLN 111 Cb 0.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 2wsb h GLN 111 CO -0.01 0.74 -0.25 0.28 -2.65 0.00 0.00 178.83 176.93 2wsb h VAL 112 N 0.00 1.31 -0.64 2.39 2.07 -1.27 -2.34 116.25 117.77 2wsb h VAL 112 Ca -0.01 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 2wsb h VAL 112 Cb 1.54 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2wsb h VAL 112 CO 0.10 0.45 0.08 0.24 0.02 0.00 0.00 177.57 178.45 2wsb h MET 113 N 0.38 1.06 -0.43 1.57 2.86 -1.28 -1.07 114.93 118.02 2wsb h MET 113 Ca 0.05 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2wsb h MET 113 Cb 0.82 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2wsb h MET 113 CO 0.06 0.99 0.22 0.00 1.06 0.00 0.00 176.91 179.24 2wsb h ALA 114 N 1.09 0.55 -0.01 6.32 0.00 -0.90 -0.97 119.26 125.35 2wsb h ALA 114 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2wsb h ALA 114 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wsb h ALA 114 CO 0.02 0.11 -0.12 0.28 0.00 0.00 0.00 179.25 179.53 2wsb h VAL 115 N 0.56 1.55 0.00 0.00 2.07 -1.35 0.21 116.25 119.28 2wsb h VAL 115 Ca 0.15 -1.78 -0.11 0.00 0.82 0.00 0.00 66.70 65.78 2wsb h VAL 115 Cb 0.10 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2wsb h VAL 115 CO -0.02 0.48 -0.50 0.78 0.02 0.00 0.00 177.57 178.32 2wsb h ASN 116 N -0.58 0.00 0.00 0.57 4.21 -1.20 -3.25 115.58 115.33 2wsb h ASN 116 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2wsb h ASN 116 Cb 0.84 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2wsb h ASN 116 CO 0.02 0.50 -0.21 0.52 -1.29 0.00 0.00 177.43 176.98 2wsb n VAL 117 N -3.24 1.20 -0.19 2.81 0.31 -0.45 -4.44 118.33 114.32 2wsb n VAL 117 Ca 0.02 0.33 -0.08 0.00 -0.01 0.00 0.00 64.34 64.60 2wsb n VAL 117 Cb 0.73 -1.71 0.02 0.00 -0.91 0.00 0.00 33.84 31.96 2wsb n VAL 117 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wsb h ASP 118 N -0.21 0.71 -0.43 4.52 3.32 -1.21 -1.13 116.42 122.00 2wsb h ASP 118 Ca 0.00 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2wsb h ASP 118 Cb 0.21 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2wsb h ASP 118 CO 0.00 0.65 0.13 1.23 -1.72 0.00 0.00 179.24 179.53 2wsb h GLY 119 N 0.72 0.79 1.47 2.75 0.00 -0.62 0.12 103.07 108.31 2wsb h GLY 119 Ca 0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2wsb h GLY 119 CO -0.02 0.41 -0.11 1.98 0.00 0.00 0.00 176.54 178.80 2wsb h MET 120 N 0.72 0.63 -0.13 4.80 1.85 -1.45 -0.37 114.93 120.98 2wsb h MET 120 Ca 0.16 -0.19 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2wsb h MET 120 Cb 0.25 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 2wsb h MET 120 CO -0.00 0.73 -0.05 0.35 -0.40 0.00 0.00 176.91 177.53 2wsb h PHE 121 N 0.58 0.31 -0.73 1.39 3.57 -0.22 -0.23 116.94 121.61 2wsb h PHE 121 Ca 0.10 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2wsb h PHE 121 Cb 0.53 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2wsb h PHE 121 CO 0.02 0.59 0.30 -1.49 -2.23 0.00 0.00 178.31 175.50 2wsb h TRP 122 N -0.06 1.08 -0.30 0.41 -0.00 -0.52 0.10 115.95 116.65 2wsb h TRP 122 Ca 0.03 -0.07 -0.17 0.00 -0.00 0.00 0.00 58.89 58.68 2wsb h TRP 122 Cb 0.51 -0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 29.34 2wsb h TRP 122 CO 0.06 0.81 -0.47 0.00 -0.00 0.00 0.00 178.44 178.85 2wsb h ALA 123 N 1.28 0.46 -0.43 1.49 0.00 -1.03 -1.49 119.26 119.54 2wsb h ALA 123 Ca 0.25 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2wsb h ALA 123 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wsb h ALA 123 CO -0.02 0.62 0.07 0.77 0.00 0.00 0.00 179.25 180.69 2wsb h SER 124 N 0.63 0.68 -0.66 0.00 0.02 -0.52 -0.27 113.55 113.43 2wsb h SER 124 Ca 0.03 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2wsb h SER 124 Cb 1.07 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2wsb h SER 124 CO 0.11 0.77 0.43 -0.09 -1.14 0.00 0.00 176.83 176.91 2wsb h ARG 125 N 0.57 0.87 0.32 3.45 2.43 -0.83 0.27 114.38 121.46 2wsb h ARG 125 Ca 0.13 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2wsb h ARG 125 Cb 0.38 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2wsb h ARG 125 CO 0.01 0.58 -0.15 0.00 -1.51 0.00 0.00 179.97 178.90 2wsb h ALA 126 N 1.24 -0.43 0.07 2.80 0.00 -0.92 -2.59 119.26 119.44 2wsb h ALA 126 Ca 0.24 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2wsb h ALA 126 Cb -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wsb h ALA 126 CO -0.05 -0.63 -1.12 0.74 0.00 0.00 0.00 179.25 178.19 2wsb h PHE 127 N -0.66 0.35 0.00 0.00 0.04 -1.12 -3.30 116.94 112.25 2wsb h PHE 127 Ca -0.04 -0.24 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 2wsb h PHE 127 Cb 0.46 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2wsb h PHE 127 CO 0.00 1.16 -0.19 0.78 -0.60 0.00 0.00 178.31 179.47 2wsb h GLY 128 N 1.97 0.00 0.38 -1.45 0.00 -0.45 -3.24 103.07 100.27 2wsb h GLY 128 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2wsb h GLY 128 CO 0.17 0.00 -0.21 -0.09 0.00 0.00 0.00 176.54 176.41 2wsb h ARG 129 N 0.00 -0.27 -0.03 4.80 