#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s LEU 2 N 0.00 -0.10 0.00 -0.89 2.96 -1.26 -5.03 118.68 114.36 2wdl s LEU 2 Ca 0.00 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 2wdl s LEU 2 Cb 0.00 1.17 0.00 0.00 0.50 0.00 0.00 46.19 47.86 2wdl s LEU 2 CO 0.00 -0.03 0.00 1.15 -1.32 0.00 0.00 176.35 176.15 2wdl n MET 3 N 2.50 0.00 -1.84 1.98 0.00 -1.26 -4.81 117.12 113.70 2wdl n MET 3 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.18 2wdl n MET 3 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.83 2wdl n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2wdl s PRO 4 N -2.00 2.88 0.25 3.17 0.04 -1.26 -4.90 135.00 133.19 2wdl s PRO 4 Ca 0.00 2.06 0.24 0.00 0.04 0.00 0.00 61.00 63.34 2wdl s PRO 4 Cb 0.00 -2.02 0.45 0.00 0.04 0.00 0.00 34.50 32.97 2wdl s PRO 4 CO 0.00 -1.34 1.51 0.00 0.04 0.00 0.00 177.00 177.21 2wdl h ARG 5 N 0.98 0.00 -3.09 4.56 3.08 -2.01 -3.45 114.38 114.45 2wdl h ARG 5 Ca -0.51 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.36 2wdl h ARG 5 Cb 1.31 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.09 2wdl h ARG 5 CO 0.55 0.00 -0.46 1.03 -1.07 0.00 0.00 179.97 180.02 2wdl s ARG 6 N -3.19 0.24 -0.05 0.04 0.52 -1.26 -5.14 118.95 110.12 2wdl s ARG 6 Ca 0.07 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2wdl s ARG 6 Cb 0.10 0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.61 2wdl s ARG 6 CO 0.68 -0.09 -0.01 -1.64 0.02 0.00 0.00 175.30 174.25 2wdl s MET 7 N 0.67 0.58 0.28 3.54 -1.94 -1.26 -5.01 119.30 116.15 2wdl s MET 7 Ca -0.04 0.03 0.02 0.00 -1.71 0.00 0.00 55.69 53.99 2wdl s MET 7 Cb -0.06 -0.76 0.62 0.00 2.01 0.00 0.00 34.83 36.65 2wdl s MET 7 CO -0.04 -0.17 1.79 0.87 -0.01 0.00 0.00 175.02 177.46 2wdl h LYS 8 N 7.57 0.75 -5.78 2.03 1.57 -2.03 -3.41 116.57 117.28 2wdl h LYS 8 Ca -0.33 -0.05 -0.59 0.00 -1.87 0.00 0.00 60.65 57.81 2wdl h LYS 8 Cb 1.14 -0.17 -0.30 0.00 0.08 0.00 0.00 32.23 32.98 2wdl h LYS 8 CO 0.40 0.50 -0.85 0.71 -0.57 0.00 0.00 179.45 179.64 2wdl s TYR 9 N -5.92 1.80 -0.01 -1.35 4.12 -1.26 -5.07 117.35 109.65 2wdl s TYR 9 Ca -0.12 -0.40 -0.22 0.00 0.02 0.00 0.00 57.07 56.35 2wdl s TYR 9 Cb 0.23 -1.17 -0.15 0.00 -1.52 0.00 0.00 41.96 39.35 2wdl s TYR 9 CO 0.80 -0.07 1.02 -0.09 0.02 0.00 0.00 175.55 177.22 2wdl h ARG 10 N 5.82 -0.45 -6.37 -0.62 2.43 -2.04 -3.45 114.38 109.70 2wdl h ARG 10 Ca -0.37 0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.16 2wdl h ARG 10 Cb 1.15 0.10 -0.19 0.00 -0.42 0.00 0.00 29.97 30.62 2wdl h ARG 10 CO 0.48 -0.13 -0.73 0.15 -1.51 0.00 0.00 179.97 178.22 2wdl s LYS 11 N -4.11 2.42 0.05 0.20 1.02 -1.26 -4.86 119.74 113.21 2wdl s LYS 11 Ca -0.13 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.07 2wdl s LYS 11 Cb 0.01 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 2wdl s LYS 11 CO 