#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 6.22 0.38 6.12 -1.08 -1.26 -4.93 116.67 122.12 2wsb s ASP 2 Ca 0.00 -0.77 0.28 0.00 -0.52 0.00 0.00 52.55 51.53 2wsb s ASP 2 Cb 0.00 -2.43 1.04 0.00 -1.46 0.00 0.00 42.92 40.07 2wsb s ASP 2 CO 0.00 -1.40 1.81 1.88 0.52 0.00 0.00 175.17 177.99 2wsb h TYR 3 N 9.51 0.00 -0.00 -5.34 0.05 -2.07 -2.64 116.97 116.49 2wsb h TYR 3 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2wsb h TYR 3 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2wsb h TYR 3 CO 0.96 0.00 -0.01 0.54 -1.05 0.00 0.00 178.16 178.60 2wsb n ARG 4 N -2.65 0.49 0.00 4.88 1.74 -1.26 -3.53 116.66 116.33 2wsb n ARG 4 Ca 0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wsb n ARG 4 Cb 0.32 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2wsb n ARG 4 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wsb n THR 5 N -1.24 0.00 0.28 0.55 -2.24 -1.08 -4.81 114.28 105.73 2wsb n THR 5 Ca 0.15 -0.42 0.17 0.00 -2.27 0.00 0.00 64.05 61.68 2wsb n THR 5 Cb 0.24 1.09 0.68 0.00 -2.10 0.00 0.00 70.33 70.24 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 0.09 0.00 -0.01 2.28 3.04 -1.52 -1.90 116.25 118.23 2wsb h VAL 6 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2wsb h VAL 6 Cb 0.04 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2wsb h VAL 6 CO 0.00 0.00 -0.22 0.49 -1.01 0.00 0.00 177.57 176.83 2wsb n PHE 7 N -3.09 0.00 -1.65 3.17 3.72 -1.26 -1.84 117.46 116.50 2wsb n PHE 7 Ca 0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 2wsb n PHE 7 Cb 0.31 -0.11 0.04 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.44 3.08 -0.23 -1.08 1.81 -0.72 -4.84 118.95 114.53 2wsb s ARG 8 Ca 0.26 0.89 0.11 0.00 -1.72 0.00 0.00 55.73 55.27 2wsb s ARG 8 Cb 0.19 -2.01 0.45 0.00 -0.45 0.00 0.00 34.95 33.13 2wsb s ARG 8 CO 0.50 -0.98 1.19 1.28 -0.68 0.00 0.00 175.30 176.61 2wsb n LEU 9 N -3.04 3.48 -4.73 2.53 4.77 0.22 -4.50 117.00 115.72 2wsb n LEU 9 Ca 0.07 -4.06 -0.42 0.00 -0.03 0.00 0.00 56.01 51.57 2wsb n LEU 9 Cb 0.54 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2wsb n LEU 9 CO 0.56 1.62 1.33 -1.81 -1.33 0.00 0.00 177.39 177.76 2wsb s ASP 10 N -3.36 6.38 0.00 -1.43 1.01 -1.21 -1.38 116.67 116.67 2wsb s ASP 10 Ca 0.43 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.58 2wsb s ASP 10 Cb 0.39 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.70 2wsb s ASP 10 CO -0.03 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.01 2wsb n GLY 11 N 3.31 2.48 3.83 0.21 0.00 -1.20 -4.99 105.19 108.83 2wsb n GLY 11 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.26 2.94 -0.15 4.61 0.00 -0.48 -4.93 121.76 121.50 2wsb s ALA 12 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.21 2wsb s ALA 12 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2wsb s ALA 12 CO 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 175.76 175.06 2wsb s ALA 14 N 0.84 2.55 -0.10 0.00 0.00 0.33 -1.18 121.76 124.20 2wsb s ALA 14 Ca -0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 2wsb s ALA 14 Cb -0.15 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 2wsb s ALA 14 CO -0.02 0.36 0.29 0.00 0.00 0.00 0.00 175.76 176.40 2wsb s ALA 15 N -0.02 3.70 -0.16 0.00 0.00 -0.19 -0.40 121.76 124.69 2wsb s ALA 15 Ca -0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 2wsb s ALA 15 Cb -0.14 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.73 2wsb s ALA 15 CO 0.04 0.35 -0.08 0.08 0.00 0.00 0.00 175.76 176.16 2wsb s VAL 16 N -0.42 1.23 0.33 0.00 1.01 -0.24 -0.71 120.40 121.59 2wsb s VAL 16 Ca 0.19 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2wsb s VAL 16 Cb -0.14 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 2wsb s VAL 16 CO 0.07 0.23 0.70 0.42 0.00 0.00 0.00 175.10 176.52 2wsb s THR 17 N 1.60 4.79 -1.20 3.92 -4.23 -0.31 -1.34 115.64 118.86 2wsb s THR 17 Ca 0.02 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2wsb s THR 17 Cb -0.14 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2wsb s THR 17 CO -0.08 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 2wsb n GLY 18 N -0.71 0.46 0.10 3.99 0.00 -0.06 -2.29 105.19 106.68 2wsb n GLY 18 Ca 0.02 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.47 1.71 0.43 4.61 0.00 -1.01 -3.20 120.51 122.58 2wsb n ALA 19 Ca -0.14 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2wsb n ALA 19 Cb 0.54 -1.37 0.46 0.00 0.00 0.00 0.00 19.45 19.08 2wsb n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wsb h GLY 20 N 2.47 0.00 -2.68 0.00 0.00 -1.86 -3.24 103.07 97.75 2wsb h GLY 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2wsb h GLY 20 CO 0.00 0.00 -0.23 -0.45 0.00 0.00 0.00 176.54 175.86 2wsb s SER 21 N -4.82 -0.04 1.17 0.19 0.15 -1.19 -4.74 113.70 104.42 2wsb s SER 21 Ca 0.06 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2wsb s SER 21 Cb 0.10 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2wsb s SER 21 CO 0.52 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2wsb n GLY 22 N -0.25 3.09 0.31 9.45 0.00 -1.26 -2.05 105.19 114.47 2wsb n GLY 22 Ca -0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.49 -0.61 2.04 -1.92 -1.81 117.51 115.94 2wsb h ILE 23 Ca 0.00 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2wsb h ILE 23 Cb 0.00 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 2wsb h ILE 23 CO 0.00 0.25 0.22 1.23 0.00 0.00 0.00 178.15 179.85 2wsb h GLY 24 N 1.04 0.77 1.07 5.37 0.00 -1.63 0.11 103.07 109.80 2wsb h GLY 24 Ca 0.27 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2wsb h GLY 24 CO -0.04 0.38 0.02 -2.00 0.00 0.00 0.00 176.54 174.89 2wsb h LEU 25 N 0.65 1.02 -1.08 3.11 5.85 -1.31 -0.91 115.31 122.65 2wsb h LEU 25 Ca 0.17 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2wsb h LEU 25 Cb 0.15 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2wsb h LEU 25 CO -0.02 1.07 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.84 2wsb h GLU 26 N 0.95 0.38 -0.84 1.25 4.57 -0.91 -1.41 114.58 118.56 2wsb h GLU 26 Ca 0.17 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2wsb h GLU 26 Cb 0.53 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 2wsb h GLU 26 CO 0.03 0.59 0.40 0.82 -1.18 0.00 0.00 179.01 179.67 2wsb h ILE 27 N 0.34 1.26 -0.95 2.32 2.04 -0.46 -0.28 117.51 121.77 2wsb h ILE 27 Ca 0.05 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.19 2wsb h ILE 27 Cb 0.59 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2wsb h ILE 27 CO 0.04 0.31 0.63 0.00 0.00 0.00 0.00 178.15 179.14 2wsb h ARG 29 N 1.29 0.36 -0.43 0.00 3.08 -0.52 0.17 114.38 118.33 2wsb h ARG 29 Ca 0.35 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.27 2wsb h ARG 29 Cb -0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2wsb h ARG 29 CO -0.08 0.34 -0.07 0.00 -1.07 0.00 0.00 179.97 179.09 2wsb h ALA 30 N 1.01 1.08 -0.16 0.04 0.00 -0.55 -1.12 119.26 119.57 2wsb h ALA 30 Ca 0.09 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2wsb h ALA 30 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wsb h ALA 30 CO -0.01 0.57 -0.40 0.74 0.00 0.00 0.00 179.25 180.15 2wsb h PHE 31 N 0.67 0.70 -0.85 0.00 -1.00 -0.61 -2.38 116.94 113.48 2wsb h PHE 31 Ca 0.12 -0.27 0.02 0.00 2.81 0.00 0.00 57.97 60.65 2wsb h PHE 31 Cb 0.52 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.91 2wsb h PHE 31 CO 0.02 1.02 0.56 0.00 -1.61 0.00 0.00 178.31 178.30 2wsb h ALA 32 N 0.55 1.08 0.00 2.45 0.00 -0.82 -1.36 119.26 121.16 2wsb h ALA 32 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wsb h ALA 32 Cb 1.