#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 6.40 0.27 6.12 -1.08 -1.26 -4.90 116.67 122.21 2wsb s ASP 2 Ca 0.00 -1.90 0.25 0.00 -0.52 0.00 0.00 52.55 50.38 2wsb s ASP 2 Cb 0.00 -2.28 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 2wsb s ASP 2 CO 0.00 -0.93 1.75 1.88 0.52 0.00 0.00 175.17 178.38 2wsb h TYR 3 N 8.74 0.00 -0.66 -5.34 0.05 -2.06 -2.43 116.97 115.26 2wsb h TYR 3 Ca -0.13 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.67 2wsb h TYR 3 Cb 1.07 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.77 2wsb h TYR 3 CO 0.92 0.00 0.43 0.00 -1.05 0.00 0.00 178.16 178.47 2wsb h ARG 4 N 0.00 0.83 0.00 4.88 3.08 -2.06 -3.28 114.38 117.83 2wsb h ARG 4 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2wsb h ARG 4 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2wsb h ARG 4 CO 0.00 0.55 0.00 0.25 -1.07 0.00 0.00 179.97 179.70 2wsb n THR 5 N -4.44 0.00 0.29 2.04 -2.24 -0.96 -4.75 114.28 104.21 2wsb n THR 5 Ca 0.07 -0.47 0.14 0.00 -2.27 0.00 0.00 64.05 61.52 2wsb n THR 5 Cb 0.07 1.03 0.87 0.00 -2.10 0.00 0.00 70.33 70.20 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 0.03 0.56 -0.21 2.28 3.04 -1.51 -0.93 116.25 119.50 2wsb h VAL 6 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 2wsb h VAL 6 Cb 0.02 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2wsb h VAL 6 CO 0.00 0.03 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 2wsb n PHE 7 N -3.83 0.27 -3.00 3.17 3.72 -1.26 -1.95 117.46 114.57 2wsb n PHE 7 Ca -0.03 -0.13 -0.24 0.00 -0.05 0.00 0.00 57.45 57.00 2wsb n PHE 7 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.73 3.25 -0.16 -1.08 0.52 -0.35 -4.86 118.95 114.53 2wsb s ARG 8 Ca 0.35 -0.31 0.15 0.00 -0.52 0.00 0.00 55.73 55.40 2wsb s ARG 8 Cb 0.20 -2.54 0.42 0.00 0.52 0.00 0.00 34.95 33.56 2wsb s ARG 8 CO 0.30 -0.17 1.21 1.28 0.02 0.00 0.00 175.30 177.93 2wsb n LEU 9 N -2.06 2.29 -4.70 2.53 4.77 0.64 -4.54 117.00 115.93 2wsb n LEU 9 Ca -0.00 -3.42 -0.44 0.00 -0.03 0.00 0.00 56.01 52.12 2wsb n LEU 9 Cb 0.57 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2wsb n LEU 9 CO 0.49 1.18 1.22 0.47 -1.33 0.00 0.00 177.39 179.42 2wsb n ASP 10 N -0.69 3.44 0.00 -1.43 8.00 -1.09 -1.46 116.55 123.31 2wsb n ASP 10 Ca 0.16 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2wsb n ASP 10 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 3.09 2.06 3.89 0.44 0.00 -1.23 -4.98 105.19 108.46 2wsb n GLY 11 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.41 3.54 -0.14 4.61 0.00 -0.53 -4.94 121.76 121.88 2wsb s ALA 12 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2wsb s ALA 12 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2wsb s ALA 12 CO 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 175.76 175.78 2wsb s ALA 14 N 0.74 2.37 -0.09 0.00 0.00 -0.08 -1.17 121.76 123.54 2wsb s ALA 14 Ca -0.08 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 2wsb s ALA 14 Cb -0.16 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2wsb s ALA 14 CO 0.00 0.39 0.29 0.00 0.00 0.00 0.00 175.76 176.44 2wsb s ALA 15 N -0.09 3.72 -0.12 0.00 0.00 0.08 -0.79 121.76 124.56 2wsb s ALA 15 Ca -0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2wsb s ALA 15 Cb -0.14 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2wsb s ALA 15 CO 0.04 0.40 -0.05 0.08 0.00 0.00 0.00 175.76 176.22 2wsb s VAL 16 N -0.56 0.92 0.37 0.00 1.01 -0.33 -0.54 120.40 121.28 2wsb s VAL 16 Ca 0.19 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 2wsb s VAL 16 Cb -0.14 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 2wsb s VAL 16 CO 0.07 0.26 0.81 0.42 0.00 0.00 0.00 175.10 176.67 2wsb s THR 17 N 1.74 4.61 -1.21 3.92 -4.23 -0.13 -1.18 115.64 119.16 2wsb s THR 17 Ca 0.04 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 2wsb s THR 17 Cb -0.13 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2wsb s THR 17 CO -0.08 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 2wsb n GLY 18 N -0.61 0.36 0.14 3.99 0.00 -0.17 -2.12 105.19 106.77 2wsb n GLY 18 Ca 0.04 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.65 1.61 0.90 4.61 0.00 -1.01 -3.32 120.51 122.66 2wsb n ALA 19 Ca -0.15 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2wsb n ALA 19 Cb 0.55 -1.39 0.55 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.10 -1.36 3.56 0.00 0.00 -1.26 -3.45 105.19 102.57 2wsb n GLY 20 Ca 0.02 -0.09 -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 -2.97 -0.26 1.23 1.61 0.15 -1.21 -4.74 113.70 107.51 2wsb s SER 21 Ca 0.13 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2wsb s SER 21 Cb 0.17 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2wsb s SER 21 CO 0.46 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2wsb n GLY 22 N -0.36 3.11 0.21 9.45 0.00 -1.26 -1.64 105.19 114.70 2wsb n GLY 22 Ca -0.09 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 1.17 -0.94 -0.61 2.04 -1.93 -1.58 117.51 115.66 2wsb h ILE 23 Ca 0.00 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2wsb h ILE 23 Cb 0.00 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2wsb h ILE 23 CO 0.00 0.17 0.62 1.23 0.00 0.00 0.00 178.15 180.17 2wsb h GLY 24 N 0.63 1.32 0.95 5.37 0.00 -1.62 0.15 103.07 109.88 2wsb h GLY 24 Ca 0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2wsb h GLY 24 CO -0.03 0.46 0.14 -2.00 0.00 0.00 0.00 176.54 175.11 2wsb h LEU 25 N 1.25 0.65 -0.97 3.11 5.85 -1.11 -1.34 115.31 122.75 2wsb h LEU 25 Ca 0.35 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2wsb h LEU 25 Cb -0.12 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 2wsb h LEU 25 CO -0.08 0.69 0.44 -0.08 -0.34 0.00 0.00 178.44 179.07 2wsb h GLU 26 N 0.58 1.17 -0.86 1.25 4.57 -0.78 -0.94 114.58 119.57 2wsb h GLU 26 Ca 0.14 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2wsb h GLU 26 Cb 0.27 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 2wsb h GLU 26 CO -0.00 0.86 0.54 0.82 -1.18 0.00 0.00 179.01 180.05 2wsb h ILE 27 N 1.17 1.23 -0.58 2.32 2.04 -0.47 -0.18 117.51 123.04 2wsb h ILE 27 Ca 0.29 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2wsb h ILE 27 Cb 0.05 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 2wsb h ILE 27 CO -0.04 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.63 2wsb h ARG 29 N 0.79 0.50 -0.59 0.00 3.08 -0.44 0.65 114.38 118.36 2wsb h ARG 29 Ca 0.20 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2wsb h ARG 29 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2wsb h ARG 29 CO -0.03 0.33 0.02 0.00 -1.07 0.00 0.00 179.97 179.22 2wsb h ALA 30 N 1.30 0.79 -0.21 0.04 0.00 -0.39 -1.37 119.26 119.41 2wsb h ALA 30 Ca 0.24 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2wsb h ALA 30 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wsb h ALA 30 CO -0.17 0.61 -0.56 0.74 0.00 0.00 0.00 179.25 179.87 2wsb h PHE 31 N 0.92 0.82 -0.52 0.00 -1.00 -0.55 -2.05 116.94 114.57 2wsb h PHE 31 Ca 0.17 -0.30 -0.11 0.00 2.81 0.00 0.00 57.97 60.54 2wsb h PHE 31 Cb 0.53 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 2wsb h PHE 31 CO 0.04 1.06 -0.12 0.00 -1.61 0.00 0.00 178.31 177.68 2wsb h ALA 32 N 0.88 0.81 0.00 2.45 0.00 -0.76 -1.36 119.26 121.27 2wsb h ALA 32 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2wsb h ALA 32 Cb 1.