2.43 -1.54 0.10 114.38 119.87 2wsb h ARG 129 Ca -0.00 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2wsb h ARG 129 Cb 0.58 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2wsb h ARG 129 CO 0.02 -0.18 -0.60 0.00 -1.51 0.00 0.00 179.97 177.70 2wsb h ALA 130 N 0.68 0.94 0.07 2.80 0.00 -1.79 -1.64 119.26 120.31 2wsb h ALA 130 Ca 0.09 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 130 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wsb h ALA 130 CO -0.27 0.74 -0.04 0.52 0.00 0.00 0.00 179.25 180.20 2wsb h MET 131 N 0.09 -0.09 -0.87 0.00 2.86 -1.42 -1.55 114.93 113.95 2wsb h MET 131 Ca -0.01 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2wsb h MET 131 Cb 1.08 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 2wsb h MET 131 CO 0.09 -0.01 0.56 0.28 1.06 0.00 0.00 176.91 178.89 2wsb h VAL 132 N -0.16 1.01 -0.16 -2.22 2.07 -0.62 -0.43 116.25 115.73 2wsb h VAL 132 Ca -0.01 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 2wsb h VAL 132 Cb 0.13 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2wsb h VAL 132 CO 0.02 0.17 -0.41 0.00 0.02 0.00 0.00 177.57 177.36 2wsb h ALA 133 N 1.55 0.99 0.00 1.67 0.00 -1.05 -1.62 119.26 120.81 2wsb h ALA 133 Ca 0.39 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wsb h ALA 133 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wsb h ALA 133 CO -0.15 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.26 2wsb n ARG 134 N -4.02 0.10 -2.04 0.00 1.74 -0.60 -4.93 116.66 106.91 2wsb n ARG 134 Ca -0.02 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 2wsb n ARG 134 Cb 0.50 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 2wsb n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wsb n GLY 135 N 1.39 0.18 3.61 -0.13 0.00 -0.27 -5.01 105.19 104.96 2wsb n GLY 135 Ca 0.06 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 2wsb n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 136 N -2.56 -1.81 0.00 4.61 0.00 -0.63 -4.28 121.76 117.10 2wsb s ALA 136 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2wsb s ALA 136 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2wsb s ALA 136 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2wsb n GLY 137 N 2.19 1.54 2.86 0.00 0.00 -1.06 -4.55 105.19 106.17 2wsb n GLY 137 Ca -0.15 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2wsb n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 138 N -2.00 0.20 -0.04 4.61 0.00 -0.53 -1.29 121.76 122.70 2wsb s ALA 138 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.07 2wsb s ALA 138 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2wsb s ALA 138 CO 0.00 -0.02 -0.22 0.42 0.00 0.00 0.00 175.76 175.95 2wsb s ILE 139 N 0.46 1.77 -0.21 0.00 1.01 0.24 -1.35 121.20 123.11 2wsb s ILE 139 Ca -0.04 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2wsb s ILE 139 Cb -0.07 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 40.95 2wsb s ILE 139 CO -0.01 0.50 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 2wsb s VAL 140 N -0.20 1.94 0.00 2.92 1.01 0.25 -1.49 120.40 124.83 2wsb s VAL 140 Ca -0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 2wsb s VAL 140 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2wsb s VAL 140 CO 0.02 0.21 0.24 0.20 0.00 0.00 0.00 175.10 175.77 2wsb s ASN 141 N 1.27 6.45 -0.76 3.32 0.01 0.10 -1.18 114.94 124.15 2wsb s ASN 141 Ca -0.02 0.48 -0.21 0.00 -0.71 0.00 0.00 52.86 52.40 2wsb s ASN 141 Cb -0.17 -2.06 0.09 0.00 0.41 0.00 0.00 41.25 39.53 2wsb s ASN 141 CO -0.09 0.26 1.01 -0.76 -1.51 0.00 0.00 177.10 176.01 2wsb s LEU 142 N -1.82 4.67 0.00 0.60 2.01 -0.81 -1.37 118.68 121.96 2wsb s LEU 142 Ca 0.27 -1.41 0.00 0.00 0.01 0.00 0.00 54.13 53.01 2wsb s LEU 142 Cb -0.13 -2.41 0.00 0.00 0.01 0.00 0.00 46.19 43.66 2wsb s LEU 142 CO 0.17 -1.29 0.00 0.61 1.01 0.00 0.00 176.35 176.85 2wsb n GLY 143 N 5.42 0.93 3.53 -3.19 0.00 0.48 -4.97 105.19 107.40 2wsb n GLY 143 Ca 0.06 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 2wsb n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wsb s SER 144 N -1.00 -0.34 0.61 1.61 0.15 -1.21 -4.40 113.70 109.12 2wsb s SER 144 Ca 0.00 0.08 0.30 0.00 0.70 0.00 0.00 55.95 57.03 2wsb s SER 144 Cb 0.00 0.34 1.66 0.00 -1.71 0.00 0.00 66.02 66.31 2wsb s SER 144 CO 0.00 -0.52 2.05 0.00 1.20 0.00 0.00 173.24 175.97 2wsb h MET 145 N 2.11 0.00 0.00 5.44 -0.00 -0.88 0.14 114.93 121.74 2wsb h MET 145 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 2wsb h MET 145 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2wsb h MET 145 CO 0.30 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.64 2wsb n SER 146 N -3.60 0.00 0.01 -0.10 7.64 -1.26 -0.78 113.62 115.54 2wsb n SER 146 Ca 0.02 -0.12 0.12 0.00 1.01 0.00 0.00 58.87 59.90 2wsb n SER 146 Cb 0.39 -0.16 0.27 0.00 -1.01 0.00 0.00 64.21 63.70 2wsb n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsb n GLY 147 N -0.20 -1.31 0.41 0.23 0.00 0.04 -4.42 105.19 99.94 2wsb n GLY 147 Ca 0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 