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wsb h ALA 32 CO 0.09 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 2wsb h ALA 33 N 1.32 1.13 -0.52 0.00 0.00 -1.02 -2.21 119.26 117.97 2wsb h ALA 33 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wsb h ALA 33 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wsb h ALA 33 CO -0.08 0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.75 2wsb n SER 34 N -3.42 3.00 0.00 0.00 7.64 -0.67 -4.95 113.62 115.22 2wsb n SER 34 Ca -0.01 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2wsb n SER 34 Cb 0.29 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 1.40 0.41 3.86 0.23 0.00 -0.83 -0.61 105.19 109.65 2wsb n GLY 35 Ca 0.19 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 -2.00 3.25 0.30 4.61 0.00 -0.60 -3.26 121.76 124.05 2wsb s ALA 36 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2wsb s ALA 36 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2wsb s ALA 36 CO 0.00 -0.08 0.33 1.03 0.00 0.00 0.00 175.76 177.03 2wsb s ARG 37 N -3.92 3.00 0.05 0.00 0.52 -0.47 -4.19 118.95 113.95 2wsb s ARG 37 Ca 0.54 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 54.75 2wsb s ARG 37 Cb -0.10 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2wsb s ARG 37 CO 0.31 0.22 -0.20 -0.51 0.02 0.00 0.00 175.30 175.14 2wsb s LEU 38 N -4.00 2.18 -0.35 2.53 1.43 0.58 -0.51 118.68 120.54 2wsb s LEU 38 Ca 0.39 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 2wsb s LEU 38 Cb -0.08 -0.91 0.04 0.00 0.03 0.00 0.00 46.19 45.27 2wsb s LEU 38 CO 0.28 0.13 0.12 -0.63 0.23 0.00 0.00 176.35 176.48 2wsb s ILE 39 N -0.85 3.86 -0.21 -0.59 -1.09 0.46 -0.23 121.20 122.56 2wsb s ILE 39 Ca 0.06 -1.14 -0.24 0.00 -2.23 0.00 0.00 60.65 57.11 2wsb s ILE 39 Cb -0.09 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 2wsb s ILE 39 CO 0.02 -0.21 0.78 -0.76 -1.23 0.00 0.00 174.94 173.54 2wsb s LEU 40 N 1.41 4.12 -0.09 2.97 1.43 -0.31 -1.08 118.68 127.12 2wsb s LEU 40 Ca -0.01 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2wsb s LEU 40 Cb -0.20 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 42.91 2wsb s LEU 40 CO 0.03 -0.42 -0.17 -0.63 0.23 0.00 0.00 176.35 175.39 2wsb s ILE 41 N 2.43 1.53 0.02 -0.59 1.01 -0.45 -0.31 121.20 124.85 2wsb s ILE 41 Ca 0.34 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 2wsb s ILE 41 Cb -0.16 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.01 2wsb s ILE 41 CO 0.10 0.45 0.68 -0.62 0.00 0.00 0.00 174.94 175.54 2wsb s ASP 42 N 0.70 -0.60 0.02 3.58 -1.08 -0.98 -0.88 116.67 117.43 2wsb s ASP 42 Ca -0.13 0.40 0.27 0.00 -0.52 0.00 0.00 52.55 52.58 2wsb s ASP 42 Cb -0.16 0.54 0.87 0.00 -1.46 0.00 0.00 42.92 42.71 2wsb s ASP 42 CO 0.03 -0.73 1.68 -2.11 0.52 0.00 0.00 175.17 174.57 2wsb n ARG 43 N 0.37 0.04 -3.46 4.34 1.85 -0.98 -1.81 116.66 117.01 2wsb n ARG 43 Ca -0.17 0.02 -0.43 0.00 -1.00 0.00 0.00 57.85 56.27 2wsb n ARG 43 Cb 0.60 -1.53 -0.06 0.00 -1.05 0.00 0.00 32.46 30.41 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 -3.02 2.81 0.40 2.89 0.41 -1.26 -4.80 118.70 116.13 2wsb s GLU 44 Ca 0.12 -1.91 0.16 0.00 -0.41 0.00 0.00 54.97 52.93 2wsb s GLU 44 Cb 0.18 -4.10 1.03 0.00 -1.78 0.00 0.00 34.13 29.46 2wsb s GLU 44 CO 0.61 -1.25 1.82 0.00 -0.49 0.00 0.00 175.26 175.95 2wsb h ALA 45 N 8.38 2.13 -0.07 5.21 0.00 -1.98 -1.59 119.26 131.33 2wsb h ALA 45 Ca -0.18 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2wsb h ALA 45 Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2wsb h ALA 45 CO 0.89 -0.46 -0.59 0.00 0.00 0.00 0.00 179.25 179.08 2wsb h ALA 46 N 1.61 0.87 -0.19 0.00 0.00 -1.99 0.05 119.26 119.61 2wsb h ALA 46 Ca 0.52 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wsb h ALA 46 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wsb h ALA 46 CO -0.23 0.72 -0.35 0.00 0.00 0.00 0.00 179.25 179.38 2wsb h ALA 47 N 1.21 0.30 -0.07 0.00 0.00 -1.64 -2.56 119.26 116.49 2wsb h ALA 47 Ca -0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2wsb h ALA 47 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2wsb h ALA 47 CO 0.09 0.37 -0.22 -0.07 0.00 0.00 0.00 179.25 179.42 2wsb h LEU 48 N 0.25 0.12 -0.04 0.00 3.38 -1.05 -0.48 115.31 117.48 2wsb h LEU 48 Ca 0.01 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2wsb h LEU 48 Cb 0.95 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 2wsb h LEU 48 CO 0.08 0.35 -0.27 0.44 0.09 0.00 0.00 178.44 179.13 2wsb h ASP 49 N 0.11 -0.82 -0.52 -0.43 5.19 -0.74 0.75 116.42 119.97 2wsb h ASP 49 Ca 0.02 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2wsb h ASP 49 Cb 0.46 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 2wsb h ASP 49 CO 0.03 -0.33 0.24 -0.09 -3.12 0.00 0.00 179.24 175.98 2wsb h ARG 50 N -0.39 0.76 -0.25 3.56 2.43 -1.04 -2.31 114.38 117.13 2wsb h ARG 50 Ca 0.07 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2wsb h ARG 50 Cb 0.50 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2wsb h ARG 50 CO -0.27 0.63 0.01 0.00 -1.51 0.00 0.00 179.97 178.83 2wsb h ALA 51 N 1.08 0.34 -0.45 2.80 0.00 -0.82 -2.72 119.26 119.50 2wsb h ALA 51 Ca 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2wsb h ALA 51 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wsb h ALA 51 CO -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 2wsb h ALA 52 N 0.82 1.15 -0.14 0.00 0.00 -0.86 -0.62 119.26 119.60 2wsb h ALA 52 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2wsb h ALA 52 Cb 0.40 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2wsb h ALA 52 CO 0.01 0.55 -0.37 0.37 0.00 0.00 0.00 179.25 179.81 2wsb h GLN 53 N 0.69 -0.42 -0.41 0.00 5.75 -1.26 -0.97 115.11 118.49 2wsb h GLN 53 Ca 0.14 0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2wsb h GLN 53 Cb 0.43 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2wsb h GLN 53 CO 0.02 -0.28 -0.19 1.49 -2.65 0.00 0.00 178.83 177.22 2wsb h GLU 54 N -0.44 0.85 0.00 1.69 4.81 -1.16 -3.13 114.58 117.21 2wsb h GLU 54 Ca 0.09 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2wsb h GLU 54 Cb 0.59 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2wsb h GLU 54 CO -0.39 1.01 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.50 2wsb h LEU 55 N 0.66 0.00 0.00 1.64 3.38 -0.97 -3.48 115.31 116.55 2wsb h LEU 55 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wsb h LEU 55 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2wsb h LEU 55 CO 0.06 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2wsb n GLY 56 N 1.22 3.57 0.00 0.83 0.00 -0.38 -2.25 105.19 108.17 2wsb n GLY 56 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 11.62 1.92 0.31 4.61 0.00 -1.26 -1.88 120.51 135.82 2wsb n ALA 57 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.53 2wsb n ALA 57 Cb 0.00 -1.31 0.75 0.00 0.00 0.00 0.00 19.45 18.89 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 2.73 1.00 -2.00 0.00 0.00 -1.81 -3.42 119.26 115.76 2wsb h ALA 58 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2wsb h ALA 58 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2wsb h ALA 58 CO 0.00 0.00 0.53 0.08 0.00 0.00 0.00 179.25 179.86 2wsb s VAL 59 N -3.69 4.55 0.11 0.00 1.01 -0.79 -0.31 120.40 121.29 2wsb s VAL 59 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.85 2wsb s VAL 59 Cb 0.10 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 2wsb s VAL 59 CO 0.45 -0.70 1.25 0.00 0.00 0.00 0.00 175.10 176.10 2wsb h ALA 60 N 8.85 0.29 -2.15 5.51 0.00 -0.87 -3.46 119.26 127.43 2wsb h ALA 60 Ca -0.24 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 53.74 2wsb h ALA 60 Cb 1.08 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.57 2wsb h ALA 60 CO 0.99 1.18 0.26 0.00 0.00 0.00 0.00 179.25 181.68 2wsb s ALA 61 N -2.70 -1.76 -0.07 0.00 0.00 -1.04 -5.02 121.76 111.17 2wsb s ALA 61 Ca -0.00 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.17 2wsb s ALA 61 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2wsb s ALA 61 CO 0.84 -0.46 -0.18 -0.98 0.00 0.00 0.00 175.76 174.98 2wsb s ARG 62 N -1.78 2.19 -0.09 0.00 1.70 -1.26 -1.16 118.95 118.55 2wsb s ARG 62 Ca -0.06 -0.63 -0.00 0.00 -0.47 0.00 0.00 55.73 54.57 2wsb s ARG 62 Cb -0.00 -1.76 0.02 0.00 -0.57 0.00 0.00 34.95 32.64 2wsb s ARG 62 CO 0.03 0.14 -0.06 0.42 -1.08 0.00 0.00 175.30 174.75 2wsb s ILE 63 N 0.39 0.83 -0.45 4.99 1.01 0.58 -4.97 121.20 123.59 2wsb s ILE 63 Ca -0.13 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 2wsb s ILE 63 Cb -0.16 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.48 2wsb s ILE 63 CO 0.05 0.32 0.85 -0.69 0.00 0.00 0.00 174.94 175.47 2wsb s VAL 64 N 1.51 4.58 -0.01 2.92 1.01 -1.26 -2.33 120.40 126.82 2wsb s VAL 64 Ca 0.00 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 2wsb s VAL 64 Cb -0.13 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.92 2wsb s VAL 64 CO -0.05 -0.74 0.37 0.00 0.00 0.00 0.00 175.10 174.68 2wsb s ALA 65 N 3.48 -0.94 -0.26 5.51 0.00 -0.75 -4.96 121.76 123.84 2wsb s ALA 65 Ca 0.33 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 2wsb s ALA 65 Cb -0.11 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2wsb s ALA 65 CO 0.24 -0.30 0.52 0.34 0.00 0.00 0.00 175.76 176.56 2wsb s ASP 66 N -1.39 6.44 0.54 0.00 -1.08 -1.26 -2.33 116.67 117.59 2wsb s ASP 66 Ca -0.12 0.53 0.35 0.00 -0.52 0.00 0.00 52.55 52.79 2wsb s ASP 66 Cb -0.04 -2.28 1.70 0.00 -1.46 0.00 0.00 42.92 40.84 2wsb s ASP 66 CO 0.04 -0.29 2.06 -0.37 0.52 0.00 0.00 175.17 177.14 2wsb h VAL 67 N 5.40 0.00 0.00 1.11 -1.51 -1.96 -1.03 116.25 118.26 2wsb h VAL 67 Ca -0.29 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2wsb h VAL 67 Cb 1.14 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2wsb h VAL 67 CO 0.72 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.41 2wsb n THR 68 N -2.90 0.63 -3.20 7.19 -2.24 -1.26 -4.21 114.28 108.29 2wsb n THR 68 Ca -0.01 0.16 -0.45 0.00 -2.27 0.00 0.00 64.05 61.48 2wsb n THR 68 Cb 0.18 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.54 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 6.22 0.23 3.42 -1.08 -0.39 -4.90 116.67 117.23 2wsb s ASP 69 Ca 0.11 -1.66 -0.07 0.00 -0.52 0.00 0.00 52.55 50.41 2wsb s ASP 69 Cb 0.13 -2.26 0.33 0.00 -1.46 0.00 0.00 42.92 39.65 2wsb s ASP 69 CO 0.35 -0.98 1.80 0.00 0.52 0.00 0.00 175.17 176.86 2wsb h ALA 70 N 8.99 1.04 -0.79 3.66 0.00 -1.85 -1.41 119.26 128.89 2wsb h ALA 70 Ca -0.27 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2wsb h ALA 70 Cb 1.