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wsb h ALA 32 CO 0.11 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.93 2wsb h ALA 33 N 0.99 1.25 -0.50 0.00 0.00 -1.06 -2.46 119.26 117.48 2wsb h ALA 33 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wsb h ALA 33 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wsb h ALA 33 CO 0.05 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.84 2wsb n SER 34 N -3.56 3.16 0.00 0.00 7.64 -0.59 -4.95 113.62 115.32 2wsb n SER 34 Ca -0.02 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2wsb n SER 34 Cb 0.21 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.45 0.67 3.83 0.23 0.00 -0.92 -0.26 105.19 110.17 2wsb n GLY 35 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.19 3.02 0.39 4.61 0.00 -0.75 -3.56 121.76 123.28 2wsb s ALA 36 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 2wsb s ALA 36 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2wsb s ALA 36 CO 0.00 -0.07 0.64 1.03 0.00 0.00 0.00 175.76 177.36 2wsb s ARG 37 N -3.54 3.54 -0.01 0.00 0.52 0.10 -4.36 118.95 115.20 2wsb s ARG 37 Ca 0.61 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.79 2wsb s ARG 37 Cb -0.10 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 2wsb s ARG 37 CO 0.21 0.03 -0.12 -0.51 0.02 0.00 0.00 175.30 174.93 2wsb s LEU 38 N -4.33 2.02 -0.36 2.53 1.43 0.31 -0.90 118.68 119.38 2wsb s LEU 38 Ca 0.43 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 2wsb s LEU 38 Cb -0.10 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.55 2wsb s LEU 38 CO 0.38 0.15 0.15 -0.63 0.23 0.00 0.00 176.35 176.63 2wsb s ILE 39 N -0.28 3.99 -0.16 -0.59 -1.09 0.03 -0.03 121.20 123.07 2wsb s ILE 39 Ca 0.05 -1.16 -0.22 0.00 -2.23 0.00 0.00 60.65 57.09 2wsb s ILE 39 Cb -0.05 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2wsb s ILE 39 CO -0.00 -0.26 0.66 -0.76 -1.23 0.00 0.00 174.94 173.34 2wsb s LEU 40 N 1.43 4.20 -0.09 2.97 1.43 -0.31 -1.19 118.68 127.12 2wsb s LEU 40 Ca 0.00 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 2wsb s LEU 40 Cb -0.20 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.07 2wsb s LEU 40 CO 0.03 -0.23 -0.16 -0.63 0.23 0.00 0.00 176.35 175.59 2wsb s ILE 41 N 1.59 1.46 0.00 -0.59 1.01 -0.33 -0.27 121.20 124.07 2wsb s ILE 41 Ca 0.31 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 2wsb s ILE 41 Cb -0.16 -1.31 0.09 0.00 0.01 0.00 0.00 42.46 41.09 2wsb s ILE 41 CO 0.12 0.43 0.76 -0.62 0.00 0.00 0.00 174.94 175.63 2wsb s ASP 42 N 0.68 -0.52 0.13 3.58 -1.08 -1.05 -1.00 116.67 117.40 2wsb s ASP 42 Ca -0.13 0.31 0.25 0.00 -0.52 0.00 0.00 52.55 52.45 2wsb s ASP 42 Cb -0.16 0.48 0.94 0.00 -1.46 0.00 0.00 42.92 42.72 2wsb s ASP 42 CO 0.04 -0.67 1.76 -2.11 0.52 0.00 0.00 175.17 174.71 2wsb n ARG 43 N 0.27 0.14 -3.51 4.34 1.85 -0.96 -1.34 116.66 117.45 2wsb n ARG 43 Ca -0.15 0.20 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 2wsb n ARG 43 Cb 0.60 -1.69 -0.09 0.00 -1.05 0.00 0.00 32.46 30.23 2wsb n ARG 43 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2wsb s GLU 44 N -3.10 2.84 0.14 2.89 0.41 -1.26 -4.71 118.70 115.91 2wsb s GLU 44 Ca 0.10 -1.26 -0.15 0.00 -0.41 0.00 0.00 54.97 53.24 2wsb s GLU 44 Cb 0.13 -3.92 0.01 0.00 -1.78 0.00 0.00 34.13 28.57 2wsb s GLU 44 CO 0.49 -0.89 1.71 0.00 -0.49 0.00 0.00 175.26 176.08 2wsb h ALA 45 N 8.57 0.55 0.00 5.21 0.00 -1.99 -1.82 119.26 129.78 2wsb h ALA 45 Ca -0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 45 Cb 1.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2wsb h ALA 45 CO 0.77 0.13 -0.32 0.00 0.00 0.00 0.00 179.25 179.82 2wsb h ALA 46 N 1.04 1.21 -0.13 0.00 0.00 -1.99 -0.73 119.26 118.65 2wsb h ALA 46 Ca 0.15 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2wsb h ALA 46 Cb 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wsb h ALA 46 CO -0.02 0.41 -0.68 0.00 0.00 0.00 0.00 179.25 178.96 2wsb h ALA 47 N 1.68 0.57 -0.35 0.00 0.00 -1.79 -2.30 119.26 117.06 2wsb h ALA 47 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2wsb h ALA 47 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2wsb h ALA 47 CO 0.04 0.72 -0.01 -0.07 0.00 0.00 0.00 179.25 179.93 2wsb h LEU 48 N 0.39 0.52 -0.95 0.00 3.38 -0.88 -0.55 115.31 117.21 2wsb h LEU 48 Ca -0.02 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2wsb h LEU 48 Cb 1.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2wsb h LEU 48 CO 0.13 0.60 -0.16 0.44 0.09 0.00 0.00 178.44 179.54 2wsb h ASP 49 N 0.53 0.58 -0.12 -0.43 3.32 -0.93 0.60 116.42 119.96 2wsb h ASP 49 Ca 0.11 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2wsb h ASP 49 Cb 0.36 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2wsb h ASP 49 CO 0.01 0.75 -0.04 0.03 -1.72 0.00 0.00 179.24 178.28 2wsb h ARG 50 N 0.53 0.24 -0.79 3.56 3.08 -1.11 -3.15 114.38 116.74 2wsb h ARG 50 Ca 0.09 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.11 2wsb h ARG 50 Cb 0.58 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 2wsb h ARG 50 CO 0.04 0.55 0.47 0.00 -1.07 0.00 0.00 179.97 179.96 2wsb h ALA 51 N 0.68 1.09 0.00 0.04 0.00 -0.84 -1.97 119.26 118.27 2wsb h ALA 51 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wsb h ALA 51 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wsb h ALA 51 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2wsb h ALA 52 N 1.40 1.00 0.00 0.00 0.00 -0.88 -1.51 119.26 119.27 2wsb h ALA 52 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2wsb h ALA 52 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wsb h ALA 52 CO -0.19 0.00 -0.46 1.96 0.00 0.00 0.00 179.25 180.56 2wsb h GLN 53 N 0.00 0.00 -0.02 0.00 4.20 -1.31 -3.38 115.11 114.60 2wsb h GLN 53 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wsb h GLN 53 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2wsb h GLN 53 CO 0.00 0.02 -0.15 0.39 -0.67 0.00 0.00 178.83 178.42 2wsb n GLU 54 N -2.93 1.52 -0.88 1.46 -0.58 -0.57 -4.59 120.64 114.07 2wsb n GLU 54 Ca 0.02 -1.07 -0.04 0.00 -0.42 0.00 0.00 57.16 55.65 2wsb n GLU 54 Cb 0.55 -1.48 0.18 0.00 -0.57 0.00 0.00 31.44 30.13 2wsb n GLU 54 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wsb n LEU 55 N 0.20 3.80 0.00 -4.62 4.77 -1.22 -4.99 117.00 114.95 2wsb n LEU 55 Ca 0.14 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.17 2wsb n LEU 55 Cb 0.43 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2wsb n LEU 55 CO 0.21 1.42 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 2wsb n GLY 56 N -1.08 2.58 1.57 -0.72 0.00 -1.26 -2.44 105.19 103.84 2wsb n GLY 56 Ca 0.30 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 8.04 3.89 0.62 4.61 0.00 -1.26 -4.60 120.51 131.81 2wsb n ALA 57 Ca 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 53.44 52.05 2wsb n ALA 57 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2wsb n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsb n ALA 58 N -0.05 3.72 -2.64 0.00 0.00 -1.02 -4.87 120.51 115.65 2wsb n ALA 58 Ca 0.27 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2wsb n ALA 58 Cb 1.04 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2wsb n ALA 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wsb s VAL 59 N -3.18 4.65 -0.08 0.00 1.01 -1.26 -0.53 120.40 121.00 2wsb s VAL 59 Ca 0.03 1.66 0.12 0.00 0.00 0.00 0.00 61.98 63.80 2wsb s VAL 59 Cb 0.15 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 2wsb s VAL 59 CO 0.84 -0.32 0.52 0.00 0.00 0.00 0.00 175.10 176.14 2wsb n ALA 60 N 6.50 1.45 -3.55 5.51 0.00 0.96 -4.87 120.51 126.51 2wsb n ALA 60 Ca 0.09 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.51 2wsb n ALA 60 Cb 0.47 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 2wsb n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsb s ALA 61 N -2.57 -1.80 -0.06 0.00 0.00 -1.04 -5.01 121.76 111.28 2wsb s ALA 61 Ca -0.07 1.52 0.03 0.00 0.00 0.00 0.00 51.96 53.44 2wsb s ALA 61 Cb 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2wsb s ALA 61 CO 0.82 -0.35 -0.14 -0.98 0.00 0.00 0.00 175.76 175.11 2wsb s ARG 62 N -0.80 2.63 -0.16 0.00 1.70 -1.26 -1.17 118.95 119.89 2wsb s ARG 62 Ca -0.07 -0.70 -0.02 0.00 -0.47 0.00 0.00 55.73 54.47 2wsb s ARG 62 Cb -0.01 -2.41 0.05 0.00 -0.57 0.00 0.00 34.95 32.01 2wsb s ARG 62 CO 0.07 0.56 0.02 0.42 -1.08 0.00 0.00 175.30 175.29 2wsb s ILE 63 N -0.58 0.48 -0.27 4.99 1.01 0.63 -4.95 121.20 122.51 2wsb s ILE 63 Ca 0.08 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 2wsb s ILE 63 Cb -0.11 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2wsb s ILE 63 CO 0.01 -0.06 1.10 -0.69 0.00 0.00 0.00 174.94 175.31 2wsb s VAL 64 N 1.90 4.51 -0.27 2.92 1.01 -1.26 -2.54 120.40 126.66 2wsb s VAL 64 Ca 0.01 1.77 -0.25 0.00 0.00 0.00 0.00 61.98 63.51 2wsb s VAL 64 Cb -0.15 -4.32 0.09 0.00 0.00 0.00 0.00 36.38 32.00 2wsb s VAL 64 CO -0.07 -0.35 0.82 0.00 0.00 0.00 0.00 175.10 175.50 2wsb s ALA 65 N 3.55 -1.84 -0.26 5.51 0.00 -0.45 -4.96 121.76 123.32 2wsb s ALA 65 Ca 0.47 1.96 -0.16 0.00 0.00 0.00 0.00 51.96 54.22 2wsb s ALA 65 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2wsb s ALA 65 CO 0.13 -0.31 0.42 0.34 0.00 0.00 0.00 175.76 176.34 2wsb s ASP 66 N 0.27 6.33 0.66 0.00 -1.08 -1.26 -2.26 116.67 119.33 2wsb s ASP 66 Ca 0.01 0.39 0.41 0.00 -0.52 0.00 0.00 52.55 52.84 2wsb s ASP 66 Cb -0.05 -2.23 2.26 0.00 -1.46 0.00 0.00 42.92 41.44 2wsb s ASP 66 CO -0.01 -0.20 2.27 -0.37 0.52 0.00 0.00 175.17 177.38 2wsb h VAL 67 N 5.35 0.00 0.00 1.11 -1.51 -1.96 0.12 116.25 119.37 2wsb h VAL 67 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2wsb h VAL 67 Cb 1.16 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2wsb h VAL 67 CO 0.67 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.36 2wsb n THR 68 N -3.02 0.22 -3.27 7.19 -2.24 -1.26 -4.18 114.28 107.71 2wsb n THR 68 Ca -0.03 0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.36 2wsb n THR 68 Cb 0.13 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.89 6.18 0.19 3.42 -1.08 0.43 -4.91 116.67 118.01 2wsb s ASP 69 Ca 0.16 -1.35 -0.13 0.00 -0.52 0.00 0.00 52.55 50.71 2wsb s ASP 69 Cb 0.17 -2.23 0.11 0.00 -1.46 0.00 0.00 42.92 39.51 2wsb s ASP 69 CO 0.45 -0.82 1.84 0.00 0.52 0.00 0.00 175.17 177.15 2wsb h ALA 70 N 8.91 0.75 -0.20 3.66 0.00 -1.85 -1.31 119.26 129.22 2wsb h ALA 70 Ca -0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2wsb h ALA 70 Cb 1.