2wsb n GLY 147 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wsb n THR 148 N -1.62 0.52 -4.56 2.61 -1.04 -0.24 -4.26 114.28 105.70 2wsb n THR 148 Ca 0.05 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.05 61.64 2wsb n THR 148 Cb 0.36 -1.27 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 2wsb n THR 148 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2wsb n ILE 149 N -3.13 0.00 -5.06 12.58 -6.64 0.04 -5.15 119.36 111.99 2wsb n ILE 149 Ca -0.17 -2.11 -0.32 0.00 -1.77 0.00 0.00 62.75 58.37 2wsb n ILE 149 Cb 0.65 0.59 -0.16 0.00 -1.44 0.00 0.00 39.64 39.28 2wsb n ILE 149 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 2wsb s VAL 150 N -2.76 2.42 0.89 7.28 1.01 -1.26 -4.20 120.40 123.77 2wsb s VAL 150 Ca 0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2wsb s VAL 150 Cb 0.00 -1.96 0.13 0.00 0.00 0.00 0.00 36.38 34.55 2wsb s VAL 150 CO 0.06 0.55 1.11 0.20 0.00 0.00 0.00 175.10 177.02 2wsb s ASN 151 N 0.31 3.37 -0.02 3.32 0.01 -1.26 -5.07 114.94 115.59 2wsb s ASN 151 Ca -0.15 1.89 -0.09 0.00 -0.71 0.00 0.00 52.86 53.80 2wsb s ASN 151 Cb -0.17 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2wsb s ASN 151 CO 0.08 -2.77 0.20 0.00 -1.51 0.00 0.00 177.10 173.10 2wsb s ARG 152 N -4.77 0.50 0.04 -0.60 1.70 -1.26 -4.64 118.95 109.93 2wsb s ARG 152 Ca 0.64 -0.23 0.24 0.00 -0.47 0.00 0.00 55.73 55.92 2wsb s ARG 152 Cb -0.20 0.22 0.28 0.00 -0.57 0.00 0.00 34.95 34.67 2wsb s ARG 152 CO 0.58 -0.12 1.24 -0.35 -1.08 0.00 0.00 175.30 175.57 2wsb n PRO 153 N 1.65 0.16 -2.38 3.89 -0.04 -1.26 -4.61 135.00 132.41 2wsb n PRO 153 Ca -0.21 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 2wsb n PRO 153 Cb 0.56 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2wsb n PRO 153 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2wsb s GLN 154 N -3.10 3.85 -0.06 0.54 0.00 -1.26 -5.03 119.66 114.60 2wsb s GLN 154 Ca 0.07 1.63 -0.02 0.00 -0.00 0.00 0.00 55.36 57.05 2wsb s GLN 154 Cb 0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 33.01 30.76 2wsb s GLN 154 CO 0.75 -0.44 0.03 -0.06 0.00 0.00 0.00 175.29 175.57 2wsb s PHE 155 N -1.66 3.21 -0.44 9.60 2.99 -1.26 -4.78 117.98 125.65 2wsb s PHE 155 Ca 0.63 0.21 0.05 0.00 0.00 0.00 0.00 56.93 57.82 2wsb s PHE 155 Cb -0.25 -1.77 0.30 0.00 0.00 0.00 0.00 43.02 41.30 2wsb s PHE 155 CO 0.30 0.51 1.11 0.00 -0.00 0.00 0.00 175.22 177.14 2wsb n ALA 156 N 1.83 -1.57 0.15 5.36 0.00 -1.25 -1.07 120.51 123.95 2wsb n ALA 156 Ca -0.17 -1.18 0.06 0.00 0.00 0.00 0.00 53.44 52.15 2wsb n ALA 156 Cb 0.53 -1.70 0.55 0.00 0.00 0.00 0.00 19.45 18.83 2wsb n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wsb h SER 157 N 3.15 0.20 -0.19 0.00 4.64 -1.88 0.11 113.55 119.58 2wsb h SER 157 Ca -0.16 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 2wsb h SER 157 Cb 1.11 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2wsb h SER 157 CO 0.13 0.15 -0.09 0.77 -0.87 0.00 0.00 176.83 176.92 2wsb h SER 158 N 0.24 0.52 -0.32 4.97 4.64 -1.93 -1.16 113.55 120.52 2wsb h SER 158 Ca 0.07 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 2wsb h SER 158 Cb -0.02 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2wsb h SER 158 CO -0.01 0.66 -0.05 0.22 -0.87 0.00 0.00 176.83 176.77 2wsb h TYR 159 N 0.51 0.67 -0.25 4.77 3.20 -1.30 0.45 116.97 125.02 2wsb h TYR 159 Ca 0.10 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2wsb h TYR 159 Cb 0.47 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2wsb h TYR 159 CO 0.02 0.76 0.12 0.52 -1.64 0.00 0.00 178.16 177.94 2wsb h MET 160 N 0.39 0.36 -0.88 1.82 2.86 -1.25 -0.74 114.93 117.48 2wsb h MET 160 Ca 0.08 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wsb h MET 160 Cb 0.53 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2wsb h MET 160 CO 0.03 0.36 0.58 0.00 1.06 0.00 0.00 176.91 178.93 2wsb h ALA 161 N 0.98 1.11 -0.51 6.32 0.00 -1.17 -0.89 119.26 125.10 2wsb h ALA 161 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2wsb h ALA 161 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wsb h ALA 161 CO -0.01 0.52 -0.00 0.66 0.00 0.00 0.00 179.25 180.42 2wsb h SER 162 N 1.19 0.84 1.22 0.00 4.64 -0.34 -1.65 113.55 119.45 2wsb h SER 162 Ca 0.32 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 2wsb h SER 162 Cb -0.13 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.72 2wsb h SER 162 CO -0.07 0.90 -0.53 0.11 -0.87 0.00 0.00 176.83 176.37 2wsb h LYS 163 N 0.80 0.00 -0.91 4.77 1.79 -0.63 0.03 116.57 122.42 2wsb h LYS 163 Ca 0.15 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2wsb h LYS 163 Cb 0.48 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 2wsb h LYS 163 CO 0.02 0.53 0.51 0.78 -1.08 0.00 0.00 179.45 180.21 2wsb h GLY 164 N 2.96 1.35 1.10 3.86 0.00 -0.85 -1.23 103.07 110.26 2wsb h GLY 164 Ca -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 2wsb h GLY 164 CO 0.07 0.58 -0.31 0.00 0.00 0.00 0.00 176.54 176.87 2wsb h ALA 165 N 1.29 0.58 -0.28 3.60 