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2wsb h ALA 70 CO 1.06 0.06 0.39 0.93 0.00 0.00 0.00 179.25 181.69 2wsb h GLU 71 N 0.72 1.13 -0.50 0.00 5.08 -1.96 -0.82 114.58 118.24 2wsb h GLU 71 Ca 0.35 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2wsb h GLU 71 Cb 0.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2wsb h GLU 71 CO -0.23 0.87 0.06 0.00 -1.00 0.00 0.00 179.01 178.71 2wsb h ALA 72 N 1.30 1.16 -0.24 3.43 0.00 -1.64 -0.29 119.26 122.98 2wsb h ALA 72 Ca 0.27 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2wsb h ALA 72 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wsb h ALA 72 CO -0.04 0.55 -0.42 0.52 0.00 0.00 0.00 179.25 179.87 2wsb h MET 73 N 0.76 0.70 -0.77 0.00 2.86 -0.72 0.11 114.93 117.87 2wsb h MET 73 Ca 0.16 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2wsb h MET 73 Cb 0.38 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2wsb h MET 73 CO 0.01 1.06 0.50 1.15 1.06 0.00 0.00 176.91 180.69 2wsb h THR 74 N 0.42 1.15 -0.42 2.22 2.02 -0.97 -1.25 112.91 116.08 2wsb h THR 74 Ca 0.02 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 2wsb h THR 74 Cb 1.01 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2wsb h THR 74 CO 0.09 0.18 -0.15 0.00 0.37 0.00 0.00 175.52 176.02 2wsb h ALA 75 N 1.31 0.95 -0.78 6.16 0.00 -0.95 -2.09 119.26 123.85 2wsb h ALA 75 Ca 0.30 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2wsb h ALA 75 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2wsb h ALA 75 CO -0.09 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.10 2wsb h ALA 76 N 1.13 1.02 -0.63 0.00 0.00 -0.27 0.17 119.26 120.68 2wsb h ALA 76 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2wsb h ALA 76 Cb 0.64 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2wsb h ALA 76 CO 0.04 0.63 0.14 0.00 0.00 0.00 0.00 179.25 180.06 2wsb h ALA 77 N 1.17 0.83 -0.45 0.00 0.00 -1.03 0.12 119.26 119.90 2wsb h ALA 77 Ca 0.26 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wsb h ALA 77 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wsb h ALA 77 CO -0.02 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.87 2wsb h ALA 78 N 1.04 0.59 -0.71 0.00 0.00 -1.05 0.58 119.26 119.71 2wsb h ALA 78 Ca 0.20 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wsb h ALA 78 Cb 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2wsb h ALA 78 CO 0.01 0.30 0.47 1.49 0.00 0.00 0.00 179.25 181.51 2wsb h GLU 79 N 0.60 0.92 -0.17 0.00 4.81 -0.42 -1.83 114.58 118.49 2wsb h GLU 79 Ca 0.14 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2wsb h GLU 79 Cb 0.36 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2wsb h GLU 79 CO 0.01 0.61 -0.21 0.00 -0.73 0.00 0.00 179.01 178.69 2wsb h ALA 80 N 1.27 0.25 -0.01 2.92 0.00 -0.55 -2.89 119.26 120.24 2wsb h ALA 80 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wsb h ALA 80 Cb -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wsb h ALA 80 CO -0.06 0.19 0.01 0.93 0.00 0.00 0.00 179.25 180.32 2wsb h GLU 81 N 0.07 0.00 0.00 0.00 4.39 -0.71 -0.67 114.58 117.66 2wsb h GLU 81 Ca 0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2wsb h GLU 81 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2wsb h GLU 81 CO 0.05 0.00 -0.28 0.00 -1.16 0.00 0.00 179.01 177.62 2wsb h ALA 82 N 1.98 0.91 0.04 3.43 0.00 -1.12 -3.24 119.26 121.27 2wsb h ALA 82 Ca 0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 82 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wsb h ALA 82 CO -0.00 0.35 -1.03 0.28 0.00 0.00 0.00 179.25 178.85 2wsb h VAL 83 N 0.00 1.16 -2.44 0.00 2.07 -1.14 -3.50 116.25 112.41 2wsb h VAL 83 Ca -0.00 -2.30 -0.02 0.00 0.82 0.00 0.00 66.70 65.20 2wsb h VAL 83 Cb 0.97 2.68 -0.16 0.00 -1.52 0.00 0.00 31.29 33.27 2wsb h VAL 83 CO 0.04 0.53 0.25 0.00 0.02 0.00 0.00 177.57 178.41 2wsb s ALA 84 N -2.37 -1.71 0.18 1.67 0.00 -0.49 -5.13 121.76 113.91 2wsb s ALA 84 Ca -0.23 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 2wsb s ALA 84 Cb 0.03 0.38 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 2wsb s ALA 84 CO 0.68 -0.57 1.43 -1.25 0.00 0.00 0.00 175.76 176.05 2wsb s PRO 85 N -2.48 4.30 -0.41 0.00 0.04 -1.26 -3.84 135.00 131.35 2wsb s PRO 85 Ca -0.04 2.20 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2wsb s PRO 85 Cb -0.01 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.37 2wsb s PRO 85 CO -0.02 -0.43 0.51 0.08 0.04 0.00 0.00 177.00 177.17 2wsb s VAL 86 N 0.61 5.00 -1.50 -0.36 1.01 -1.26 -4.11 120.40 119.79 2wsb s VAL 86 Ca 0.63 -0.08 0.20 0.00 0.00 0.00 0.00 61.98 62.72 2wsb s VAL 86 Cb -0.40 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 31.84 2wsb s VAL 86 CO 0.36 -0.42 0.93 -1.54 0.00 0.00 0.00 175.10 174.42 2wsb n SER 87 N 5.81 1.54 -3.95 3.32 3.41 -0.33 -4.64 113.62 118.78 2wsb n SER 87 Ca -0.05 -1.27 -0.19 0.00 -0.26 0.00 0.00 58.87 57.10 2wsb n SER 87 Cb 0.48 0.65 -0.16 0.00 -0.26 0.00 0.00 64.21 64.93 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 -2.43 0.61 -0.06 -1.33 1.01 -1.15 -1.39 121.20 116.46 2wsb s ILE 88 Ca 0.13 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2wsb s ILE 88 Cb 0.15 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 42.06 2wsb s ILE 88 CO 0.60 0.21 -0.16 -0.22 0.00 0.00 0.00 174.94 175.37 2wsb s LEU 89 N 0.40 1.85 -0.25 2.97 2.96 -0.42 -1.02 118.68 125.16 2wsb s LEU 89 Ca -0.05 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2wsb s LEU 89 Cb -0.10 -0.96 0.04 0.00 0.50 0.00 0.00 46.19 45.67 2wsb s LEU 89 CO 0.00 0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.39 2wsb s VAL 90 N 0.27 2.70 -0.93 1.68 1.01 0.11 -0.67 120.40 124.58 2wsb s VAL 90 Ca -0.09 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 60.54 2wsb s VAL 90 Cb -0.13 -2.42 0.18 0.00 0.00 0.00 0.00 36.38 34.00 2wsb s VAL 90 CO 0.03 0.13 1.02 0.20 0.00 0.00 0.00 175.10 176.49 2wsb s ASN 91 N 1.27 6.76 -0.01 3.32 -0.87 -0.46 -1.17 114.94 123.78 2wsb s ASN 91 Ca -0.02 -2.46 0.17 0.00 -1.57 0.00 0.00 52.86 48.97 2wsb s ASN 91 Cb -0.17 -2.32 -0.22 0.00 -0.02 0.00 0.00 41.25 38.52 2wsb s ASN 91 CO -0.05 -0.81 0.54 -0.24 -2.57 0.00 0.00 177.10 173.98 2wsb n SER 92 N 5.27 0.95 -4.75 -1.22 2.88 -0.97 -1.90 113.62 113.88 2wsb n SER 92 Ca 0.21 -0.46 -0.42 0.00 -1.33 0.00 0.00 58.87 56.88 2wsb n SER 92 Cb 0.47 1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 65.29 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 -1.72 2.64 -3.60 -1.46 0.00 -1.01 -4.69 120.51 110.68 2wsb n ALA 93 Ca 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 2wsb n ALA 93 Cb 0.34 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 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 0.57 -0.27 0.15 0.00 0.00 -1.26 -4.70 107.32 101.81 2wsb s GLY 94 Ca 0.65 1.70 0.03 0.00 0.00 0.00 0.00 44.72 47.09 2wsb s GLY 94 CO 0.47 0.59 -0.04 -0.26 0.00 0.00 0.00 173.10 173.86 2wsb s ILE 95 N -2.28 0.83 -0.04 0.90 -4.36 -1.26 -5.04 121.20 109.96 2wsb s ILE 95 Ca 0.09 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 2wsb s ILE 95 Cb -0.01 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.77 2wsb s ILE 95 CO -0.05 -0.64 -0.02 0.00 0.24 0.00 0.00 174.94 174.48 2wsb s ALA 96 N -3.55 0.48 -0.07 2.27 0.00 -1.26 -4.93 121.76 114.70 2wsb s ALA 96 Ca 0.19 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.24 2wsb s ALA 96 Cb 0.05 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2wsb s ALA 96 CO 