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2wsb h ALA 70 CO 0.97 0.12 -0.16 0.93 0.00 0.00 0.00 179.25 181.11 2wsb h GLU 71 N 0.74 0.33 -0.20 0.00 5.08 -1.96 -0.87 114.58 117.71 2wsb h GLU 71 Ca 0.23 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2wsb h GLU 71 Cb -0.02 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2wsb h GLU 71 CO -0.08 0.50 -0.34 0.00 -1.00 0.00 0.00 179.01 178.09 2wsb h ALA 72 N 1.53 1.05 -0.20 3.43 0.00 -1.67 0.21 119.26 123.61 2wsb h ALA 72 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2wsb h ALA 72 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wsb h ALA 72 CO 0.03 0.59 -0.01 0.52 0.00 0.00 0.00 179.25 180.38 2wsb h MET 73 N 0.35 0.35 -0.34 0.00 2.86 -0.75 0.56 114.93 117.97 2wsb h MET 73 Ca 0.04 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2wsb h MET 73 Cb 0.77 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2wsb h MET 73 CO 0.06 0.56 -0.01 1.15 1.06 0.00 0.00 176.91 179.73 2wsb h THR 74 N 0.11 1.20 -0.54 2.22 2.02 -0.85 -0.63 112.91 116.44 2wsb h THR 74 Ca 0.06 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 2wsb h THR 74 Cb 0.41 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2wsb h THR 74 CO 0.01 0.28 0.11 0.00 0.37 0.00 0.00 175.52 176.29 2wsb h ALA 75 N 1.49 0.71 -0.52 6.16 0.00 -0.47 -1.98 119.26 124.66 2wsb h ALA 75 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wsb h ALA 75 Cb 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wsb h ALA 75 CO 0.01 0.43 0.34 0.00 0.00 0.00 0.00 179.25 180.04 2wsb h ALA 76 N 1.00 0.65 -0.68 0.00 0.00 -0.24 0.13 119.26 120.13 2wsb h ALA 76 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wsb h ALA 76 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2wsb h ALA 76 CO 0.01 0.10 0.34 0.00 0.00 0.00 0.00 179.25 179.69 2wsb h ALA 77 N 1.19 0.87 -0.47 0.00 0.00 -0.87 0.83 119.26 120.81 2wsb h ALA 77 Ca 0.19 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2wsb h ALA 77 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2wsb h ALA 77 CO -0.04 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 2wsb h ALA 78 N 1.16 0.95 -0.59 0.00 0.00 -1.01 0.32 119.26 120.09 2wsb h ALA 78 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wsb h ALA 78 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wsb h ALA 78 CO -0.03 0.62 0.18 1.49 0.00 0.00 0.00 179.25 181.50 2wsb h GLU 79 N 0.76 0.93 -0.14 0.00 4.81 -0.32 -1.37 114.58 119.26 2wsb h GLU 79 Ca 0.13 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2wsb h GLU 79 Cb 0.59 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2wsb h GLU 79 CO 0.04 0.84 0.04 0.00 -0.73 0.00 0.00 179.01 179.19 2wsb h ALA 80 N 1.05 0.18 0.00 2.92 0.00 -0.63 -2.69 119.26 120.09 2wsb h ALA 80 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wsb h ALA 80 Cb 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wsb h ALA 80 CO -0.00 -0.19 -0.12 0.93 0.00 0.00 0.00 179.25 179.87 2wsb h GLU 81 N 0.03 0.00 0.00 0.00 4.39 -0.74 0.06 114.58 118.32 2wsb h GLU 81 Ca 0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2wsb h GLU 81 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2wsb h GLU 81 CO -0.00 0.12 -0.31 0.00 -1.16 0.00 0.00 179.01 177.66 2wsb h ALA 82 N 1.88 1.01 0.00 3.43 0.00 -0.91 -3.14 119.26 121.52 2wsb h ALA 82 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wsb h ALA 82 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wsb h ALA 82 CO 0.02 0.39 -0.00 0.28 0.00 0.00 0.00 179.25 179.93 2wsb h VAL 83 N 0.00 1.46 -2.22 0.00 2.07 -0.98 -3.50 116.25 113.08 2wsb h VAL 83 Ca -0.00 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.40 2wsb h VAL 83 Cb 0.84 2.75 -0.17 0.00 -1.52 0.00 0.00 31.29 33.18 2wsb h VAL 83 CO 0.04 0.49 0.20 0.00 0.02 0.00 0.00 177.57 178.32 2wsb s ALA 84 N -2.34 -1.74 0.15 1.67 0.00 -0.19 -5.12 121.76 114.19 2wsb s ALA 84 Ca -0.16 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 2wsb s ALA 84 Cb -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.20 2wsb s ALA 84 CO 0.57 -0.46 1.47 -1.25 0.00 0.00 0.00 175.76 176.08 2wsb s PRO 85 N -1.78 4.27 -0.34 0.00 0.04 -1.26 -3.81 135.00 132.13 2wsb s PRO 85 Ca -0.08 2.22 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2wsb s PRO 85 Cb -0.00 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 2wsb s PRO 85 CO 0.05 -0.50 0.47 0.08 0.04 0.00 0.00 177.00 177.13 2wsb s VAL 86 N 0.97 5.07 -1.16 -0.36 1.01 -1.26 -4.15 120.40 120.51 2wsb s VAL 86 Ca 0.66 0.29 0.15 0.00 0.00 0.00 0.00 61.98 63.08 2wsb s VAL 86 Cb -0.40 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2wsb s VAL 86 CO 0.32 -0.16 0.76 -1.54 0.00 0.00 0.00 175.10 174.48 2wsb n SER 87 N 5.62 1.27 -3.96 3.32 3.41 -0.32 -4.59 113.62 118.37 2wsb n SER 87 Ca -0.06 -1.13 -0.18 0.00 -0.26 0.00 0.00 58.87 57.24 2wsb n SER 87 Cb 0.49 0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 64.95 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 -2.02 0.52 -0.05 -1.33 1.01 -1.12 -1.29 121.20 116.91 2wsb s ILE 88 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2wsb s ILE 88 Cb 0.12 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2wsb s ILE 88 CO 0.46 0.17 -0.12 -0.22 0.00 0.00 0.00 174.94 175.23 2wsb s LEU 89 N 0.11 1.70 -0.21 2.97 2.96 -0.44 -0.74 118.68 125.04 2wsb s LEU 89 Ca -0.01 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2wsb s LEU 89 Cb -0.06 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.88 2wsb s LEU 89 CO -0.00 0.06 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.27 2wsb s VAL 90 N 0.47 2.67 -0.94 1.68 1.01 0.30 -0.54 120.40 125.05 2wsb s VAL 90 Ca -0.10 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 2wsb s VAL 90 Cb -0.13 -2.21 0.18 0.00 0.00 0.00 0.00 36.38 34.21 2wsb s VAL 90 CO 0.03 0.44 1.05 0.20 0.00 0.00 0.00 175.10 176.81 2wsb s ASN 91 N 1.36 6.78 -0.01 3.32 -0.87 -0.36 -0.95 114.94 124.21 2wsb s ASN 91 Ca 0.04 -2.48 0.17 0.00 -1.57 0.00 0.00 52.86 49.02 2wsb s ASN 91 Cb -0.14 -2.32 -0.21 0.00 -0.02 0.00 0.00 41.25 38.55 2wsb s ASN 91 CO -0.08 -0.81 0.59 -0.24 -2.57 0.00 0.00 177.10 173.99 2wsb n SER 92 N 5.32 0.88 -4.71 -1.22 2.88 -0.90 -1.84 113.62 114.04 2wsb n SER 92 Ca 0.22 -0.57 -0.43 0.00 -1.33 0.00 0.00 58.87 56.76 2wsb n SER 92 Cb 0.47 1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 65.19 2wsb n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsb n ALA 93 N -1.65 2.04 -3.61 -1.46 0.00 -1.06 -4.72 120.51 110.06 2wsb n ALA 93 Ca 0.01 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 2wsb n ALA 93 Cb 0.33 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 2wsb n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wsb s GLY 94 N 0.66 -0.34 0.10 0.00 0.00 -1.26 -4.71 107.32 101.77 2wsb s GLY 94 Ca 0.70 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.66 2wsb s GLY 94 CO 0.43 0.37 -0.03 -0.26 0.00 0.00 0.00 173.10 173.62 2wsb s ILE 95 N -2.45 0.44 -0.02 0.90 -4.36 -1.26 -5.04 121.20 109.42 2wsb s ILE 95 Ca 0.11 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2wsb s ILE 95 Cb 0.01 -1.74 0.02 0.00 1.25 0.00 0.00 42.46 42.01 2wsb s ILE 95 CO -0.04 -0.81 0.03 0.00 0.24 0.00 0.00 174.94 174.36 2wsb s ALA 96 N -3.79 0.06 -0.05 2.27 0.00 -1.26 -4.93 121.76 114.05 2wsb s ALA 96 Ca 0.14 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2wsb s ALA 96 Cb 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2wsb s ALA 96 CO -0.04 -0.09 -0.06 1.03 0.00 0.00 0.00 175.76 176.59 2wsb s ARG 97 N 0.87 1.04 0.15 0.00 0.52 -1.26 -5.12 118.95 115.15 2wsb s ARG 97 Ca -0.07 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2wsb s ARG 97 Cb -0.10 -1.00 -0.07 0.00 0.52 0.00 