0.00 -0.93 -2.41 119.26 121.11 2wsb h ALA 165 Ca 0.32 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2wsb h ALA 165 Cb 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2wsb h ALA 165 CO -0.05 0.63 -0.07 0.28 0.00 0.00 0.00 179.25 180.04 2wsb h VAL 166 N 0.74 0.71 -0.52 0.00 2.07 -0.55 0.15 116.25 118.86 2wsb h VAL 166 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2wsb h VAL 166 Cb 0.90 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2wsb h VAL 166 CO 0.08 0.00 0.31 0.45 0.02 0.00 0.00 177.57 178.43 2wsb h HIS 167 N -0.01 0.69 0.00 1.57 3.86 -1.10 -0.75 115.15 119.42 2wsb h HIS 167 Ca 0.14 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.23 2wsb h HIS 167 Cb 0.21 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2wsb h HIS 167 CO -0.28 0.49 -0.54 1.96 0.86 0.00 0.00 177.93 180.43 2wsb h GLN 168 N 0.70 0.00 -0.28 2.45 1.08 -1.12 -2.29 115.11 115.65 2wsb h GLN 168 Ca 0.19 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.23 2wsb h GLN 168 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2wsb h GLN 168 CO -0.03 0.54 -0.44 1.25 -0.95 0.00 0.00 178.83 179.19 2wsb h LEU 169 N 0.00 0.76 -0.09 1.46 5.85 -0.48 0.16 115.31 122.98 2wsb h LEU 169 Ca -0.01 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.39 2wsb h LEU 169 Cb 1.18 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2wsb h LEU 169 CO 0.07 1.09 -0.20 0.74 -0.34 0.00 0.00 178.44 179.80 2wsb h THR 170 N 0.57 0.50 -0.39 1.05 2.02 -1.04 -1.48 112.91 114.14 2wsb h THR 170 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2wsb h THR 170 Cb 0.99 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2wsb h THR 170 CO 0.09 0.00 -0.18 0.03 0.37 0.00 0.00 175.52 175.83 2wsb h ARG 171 N -0.27 0.75 -0.43 6.66 3.08 -1.11 -0.05 114.38 123.01 2wsb h ARG 171 Ca 0.09 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2wsb h ARG 171 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2wsb h ARG 171 CO -0.25 0.88 0.19 0.00 -1.07 0.00 0.00 179.97 179.72 2wsb h ALA 172 N 1.13 0.55 -0.05 0.04 0.00 -0.45 -0.36 119.26 120.13 2wsb h ALA 172 Ca 0.10 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2wsb h ALA 172 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wsb h ALA 172 CO 0.05 0.14 -0.69 -0.07 0.00 0.00 0.00 179.25 178.68 2wsb h LEU 173 N 0.55 0.28 -0.61 0.00 3.38 -1.16 -1.41 115.31 116.34 2wsb h LEU 173 Ca 0.14 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2wsb h LEU 173 Cb 0.15 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2wsb h LEU 173 CO -0.02 0.89 0.37 0.00 0.09 0.00 0.00 178.44 179.77 2wsb h ALA 174 N 1.11 0.79 -0.39 1.53 0.00 -0.66 -0.79 119.26 120.85 2wsb h ALA 174 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2wsb h ALA 174 Cb 1.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2wsb h ALA 174 CO 0.11 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.39 2wsb h ALA 175 N 1.27 0.54 -0.01 0.00 0.00 -0.85 -1.48 119.26 118.73 2wsb h ALA 175 Ca 0.25 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2wsb h ALA 175 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wsb h ALA 175 CO -0.11 0.38 -0.69 1.49 0.00 0.00 0.00 179.25 180.32 2wsb h GLU 176 N 0.56 0.07 -0.09 0.00 4.81 -1.04 -3.18 114.58 115.71 2wsb h GLU 176 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2wsb h GLU 176 Cb 0.57 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2wsb h GLU 176 CO 0.03 0.73 0.00 0.91 -0.73 0.00 0.00 179.01 179.95 2wsb n TRP 177 N -3.75 0.09 -0.32 0.92 8.01 -0.32 -4.58 117.44 117.49 2wsb n TRP 177 Ca -0.02 -0.05 -0.04 0.00 -1.31 0.00 0.00 57.50 56.08 2wsb n TRP 177 Cb 0.68 -0.00 0.08 0.00 -2.01 0.00 0.00 31.31 30.06 2wsb n TRP 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2wsb h ALA 178 N 3.94 1.10 0.00 6.99 0.00 -1.24 -1.24 119.26 128.82 2wsb h ALA 178 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wsb h ALA 178 Cb 0.85 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wsb h ALA 178 CO 0.00 0.57 0.00 0.78 0.00 0.00 0.00 179.25 180.60 2wsb h GLY 179 N 1.19 0.00 -2.53 0.00 0.00 -1.81 -2.73 103.07 97.20 2wsb h GLY 179 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2wsb h GLY 179 CO -0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.02 2wsb n ARG 180 N -2.51 3.85 -0.66 4.80 1.74 -0.50 -4.98 116.66 118.39 2wsb n ARG 180 Ca 0.02 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 2wsb n ARG 180 Cb 0.30 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2wsb n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wsb n GLY 181 N 0.09 0.76 3.47 -0.13 0.00 -0.99 -3.76 105.19 104.64 2wsb n GLY 181 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 2wsb n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsb s VAL 182 N -2.73 4.52 0.19 1.61 1.01 -1.08 -2.57 120.40 121.35 2wsb s VAL 182 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2wsb s VAL 182 Cb 0.00 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2wsb s VAL 182 CO 0.00 0.31 0.56 -0.13 0.00 0.00 