0.01 -0.03 -0.14 1.03 0.00 0.00 0.00 175.76 176.63 2wsb s ARG 97 N 0.94 1.91 0.08 0.00 1.81 -1.26 -5.13 118.95 117.31 2wsb s ARG 97 Ca -0.11 -0.48 -0.30 0.00 -1.72 0.00 0.00 55.73 53.12 2wsb s ARG 97 Cb -0.14 -1.57 -0.05 0.00 -0.45 0.00 0.00 34.95 32.74 2wsb s ARG 97 CO -0.01 0.03 1.07 -0.51 -0.68 0.00 0.00 175.30 175.20 2wsb s LEU 98 N 0.69 4.43 -0.25 2.53 1.43 -1.26 -4.69 118.68 121.55 2wsb s LEU 98 Ca -0.14 1.90 -0.18 0.00 -1.03 0.00 0.00 54.13 54.68 2wsb s LEU 98 Cb -0.16 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.55 2wsb s LEU 98 CO 0.04 -0.27 0.64 -1.38 0.23 0.00 0.00 176.35 175.61 2wsb s HIS 99 N 0.50 -0.86 0.31 0.29 -3.43 -0.41 -4.99 115.29 106.71 2wsb s HIS 99 Ca 0.52 1.87 -0.28 0.00 -0.80 0.00 0.00 55.06 56.37 2wsb s HIS 99 Cb -0.26 0.42 -0.09 0.00 -1.43 0.00 0.00 32.58 31.21 2wsb s HIS 99 CO 0.30 -0.42 1.06 -0.51 -2.00 0.00 0.00 174.74 173.17 2wsb s ASP 100 N 1.02 7.18 0.22 7.38 1.11 -1.26 -3.65 116.67 128.67 2wsb s ASP 100 Ca -0.05 2.16 -0.08 0.00 0.18 0.00 0.00 52.55 54.75 2wsb s ASP 100 Cb -0.05 -2.61 0.29 0.00 1.07 0.00 0.00 42.92 41.61 2wsb s ASP 100 CO -0.10 -0.19 1.81 0.00 1.18 0.00 0.00 175.17 177.87 2wsb h ALA 101 N 3.49 0.97 0.00 5.23 0.00 -1.98 -0.30 119.26 126.67 2wsb h ALA 101 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 101 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wsb h ALA 101 CO 0.66 0.06 0.00 1.28 0.00 0.00 0.00 179.25 181.25 2wsb n LEU 102 N -4.78 0.00 -0.54 0.00 4.77 -1.26 -2.52 117.00 112.68 2wsb n LEU 102 Ca 0.10 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2wsb n LEU 102 Cb 0.21 -0.23 0.14 0.00 -2.33 0.00 0.00 43.42 41.21 2wsb n LEU 102 CO 0.28 -0.02 0.62 -0.62 -1.33 0.00 0.00 177.39 176.31 2wsb n GLU 103 N -1.23 2.83 -2.34 3.23 4.71 -0.18 -5.02 120.64 122.63 2wsb n GLU 103 Ca 0.15 -2.11 -0.42 0.00 -0.01 0.00 0.00 57.16 54.76 2wsb n GLU 103 Cb 0.19 -1.33 -0.03 0.00 -1.01 0.00 0.00 31.44 29.27 2wsb n GLU 103 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2wsb s THR 104 N -1.41 3.94 0.14 2.62 2.01 -0.83 -4.83 115.64 117.28 2wsb s THR 104 Ca 0.23 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 2wsb s THR 104 Cb 0.14 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 2wsb s THR 104 CO 0.11 0.03 1.05 -0.62 -0.69 0.00 0.00 174.62 174.49 2wsb s ASP 105 N 1.52 7.35 0.48 3.53 3.68 -1.26 -4.95 116.67 127.02 2wsb s ASP 105 Ca 0.60 1.95 0.21 0.00 2.13 0.00 0.00 52.55 57.43 2wsb s ASP 105 Cb -0.29 -2.59 1.23 0.00 -1.45 0.00 0.00 42.92 39.82 2wsb s ASP 105 CO 0.26 -0.17 1.96 0.44 0.13 0.00 0.00 175.17 177.78 2wsb h ASP 106 N 5.48 0.19 0.52 -0.34 3.32 -2.01 0.42 116.42 124.01 2wsb h ASP 106 Ca -0.43 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 2wsb h ASP 106 Cb 1.21 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2wsb h ASP 106 CO 0.73 0.10 -0.54 0.00 -1.72 0.00 0.00 179.24 177.80 2wsb h ALA 107 N 1.69 1.08 0.10 3.45 0.00 -1.99 -1.70 119.26 121.90 2wsb h ALA 107 Ca 0.31 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wsb h ALA 107 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2wsb h ALA 107 CO -0.06 0.68 -0.05 1.15 0.00 0.00 0.00 179.25 180.98 2wsb h THR 108 N 0.02 1.08 -0.59 0.00 2.02 -1.31 0.38 112.91 114.50 2wsb h THR 108 Ca -0.00 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 66.55 2wsb h THR 108 Cb 0.97 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.84 2wsb h THR 108 CO 0.07 0.17 0.23 -0.25 0.37 0.00 0.00 175.52 176.12 2wsb h TRP 109 N -0.46 0.41 -0.35 3.16 2.91 -1.22 -1.57 115.95 118.83 2wsb h TRP 109 Ca -0.01 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.91 2wsb h TRP 109 Cb 0.38 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 2wsb h TRP 109 CO 0.03 0.13 -0.30 0.00 -1.03 0.00 0.00 178.44 177.27 2wsb h ARG 110 N 0.43 0.74 -1.01 2.65 3.08 -1.24 -2.24 114.38 116.79 2wsb h ARG 110 Ca 0.29 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2wsb h ARG 110 Cb 0.33 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2wsb h ARG 110 CO -0.28 0.95 0.67 0.37 -1.07 0.00 0.00 179.97 180.61 2wsb h GLN 111 N 0.63 1.32 -0.10 0.04 4.15 0.47 0.08 115.11 121.71 2wsb h GLN 111 Ca 0.07 -0.08 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 2wsb h GLN 111 Cb 0.82 -0.30 0.01 0.00 0.21 0.00 0.00 27.48 28.22 2wsb h GLN 111 CO 0.07 0.88 -0.51 0.28 -1.93 0.00 0.00 178.83 177.62 2wsb h VAL 112 N 1.36 1.36 -0.39 2.39 2.07 -1.17 -2.79 116.25 119.09 2wsb h VAL 112 Ca 0.37 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 66.07 2wsb h VAL 112 Cb -0.15 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2wsb h VAL 112 CO -0.08 0.55 0.24 0.24 0.02 0.00 0.00 177.57 178.54 2wsb h MET 113 N 0.13 0.48 -0.52 1.57 2.86 -1.21 -1.19 114.93 117.05 2wsb h MET 113 Ca -0.03 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2wsb h MET 113 Cb 1.15 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2wsb h MET 113 CO 0.11 0.32 0.21 0.00 1.06 0.00 0.00 176.91 178.60 2wsb h ALA 114 N 1.16 0.68 0.13 6.32 0.00 -0.97 -1.20 119.26 125.37 2wsb h ALA 114 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wsb h ALA 114 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wsb h ALA 114 CO -0.06 0.29 -0.06 0.28 0.00 0.00 0.00 179.25 179.70 2wsb h VAL 115 N 0.70 0.93 0.00 0.00 2.07 -1.43 0.27 116.25 118.79 2wsb h VAL 115 Ca 0.17 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 2wsb h VAL 115 Cb 0.20 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wsb h VAL 115 CO -0.01 0.25 -0.37 0.78 0.02 0.00 0.00 177.57 178.23 2wsb h ASN 116 N -0.86 0.00 0.00 0.57 4.21 -1.19 -3.24 115.58 115.07 2wsb h ASN 116 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2wsb h ASN 116 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2wsb h ASN 116 CO 0.03 0.37 -0.44 0.55 -1.29 0.00 0.00 177.43 176.65 2wsb n VAL 117 N -3.37 0.00 -0.17 2.81 3.14 -0.54 -4.46 118.33 115.74 2wsb n VAL 117 Ca 0.01 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.33 2wsb n VAL 117 Cb 0.57 -0.56 0.03 0.00 -1.06 0.00 0.00 33.84 32.82 2wsb n VAL 117 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2wsb h ASP 118 N 0.00 0.49 0.03 6.55 3.32 -1.28 -0.94 116.42 124.58 2wsb h ASP 118 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2wsb h ASP 118 Cb 0.44 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2wsb h ASP 118 CO 0.00 0.34 -0.18 1.23 -1.72 0.00 0.00 179.24 178.92 2wsb h GLY 119 N 0.60 0.30 1.03 2.75 0.00 -0.49 0.15 103.07 107.42 2wsb h GLY 119 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2wsb h GLY 119 CO -0.09 0.19 0.16 1.98 0.00 0.00 0.00 176.54 178.79 2wsb h MET 120 N 0.26 1.03 -0.29 4.80 1.85 -1.56 -0.49 114.93 120.53 2wsb h MET 120 Ca 0.05 -0.24 -0.02 0.00 -0.61 0.00 0.00 59.70 58.87 2wsb h MET 120 Cb 0.48 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 2wsb h MET 120 CO 0.03 0.92 0.10 0.35 -0.40 0.00 0.00 176.91 177.91 2wsb h PHE 121 N 0.95 0.46 -0.68 1.39 3.57 -0.12 -0.51 116.94 122.00 2wsb h PHE 121 Ca 0.20 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2wsb h PHE 121 Cb 0.35 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2wsb h PHE 121 CO 0.03 0.47 0.28 -1.49 -2.23 0.00 0.00 178.31 175.37 2wsb h TRP 122 N 0.32 1.02 -0.40 0.41 -0.00 -0.48 0.23 115.95 117.05 2wsb h TRP 122 Ca 0.10 -0.07 -0.09 0.00 -0.00 0.00 0.00 58.89 58.82 2wsb h TRP 122 Cb 0.22 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.06 2wsb h TRP 122 CO 0.00 0.79 -0.11 0.00 -0.00 0.00 0.00 178.44 179.13 2wsb h ALA 123 N 1.12 0.56 -0.24 1.49 0.00 -1.09 -1.45 119.26 119.65 2wsb h ALA 123 Ca 0.23 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2wsb h ALA 123 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wsb h ALA 123 CO -0.02 0.44 -0.44 0.77 0.00 0.00 0.00 179.25 180.00 2wsb h SER 124 N 0.60 0.64 -0.37 0.00 0.02 -0.68 -0.08 113.55 113.68 2wsb h SER 124 Ca 0.10 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2wsb h SER 124 Cb 0.64 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2wsb h SER 124 CO 0.04 0.99 0.14 -0.09 -1.14 0.00 0.00 176.83 176.77 2wsb h ARG 125 N 0.48 0.56 0.33 3.45 2.43 -0.55 0.19 114.38 121.27 2wsb h ARG 125 Ca 0.03 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2wsb h ARG 125 Cb 0.96 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2wsb h ARG 125 CO 0.09 0.55 -0.16 0.00 -1.51 0.00 0.00 179.97 178.94 2wsb h ALA 126 N 0.98 -0.45 0.00 2.80 0.00 -1.01 -2.92 119.26 118.66 2wsb h ALA 126 Ca 0.12 