0.00 34.95 34.29 2wsb s ARG 97 CO -0.02 -0.08 1.12 -0.51 0.02 0.00 0.00 175.30 175.83 2wsb s LEU 98 N 0.95 4.46 -0.26 2.53 1.43 -1.26 -4.67 118.68 121.86 2wsb s LEU 98 Ca -0.10 2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 54.84 2wsb s LEU 98 Cb -0.14 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.54 2wsb s LEU 98 CO 0.00 -0.28 0.69 -1.38 0.23 0.00 0.00 176.35 175.61 2wsb s HIS 99 N 0.04 -0.77 0.20 0.29 -3.43 -0.46 -4.99 115.29 106.17 2wsb s HIS 99 Ca 0.51 1.86 -0.30 0.00 -0.80 0.00 0.00 55.06 56.34 2wsb s HIS 99 Cb -0.29 0.28 -0.08 0.00 -1.43 0.00 0.00 32.58 31.05 2wsb s HIS 99 CO 0.34 -0.37 0.99 -0.51 -2.00 0.00 0.00 174.74 173.19 2wsb s ASP 100 N 0.43 7.49 0.18 7.38 1.01 -1.26 -3.57 116.67 128.34 2wsb s ASP 100 Ca -0.01 1.98 -0.13 0.00 0.71 0.00 0.00 52.55 55.11 2wsb s ASP 100 Cb -0.05 -2.61 0.15 0.00 1.01 0.00 0.00 42.92 41.42 2wsb s ASP 100 CO -0.00 -0.00 1.77 0.00 0.21 0.00 0.00 175.17 177.14 2wsb h ALA 101 N 4.60 0.61 0.00 5.23 0.00 -1.99 -0.83 119.26 126.89 2wsb h ALA 101 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wsb h ALA 101 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wsb h ALA 101 CO 0.69 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 181.06 2wsb n LEU 102 N -4.95 0.65 -0.55 0.00 4.77 -1.26 -2.73 117.00 112.92 2wsb n LEU 102 Ca 0.05 0.68 0.06 0.00 -0.03 0.00 0.00 56.01 56.76 2wsb n LEU 102 Cb 0.16 -0.61 0.19 0.00 -2.33 0.00 0.00 43.42 40.84 2wsb n LEU 102 CO 0.27 -0.61 0.51 -0.62 -1.33 0.00 0.00 177.39 175.61 2wsb n GLU 103 N -2.23 1.64 -2.50 3.23 -0.58 -0.36 -5.03 120.64 114.81 2wsb n GLU 103 Ca 0.02 -3.03 -0.42 0.00 -0.42 0.00 0.00 57.16 53.31 2wsb n GLU 103 Cb 0.20 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 2wsb n GLU 103 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2wsb s THR 104 N -3.10 4.18 -0.14 2.62 2.01 -0.91 -4.79 115.64 115.51 2wsb s THR 104 Ca 0.38 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.69 2wsb s THR 104 Cb 0.35 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2wsb s THR 104 CO -0.02 0.15 1.45 -0.62 -0.69 0.00 0.00 174.62 174.90 2wsb s ASP 105 N 0.87 6.77 0.38 3.53 -1.08 -1.26 -4.94 116.67 120.94 2wsb s ASP 105 Ca 0.56 1.87 0.16 0.00 -0.52 0.00 0.00 52.55 54.62 2wsb s ASP 105 Cb -0.28 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.71 2wsb s ASP 105 CO 0.30 -0.89 1.76 0.44 0.52 0.00 0.00 175.17 177.29 2wsb h ASP 106 N 9.03 0.50 0.09 -0.34 3.32 -2.01 0.32 116.42 127.34 2wsb h ASP 106 Ca -0.32 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 2wsb h ASP 106 Cb 1.14 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2wsb h ASP 106 CO 0.97 0.09 -0.24 0.00 -1.72 0.00 0.00 179.24 178.34 2wsb h ALA 107 N 1.65 1.33 -0.27 3.45 0.00 -1.99 -1.78 119.26 121.65 2wsb h ALA 107 Ca 0.61 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2wsb h ALA 107 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2wsb h ALA 107 CO -0.34 0.46 -0.20 1.15 0.00 0.00 0.00 179.25 180.31 2wsb h THR 108 N 0.23 1.31 -0.05 0.00 2.02 -0.76 0.38 112.91 116.03 2wsb h THR 108 Ca 0.04 -1.34 0.03 0.00 0.77 0.00 0.00 66.41 65.91 2wsb h THR 108 Cb 0.56 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2wsb h THR 108 CO 0.04 0.42 -0.16 -0.25 0.37 0.00 0.00 175.52 175.94 2wsb h TRP 109 N 0.33 -0.42 -0.30 3.16 2.91 -1.23 -1.76 115.95 118.64 2wsb h TRP 109 Ca 0.05 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.00 2wsb h TRP 109 Cb 0.74 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.57 2wsb h TRP 109 CO 0.07 -0.24 -0.21 0.00 -1.03 0.00 0.00 178.44 177.04 2wsb h ARG 110 N -0.24 0.56 -0.32 2.65 3.08 -1.27 -2.28 114.38 116.56 2wsb h ARG 110 Ca 0.07 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 2wsb h ARG 110 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2wsb h ARG 110 CO -0.19 0.73 -0.17 0.37 -1.07 0.00 0.00 179.97 179.63 2wsb h GLN 111 N 0.50 0.68 -0.64 0.04 5.75 -0.52 0.02 115.11 120.94 2wsb h GLN 111 Ca 0.08 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 2wsb h GLN 111 Cb 0.63 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2wsb h GLN 111 CO 0.04 0.90 0.30 0.28 -2.65 0.00 0.00 178.83 177.71 2wsb h VAL 112 N 0.44 1.22 -0.54 2.39 2.07 -1.21 -1.12 116.25 119.50 2wsb h VAL 112 Ca 0.07 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2wsb h VAL 112 Cb 0.71 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2wsb h VAL 112 CO 0.05 0.26 0.13 0.24 0.02 0.00 0.00 177.57 178.26 2wsb h MET 113 N 0.88 0.86 -0.39 1.57 2.86 -1.27 -1.36 114.93 118.08 2wsb h MET 113 Ca 0.22 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2wsb h MET 113 Cb 0.12 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2wsb h MET 113 CO -0.03 0.82 0.25 0.00 1.06 0.00 0.00 176.91 179.01 2wsb h ALA 114 N 1.01 0.50 -0.03 6.32 0.00 -0.55 0.06 119.26 126.56 2wsb h ALA 114 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2wsb h ALA 114 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wsb h ALA 114 CO 0.00 -0.07 -0.15 0.28 0.00 0.00 0.00 179.25 179.31 2wsb h VAL 115 N 0.51 1.48 0.00 0.00 2.07 -1.19 0.14 116.25 119.25 2wsb h VAL 115 Ca 0.15 -1.64 -0.16 0.00 0.82 0.00 0.00 66.70 65.87 2wsb h VAL 115 Cb -0.04 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2wsb h VAL 115 CO -0.05 0.45 -0.74 0.78 0.02 0.00 0.00 177.57 178.03 2wsb h ASN 116 N -0.42 0.00 0.00 0.57 4.21 -1.14 -3.26 115.58 115.54 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 0.81 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 2wsb h ASN 116 CO 0.03 0.74 -0.16 0.52 -1.29 0.00 0.00 177.43 177.28 2wsb n VAL 117 N -3.40 0.79 -0.28 2.81 0.31 -0.09 -4.41 118.33 114.06 2wsb n VAL 117 Ca 0.00 0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.54 2wsb n VAL 117 Cb 0.79 -1.53 0.06 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.16 0.92 0.27 4.52 3.32 -1.20 -1.07 116.42 123.03 2wsb h ASP 118 Ca 0.00 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 2wsb h ASP 118 Cb 0.16 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2wsb h ASP 118 CO 0.00 0.71 -0.41 1.23 -1.72 0.00 0.00 179.24 179.06 2wsb h GLY 119 N 1.04 0.20 1.27 2.75 0.00 -0.76 0.13 103.07 107.70 2wsb h GLY 119 Ca 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2wsb h GLY 119 CO -0.05 0.17 0.10 1.98 0.00 0.00 0.00 176.54 178.73 2wsb h MET 120 N 0.15 0.90 -0.34 4.80 1.85 -1.47 0.40 114.93 121.23 2wsb h MET 120 Ca 0.01 -0.21 -0.14 0.00 -0.61 0.00 0.00 59.70 58.75 2wsb h MET 120 Cb 0.79 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 2wsb h MET 120 CO 0.06 0.84 -0.34 0.35 -0.40 0.00 0.00 176.91 177.41 2wsb h PHE 121 N 0.86 1.00 -0.58 1.39 3.57 -0.13 -0.51 116.94 122.53 2wsb h PHE 121 Ca 0.18 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.33 2wsb h PHE 121 Cb 0.37 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2wsb h PHE 121 CO 0.02 1.09 0.18 -1.49 -2.23 0.00 0.00 178.31 175.89 2wsb h TRP 122 N 0.61 0.93 -0.48 0.41 -0.00 -0.51 0.69 115.95 117.61 2wsb h TRP 122 Ca 0.05 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.89 58.76 2wsb h TRP 122 Cb 0.93 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.80 2wsb h TRP 122 CO 0.07 0.78 -0.03 0.00 -0.00 0.00 0.00 178.44 179.25 2wsb h ALA 123 N 1.05 0.65 -0.54 1.49 0.00 -0.92 -0.97 119.26 120.02 2wsb h ALA 123 Ca 0.19 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2wsb h ALA 123 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wsb h ALA 123 CO -0.01 0.48 -0.09 0.77 0.00 0.00 0.00 179.25 180.41 2wsb h SER 124 N 0.72 1.01 -0.26 0.00 0.02 -0.58 -0.91 113.55 113.54 2wsb h SER 124 Ca 0.13 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2wsb h SER 124 Cb 0.55 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2wsb h SER 124 CO 0.03 1.11 0.15 -0.09 -1.14 0.00 0.00 176.83 176.89 2wsb h ARG 125 N 0.88 0.36 0.57 3.45 2.43 -0.89 0.36 114.38 121.55 2wsb h ARG 125 Ca 0.14 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2wsb h ARG 125 Cb 0.65 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2wsb h ARG 125 CO 0.04 0.31 -0.27 0.00 -1.51 0.00 0.00 179.97 178.54 2wsb h ALA 126 N 1.03 -0.77 0.01 2.80 0.00 -0.91 -2.26 119.26 119.17 2wsb h ALA 126 Ca 0.09 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2wsb h ALA 126 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wsb h ALA 126 CO -0.02 -0.91 -0.92 0.74 0.00 0.00 0.00 179.25 178.14 2wsb h PHE 127 N -0.81 0.43 0.00 0.00 