0.00 175.10 175.85 2wsb s ARG 183 N 1.64 3.92 -0.07 2.72 0.52 -0.41 -4.21 118.95 123.06 2wsb s ARG 183 Ca 0.06 0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 2wsb s ARG 183 Cb -0.15 -2.80 0.04 0.00 0.52 0.00 0.00 34.95 32.56 2wsb s ARG 183 CO 0.05 0.40 0.13 0.08 0.02 0.00 0.00 175.30 175.98 2wsb s VAL 184 N -1.62 -0.20 0.17 3.52 1.01 -1.26 -0.59 120.40 121.43 2wsb s VAL 184 Ca 0.42 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.77 2wsb s VAL 184 Cb -0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2wsb s VAL 184 CO 0.20 0.15 0.01 0.20 0.00 0.00 0.00 175.10 175.66 2wsb s ASN 185 N 2.11 1.07 0.08 3.32 0.01 -0.56 -0.28 114.94 120.69 2wsb s ASN 185 Ca 0.02 -1.18 0.07 0.00 -0.71 0.00 0.00 52.86 51.07 2wsb s ASN 185 Cb -0.12 0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 2wsb s ASN 185 CO -0.05 -0.59 -0.19 0.00 -1.51 0.00 0.00 177.10 174.76 2wsb s ALA 186 N -3.72 1.63 0.09 0.60 0.00 -0.11 -0.72 121.76 119.53 2wsb s ALA 186 Ca 0.24 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2wsb s ALA 186 Cb 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 2wsb s ALA 186 CO 0.03 0.32 0.46 -0.51 0.00 0.00 0.00 175.76 176.07 2wsb s LEU 187 N -1.73 4.38 -0.62 0.00 1.43 -0.47 -0.81 118.68 120.86 2wsb s LEU 187 Ca 0.05 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 2wsb s LEU 187 Cb -0.10 -3.00 0.16 0.00 0.03 0.00 0.00 46.19 43.28 2wsb s LEU 187 CO 0.03 0.18 0.41 0.00 0.23 0.00 0.00 176.35 177.21 2wsb s ALA 188 N -1.34 3.45 0.62 4.21 0.00 0.61 -0.38 121.76 128.93 2wsb s ALA 188 Ca 0.33 -3.54 -0.16 0.00 0.00 0.00 0.00 51.96 48.58 2wsb s ALA 188 Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 2wsb s ALA 188 CO 0.18 -2.07 1.10 -2.14 0.00 0.00 0.00 175.76 172.82 2wsb s PRO 189 N -0.96 3.03 0.00 0.00 0.02 -1.26 -1.88 135.00 133.95 2wsb s PRO 189 Ca 0.23 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2wsb s PRO 189 Cb -0.11 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2wsb s PRO 189 CO -0.12 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 2wsb n GLY 190 N -0.57 -0.68 3.73 0.52 0.00 -0.22 -0.52 105.19 107.45 2wsb n GLY 190 Ca 0.10 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2wsb n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wsb s TYR 191 N 0.01 2.99 0.04 1.61 2.02 -1.26 -4.89 117.35 117.87 2wsb s TYR 191 Ca 0.00 0.80 0.08 0.00 -0.37 0.00 0.00 57.07 57.57 2wsb s TYR 191 Cb 0.00 -3.91 -0.02 0.00 -0.40 0.00 0.00 41.96 37.62 2wsb s TYR 191 CO 0.00 -3.18 -0.22 0.08 -1.57 0.00 0.00 175.55 170.67 2wsb s VAL 192 N 0.52 1.75 -1.04 0.71 1.01 -1.26 -0.37 120.40 121.71 2wsb s VAL 192 Ca 0.65 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2wsb s VAL 192 Cb -0.44 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.50 2wsb s VAL 192 CO 0.38 0.27 1.42 0.00 0.00 0.00 0.00 175.10 177.18 2wsb s ALA 193 N -0.76 2.94 0.37 5.51 0.00 -0.51 -4.64 121.76 124.67 2wsb s ALA 193 Ca 0.08 -2.47 0.05 0.00 0.00 0.00 0.00 51.96 49.63 2wsb s ALA 193 Cb -0.09 -4.44 -0.03 0.00 0.00 0.00 0.00 23.12 18.56 2wsb s ALA 193 CO 0.01 -3.44 0.20 0.95 0.00 0.00 0.00 175.76 173.49 2wsb s THR 194 N 4.36 0.27 0.52 0.00 -4.23 -1.26 -4.60 115.64 110.70 2wsb s THR 194 Ca 0.44 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.15 2wsb s THR 194 Cb -0.01 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.70 2wsb s THR 194 CO -0.08 0.00 2.15 -0.08 -0.54 0.00 0.00 174.62 176.07 2wsb h GLU 195 N 1.97 0.00 -0.47 3.99 4.57 -1.97 -1.87 114.58 120.80 2wsb h GLU 195 Ca -0.30 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2wsb h GLU 195 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2wsb h GLU 195 CO 0.46 0.04 0.18 1.98 -1.18 0.00 0.00 179.01 180.49 2wsb h MET 196 N 0.00 0.67 -0.02 1.92 4.05 -1.96 -3.11 114.93 116.49 2wsb h MET 196 Ca -0.00 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2wsb h MET 196 Cb 0.07 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2wsb h MET 196 CO 0.00 0.56 -0.26 0.25 0.23 0.00 0.00 176.91 177.69 2wsb n THR 197 N -4.36 0.00 0.28 -0.77 -2.24 -0.81 -4.75 114.28 101.63 2wsb n THR 197 Ca 0.04 -0.37 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 2wsb n THR 197 Cb 0.15 1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 2wsb n THR 197 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wsb h LEU 198 N 2.47 -0.83 -0.40 3.22 5.85 -1.29 0.15 115.31 124.47 2wsb h LEU 198 Ca 0.00 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2wsb h LEU 198 Cb 0.65 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2wsb h LEU 198 CO 0.00 -0.50 0.03 0.11 -0.34 0.00 0.00 178.44 177.74 2wsb h LYS 199 N -0.79 0.14 -0.99 1.25 1.79 -1.86 -2.11 116.57 114.01 2wsb h LYS 199 Ca -0.05 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2wsb h LYS 199 Cb 0.65 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.21 2wsb h LYS 199 CO 0.04 0.09 0.65 0.52 -1.08 0.00 0.00 179.45 179.67 2wsb h MET 200 N 0.14 1.20 0.00 3.15 2.86 -1.73 -0.39 114.93 120.17 2wsb h