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2wsb h ALA 126 Cb 0.21 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wsb h ALA 126 CO -0.01 -0.63 -0.74 0.74 0.00 0.00 0.00 179.25 178.62 2wsb h PHE 127 N -0.70 0.00 0.00 0.00 0.04 -1.08 -3.28 116.94 111.92 2wsb h PHE 127 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 2wsb h PHE 127 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2wsb h PHE 127 CO 0.01 0.74 -0.22 0.78 -0.60 0.00 0.00 178.31 179.01 2wsb h GLY 128 N 3.11 0.00 0.61 -1.45 0.00 -0.68 -3.26 103.07 101.40 2wsb h GLY 128 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 2wsb h GLY 128 CO 0.10 0.00 -0.19 -0.09 0.00 0.00 0.00 176.54 176.36 2wsb h ARG 129 N 0.00 -0.32 -0.06 4.80 2.43 -1.57 0.70 114.38 120.36 2wsb h ARG 129 Ca -0.00 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2wsb h ARG 129 Cb 0.62 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2wsb h ARG 129 CO 0.03 -0.21 -0.27 0.00 -1.51 0.00 0.00 179.97 178.01 2wsb h ALA 130 N 0.54 1.43 -0.03 2.80 0.00 -1.78 -1.47 119.26 120.76 2wsb h ALA 130 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2wsb h ALA 130 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wsb h ALA 130 CO -0.14 0.41 -0.01 0.52 0.00 0.00 0.00 179.25 180.03 2wsb h MET 131 N 0.10 0.05 -0.79 0.00 2.86 -1.40 -0.91 114.93 114.84 2wsb h MET 131 Ca 0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2wsb h MET 131 Cb 0.54 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2wsb h MET 131 CO 0.04 0.44 0.40 0.28 1.06 0.00 0.00 176.91 179.12 2wsb h VAL 132 N -0.34 1.24 -0.95 -2.22 2.07 -0.66 0.04 116.25 115.44 2wsb h VAL 132 Ca 0.01 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wsb h VAL 132 Cb 0.42 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2wsb h VAL 132 CO 0.00 0.29 0.59 0.00 0.02 0.00 0.00 177.57 178.47 2wsb h ALA 133 N 1.31 1.21 0.00 1.67 0.00 -1.08 -1.69 119.26 120.68 2wsb h ALA 133 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wsb h ALA 133 Cb 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2wsb h ALA 133 CO -0.04 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2wsb h ARG 134 N 1.31 0.00 -0.78 0.00 3.08 -0.71 -3.48 114.38 113.81 2wsb h ARG 134 Ca 0.34 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.29 2wsb h ARG 134 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2wsb h ARG 134 CO -0.07 0.00 -0.13 0.41 -1.07 0.00 0.00 179.97 179.11 2wsb n GLY 135 N 0.63 0.18 3.62 0.04 0.00 -0.06 -5.03 105.19 104.57 2wsb n GLY 135 Ca 0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.28 -1.85 0.00 4.61 0.00 -0.83 -4.18 121.76 117.23 2wsb s ALA 136 Ca 0.01 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2wsb s ALA 136 Cb -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2wsb s ALA 136 CO 0.01 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2wsb n GLY 137 N 2.32 1.24 2.96 0.00 0.00 -1.01 -4.56 105.19 106.13 2wsb n GLY 137 Ca -0.14 -0.95 -0.13 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 -0.28 -0.04 4.61 0.00 -0.49 -1.35 121.76 122.21 2wsb s ALA 138 Ca 0.00 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.53 2wsb s ALA 138 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2wsb s ALA 138 CO 0.00 -0.11 -0.20 0.42 0.00 0.00 0.00 175.76 175.87 2wsb s ILE 139 N 0.65 1.66 -0.15 0.00 1.01 0.22 -1.30 121.20 123.29 2wsb s ILE 139 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2wsb s ILE 139 Cb -0.07 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 41.02 2wsb s ILE 139 CO -0.03 0.47 -0.15 -0.69 0.00 0.00 0.00 174.94 174.54 2wsb s VAL 140 N -0.14 1.64 -0.09 2.92 1.01 0.15 -1.23 120.40 124.67 2wsb s VAL 140 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2wsb s VAL 140 Cb -0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2wsb s VAL 140 CO 0.02 0.47 0.10 0.20 0.00 0.00 0.00 175.10 175.89 2wsb s ASN 141 N 1.43 6.00 -0.78 3.32 0.01 0.09 -1.35 114.94 123.65 2wsb s ASN 141 Ca 0.04 0.33 -0.23 0.00 -0.71 0.00 0.00 52.86 52.30 2wsb s ASN 141 Cb -0.13 -1.85 0.07 0.00 0.41 0.00 0.00 41.25 39.75 2wsb s ASN 141 CO -0.11 0.37 1.13 -0.76 -1.51 0.00 0.00 177.10 176.23 2wsb s LEU 142 N -1.16 4.15 0.00 0.60 2.01 -0.80 -1.17 118.68 122.31 2wsb s LEU 142 Ca 0.17 -1.17 0.00 0.00 0.01 0.00 0.00 54.13 53.14 2wsb s LEU 142 Cb -0.12 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 43.62 2wsb s LEU 142 CO 0.06 -1.45 0.00 0.61 1.01 0.00 0.00 176.35 176.58 2wsb n GLY 143 N 5.60 1.00 3.54 -3.19 0.00 0.74 -4.96 105.19 107.91 2wsb n GLY 143 Ca 0.09 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.33 0.57 1.61 0.15 -1.21 -4.39 113.70 109.10 2wsb s SER 144 Ca 0.00 0.09 0.30 0.00 0.70 0.00 0.00 55.95 57.04 2wsb s SER 144 Cb 0.00 0.32 1.46 0.00 -1.71 0.00 0.00 66.02 66.09 2wsb s SER 144 CO 0.00 -0.49 1.86 0.00 1.20 0.00 0.00 173.24 175.81 2wsb h MET 145 N 2.13 0.00 0.00 5.44 -0.00 -1.10 0.28 114.93 121.69 2wsb h MET 145 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 2wsb h MET 145 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 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 -3.94 0.00 -0.05 -0.10 7.64 -1.26 -0.87 113.62 115.04 2wsb n SER 146 Ca 0.14 0.09 0.13 0.00 1.01 0.00 0.00 58.87 60.23 2wsb n SER 146 Cb 0.85 -0.29 0.41 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.01 -1.19 0.47 0.23 0.00 0.09 -4.44 105.19 100.37 2wsb n GLY 147 Ca 0.07 -0.29 -0.09 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 -1.32 0.55 -4.62 2.61 -1.04 -0.21 -4.25 114.28 106.00 2wsb n THR 148 Ca 0.08 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 2wsb n THR 148 Cb 0.33 -1.36 -0.07 0.00 -1.82 0.00 0.00 70.33 67.41 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 -3.21 0.00 -4.98 12.58 -6.64 -0.05 -5.16 119.36 111.90 2wsb n ILE 149 Ca -0.19 -2.45 -0.32 0.00 -1.77 0.00 0.00 62.75 58.02 2wsb n ILE 149 Cb 0.65 0.72 -0.15 0.00 -1.44 0.00 0.00 39.64 39.43 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 -3.03 2.69 0.84 7.28 1.01 -1.26 -4.20 120.40 123.73 2wsb s VAL 150 Ca 0.13 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2wsb s VAL 150 Cb 0.01 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.41 2wsb s VAL 150 CO 0.09 0.56 1.10 0.20 0.00 0.00 0.00 175.10 177.05 2wsb s ASN 151 N -0.02 3.86 -0.02 3.32 0.01 -1.26 -5.07 114.94 115.75 2wsb s ASN 151 Ca -0.05 1.83 -0.02 0.00 -0.71 0.00 0.00 52.86 53.90 2wsb s ASN 151 Cb -0.14 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2wsb s ASN 151 CO 0.04 -2.44 0.06 -0.60 -1.51 0.00 0.00 177.10 172.65 2wsb s ARG 152 N -4.84 0.07 0.00 -0.60 3.52 -1.26 -4.61 118.95 111.23 2wsb s ARG 152 Ca 0.63 0.09 0.24 0.00 -0.13 0.00 0.00 55.73 56.55 2wsb s ARG 152 Cb -0.19 0.04 0.27 0.00 -1.56 0.00 0.00 34.95 33.51 2wsb s ARG 152 CO 0.57 -0.01 1.25 -0.35 -0.81 0.00 0.00 175.30 175.95 2wsb n PRO 153 N 3.05 0.34 -2.32 5.12 -0.04 -1.26 -4.59 135.00 135.30 2wsb n PRO 153 Ca -0.12 -0.24 -0.34 0.00 -0.04 0.00 0.00 63.50 62.75 2wsb n PRO 153 Cb 0.60 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.82 3.53 -0.09 0.54 0.00 -1.26 -5.03 119.66 114.53 2wsb s GLN 154 Ca 0.14 1.38 -0.01 0.00 -0.00 0.00 0.00 55.36 56.88 2wsb s GLN 154 Cb 0.17 -2.05 -0.03 0.00 0.00 0.00 0.00 33.01 31.10 2wsb s GLN 154 CO 0.69 -0.66 -0.05 -0.06 0.00 0.00 0.00 175.29 175.22 2wsb s PHE 155 N -2.06 3.01 -0.45 9.60 2.99 -1.26 -4.79 117.98 125.02 2wsb s PHE 155 Ca 0.68 0.01 0.06 0.00 0.00 0.00 0.00 56.93 57.67 2wsb s PHE 155 Cb -0.18 -1.77 0.30 0.00 0.00 0.00 0.00 43.02 41.37 2wsb s PHE 155 CO 0.27 0.30 1.11 0.00 -0.00 0.00 0.00 175.22 176.90 2wsb n ALA 156 N 2.43 -1.28 -0.03 5.36 0.00 -1.24 -1.28 120.51 124.47 2wsb n ALA 156 Ca -0.18 -1.28 0.17 0.00 0.00 0.00 0.00 53.44 52.15 2wsb n ALA 156 Cb 0.53 -1.50 0.62 0.00 0.00 0.00 0.00 19.45 19.10 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 3.10 0.13 -0.44 0.00 4.64 -1.89 -0.40 113.55 118.69 2wsb h SER 157 Ca -0.14 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 2wsb h SER 157 Cb 1.10 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2wsb h SER 157 CO 0.14 0.07 0.03 0.77 -0.87 0.00 0.00 176.83 176.97 2wsb h SER 158 N 0.15 0.80 -0.36 4.97 4.64 -1.92 -1.05 113.55 120.78 2wsb h SER 158 Ca 0.26 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2wsb h SER 158 Cb 0.83 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2wsb h SER 158 CO -0.04 0.85 -0.03 0.22 -0.87 0.00 0.00 176.83 176.97 2wsb h TYR 159 N 0.78 0.71 -0.30 4.77 3.20 -1.40 0.15 116.97 124.89 2wsb h TYR 159 Ca 0.16 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2wsb h TYR 159 Cb 0.43 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2wsb h TYR 159 CO 0.02 0.77 0.15 0.52 -1.64 0.00 0.00 178.16 177.99 2wsb h MET 160 N 0.45 0.42 -0.47 1.82 2.86 -1.24 -0.86 114.93 117.92 2wsb h MET 160 Ca 0.10 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2wsb h MET 160 Cb 0.50 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2wsb h MET 160 CO 0.02 0.38 -0.05 0.00 1.06 0.00 0.00 176.91 178.32 2wsb h ALA 161 N 1.02 1.03 -0.66 6.32 0.00 -1.14 -1.07 119.26 124.75 2wsb h ALA 161 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2wsb h ALA 161 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wsb h ALA 161 CO -0.02 0.59 0.19 0.66 0.00 0.00 0.00 179.25 180.68 2wsb h SER 162 N 0.74 0.96 0.63 0.00 4.64 -0.52 -1.76 113.55 118.24 2wsb h SER 162 Ca 0.13 -0.18 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 2wsb h SER 162 Cb 0.53 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2wsb h SER 162 CO 0.03 0.91 -0.91 0.11 -0.87 0.00 0.00 176.83 176.10 2wsb h LYS 163 N 0.99 0.17 -0.81 4.77 1.79 -0.69 -0.27 116.57 122.52 2wsb h LYS 163 Ca 0.21 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2wsb h LYS 163 Cb 0.30 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 2wsb h LYS 163 CO -0.01 0.97 0.52 0.78 -1.08 0.00 0.00 179.45 180.63 2wsb h GLY 164 N 1.95 1.16 1.10 3.86 0.00 -0.93 -1.51 103.07 108.69 2wsb h GLY 164 Ca -0.05 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 2wsb h GLY 164 CO 0.14 0.37 -0.05 0.00 0.00 0.00 0.00 176.54 177.00 2wsb h ALA 165 N 1.32 0.81 -0.52 3.60 0.00 -0.96 -2.43 119.26 121.07 2wsb h ALA 165 Ca 0.31 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2wsb h ALA 165 Cb -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2wsb h ALA 165 CO -0.09 0.67 0.29 0.28 0.00 0.00 0.00 179.25 180.40 2wsb h VAL 166 N 0.96 1.00 -0.66 0.00 2.07 -0.65 0.20 116.25 119.17 2wsb h VAL 166 Ca 0.16 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2wsb h VAL 166 Cb 0.61 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2wsb h VAL 166 CO 0.04 0.10 0.07 0.45 0.02 0.00 0.00 177.57 178.25 2wsb h HIS 167 N 0.56 1.19 0.00 1.57 3.86 -1.15 -0.87 115.15 120.31 2wsb h HIS 167 Ca 0.22 -0.18 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 2wsb h HIS 167 Cb 0.08 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 2wsb h HIS 167 CO -0.08 1.01 -0.76 1.96 0.86 0.00 0.00 177.93 180.92 2wsb h GLN 168 N 1.03 0.00 -0.56 2.45 1.08 -1.14 -2.46 115.11 115.50 2wsb h GLN 168 Ca 0.20 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 2wsb h GLN 168 Cb 0.48 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2wsb h GLN 168 CO 0.02 0.76 0.27 1.25 -0.95 0.00 0.00 178.83 180.18 2wsb h LEU 169 N 0.00 0.74 -0.22 1.46 5.85 -0.44 0.74 115.31 123.43 2wsb h LEU 169 Ca -0.01 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2wsb h LEU 169 Cb 1.46 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 2wsb h LEU 169 CO 0.10 0.66 -0.09 0.74 -0.34 0.00 0.00 178.44 179.50 2wsb h THR 170 N 0.76 0.69 -0.52 1.05 2.02 -1.10 -0.83 112.91 114.98 2wsb h THR 170 Ca 0.19 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 2wsb h THR 170 Cb 0.12 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2wsb h THR 170 CO -0.02 0.00 -0.02 0.03 0.37 0.00 0.00 175.52 175.87 2wsb h ARG 171 N -0.06 0.90 -0.53 6.66 3.08 -1.02 -0.30 114.38 123.11 2wsb h ARG 171 Ca 0.12 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2wsb h ARG 171 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2wsb h ARG 171 CO -0.26 0.91 0.14 0.00 -1.07 0.00 0.00 179.97 179.69 2wsb h ALA 172 N 1.14 0.69 -0.07 0.04 0.00 -0.55 -0.86 119.26 119.66 2wsb h ALA 172 Ca 0.15 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2wsb h ALA 172 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wsb h ALA 172 CO 0.03 0.38 -0.71 -0.07 0.00 0.00 0.00 179.25 178.87 2wsb h LEU 173 N 0.73 0.42 -0.61 0.00 3.38 -1.04 -1.21 115.31 116.99 2wsb h LEU 173 Ca 0.17 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2wsb h LEU 173 Cb 0.31 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2wsb h LEU 173 CO -0.00 1.00 0.35 0.00 0.09 0.00 0.00 178.44 179.88 2wsb h ALA 174 N 1.00 0.79 -0.44 1.53 0.00 -0.75 -0.88 119.26 120.51 2wsb h ALA 174 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2wsb h ALA 174 Cb 1.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2wsb h ALA 174 CO 0.12 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.32 2wsb h ALA 175 N 1.29 0.60 0.00 0.00 0.00 -0.89 -1.26 119.26 119.01 2wsb h ALA 175 Ca 0.26 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2wsb h ALA 175 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wsb h ALA 175 CO -0.13 0.50 -0.62 1.49 0.00 0.00 0.00 179.25 180.49 2wsb h GLU 176 N 0.68 0.00 -0.15 0.00 4.81 -0.94 -3.23 114.58 115.75 2wsb h GLU 176 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2wsb h GLU 176 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2wsb h GLU 176 CO 0.04 0.62 0.00 0.91 -0.73 0.00 0.00 179.01 179.85 2wsb n TRP 177 N -3.72 0.18 -0.31 0.92 8.01 -0.36 -4.60 117.44 117.56 2wsb n TRP 177 Ca -0.01 -0.17 -0.02 0.00 -1.31 0.00 0.00 57.50 56.00 2wsb n TRP 177 Cb 0.63 -0.01 0.15 0.00 -2.01 0.00 0.00 31.31 30.08 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 2.55 1.32 0.00 6.99 0.00 -1.24 -0.81 119.26 128.06 2wsb h ALA 178 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wsb h ALA 178 Cb 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wsb h ALA 178 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.27 2wsb n GLY 179 N -1.34 -1.29 1.12 0.00 0.00 -1.26 -2.45 105.19 99.98 2wsb n GLY 179 Ca 0.10 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.76 3.30 -0.88 1.61 1.74 -0.34 -4.98 116.66 115.34 2wsb n ARG 180 Ca 0.04 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 2wsb n ARG 180 Cb 0.26 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 0.44 0.55 3.32 -0.13 0.00 -1.00 -3.34 105.19 105.01 2wsb n GLY 181 Ca 0.21 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 3.67 0.31 1.61 1.01 -1.07 -2.42 120.40 121.51 2wsb s VAL 182 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2wsb s VAL 182 Cb 0.00 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 2wsb s VAL 182 CO 0.00 0.19 0.83 -0.13 0.00 0.00 0.00 175.10 175.99 2wsb s ARG 183 N 1.47 4.28 -0.07 2.72 0.52 -0.46 -4.19 118.95 123.22 2wsb s ARG 183 Ca 0.03 1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 56.21 2wsb s ARG 183 Cb -0.16 -2.62 0.04 0.00 0.52 0.00 0.00 34.95 32.73 2wsb s ARG 183 CO 0.00 0.22 0.09 0.08 0.02 0.00 0.00 175.30 175.72 2wsb s VAL 184 N -1.78 -0.15 0.19 3.52 1.01 -1.26 -0.61 120.40 121.31 2wsb s VAL 184 Ca 0.51 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.83 2wsb s VAL 184 Cb -0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2wsb s VAL 184 CO 0.19 0.11 0.04 0.20 0.00 0.00 0.00 175.10 175.64 2wsb s ASN 185 N 2.20 1.03 0.04 3.32 0.01 -0.37 -0.17 114.94 121.01 2wsb s ASN 185 Ca 0.04 -1.24 0.05 0.00 -0.71 0.00 0.00 52.86 51.01 2wsb s ASN 185 Cb -0.13 0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.68 2wsb s ASN 185 CO -0.05 -0.64 -0.15 0.00 -1.51 0.00 0.00 177.10 174.75 2wsb s ALA 186 N -3.76 1.23 0.18 0.60 0.00 -0.23 -0.73 121.76 119.05 2wsb s ALA 186 Ca 0.28 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2wsb s ALA 186 Cb 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 2wsb s ALA 186 CO 0.06 0.23 0.58 -0.51 0.00 0.00 0.00 175.76 176.12 2wsb s LEU 187 N -1.23 4.29 -0.64 0.00 1.43 -0.32 -1.07 118.68 121.14 2wsb s LEU 187 Ca 0.02 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 2wsb s LEU 187 Cb -0.08 -3.43 0.18 0.00 0.03 0.00 0.00 46.19 42.89 2wsb s LEU 187 CO 0.01 0.04 0.50 0.00 0.23 0.00 0.00 176.35 177.14 2wsb n ALA 188 N 0.53 3.37 -1.71 4.21 0.00 0.41 -0.19 120.51 127.14 2wsb n ALA 188 Ca -0.03 -4.27 -0.34 0.00 0.00 0.00 0.00 53.44 48.79 2wsb n ALA 188 Cb 0.52 -0.96 0.01 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 -1.33 3.31 0.00 0.00 0.02 -1.26 -1.80 135.00 133.94 2wsb s PRO 189 Ca 0.29 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2wsb s PRO 189 Cb 0.01 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2wsb s PRO 189 CO -0.15 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 2wsb n GLY 190 N -0.18 -1.60 3.76 0.52 0.00 -0.26 -0.90 105.19 106.52 2wsb n GLY 190 Ca 0.11 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.36 3.17 -0.00 1.61 2.02 -1.26 -4.89 117.35 117.64 2wsb s TYR 191 Ca 0.00 1.35 0.06 0.00 -0.37 0.00 0.00 57.07 58.11 2wsb s TYR 191 Cb 0.00 -3.62 -0.02 0.00 -0.40 0.00 0.00 41.96 37.92 2wsb s TYR 191 CO 0.00 -1.79 -0.18 0.08 -1.57 0.00 0.00 175.55 172.10 2wsb s VAL 192 N -0.65 1.42 -0.94 0.71 1.01 -1.26 -0.51 120.40 120.17 2wsb s VAL 192 Ca 0.52 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 2wsb s VAL 192 Cb -0.38 -1.20 0.05 0.00 0.00 0.00 0.00 36.38 34.85 2wsb s VAL 192 CO 0.46 0.34 1.38 0.00 0.00 0.00 0.00 175.10 177.28 2wsb s ALA 193 N -0.50 2.77 0.30 5.51 0.00 -0.48 -4.67 121.76 124.68 2wsb s ALA 193 Ca 0.07 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 49.98 2wsb s ALA 193 Cb -0.07 -4.