0.04 -1.23 -3.25 116.94 112.12 2wsb h PHE 127 Ca -0.08 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 2wsb h PHE 127 Cb 0.60 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 2wsb h PHE 127 CO -0.03 1.06 -0.13 0.78 -0.60 0.00 0.00 178.31 179.40 2wsb h GLY 128 N 1.60 0.00 0.30 -1.45 0.00 -0.21 -3.27 103.07 100.04 2wsb h GLY 128 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2wsb h GLY 128 CO 0.15 0.00 -0.22 -0.09 0.00 0.00 0.00 176.54 176.38 2wsb h ARG 129 N 0.00 -0.26 0.00 4.80 2.43 -1.44 0.12 114.38 120.04 2wsb h ARG 129 Ca -0.00 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 2wsb h ARG 129 Cb 0.46 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2wsb h ARG 129 CO 0.02 -0.17 -0.68 0.00 -1.51 0.00 0.00 179.97 177.62 2wsb h ALA 130 N 0.73 0.74 -0.28 2.80 0.00 -1.78 -2.87 119.26 118.61 2wsb h ALA 130 Ca 0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2wsb h ALA 130 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wsb h ALA 130 CO -0.31 0.85 0.09 0.52 0.00 0.00 0.00 179.25 180.40 2wsb h MET 131 N 0.00 0.43 -0.65 0.00 2.86 -1.42 -1.31 114.93 114.83 2wsb h MET 131 Ca -0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2wsb h MET 131 Cb 1.31 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 2wsb h MET 131 CO 0.09 0.49 0.36 0.28 1.06 0.00 0.00 176.91 179.20 2wsb h VAL 132 N 0.29 1.19 -0.45 -2.22 2.07 -0.78 0.70 116.25 117.06 2wsb h VAL 132 Ca 0.09 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2wsb h VAL 132 Cb 0.24 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2wsb h VAL 132 CO -0.00 0.21 0.07 0.00 0.02 0.00 0.00 177.57 177.87 2wsb h ALA 133 N 1.50 1.27 0.00 1.67 0.00 -1.30 -1.89 119.26 120.51 2wsb h ALA 133 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wsb h ALA 133 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wsb h ALA 133 CO -0.04 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.66 2wsb h ARG 134 N 0.67 0.00 -0.33 0.00 3.08 -0.57 -3.48 114.38 113.75 2wsb h ARG 134 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2wsb h ARG 134 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2wsb h ARG 134 CO 0.00 0.00 -0.08 0.41 -1.07 0.00 0.00 179.97 179.24 2wsb n GLY 135 N 1.11 0.43 3.50 0.04 0.00 0.18 -5.04 105.19 105.40 2wsb n GLY 135 Ca 0.04 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.15 -1.52 0.00 4.61 0.00 -0.84 -4.19 121.76 117.67 2wsb s ALA 136 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2wsb s ALA 136 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2wsb s ALA 136 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2wsb n GLY 137 N 2.20 0.75 3.17 0.00 0.00 -0.87 -4.55 105.19 105.88 2wsb n GLY 137 Ca -0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.82 -0.04 4.61 0.00 -0.42 -1.13 121.76 121.96 2wsb s ALA 138 Ca 0.00 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.29 2wsb s ALA 138 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2wsb s ALA 138 CO 0.00 -0.23 -0.24 0.42 0.00 0.00 0.00 175.76 175.71 2wsb s ILE 139 N 1.29 2.20 -0.15 0.00 1.01 0.63 -1.32 121.20 124.85 2wsb s ILE 139 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2wsb s ILE 139 Cb -0.09 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.61 2wsb s ILE 139 CO -0.10 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 2wsb s VAL 140 N -0.41 1.52 -0.08 2.92 1.01 0.30 -1.31 120.40 124.35 2wsb s VAL 140 Ca 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2wsb s VAL 140 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2wsb s VAL 140 CO 0.01 0.44 0.14 0.20 0.00 0.00 0.00 175.10 175.90 2wsb s ASN 141 N 1.51 6.31 -0.80 3.32 0.01 -0.12 -1.23 114.94 123.93 2wsb s ASN 141 Ca 0.05 0.41 -0.21 0.00 -0.71 0.00 0.00 52.86 52.39 2wsb s ASN 141 Cb -0.13 -2.01 0.09 0.00 0.41 0.00 0.00 41.25 39.61 2wsb s ASN 141 CO -0.10 0.36 1.09 -0.76 -1.51 0.00 0.00 177.10 176.18 2wsb s LEU 142 N -1.31 4.47 0.00 0.60 2.01 -0.76 -1.29 118.68 122.39 2wsb s LEU 142 Ca 0.19 -1.39 0.00 0.00 0.01 0.00 0.00 54.13 52.93 2wsb s LEU 142 Cb -0.12 -2.43 0.00 0.00 0.01 0.00 0.00 46.19 43.64 2wsb s LEU 142 CO 0.09 -1.33 0.00 0.61 1.01 0.00 0.00 176.35 176.72 2wsb n GLY 143 N 5.56 0.92 3.53 -3.19 0.00 0.58 -4.96 105.19 107.62 2wsb n GLY 143 Ca 0.10 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.35 0.61 1.61 0.15 -1.20 -4.41 113.70 109.12 2wsb s SER 144 Ca 0.00 0.10 0.31 0.00 0.70 0.00 0.00 55.95 57.06 2wsb s SER 144 Cb 0.00 0.35 1.74 0.00 -1.71 0.00 0.00 66.02 66.40 2wsb s SER 144 CO 0.00 -0.53 2.08 0.00 1.20 0.00 0.00 173.24 175.99 2wsb h MET 145 N 2.13 0.00 0.00 5.44 -0.00 -1.15 0.76 114.93 122.12 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 -3.52 0.00 -0.35 -0.10 7.64 -1.26 -0.62 113.62 115.41 2wsb n SER 146 Ca 0.01 0.13 0.13 0.00 1.01 0.00 0.00 58.87 60.16 2wsb n SER 146 Cb 0.34 -0.31 0.46 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.06 -0.34 0.53 0.23 0.00 0.26 -4.43 105.19 101.39 2wsb n GLY 147 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.27 0.03 -4.56 2.61 -1.04 -0.33 -4.25 114.28 106.46 2wsb n THR 148 Ca 0.15 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.90 2wsb n THR 148 Cb 0.35 -1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 67.75 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 -2.79 0.00 -5.12 12.58 -6.64 0.21 -5.15 119.36 112.46 2wsb n ILE 149 Ca -0.01 -2.01 -0.32 0.00 -1.77 0.00 0.00 62.75 58.64 2wsb n ILE 149 Cb 0.51 0.51 -0.16 0.00 -1.44 0.00 0.00 39.64 39.06 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 -2.64 2.36 0.94 7.28 1.01 -1.26 -4.19 120.40 123.89 2wsb s VAL 150 Ca 0.06 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2wsb s VAL 150 Cb 0.00 -1.91 0.15 0.00 0.00 0.00 0.00 36.38 34.63 2wsb s VAL 150 CO 0.04 0.56 1.09 0.20 0.00 0.00 0.00 175.10 176.99 2wsb s ASN 151 N 0.05 3.00 -0.04 3.32 0.01 -1.26 -5.07 114.94 114.95 2wsb s ASN 151 Ca -0.09 1.66 -0.18 0.00 -0.71 0.00 0.00 52.86 53.54 2wsb s ASN 151 Cb -0.15 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.24 2wsb s ASN 151 CO 0.05 -2.97 0.40 0.00 -1.51 0.00 0.00 177.10 173.08 2wsb s ARG 152 N -4.79 0.74 0.04 -0.60 1.70 -1.26 -4.58 118.95 110.20 2wsb s ARG 152 Ca 0.65 -0.02 0.25 0.00 -0.47 0.00 0.00 55.73 56.14 2wsb s ARG 152 Cb -0.20 0.33 0.47 0.00 -0.57 0.00 0.00 34.95 34.99 2wsb s ARG 152 CO 0.58 -0.20 1.40 -0.35 -1.08 0.00 0.00 175.30 175.65 2wsb n PRO 153 N 1.35 0.11 -2.01 3.89 -0.04 -1.26 -4.56 135.00 132.48 2wsb n PRO 153 Ca -0.20 0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 62.95 2wsb n PRO 153 Cb 0.56 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.06 3.10 -0.08 0.54 0.00 -1.26 -5.03 119.66 113.86 2wsb s GLN 154 Ca 0.09 1.46 0.00 0.00 -0.00 0.00 0.00 55.36 56.92 2wsb s GLN 154 Cb 0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 33.01 31.16 2wsb s GLN 154 CO 0.70 -1.03 -0.07 -0.06 0.00 0.00 0.00 175.29 174.84 2wsb s PHE 155 N -2.11 2.94 -0.43 9.60 2.99 -1.26 -4.79 117.98 124.92 2wsb s PHE 155 Ca 0.69 -0.02 0.03 0.00 0.00 0.00 0.00 56.93 57.63 2wsb s PHE 155 Cb -0.21 -1.74 0.26 0.00 0.00 0.00 0.00 43.02 41.33 2wsb s PHE 155 CO 0.34 0.29 1.03 0.00 -0.00 0.00 0.00 175.22 176.88 2wsb n ALA 156 N 2.37 -2.07 0.25 5.36 0.00 -1.23 -1.35 120.51 123.83 2wsb n ALA 156 Ca -0.18 -1.04 0.10 0.00 0.00 0.00 0.00 53.44 52.31 2wsb n ALA 156 Cb 0.53 -1.95 0.63 0.00 0.00 0.00 0.00 19.45 18.66 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 3.60 0.00 -0.02 0.00 4.64 -1.89 -0.65 113.55 119.23 2wsb h SER 157 Ca -0.18 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 2wsb h SER 157 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2wsb h SER 157 CO 0.15 0.16 -0.15 0.77 -0.87 0.00 0.00 176.83 176.88 2wsb h SER 158 N 0.00 0.33 -0.24 4.97 4.64 -1.92 -0.77 113.55 120.56 2wsb h SER 158 Ca -0.00 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 2wsb h SER 158 Cb 0.37 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2wsb h SER 158 CO 0.02 0.51 -0.21 0.22 -0.87 0.00 0.00 176.83 176.50 2wsb h TYR 159 N 0.32 0.66 -0.34 4.77 3.20 -1.44 0.82 116.97 124.96 2wsb h TYR 159 Ca 0.06 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 2wsb h TYR 159 Cb 0.46 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2wsb h TYR 159 CO 0.01 0.87 0.15 0.52 -1.64 0.00 0.00 178.16 178.07 2wsb h MET 160 N 0.26 0.49 -0.79 1.82 2.86 -1.28 -0.87 114.93 117.42 2wsb h MET 160 Ca 0.04 