MET 200 Ca 0.20 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2wsb h MET 200 Cb 0.26 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2wsb h MET 200 CO -0.30 0.79 0.00 0.00 1.06 0.00 0.00 176.91 178.47 2wsb h ARG 201 N 1.24 0.00 -0.06 1.72 3.08 -0.08 -1.00 114.38 119.29 2wsb h ARG 201 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2wsb h ARG 201 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2wsb h ARG 201 CO -0.13 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.16 2wsb n GLU 202 N -2.85 1.39 -3.48 0.04 1.02 -0.16 -4.62 120.64 111.99 2wsb n GLU 202 Ca -0.01 -0.58 -0.42 0.00 -0.02 0.00 0.00 57.16 56.13 2wsb n GLU 202 Cb 0.18 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 2wsb n GLU 202 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wsb s ARG 203 N -1.93 2.63 0.30 3.49 0.52 -0.38 -4.97 118.95 118.60 2wsb s ARG 203 Ca 0.36 -1.75 0.05 0.00 -0.52 0.00 0.00 55.73 53.86 2wsb s ARG 203 Cb 0.18 -4.04 0.76 0.00 0.52 0.00 0.00 34.95 32.37 2wsb s ARG 203 CO 0.29 -1.24 1.69 -1.35 0.02 0.00 0.00 175.30 174.71 2wsb h PRO 204 N 8.59 0.37 -0.05 3.54 0.11 -1.84 0.43 132.00 143.15 2wsb h PRO 204 Ca -0.24 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.86 2wsb h PRO 204 Cb 1.08 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wsb h PRO 204 CO 0.92 0.25 0.10 1.05 -0.21 0.00 0.00 178.00 180.10 2wsb h GLU 205 N 0.38 0.00 0.00 1.05 9.09 -1.93 -1.85 114.58 121.32 2wsb h GLU 205 Ca 0.58 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.86 2wsb h GLU 205 Cb 1.12 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.20 2wsb h GLU 205 CO -0.54 0.00 -1.01 1.28 0.05 0.00 0.00 179.01 178.78 2wsb n LEU 206 N -3.41 1.85 -0.02 3.06 4.77 -0.02 -4.64 117.00 118.59 2wsb n LEU 206 Ca -0.02 0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 56.42 2wsb n LEU 206 Cb 0.18 -0.89 0.16 0.00 -2.33 0.00 0.00 43.42 40.54 2wsb n LEU 206 CO 0.23 -0.09 0.72 0.15 -1.33 0.00 0.00 177.39 177.07 2wsb h PHE 207 N -1.00 0.67 -0.61 -1.77 3.57 -0.92 -1.57 116.94 115.32 2wsb h PHE 207 Ca -0.19 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 2wsb h PHE 207 Cb 0.95 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2wsb h PHE 207 CO -0.11 0.78 0.22 0.93 -2.23 0.00 0.00 178.31 177.91 2wsb h GLU 208 N 0.52 0.90 -0.17 1.11 5.08 -1.59 -1.71 114.58 118.72 2wsb h GLU 208 Ca 0.07 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 2wsb h GLU 208 Cb 0.70 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2wsb h GLU 208 CO 0.05 0.75 -0.66 1.15 -1.00 0.00 0.00 179.01 179.30 2wsb h THR 209 N 0.88 1.30 -0.16 1.13 2.02 -1.53 -1.42 112.91 115.13 2wsb h THR 209 Ca 0.20 -1.87 0.03 0.00 0.77 0.00 0.00 66.41 65.54 2wsb h THR 209 Cb 0.20 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2wsb h THR 209 CO -0.02 0.59 -0.03 -0.50 0.37 0.00 0.00 175.52 175.94 2wsb h TRP 210 N 0.46 -0.06 -0.50 3.16 4.06 -0.97 -0.60 115.95 121.51 2wsb h TRP 210 Ca -0.03 0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.80 2wsb h TRP 210 Cb 1.29 0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.48 2wsb h TRP 210 CO 0.09 -0.05 -0.18 -0.07 -3.56 0.00 0.00 178.44 174.67 2wsb h LEU 211 N 0.02 1.01 -1.47 -4.49 3.38 -1.27 -2.92 115.31 109.57 2wsb h LEU 211 Ca 0.07 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2wsb h LEU 211 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2wsb h LEU 211 CO -0.15 1.16 0.13 -0.78 0.09 0.00 0.00 178.44 178.89 2wsb h ASP 212 N 0.87 0.43 0.55 -0.43 3.58 -0.78 -2.41 116.42 118.21 2wsb h ASP 212 Ca 0.12 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2wsb h ASP 212 Cb 0.76 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2wsb h ASP 212 CO 0.06 0.40 -0.07 0.23 -2.88 0.00 0.00 179.24 176.98 2wsb n MET 213 N -4.39 0.44 -3.65 0.28 2.81 -0.27 -4.74 117.12 107.59 2wsb n MET 213 Ca 0.02 -0.09 -0.38 0.00 -1.81 0.00 0.00 57.70 55.45 2wsb n MET 213 Cb 0.14 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.04 2wsb n MET 213 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wsb s THR 214 N -2.62 4.83 0.24 2.03 2.01 -0.91 -4.63 115.64 116.59 2wsb s THR 214 Ca 0.26 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 2wsb s THR 214 Cb 0.20 -3.33 0.21 0.00 0.01 0.00 0.00 72.50 69.59 2wsb s THR 214 CO 0.49 0.23 1.76 -0.65 -0.69 0.00 0.00 174.62 175.76 2wsb h PRO 215 N 8.33 0.54 -0.01 4.92 0.11 -1.77 0.16 132.00 144.28 2wsb h PRO 215 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wsb h PRO 215 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wsb h PRO 215 CO 0.58 0.36 0.03 0.52 -0.21 0.00 0.00 178.00 179.28 2wsb h MET 216 N 0.56 0.00 -0.05 1.05 2.86 -1.57 -3.47 114.93 114.31 2wsb h MET 216 Ca 0.40 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2wsb h MET 216 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2wsb h MET 216 CO -0.33 0.00 -0.02 0.41 1.06 0.00 0.00 176.91 178.03 2wsb n GLY 217 N -1.20 0.49 3.34 8.32 0.00 0.55 -5.02 105.19 111.67 2wsb n GLY 217 Ca -0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 2wsb n GLY 217 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wsb s ARG 218 N -1.45 1.04 0.76 1.61 1.70 -1.26 -4.93 118.95 116.42 2wsb s ARG 218 Ca 0.00 -0.48 -0.12 0.00 -0.47 0.00 0.00 55.73 54.66 2wsb s ARG 218 Cb 0.00 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 34.90 2wsb s ARG 218 CO 0.00 -0.39 1.11 0.00 -1.08 0.00 0.00 175.30 174.94 2wsb s GLY 220 N -2.98 2.11 0.35 0.00 0.00 0.50 -4.89 107.32 102.41 2wsb s GLY 220 Ca 0.64 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 45.53 2wsb s GLY 220 CO 0.52 0.49 0.63 -0.54 0.00 0.00 0.00 173.10 174.20 2wsb s GLU 221 N -3.95 3.63 0.36 2.90 0.41 -1.26 -1.42 118.70 119.37 2wsb s GLU 221 Ca 0.59 0.10 0.03 0.00 -0.41 0.00 0.00 54.97 55.28 2wsb s GLU 221 Cb -0.10 -2.55 0.68 0.00 -1.78 0.00 0.00 34.13 30.38 2wsb s GLU 221 CO 0.29 0.09 2.02 -1.35 -0.49 0.00 0.00 175.26 175.82 2wsb h PRO 222 N 1.27 0.76 -0.09 0.39 0.11 -1.94 -0.43 132.00 132.07 2wsb h PRO 222 Ca -0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2wsb h PRO 222 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2wsb h PRO 222 CO 0.64 0.51 -0.03 0.66 -0.21 0.00 0.00 178.00 179.58 2wsb h SER 223 N 0.78 0.12 0.24 -2.05 4.64 -1.94 -1.00 113.55 114.34 2wsb h SER 223 Ca 0.21 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 2wsb h SER 223 Cb -0.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2wsb h SER 223 CO -0.04 0.17 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.48 2wsb h GLU 224 N 0.13 0.07 0.22 4.77 5.08 -1.46 -0.29 114.58 123.10 2wsb h GLU 224 Ca 0.03 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.08 2wsb h GLU 224 Cb 0.14 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.41 2wsb h GLU 224 CO 0.00 0.35 -1.29 0.82 -1.00 0.00 0.00 179.01 177.90 2wsb h ILE 225 N 0.07 1.34 -0.57 3.13 1.08 -1.28 -3.28 117.51 117.99 2wsb h ILE 225 Ca 0.01 -2.64 -0.05 0.00 -0.39 0.00 0.00 64.86 61.79 2wsb h ILE 225 Cb 0.53 3.09 -0.03 0.00 -3.07 0.00 0.00 36.82 37.34 2wsb h ILE 225 CO 0.04 0.78 0.16 0.00 -0.69 0.00 0.00 178.15 178.44 2wsb h ALA 226 N 0.13 1.20 -0.58 1.87 0.00 -1.09 -0.80 119.26 119.99 2wsb h ALA 226 Ca -0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2wsb h ALA 226 Cb 2.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2wsb h ALA 226 CO 0.24 0.55 0.12 0.00 0.00 0.00 0.00 179.25 180.16 2wsb h ALA 227 N 1.33 1.13 -0.29 0.00 0.00 -1.17 0.21 119.26 120.47 2wsb h ALA 227 Ca 0.19 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2wsb h ALA 227 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wsb h ALA 227 CO -0.00 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.50 2wsb h ALA 228 N 1.26 0.88 -0.61 0.00 0.00 -1.45 -1.48 119.26 117.87 2wsb h ALA 228 Ca 0.18 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2wsb h ALA 228 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2wsb h ALA 228 CO 0.00 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.97 2wsb h ALA 229 N 1.10 1.01 -0.63 0.00 0.00 -0.70 -1.77 119.26 118.27 2wsb h ALA 229 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2wsb h ALA 229 Cb 0.83 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2wsb h ALA 229 CO 0.07 0.63 0.22 1.25 0.00 0.00 0.00 179.25 181.42 2wsb h LEU 230 N 0.93 0.91 -0.12 0.00 5.85 -0.78 0.11 115.31 122.21 2wsb h LEU 230 Ca 0.19 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2wsb h LEU 230 Cb 0.42 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2wsb h LEU 230 CO 0.01 0.86 -0.26 0.15 -0.34 0.00 0.00 178.44 178.86 2wsb h PHE 231 N 0.90 -0.70 -0.07 1.25 3.57 -0.98 -1.75 116.94 119.16 2wsb h PHE 231 Ca 0.21 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2wsb h PHE 231 Cb 0.26 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2wsb h PHE 231 CO 0.02 -0.34 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.46 2wsb h LEU 232 N -0.34 0.12 0.00 0.59 3.38 -0.81 -2.49 115.31 115.77 2wsb h LEU 232 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wsb h LEU 232 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2wsb h LEU 232 CO -0.31 0.36 -0.07 0.00 0.09 0.00 0.00 178.44 178.51 2wsb h ALA 233 N 1.66 0.96 -2.06 1.53 0.00 -0.40 -3.44 119.26 117.50 2wsb h ALA 233 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.47 2wsb h ALA 233 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.30 2wsb h ALA 233 CO 0.03 0.00 -0.05 -1.54 0.00 0.00 0.00 179.25 177.69 2wsb s SER 234 N -5.02 5.72 0.43 0.00 1.04 -0.69 -4.84 113.70 110.33 2wsb s SER 234 Ca 0.09 0.29 0.29 0.00 0.48 0.00 0.00 55.95 57.10 2wsb s SER 234 Cb 0.10 -1.45 1.53 0.00 0.10 0.00 0.00 66.02 66.30 2wsb s SER 234 CO 0.63 -0.81 1.89 -0.65 0.98 0.00 0.00 173.24 175.28 2wsb h PRO 235 N 0.28 0.00 -0.17 4.02 0.11 -1.80 -1.72 132.00 132.72 2wsb h PRO 235 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 2wsb h PRO 235 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2wsb h PRO 235 CO 0.57 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 