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 2wsb s ALA 193 CO -0.00 -3.49 0.15 0.95 0.00 0.00 0.00 175.76 173.37 2wsb s THR 194 N 5.01 0.38 0.50 0.00 -4.23 -1.26 -4.56 115.64 111.47 2wsb s THR 194 Ca 0.42 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.11 2wsb s THR 194 Cb -0.02 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.61 2wsb s THR 194 CO -0.04 0.00 2.07 -0.08 -0.54 0.00 0.00 174.62 176.04 2wsb h GLU 195 N 2.21 0.11 -0.87 3.99 4.57 -1.97 -2.06 114.58 120.56 2wsb h GLU 195 Ca -0.34 -0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.04 2wsb h GLU 195 Cb 1.25 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.69 2wsb h GLU 195 CO 0.53 0.07 0.35 1.98 -1.18 0.00 0.00 179.01 180.76 2wsb h MET 196 N 0.11 0.35 -0.24 1.92 4.05 -1.96 -2.86 114.93 116.30 2wsb h MET 196 Ca 0.13 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2wsb h MET 196 Cb 0.35 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2wsb h MET 196 CO -0.01 0.23 0.00 0.25 0.23 0.00 0.00 176.91 177.61 2wsb n THR 197 N -5.08 0.43 -0.02 -0.77 -2.24 -0.87 -4.78 114.28 100.95 2wsb n THR 197 Ca 0.21 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2wsb n THR 197 Cb 0.63 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.80 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 3.18 0.12 -0.97 3.22 5.85 -1.15 0.32 115.31 125.88 2wsb h LEU 198 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2wsb h LEU 198 Cb 0.76 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 2wsb h LEU 198 CO 0.00 0.09 0.61 0.11 -0.34 0.00 0.00 178.44 178.91 2wsb h LYS 199 N 0.17 1.30 -0.15 1.25 1.57 -1.86 -1.99 116.57 116.85 2wsb h LYS 199 Ca 0.06 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 2wsb h LYS 199 Cb 0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 2wsb h LYS 199 CO -0.04 0.88 -0.56 0.52 -0.57 0.00 0.00 179.45 179.69 2wsb h MET 200 N 1.32 0.47 0.00 3.15 2.86 -1.79 -2.81 114.93 118.13 2wsb h MET 200 Ca 0.35 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wsb h MET 200 Cb -0.10 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2wsb h MET 200 CO -0.07 0.90 -0.06 0.00 1.06 0.00 0.00 176.91 178.74 2wsb h ARG 201 N 0.36 0.00 -0.43 1.72 3.08 -0.33 -2.13 114.38 116.65 2wsb h ARG 201 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wsb h ARG 201 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2wsb h ARG 201 CO 0.10 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.45 2wsb n GLU 202 N -3.29 2.01 -3.84 0.04 1.02 -0.81 -4.66 120.64 111.12 2wsb n GLU 202 Ca -0.01 -1.52 -0.35 0.00 -0.02 0.00 0.00 57.16 55.26 2wsb n GLU 202 Cb 0.25 -1.35 -0.12 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.45 1.93 0.36 3.49 0.52 -0.80 -5.00 118.95 117.99 2wsb s ARG 203 Ca 0.28 -1.95 0.09 0.00 -0.52 0.00 0.00 55.73 53.63 2wsb s ARG 203 Cb 0.15 -3.49 0.81 0.00 0.52 0.00 0.00 34.95 32.94 2wsb s ARG 203 CO 0.19 -1.05 1.88 -1.35 0.02 0.00 0.00 175.30 174.98 2wsb h PRO 204 N 7.75 0.67 0.00 3.54 0.11 -1.84 -0.35 132.00 141.89 2wsb h PRO 204 Ca -0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2wsb h PRO 204 Cb 1.02 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wsb h PRO 204 CO 0.66 0.45 -0.00 1.05 -0.21 0.00 0.00 178.00 179.94 2wsb h GLU 205 N 0.69 0.00 0.00 1.05 4.11 -1.94 -1.15 114.58 117.34 2wsb h GLU 205 Ca 0.43 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.66 2wsb h GLU 205 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2wsb h GLU 205 CO -0.19 0.00 -1.34 1.28 0.07 0.00 0.00 179.01 178.83 2wsb n LEU 206 N -3.55 1.88 -0.07 3.06 4.77 -0.33 -4.57 117.00 118.19 2wsb n LEU 206 Ca -0.03 0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 56.38 2wsb n LEU 206 Cb 0.08 -0.88 0.25 0.00 -2.33 0.00 0.00 43.42 40.54 2wsb n LEU 206 CO 0.25 0.10 0.98 0.15 -1.33 0.00 0.00 177.39 177.53 2wsb h PHE 207 N -1.00 0.70 -0.27 -1.77 3.57 -0.97 -1.77 116.94 115.44 2wsb h PHE 207 Ca -0.31 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.02 2wsb h PHE 207 Cb 1.15 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2wsb h PHE 207 CO -0.08 0.62 -0.30 0.93 -2.23 0.00 0.00 178.31 177.24 2wsb h GLU 208 N 0.67 0.55 -0.65 1.11 5.08 -1.46 -1.49 114.58 118.39 2wsb h GLU 208 Ca 0.15 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2wsb h GLU 208 Cb 0.28 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2wsb h GLU 208 CO 0.00 0.79 0.25 1.15 -1.00 0.00 0.00 179.01 180.20 2wsb h THR 209 N 0.47 1.24 -0.75 1.13 2.02 -1.58 -1.35 112.91 114.09 2wsb h THR 209 Ca 0.06 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2wsb h THR 209 Cb 0.76 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2wsb h THR 209 CO 0.06 0.30 0.49 -0.50 0.37 0.00 0.00 175.52 176.24 2wsb h TRP 210 N 0.92 0.93 -0.15 3.16 4.06 -0.76 -0.44 115.95 123.68 2wsb h TRP 210 Ca 0.22 0.02 -0.19 0.00 2.06 0.00 0.00 58.89 60.99 2wsb h TRP 210 Cb 0.22 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 2wsb h TRP 210 CO 0.01 0.58 -0.70 -0.07 -3.56 0.00 0.00 178.44 174.71 2wsb h LEU 211 N 1.00 0.73 -1.43 -4.49 3.38 -1.18 -2.74 115.31 110.58 2wsb h LEU 211 Ca 0.28 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2wsb h LEU 211 Cb -0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2wsb h LEU 211 CO -0.07 1.22 -0.01 -0.78 0.09 0.00 0.00 178.44 178.89 2wsb h ASP 212 N 0.44 0.32 -0.03 -0.43 3.58 -0.70 -1.92 116.42 117.68 2wsb h ASP 212 Ca -0.03 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2wsb h ASP 212 Cb 1.29 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2wsb h ASP 212 CO 0.13 0.39 0.00 0.23 -2.88 0.00 0.00 179.24 177.12 2wsb n MET 213 N -4.33 1.70 -3.84 0.28 2.81 -0.22 -4.76 117.12 108.76 2wsb n MET 213 Ca 0.00 -1.02 -0.36 0.00 -1.81 0.00 0.00 57.70 54.51 2wsb n MET 213 Cb 0.21 -1.47 -0.12 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.98 4.21 0.27 2.03 2.01 -0.72 -4.60 115.64 116.86 2wsb s THR 214 Ca 0.37 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 2wsb s THR 214 Cb 0.21 -2.95 0.26 0.00 0.01 0.00 0.00 72.50 70.03 2wsb s THR 214 CO 0.33 0.37 1.84 -0.65 -0.69 0.00 0.00 174.62 175.82 2wsb h PRO 215 N 7.99 0.97 0.00 4.92 0.11 -1.76 0.20 132.00 144.44 2wsb h PRO 215 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wsb h PRO 215 Cb 1.17 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wsb h PRO 215 CO 0.59 0.64 0.00 -1.33 -0.21 0.00 0.00 178.00 177.70 2wsb n MET 216 N -4.61 0.36 -1.32 1.05 2.81 -0.58 -4.91 117.12 109.92 2wsb n MET 216 Ca 0.17 0.06 -0.09 0.00 -1.81 0.00 0.00 57.70 56.02 2wsb n MET 216 Cb 0.28 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 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 0.74 1.01 3.37 3.03 0.00 0.72 -4.94 105.19 109.12 2wsb n GLY 217 Ca 0.12 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.87 1.07 0.75 1.61 1.70 -1.26 -4.93 118.95 115.02 2wsb s ARG 218 Ca 0.00 -0.40 -0.11 0.00 -0.47 0.00 0.00 55.73 54.75 2wsb s ARG 218 Cb 0.00 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 34.90 2wsb s ARG 218 CO 0.00 -0.41 1.08 0.00 -1.08 0.00 0.00 175.30 174.89 2wsb s GLY 220 N -3.59 2.11 0.28 0.00 0.00 0.33 -4.88 107.32 101.57 2wsb s GLY 220 Ca 0.60 0.13 -0.14 0.00 0.00 0.00 0.00 44.72 45.31 2wsb s GLY 220 CO 0.56 0.39 0.67 -0.54 0.00 0.00 0.00 173.10 174.17 2wsb s GLU 221 N -3.81 3.95 0.38 2.90 0.41 -1.26 -1.39 118.70 119.89 2wsb s GLU 221 Ca 0.58 0.55 0.13 0.00 -0.41 0.00 0.00 54.97 55.82 2wsb s GLU 221 Cb -0.10 -2.55 0.96 0.00 -1.78 0.00 0.00 34.13 30.66 2wsb s GLU 221 CO 0.27 0.23 1.84 -1.35 -0.49 0.00 0.00 175.26 175.77 2wsb h PRO 222 