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2wsb h MET 160 Cb 0.75 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 2wsb h MET 160 CO 0.05 0.47 0.35 0.00 1.06 0.00 0.00 176.91 178.84 2wsb h ALA 161 N 0.99 1.03 -0.64 6.32 0.00 -1.08 -0.95 119.26 124.92 2wsb h ALA 161 Ca 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wsb h ALA 161 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2wsb h ALA 161 CO -0.01 0.63 0.23 0.66 0.00 0.00 0.00 179.25 180.75 2wsb h SER 162 N 1.14 0.89 1.01 0.00 4.64 -0.42 -1.70 113.55 119.10 2wsb h SER 162 Ca 0.27 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 2wsb h SER 162 Cb 0.17 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2wsb h SER 162 CO -0.03 0.81 -0.83 0.11 -0.87 0.00 0.00 176.83 176.02 2wsb h LYS 163 N 0.94 0.00 -0.90 4.77 1.79 -0.69 0.95 116.57 123.42 2wsb h LYS 163 Ca 0.21 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 2wsb h LYS 163 Cb 0.23 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 2wsb h LYS 163 CO -0.01 0.83 0.59 0.78 -1.08 0.00 0.00 179.45 180.56 2wsb h GLY 164 N 2.85 1.28 0.97 3.86 0.00 -0.90 -1.04 103.07 110.09 2wsb h GLY 164 Ca -0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 2wsb h GLY 164 CO 0.11 0.48 -0.22 0.00 0.00 0.00 0.00 176.54 176.91 2wsb h ALA 165 N 1.42 0.47 -0.55 3.60 0.00 -0.91 -2.40 119.26 120.90 2wsb h ALA 165 Ca 0.33 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2wsb h ALA 165 Cb -0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2wsb h ALA 165 CO -0.07 0.43 0.26 0.28 0.00 0.00 0.00 179.25 180.15 2wsb h VAL 166 N 0.50 0.92 -0.72 0.00 2.07 -0.34 0.13 116.25 118.81 2wsb h VAL 166 Ca 0.07 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2wsb h VAL 166 Cb 0.77 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2wsb h VAL 166 CO 0.06 0.09 0.27 0.45 0.02 0.00 0.00 177.57 178.46 2wsb h HIS 167 N 0.50 1.11 -0.06 1.57 3.86 -1.03 -0.71 115.15 120.39 2wsb h HIS 167 Ca 0.25 -0.09 -0.16 0.00 -1.16 0.00 0.00 60.37 59.21 2wsb h HIS 167 Cb 0.19 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2wsb h HIS 167 CO -0.11 0.86 -0.66 1.96 0.86 0.00 0.00 177.93 180.84 2wsb h GLN 168 N 1.04 0.26 -0.51 2.45 1.08 -1.08 -2.52 115.11 115.84 2wsb h GLN 168 Ca 0.24 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2wsb h GLN 168 Cb 0.23 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2wsb h GLN 168 CO -0.02 0.82 0.26 1.25 -0.95 0.00 0.00 178.83 180.20 2wsb h LEU 169 N 0.19 0.65 -0.12 1.46 5.85 -0.56 0.14 115.31 122.92 2wsb h LEU 169 Ca -0.01 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2wsb h LEU 169 Cb 1.19 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2wsb h LEU 169 CO 0.10 0.58 -0.20 0.74 -0.34 0.00 0.00 178.44 179.32 2wsb h THR 170 N 0.67 0.49 -0.68 1.05 2.02 -1.05 -1.01 112.91 114.40 2wsb h THR 170 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 2wsb h THR 170 Cb 0.09 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2wsb h THR 170 CO -0.02 0.00 0.19 0.03 0.37 0.00 0.00 175.52 176.08 2wsb h ARG 171 N -0.27 1.08 -0.21 6.66 3.08 -1.14 -0.50 114.38 123.09 2wsb h ARG 171 Ca 0.10 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2wsb h ARG 171 Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2wsb h ARG 171 CO -0.27 0.95 0.14 0.00 -1.07 0.00 0.00 179.97 179.71 2wsb h ALA 172 N 1.08 0.27 -0.33 0.04 0.00 -0.29 -0.55 119.26 119.48 2wsb h ALA 172 Ca 0.22 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2wsb h ALA 172 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2wsb h ALA 172 CO -0.00 -0.24 -0.27 -0.07 0.00 0.00 0.00 179.25 178.66 2wsb h LEU 173 N 0.28 0.69 -0.47 0.00 3.38 -1.11 -1.03 115.31 117.06 2wsb h LEU 173 Ca 0.08 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2wsb h LEU 173 Cb -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2wsb h LEU 173 CO -0.02 0.93 0.22 0.00 0.09 0.00 0.00 178.44 179.67 2wsb h ALA 174 N 1.12 0.58 -0.50 1.53 0.00 -0.71 -0.06 119.26 121.22 2wsb h ALA 174 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2wsb h ALA 174 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2wsb h ALA 174 CO 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.16 2wsb h ALA 175 N 1.26 0.68 0.00 0.00 0.00 -0.84 -1.43 119.26 118.94 2wsb h ALA 175 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2wsb h ALA 175 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wsb h ALA 175 CO -0.16 0.50 -0.53 1.49 0.00 0.00 0.00 179.25 180.55 2wsb h GLU 176 N 0.76 0.00 -0.02 0.00 4.81 -0.88 -3.22 114.58 116.03 2wsb h GLU 176 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2wsb h GLU 176 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2wsb h GLU 176 CO 0.03 0.53 -0.01 0.91 -0.73 0.00 0.00 179.01 179.74 2wsb n TRP 177 N -3.58 0.00 -0.35 0.92 8.01 -0.06 -4.58 117.44 117.80 2wsb n TRP 177 Ca -0.00 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.22 2wsb n TRP 177 Cb 0.61 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 30.10 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 2.73 1.37 0.00 6.99 0.00 -1.26 -1.26 119.26 127.83 2wsb h ALA 178 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wsb h ALA 178 Cb 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wsb h ALA 178 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2wsb n GLY 179 N -1.35 -0.99 0.26 0.00 0.00 -1.26 -2.35 105.19 99.50 2wsb n GLY 179 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.09 2wsb n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsb n ARG 180 N -1.22 2.76 -0.16 1.61 5.12 -0.51 -5.00 116.66 119.26 2wsb n ARG 180 Ca 0.13 -1.88 0.00 0.00 -1.93 0.00 0.00 57.85 54.17 2wsb n ARG 180 Cb 0.16 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 2wsb n ARG 180 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wsb n GLY 181 N -0.31 0.91 3.29 -0.13 0.00 -0.99 -3.20 105.19 104.76 2wsb n GLY 181 Ca 0.07 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.44 0.26 1.61 1.01 -1.09 -2.05 120.40 121.58 2wsb s VAL 182 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2wsb s VAL 182 Cb 0.00 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 2wsb s VAL 182 CO 0.00 0.21 0.77 -0.13 0.00 0.00 0.00 175.10 175.96 2wsb s ARG 183 N 1.43 4.27 -0.04 2.72 0.52 -0.29 -4.13 118.95 123.44 2wsb s ARG 183 Ca 0.03 0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 56.15 2wsb s ARG 183 Cb -0.16 -2.76 0.03 0.00 0.52 0.00 0.00 34.95 32.57 2wsb s ARG 183 CO -0.01 0.32 0.05 0.08 0.02 0.00 0.00 175.30 175.76 2wsb s VAL 184 N -1.64 -0.07 0.18 3.52 1.01 -1.26 -0.27 120.40 121.87 2wsb s VAL 184 Ca 0.47 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.84 2wsb s VAL 184 Cb -0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2wsb s VAL 184 CO 0.20 0.17 0.04 0.20 0.00 0.00 0.00 175.10 175.72 2wsb s ASN 185 N 2.01 0.96 0.05 3.32 0.01 -0.42 -0.17 114.94 120.70 2wsb s ASN 185 Ca 0.03 -1.24 0.05 0.00 -0.71 0.00 0.00 52.86 50.99 2wsb s ASN 185 Cb -0.12 0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.69 2wsb s ASN 185 CO -0.03 -0.65 -0.14 0.00 -1.51 0.00 0.00 177.10 174.77 2wsb s ALA 186 N -3.79 1.17 0.18 0.60 0.00 -0.18 -0.95 121.76 118.79 2wsb s ALA 186 Ca 0.28 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 2wsb s ALA 186 Cb 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 2wsb s ALA 186 CO 0.06 0.20 0.60 -0.51 0.00 0.00 0.00 175.76 176.11 2wsb s LEU 187 N -1.32 4.31 -0.66 0.00 1.43 -0.41 -0.94 118.68 121.09 2wsb s LEU 187 Ca 0.00 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.31 2wsb s LEU 187 Cb -0.08 -3.42 0.18 0.00 0.03 0.00 0.00 46.19 42.89 2wsb s LEU 187 CO 0.02 0.05 0.51 0.00 0.23 0.00 0.00 176.35 177.16 2wsb n ALA 188 N 0.63 3.42 -1.58 4.21 0.00 0.28 -0.31 120.51 127.16 2wsb n ALA 188 Ca -0.04 -4.37 -0.33 0.00 0.00 0.00 0.00 53.44 48.70 2wsb n ALA 188 Cb 0.52 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.02 2wsb n ALA 188 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wsb s PRO 189 N -1.41 2.97 0.00 0.00 0.02 -1.26 -1.75 135.00 133.57 2wsb s PRO 189 Ca 0.28 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2wsb s PRO 189 Cb -0.01 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2wsb s PRO 189 CO -0.15 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 2wsb n GLY 190 N -0.42 -0.71 3.75 0.52 0.00 -0.38 -0.98 105.19 106.97 2wsb n GLY 190 Ca 0.10 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 