178.49 2wsb h ALA 236 N 2.03 2.12 -0.58 -0.75 0.00 -1.62 -0.78 119.26 119.68 2wsb h ALA 236 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2wsb h ALA 236 Cb 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.70 2wsb h ALA 236 CO 0.00 -0.22 0.36 0.00 0.00 0.00 0.00 179.25 179.39 2wsb n ALA 237 N -2.55 4.29 0.29 0.00 0.00 -0.65 -4.64 120.51 117.25 2wsb n ALA 237 Ca 0.01 -1.70 0.15 0.00 0.00 0.00 0.00 53.44 51.90 2wsb n ALA 237 Cb 0.26 -1.25 0.87 0.00 0.00 0.00 0.00 19.45 19.33 2wsb n ALA 237 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wsb h SER 238 N 0.77 0.00 -0.58 0.00 4.64 -1.31 0.46 113.55 117.53 2wsb h SER 238 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2wsb h SER 238 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 2wsb h SER 238 CO 0.64 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 2wsb n TYR 239 N -3.75 1.22 -3.80 4.77 9.36 -1.26 -4.92 117.16 118.79 2wsb n TYR 239 Ca -0.03 -0.61 -0.36 0.00 3.32 0.00 0.00 57.90 60.22 2wsb n TYR 239 Cb 0.13 -0.19 -0.13 0.00 -0.63 0.00 0.00 39.34 38.52 2wsb n TYR 239 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wsb s VAL 240 N -1.72 3.96 -0.14 2.97 1.01 0.15 -5.07 120.40 121.55 2wsb s VAL 240 Ca 0.46 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 2wsb s VAL 240 Cb 0.29 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2wsb s VAL 240 CO 0.23 0.30 0.40 0.28 0.00 0.00 0.00 175.10 176.31 2wsb s THR 241 N 1.55 0.00 -0.18 3.92 -1.32 -1.26 -4.70 115.64 113.65 2wsb s THR 241 Ca 0.05 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 2wsb s THR 241 Cb -0.15 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2wsb s THR 241 CO 0.01 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2wsb n GLY 242 N 2.77 0.51 3.84 6.08 0.00 0.61 -4.96 105.19 114.03 2wsb n GLY 242 Ca -0.14 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2wsb n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsb s ALA 243 N -1.91 3.38 -0.38 4.61 0.00 -1.26 -4.74 121.76 121.46 2wsb s ALA 243 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 2wsb s ALA 243 Cb 0.00 -2.75 0.09 0.00 0.00 0.00 0.00 23.12 20.46 2wsb s ALA 243 CO 0.00 0.35 0.16 0.42 0.00 0.00 0.00 175.76 176.68 2wsb s ILE 244 N -1.81 3.26 -0.38 0.00 -1.09 -1.26 -0.93 121.20 119.00 2wsb s ILE 244 Ca 0.49 -1.86 -0.18 0.00 -2.23 0.00 0.00 60.65 56.87 2wsb s ILE 244 Cb -0.12 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.62 2wsb s ILE 244 CO 0.19 -0.54 0.53 -0.22 -1.23 0.00 0.00 174.94 173.67 2wsb s LEU 245 N 1.18 4.46 0.12 2.97 2.96 0.01 -4.88 118.68 125.51 2wsb s LEU 245 Ca 0.05 -0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.46 2wsb s LEU 245 Cb -0.22 -2.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.82 2wsb s LEU 245 CO -0.03 -0.56 1.26 0.00 -1.32 0.00 0.00 176.35 175.71 2wsb s ALA 246 N 2.44 3.47 -0.47 5.97 0.00 -1.26 -0.28 121.76 131.63 2wsb s ALA 246 Ca 0.18 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.17 2wsb s ALA 246 Cb -0.15 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 19.67 2wsb s ALA 246 CO 0.15 -0.48 0.36 0.08 0.00 0.00 0.00 175.76 175.87 2wsb s VAL 247 N 0.67 0.85 0.00 0.00 1.01 -0.79 -4.90 120.40 117.23 2wsb s VAL 247 Ca 0.59 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.63 2wsb s VAL 247 Cb -0.33 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2wsb s VAL 247 CO 0.32 -1.18 0.92 -0.90 0.00 0.00 0.00 175.10 174.27 2wsb n ASP 248 N 2.73 0.00 -1.35 3.32 5.68 -1.26 -1.06 116.55 124.61 2wsb n ASP 248 Ca 0.27 -1.85 -0.18 0.00 -0.50 0.00 0.00 54.79 52.54 2wsb n ASP 248 Cb 0.45 -0.17 -0.08 0.00 -1.14 0.00 0.00 41.12 40.18 2wsb n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wsb n GLY 249 N 0.00 1.68 1.01 6.12 0.00 -1.26 -1.38 105.19 111.36 2wsb n GLY 249 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wsb n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsb n GLY 250 N -0.18 0.76 0.20 -0.02 0.00 -1.26 -1.35 105.19 103.34 2wsb n GLY 250 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2wsb n GLY 250 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wsb h TYR 251 N 0.00 0.13 0.00 1.61 3.20 -1.48 0.23 116.97 120.65 2wsb h TYR 251 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wsb h TYR 251 Cb 0.00 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2wsb h TYR 251 CO 0.00 -0.03 0.00 0.25 -1.64 0.00 0.00 178.16 176.74 2wsb n THR 252 N -5.14 0.00 0.09 1.81 -2.24 -1.26 -3.38 114.28 104.16 2wsb n THR 252 Ca 0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 2wsb n THR 252 Cb 0.26 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 2wsb n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wsb h VAL 253 N 0.00 1.48 0.00 2.28 2.07 -1.35 -3.52 116.25 117.21 2wsb h VAL 253 Ca 0.00 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.63 2wsb h VAL 253 Cb 0.00 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2wsb h VAL 253 CO 0.00 0.85 0.00 0.79 0.02 0.00 0.00 177.57 179.23