N 2.47 0.53 -0.03 0.39 0.11 -1.94 -0.23 132.00 133.29 2wsb h PRO 222 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2wsb h PRO 222 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wsb h PRO 222 CO 0.67 0.35 -0.08 0.66 -0.21 0.00 0.00 178.00 179.39 2wsb h SER 223 N 0.54 0.04 0.81 -2.05 4.64 -1.94 0.93 113.55 116.53 2wsb h SER 223 Ca 0.48 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.72 2wsb h SER 223 Cb 1.01 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2wsb h SER 223 CO -0.22 0.13 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.17 2wsb h GLU 224 N 0.05 0.00 0.16 4.77 5.08 -1.43 -0.46 114.58 122.75 2wsb h GLU 224 Ca 0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.05 2wsb h GLU 224 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wsb h GLU 224 CO 0.01 0.37 -1.60 0.82 -1.00 0.00 0.00 179.01 177.61 2wsb h ILE 225 N 0.00 1.10 -0.66 3.13 1.08 -1.22 -3.30 117.51 117.64 2wsb h ILE 225 Ca -0.00 -2.70 -0.05 0.00 -0.39 0.00 0.00 64.86 61.72 2wsb h ILE 225 Cb 0.87 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 37.39 2wsb h ILE 225 CO 0.05 0.83 0.21 0.00 -0.69 0.00 0.00 178.15 178.55 2wsb h ALA 226 N 0.33 1.12 -0.39 1.87 0.00 -0.69 -1.01 119.26 120.50 2wsb h ALA 226 Ca -0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2wsb h ALA 226 Cb 2.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2wsb h ALA 226 CO 0.18 0.61 0.01 0.00 0.00 0.00 0.00 179.25 180.05 2wsb h ALA 227 N 1.25 1.29 -0.40 0.00 0.00 -1.21 0.78 119.26 120.97 2wsb h ALA 227 Ca 0.22 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2wsb h ALA 227 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wsb h ALA 227 CO -0.01 0.48 -0.23 0.00 0.00 0.00 0.00 179.25 179.50 2wsb h ALA 228 N 1.43 0.85 -0.52 0.00 0.00 -1.48 -1.51 119.26 118.03 2wsb h ALA 228 Ca 0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2wsb h ALA 228 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wsb h ALA 228 CO 0.01 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 2wsb h ALA 229 N 1.05 0.71 -0.57 0.00 0.00 -0.75 -1.51 119.26 118.19 2wsb h ALA 229 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2wsb h ALA 229 Cb 0.75 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2wsb h ALA 229 CO 0.06 0.56 0.33 1.25 0.00 0.00 0.00 179.25 181.45 2wsb h LEU 230 N 0.82 0.70 -0.03 0.00 5.85 -0.70 0.46 115.31 122.41 2wsb h LEU 230 Ca 0.14 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2wsb h LEU 230 Cb 0.59 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2wsb h LEU 230 CO 0.04 0.57 -0.38 0.15 -0.34 0.00 0.00 178.44 178.48 2wsb h PHE 231 N 0.77 -1.07 0.00 1.25 3.57 -0.93 -1.62 116.94 118.92 2wsb h PHE 231 Ca 0.20 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 2wsb h PHE 231 Cb 0.01 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2wsb h PHE 231 CO -0.02 -0.46 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.30 2wsb h LEU 232 N -0.52 0.00 0.00 0.59 3.38 -0.87 -2.48 115.31 115.41 2wsb h LEU 232 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wsb h LEU 232 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wsb h LEU 232 CO -0.32 0.23 -0.07 0.00 0.09 0.00 0.00 178.44 178.38 2wsb h ALA 233 N 1.77 0.96 -1.97 1.53 0.00 -0.56 -3.44 119.26 117.55 2wsb h ALA 233 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 2wsb h ALA 233 Cb 0.44 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.29 2wsb h ALA 233 CO 0.03 0.00 0.03 -1.54 0.00 0.00 0.00 179.25 177.77 2wsb s SER 234 N -5.74 5.21 0.25 0.00 1.04 -0.64 -4.85 113.70 108.96 2wsb s SER 234 Ca 0.07 0.13 0.22 0.00 0.48 0.00 0.00 55.95 56.85 2wsb s SER 234 Cb 0.07 -0.99 0.97 0.00 0.10 0.00 0.00 66.02 66.18 2wsb s SER 234 CO 0.66 -1.22 1.66 -2.65 0.98 0.00 0.00 173.24 172.66 2wsb n PRO 235 N -2.47 0.16 0.18 4.02 -0.02 -1.21 -1.81 135.00 133.86 2wsb n PRO 235 Ca 0.07 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2wsb n PRO 235 Cb 0.60 -1.86 0.70 0.00 -0.02 0.00 0.00 33.50 32.92 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 2.21 2.09 -0.53 3.55 0.00 -1.61 -0.90 119.26 124.07 2wsb h ALA 236 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2wsb h ALA 236 Cb 0.25 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 2wsb h ALA 236 CO 0.00 -0.22 0.30 0.00 0.00 0.00 0.00 179.25 179.33 2wsb n ALA 237 N -2.53 4.11 0.33 0.00 0.00 -0.75 -4.65 120.51 117.02 2wsb n ALA 237 Ca 0.01 -1.58 0.22 0.00 0.00 0.00 0.00 53.44 52.09 2wsb n ALA 237 Cb 0.27 -1.22 1.18 0.00 0.00 0.00 0.00 19.45 19.67 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 0.99 0.00 -0.32 0.00 4.64 -1.33 0.31 113.55 117.84 2wsb h SER 238 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2wsb h SER 238 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2wsb h SER 238 CO 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 2wsb n TYR 239 N -3.20 1.00 -3.77 4.77 9.36 -1.26 -4.91 117.16 119.14 2wsb n TYR 239 Ca -0.03 -0.79 -0.37 0.00 3.32 0.00 0.00 57.90 60.03 2wsb n TYR 239 Cb 0.07 -0.28 -0.13 0.00 -0.63 0.00 0.00 39.34 38.37 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 -2.48 3.68 -0.03 2.97 1.01 0.10 -5.07 120.40 120.57 2wsb s VAL 240 Ca 0.41 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 2wsb s VAL 240 Cb 0.31 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2wsb s VAL 240 CO 0.11 -0.16 0.14 0.28 0.00 0.00 0.00 175.10 175.47 2wsb s THR 241 N 1.38 0.04 -0.46 3.92 -1.32 -1.26 -4.68 115.64 113.26 2wsb s THR 241 Ca -0.02 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 2wsb s THR 241 Cb -0.19 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.50 2wsb s THR 241 CO 0.02 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 2wsb n GLY 242 N 2.38 0.64 3.84 6.08 0.00 0.76 -4.96 105.19 113.92 2wsb n GLY 242 Ca -0.17 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.87 3.32 -0.35 4.61 0.00 -1.26 -4.75 121.76 121.47 2wsb s ALA 243 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 2wsb s ALA 243 Cb 0.00 -2.82 0.08 0.00 0.00 0.00 0.00 23.12 20.38 2wsb s ALA 243 CO 0.00 0.31 0.10 0.42 0.00 0.00 0.00 175.76 176.60 2wsb s ILE 244 N -1.86 3.22 -0.37 0.00 -1.09 -1.26 -1.07 121.20 118.77 2wsb s ILE 244 Ca 0.52 -1.66 -0.16 0.00 -2.23 0.00 0.00 60.65 57.12 2wsb s ILE 244 Cb -0.12 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2wsb s ILE 244 CO 0.18 -0.38 0.37 -0.22 -1.23 0.00 0.00 174.94 173.66 2wsb s LEU 245 N 1.22 4.64 0.07 2.97 2.96 -0.23 -4.90 118.68 125.40 2wsb s LEU 245 Ca 0.01 -0.44 -0.31 0.00 -0.22 0.00 0.00 54.13 53.17 2wsb s LEU 245 Cb -0.21 -2.32 -0.06 0.00 0.50 0.00 0.00 46.19 44.10 2wsb s LEU 245 CO -0.02 -0.42 1.27 0.00 -1.32 0.00 0.00 176.35 175.87 2wsb s ALA 246 N 2.00 3.47 -0.50 5.97 0.00 -1.26 -0.45 121.76 131.00 2wsb s ALA 246 Ca 0.11 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.05 2wsb s ALA 246 Cb -0.17 -3.49 0.21 0.00 0.00 0.00 0.00 23.12 19.67 2wsb s ALA 246 CO 0.12 -0.55 0.50 0.28 0.00 0.00 0.00 175.76 176.11 2wsb n VAL 247 N 4.03 0.08 -1.55 0.00 0.31 -0.74 -4.90 118.33 115.56 2wsb n VAL 247 Ca 0.10 -4.18 0.01 0.00 -0.01 0.00 0.00 64.34 60.26 2wsb n VAL 247 Cb 0.45 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.47 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 1.88 0.34 -0.75 4.52 5.68 -1.26 -1.10 116.55 125.86 2wsb n ASP 248 Ca 0.25 -1.86 -0.10 0.00 -0.50 0.00 0.00 54.79 52.59 2wsb n ASP 248 Cb 0.46 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.18 1.03 1.32 6.12 0.00 -1.26 -1.36 105.19 110.86 2wsb n GLY 249 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.73 0.20 -0.02 0.00 -1.26 -1.52 105.19 102.68 2wsb n GLY 250 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.18 -0.01 1.61 3.20 -1.47 0.28 116.97 120.40 2wsb h TYR 251 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wsb h TYR 251 Cb 0.00 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2wsb h TYR 251 CO 0.00 -0.18 0.00 0.25 -1.64 0.00 0.00 178.16 176.59 2wsb n THR 252 N -5.31 0.01 0.09 1.81 -2.24 -1.26 -3.33 114.28 104.05 2wsb n THR 252 Ca 0.05 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2wsb n THR 252 Cb 0.27 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.18 1.48 -0.01 2.28 2.07 -1.34 -3.52 116.25 117.40 2wsb h VAL 253 Ca 0.00 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.70 2wsb h VAL 253 Cb 0.04 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2wsb h VAL 253 CO 0.00 0.83 0.00 0.79 0.02 0.00 0.00 177.57 179.21