3.04 -0.02 1.61 2.02 -1.26 -4.89 117.35 117.85 2wsb s TYR 191 Ca 0.00 1.15 0.06 0.00 -0.37 0.00 0.00 57.07 57.91 2wsb s TYR 191 Cb 0.00 -3.77 -0.01 0.00 -0.40 0.00 0.00 41.96 37.78 2wsb s TYR 191 CO 0.00 -2.39 -0.20 0.08 -1.57 0.00 0.00 175.55 171.47 2wsb s VAL 192 N -0.31 1.57 -1.33 0.71 1.01 -1.26 -0.66 120.40 120.13 2wsb s VAL 192 Ca 0.56 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 2wsb s VAL 192 Cb -0.41 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2wsb s VAL 192 CO 0.46 0.44 1.95 0.00 0.00 0.00 0.00 175.10 177.95 2wsb n ALA 193 N 2.62 4.22 -2.64 5.51 0.00 0.21 -4.68 120.51 125.75 2wsb n ALA 193 Ca -0.15 -3.79 -0.29 0.00 0.00 0.00 0.00 53.44 49.21 2wsb n ALA 193 Cb 0.53 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 2wsb n ALA 193 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wsb s THR 194 N 4.25 1.10 0.59 0.00 -4.23 -1.26 -4.61 115.64 111.49 2wsb s THR 194 Ca 0.52 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2wsb s THR 194 Cb 0.08 -2.39 0.36 0.00 1.34 0.00 0.00 72.50 71.89 2wsb s THR 194 CO 0.02 0.00 2.19 -0.08 -0.54 0.00 0.00 174.62 176.21 2wsb h GLU 195 N 1.61 0.00 -0.51 3.99 4.57 -1.98 -2.84 114.58 119.42 2wsb h GLU 195 Ca -0.41 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.74 2wsb h GLU 195 Cb 1.29 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 2wsb h GLU 195 CO 0.69 0.00 0.20 1.98 -1.18 0.00 0.00 179.01 180.70 2wsb h MET 196 N 0.00 0.73 -0.20 1.92 4.05 -1.97 -3.21 114.93 116.24 2wsb h MET 196 Ca 0.04 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2wsb h MET 196 Cb 0.22 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2wsb h MET 196 CO -0.00 0.60 0.00 0.25 0.23 0.00 0.00 176.91 177.99 2wsb n THR 197 N -4.35 0.31 -0.01 -0.77 -2.24 -1.08 -4.75 114.28 101.39 2wsb n THR 197 Ca 0.04 -0.66 -0.18 0.00 -2.27 0.00 0.00 64.05 60.98 2wsb n THR 197 Cb 0.16 1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 2wsb n THR 197 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wsb h LEU 198 N 3.64 0.95 -0.05 3.22 3.38 -1.53 0.06 115.31 124.97 2wsb h LEU 198 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2wsb h LEU 198 Cb 0.82 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2wsb h LEU 198 CO 0.00 1.45 0.03 0.50 0.09 0.00 0.00 178.44 180.51 2wsb h LYS 199 N 0.52 0.07 -0.30 1.13 3.64 -1.85 -2.45 116.57 117.33 2wsb h LYS 199 Ca -0.07 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2wsb h LYS 199 Cb 1.47 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 2wsb h LYS 199 CO 0.17 0.06 -0.15 0.52 -2.27 0.00 0.00 179.45 177.78 2wsb h MET 200 N 0.05 0.52 0.00 1.90 2.86 -1.84 -2.34 114.93 116.08 2wsb h MET 200 Ca 0.02 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2wsb h MET 200 Cb 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2wsb h MET 200 CO -0.00 0.65 0.16 0.00 1.06 0.00 0.00 176.91 178.78 2wsb h ARG 201 N 0.47 0.00 -0.43 1.72 3.08 -0.79 -2.74 114.38 115.69 2wsb h ARG 201 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wsb h ARG 201 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wsb h ARG 201 CO 0.03 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.32 2wsb n GLU 202 N -2.97 2.48 -3.78 0.04 1.02 -0.88 -4.73 120.64 111.82 2wsb n GLU 202 Ca -0.02 -2.25 -0.36 0.00 -0.02 0.00 0.00 57.16 54.51 2wsb n GLU 202 Cb 0.22 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.44 2.06 0.48 3.49 0.52 -1.03 -4.98 118.95 118.04 2wsb s ARG 203 Ca 0.40 -1.93 0.22 0.00 -0.52 0.00 0.00 55.73 53.90 2wsb s ARG 203 Cb 0.23 -3.59 1.25 0.00 0.52 0.00 0.00 34.95 33.36 2wsb s ARG 203 CO 0.31 -1.08 1.92 -1.35 0.02 0.00 0.00 175.30 175.12 2wsb h PRO 204 N 7.87 0.20 0.00 3.54 0.11 -1.85 0.56 132.00 142.43 2wsb h PRO 204 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2wsb h PRO 204 Cb 1.03 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2wsb h PRO 204 CO 0.69 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.66 2wsb h GLU 205 N 0.20 0.00 0.00 1.05 9.09 -1.93 -1.56 114.58 121.43 2wsb h GLU 205 Ca 0.37 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.58 2wsb h GLU 205 Cb 1.16 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.23 2wsb h GLU 205 CO -0.07 0.00 -1.55 1.28 0.05 0.00 0.00 179.01 178.71 2wsb n LEU 206 N -2.77 1.92 -0.11 3.06 4.77 0.03 -4.63 117.00 119.27 2wsb n LEU 206 Ca -0.01 0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 2wsb n LEU 206 Cb 0.14 -0.81 0.19 0.00 -2.33 0.00 0.00 43.42 40.62 2wsb n LEU 206 CO 0.19 0.08 0.95 0.15 -1.33 0.00 0.00 177.39 177.44 2wsb h PHE 207 N -1.00 0.82 -0.73 -1.77 3.57 -0.83 -1.44 116.94 115.56 2wsb h PHE 207 Ca -0.30 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 2wsb h PHE 207 Cb 1.21 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2wsb h PHE 207 CO -0.22 0.71 0.33 0.93 -2.23 0.00 0.00 178.31 177.83 2wsb h GLU 208 N 0.76 1.05 -0.40 1.11 5.08 -1.54 -1.06 114.58 119.57 2wsb h GLU 208 Ca 0.16 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2wsb h GLU 208 Cb 0.33 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2wsb h GLU 208 CO 0.00 0.83 -0.20 1.15 -1.00 0.00 0.00 179.01 179.79 2wsb h THR 209 N 1.04 1.28 -0.52 1.13 2.02 -1.49 -0.83 112.91 115.53 2wsb h THR 209 Ca 0.25 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2wsb h THR 209 Cb 0.14 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2wsb h THR 209 CO -0.03 0.45 0.34 -0.50 0.37 0.00 0.00 175.52 176.15 2wsb h TRP 210 N 0.66 0.67 -0.31 3.16 4.06 -0.80 0.58 115.95 123.97 2wsb h TRP 210 Ca 0.09 0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 2wsb h TRP 210 Cb 0.76 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 2wsb h TRP 210 CO 0.06 0.44 -0.23 -0.07 -3.56 0.00 0.00 178.44 175.08 2wsb h LEU 211 N 0.71 0.74 -1.85 -4.49 3.38 -1.15 -2.92 115.31 109.73 2wsb h LEU 211 Ca 0.19 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2wsb h LEU 211 Cb -0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2wsb h LEU 211 CO -0.04 1.02 -0.00 -0.78 0.09 0.00 0.00 178.44 178.73 2wsb h ASP 212 N 0.46 0.08 0.96 -0.43 3.58 -0.71 -1.93 116.42 118.42 2wsb h ASP 212 Ca 0.06 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2wsb h ASP 212 Cb 0.78 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2wsb h ASP 212 CO 0.06 0.10 0.00 0.23 -2.88 0.00 0.00 179.24 176.75 2wsb n MET 213 N -4.48 0.03 -3.70 0.28 2.81 0.16 -4.78 117.12 107.44 2wsb n MET 213 Ca -0.02 0.07 -0.38 0.00 -1.81 0.00 0.00 57.70 55.56 2wsb n MET 213 Cb 0.12 -1.54 -0.12 0.00 -0.71 0.00 0.00 33.22 30.98 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 -3.02 4.40 0.42 2.03 2.01 -0.72 -4.58 115.64 116.18 2wsb s THR 214 Ca 0.12 -0.42 0.12 0.00 0.31 0.00 0.00 61.69 61.82 2wsb s THR 214 Cb 0.17 -3.20 0.31 0.00 0.01 0.00 0.00 72.50 69.78 2wsb s THR 214 CO 0.49 0.13 1.99 -0.65 -0.69 0.00 0.00 174.62 175.89 2wsb h PRO 215 N 8.30 0.46 0.00 4.92 0.11 -1.76 0.12 132.00 144.15 2wsb h PRO 215 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2wsb h PRO 215 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2wsb h PRO 215 CO 0.60 0.31 0.00 -1.33 -0.21 0.00 0.00 178.00 177.37 2wsb n MET 216 N -4.47 0.07 -1.09 1.05 2.81 -0.57 -4.91 117.12 110.01 2wsb n MET 216 Ca 0.09 0.15 -0.03 0.00 -1.81 0.00 0.00 57.70 56.09 2wsb n MET 216 Cb 0.30 -1.60 -0.01 0.00 -0.71 0.00 0.00 33.22 31.19 2wsb n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wsb n GLY 217 N 0.95 0.63 3.31 3.03 0.00 0.42 -4.98 105.19 108.55 2wsb n GLY 217 Ca 0.05 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.92 1.04 0.72 1.61 1.70 -1.26 -4.94 118.95 115.90 2wsb s ARG 218 Ca 0.00 -0.67 -0.11 0.00 -0.47 0.00 0.00 55.73 54.48 2wsb s ARG 218 Cb 0.00 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 2wsb s ARG 218 CO 0.00 -0.40 1.07 0.00 -1.08 0.00 0.00 175.30 174.89 2wsb s GLY 220 N -3.84 2.25 0.36 0.00 0.00 0.16 -4.83 107.32 101.42 2wsb s GLY 220 Ca 0.59 0.32 -0.08 0.00 0.00 0.00 0.00 44.72 45.55 2wsb s GLY 220 CO 0.55 0.60 0.68 -0.54 0.00 0.00 0.00 173.10 174.39 2wsb s GLU 221 N -3.59 3.71 0.37 2.90 0.41 -1.26 -0.62 118.70 120.62 2wsb s GLU 221 Ca 0.61 0.26 0.10 0.00 -0.41 0.00 0.00 54.97 55.54 2wsb s GLU 221 Cb -0.10 -2.49 0.86 0.00 -1.78 0.00 0.00 34.13 30.62 2wsb s GLU 221 CO 0.22 0.06 1.88 -1.35 -0.49 0.00 0.00 175.26 175.58 2wsb h PRO 222 N 1.37 0.62 0.00 0.39 0.11 -1.95 -0.20 132.00 132.34 2wsb h PRO 222 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2wsb h PRO 222 Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wsb h PRO 222 CO 0.65 0.41 -0.10 0.66 -0.21 0.00 0.00 178.00 179.41 2wsb h SER 223 N 0.64 0.00 0.74 -2.05 4.64 -1.94 0.99 113.55 116.57 2wsb h SER 223 Ca 0.42 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 2wsb h SER 223 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 2wsb h SER 223 CO -0.18 0.10 -0.58 -0.33 -0.87 0.00 0.00 176.83 174.96 2wsb h GLU 224 N 0.00 0.00 0.13 4.77 5.08 -1.41 -0.61 114.58 122.54 2wsb h GLU 224 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2wsb h GLU 224 Cb 0.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.45 2wsb h GLU 224 CO 0.01 0.58 -0.90 0.82 -1.00 0.00 0.00 179.01 178.53 2wsb h ILE 225 N 0.00 1.45 -0.67 3.13 1.08 -1.25 -3.24 117.51 118.01 2wsb h ILE 225 Ca -0.01 -2.46 -0.01 0.00 -0.39 0.00 0.00 64.86 61.99 2wsb h ILE 225 Cb 1.11 3.02 -0.03 0.00 -3.07 0.00 0.00 36.82 37.85 2wsb h ILE 225 CO 0.08 0.71 0.36 0.00 -0.69 0.00 0.00 178.15 178.60 2wsb h ALA 226 N 0.16 1.38 -0.48 1.87 0.00 -0.74 -0.49 119.26 120.95 2wsb h ALA 226 Ca -0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2wsb h ALA 226 Cb 1.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2wsb h ALA 226 CO 0.17 0.51 0.06 0.00 0.00 0.00 0.00 179.25 179.99 2wsb h ALA 227 N 1.47 1.20 -0.31 0.00 0.00 -1.20 -0.29 119.26 120.12 2wsb h ALA 227 Ca 0.24 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2wsb h ALA 227 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2wsb h ALA 227 CO -0.04 0.54 -0.40 0.00 0.00 0.00 0.00 179.25 179.35 2wsb h ALA 228 N 1.34 0.71 -0.71 0.00 0.00 -1.44 -1.13 119.26 118.03 2wsb h ALA 228 Ca 0.15 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2wsb h ALA 228 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2wsb h ALA 228 CO 0.01 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.21 2wsb h ALA 229 N 0.93 1.17 -0.38 0.00 0.00 -0.66 -1.86 119.26 118.47 2wsb h ALA 229 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2wsb h ALA 229 Cb 0.95 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2wsb h ALA 229 CO 0.09 0.60 0.12 1.25 0.00 0.00 0.00 179.25 181.31 2wsb h LEU 230 N 1.03 0.55 -0.18 0.00 5.85 -0.89 0.07 115.31 121.75 2wsb h LEU 230 Ca 0.24 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2wsb h LEU 230 Cb 0.18 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2wsb h LEU 230 CO -0.02 0.61 -0.10 0.15 -0.34 0.00 0.00 178.44 178.75 2wsb h PHE 231 N 0.47 -0.23 -0.22 1.25 3.57 -0.94 -1.95 116.94 118.89 2wsb h PHE 231 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2wsb h PHE 231 Cb 0.26 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2wsb h PHE 231 CO 0.01 -0.15 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.81 2wsb h LEU 232 N -0.08 0.31 -0.05 0.59 3.38 -0.94 -2.41 115.31 116.12 2wsb h LEU 232 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wsb h LEU 232 Cb 0.23 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wsb h LEU 232 CO -0.23 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2wsb h ALA 233 N 1.62 1.00 -1.79 1.53 0.00 -0.67 -3.45 119.26 117.51 2wsb h ALA 233 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.54 2wsb h ALA 233 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.15 2wsb h ALA 233 CO 0.01 0.00 -0.12 -1.54 0.00 0.00 0.00 179.25 177.61 2wsb s SER 234 N -4.95 5.50 0.17 0.00 1.04 -0.76 -4.89 113.70 109.81 2wsb s SER 234 Ca 0.09 -0.07 0.14 0.00 0.48 0.00 0.00 55.95 56.60 2wsb s SER 234 Cb 0.10 -0.96 0.70 0.00 0.10 0.00 0.00 66.02 65.97 2wsb s SER 234 CO 0.61 -0.94 1.44 -2.65 0.98 0.00 0.00 173.24 172.68 2wsb n PRO 235 N -2.14 0.09 0.25 4.02 -0.02 -1.21 -1.65 135.00 134.33 2wsb n PRO 235 Ca 0.06 0.51 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2wsb n PRO 235 Cb 0.59 -1.74 0.63 0.00 -0.02 0.00 0.00 33.50 32.95 2wsb n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsb h ALA 236 N 2.11 1.56 -0.85 3.55 0.00 -1.63 -2.00 119.26 122.00 2wsb h ALA 236 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 54.91 54.35 2wsb h ALA 236 Cb 0.09 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.60 2wsb h ALA 236 CO 0.00 0.17 0.55 0.00 0.00 0.00 0.00 179.25 179.97 2wsb n ALA 237 N -2.41 5.13 0.29 0.00 0.00 -0.66 -4.68 120.51 118.17 2wsb n ALA 237 Ca -0.02 -2.47 0.16 0.00 0.00 0.00 0.00 53.44 51.11 2wsb n ALA 237 Cb 0.22 -1.38 0.78 0.00 0.00 0.00 0.00 19.45 19.07 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 0.94 0.00 -0.39 0.00 4.64 -1.53 -0.39 113.55 116.83 2wsb h SER 238 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2wsb h SER 238 Cb 2.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.68 2wsb h SER 238 CO 0.94 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 2wsb n TYR 239 N -2.67 1.03 -3.73 4.77 9.36 -1.26 -4.92 117.16 119.75 2wsb n TYR 239 Ca -0.01 -0.71 -0.37 0.00 3.32 0.00 0.00 57.90 60.12 2wsb n TYR 239 Cb 0.14 -0.25 -0.12 0.00 -0.63 0.00 0.00 39.34 38.48 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 -2.16 4.19 -0.09 2.97 1.01 -0.16 -5.07 120.40 121.11 2wsb s VAL 240 Ca 0.40 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 2wsb s VAL 240 Cb 0.29 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.58 2wsb s VAL 240 CO 0.14 0.12 0.34 0.28 0.00 0.00 0.00 175.10 175.98 2wsb s THR 241 N 1.55 0.02 -0.45 3.92 -1.32 -1.26 -4.69 115.64 113.41 2wsb s THR 241 Ca 0.04 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2wsb s THR 241 Cb -0.17 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 2wsb s THR 241 CO 0.04 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 2wsb n GLY 242 N 2.26 0.63 3.82 6.08 0.00 0.76 -4.96 105.19 113.78 2wsb n GLY 242 Ca -0.16 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.86 3.38 -0.37 4.61 0.00 -1.26 -4.75 121.76 121.51 2wsb s ALA 243 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 2wsb s ALA 243 Cb 0.00 -2.85 0.07 0.00 0.00 0.00 0.00 23.12 20.34 2wsb s ALA 243 CO 0.00 0.31 0.15 0.42 0.00 0.00 0.00 175.76 176.64 2wsb s ILE 244 N -1.60 3.57 -0.34 0.00 -1.09 -1.26 -1.02 121.20 119.46 2wsb s ILE 244 Ca 0.45 -1.53 -0.16 0.00 -2.23 0.00 0.00 60.65 57.18 2wsb s ILE 244 Cb -0.16 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 2wsb s ILE 244 CO 0.21 -0.40 0.43 -0.22 -1.23 0.00 0.00 174.94 173.73 2wsb s LEU 245 N 1.30 4.35 0.08 2.97 2.96 -0.12 -4.89 118.68 125.33 2wsb s LEU 245 Ca 0.02 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.54 2wsb s LEU 245 Cb -0.21 -2.45 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 2wsb s LEU 245 CO -0.00 -0.38 1.29 0.00 -1.32 0.00 0.00 176.35 175.94 2wsb s ALA 246 N 2.18 3.49 -0.49 5.97 0.00 -1.26 -0.55 121.76 131.10 2wsb s ALA 246 Ca 0.15 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.13 2wsb s ALA 246 Cb -0.16 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.67 2wsb s ALA 246 CO 0.12 -0.55 0.48 0.28 0.00 0.00 0.00 175.76 176.09 2wsb n VAL 247 N 4.00 -0.07 -1.51 0.00 0.31 -0.72 -4.91 118.33 115.43 2wsb n VAL 247 Ca 0.10 -4.10 0.00 0.00 -0.01 0.00 0.00 64.34 60.34 2wsb n VAL 247 Cb 0.44 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2wsb n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wsb n ASP 248 N 1.98 0.11 -0.74 4.52 5.68 -1.26 -1.25 116.55 125.59 2wsb n ASP 248 Ca 0.26 -1.61 -0.10 0.00 -0.50 0.00 0.00 54.79 52.84 2wsb n ASP 248 Cb 0.46 -0.12 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.05 1.03 1.15 6.12 0.00 -1.26 -1.32 105.19 110.85 2wsb n GLY 249 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.64 0.75 0.23 -0.02 0.00 -1.26 -1.51 105.19 102.74 2wsb n GLY 250 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.35 -0.01 1.61 3.20 -1.45 0.77 116.97 121.44 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 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2wsb h TYR 251 CO 0.00 0.08 0.00 0.25 -1.64 0.00 0.00 178.16 176.85 2wsb n THR 252 N -5.02 0.01 0.12 1.81 -2.24 -1.26 -3.31 114.28 104.39 2wsb n THR 252 Ca 0.08 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.63 2wsb n THR 252 Cb 0.27 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.10 1.34 -0.00 2.28 2.07 -1.24 -3.52 116.25 117.28 2wsb h VAL 253 Ca 0.00 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.80 2wsb h VAL 253 Cb 0.02 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2wsb h VAL 253 CO 0.00 0.81 0.00 0.79 0.02 0.00 0.00 177.57 179.19