0.45 0.58 -0.04 1.14 -0.92 0.00 0.00 175.35 176.56 2wdl s GLN 12 N -1.42 0.58 1.04 1.68 -2.07 -1.26 -5.12 119.66 113.10 2wdl s GLN 12 Ca 0.16 -1.06 -0.15 0.00 -1.82 0.00 0.00 55.36 52.50 2wdl s GLN 12 Cb -0.11 0.03 0.08 0.00 -1.09 0.00 0.00 33.01 31.93 2wdl s GLN 12 CO 0.07 -0.06 0.29 1.04 -1.32 0.00 0.00 175.29 175.31 2wdl n GLN 13 N 0.57 -0.99 -0.08 9.60 6.02 -1.26 -4.93 117.38 126.31 2wdl n GLN 13 Ca -0.17 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 56.41 2wdl n GLN 13 Cb 0.59 -1.82 -0.11 0.00 1.02 0.00 0.00 30.24 29.91 2wdl n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdl h ARG 14 N -1.86 0.00 -3.12 -1.09 3.08 -2.01 -3.50 114.38 105.88 2wdl h ARG 14 Ca -0.49 0.00 0.27 0.00 0.07 0.00 0.00 59.98 59.83 2wdl h ARG 14 Cb 1.32 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.22 2wdl h ARG 14 CO 0.37 0.89 -1.10 0.41 -1.07 0.00 0.00 179.97 179.48 2wdl n GLY 15 N 1.56 -3.40 3.72 0.04 0.00 -1.26 -4.99 105.19 100.86 2wdl n GLY 15 Ca -0.17 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 2wdl n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdl n ARG 16 N -3.86 0.63 -4.56 1.61 0.63 -1.26 -5.12 116.66 104.74 2wdl n ARG 16 Ca -0.07 -3.01 -0.28 0.00 -0.92 0.00 0.00 57.85 53.56 2wdl n ARG 16 Cb 0.58 -0.18 -0.17 0.00 0.45 0.00 0.00 32.46 33.15 2wdl n ARG 16 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2wdl s LEU 17 N 0.00 1.75 0.33 6.15 1.43 -1.26 -5.14 118.68 121.95 2wdl s LEU 17 Ca 0.55 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 2wdl s LEU 17 Cb -0.04 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 2wdl s LEU 17 CO 0.35 0.03 0.12 -0.54 0.23 0.00 0.00 176.35 176.54 2wdl s LYS 18 N 0.87 2.34 0.00 1.70 -0.14 -1.26 -5.07 119.74 118.19 2wdl s LYS 18 Ca -0.09 -1.55 0.00 0.00 -1.36 0.00 0.00 55.97 52.97 2wdl s LYS 18 Cb -0.15 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 2wdl s LYS 18 CO 0.00 0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 2wdl n GLY 19 N -1.11 -3.64 5.45 -3.33 0.00 -1.26 -4.64 105.19 96.66 2wdl n GLY 19 Ca -0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2wdl n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl n ALA 20 N -3.00 0.00 0.00 4.61 0.00 -1.23 -4.80 120.51 116.10 2wdl n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdl n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdl n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wdl n THR 21 N 0.00 0.00 -0.22 0.00 -1.04 -1.26 -4.05 114.28 107.71 2wdl n THR 21 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wdl n THR 21 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2wdl n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2wdl n LYS 22 N 0.74 -0.13 -3.22 -2.82 5.02 -1.26 -4.69 118.16 111.80 2wdl n LYS 22 Ca 0.00 0.89 -0.10 0.00 -2.02 0.00 0.00 58.31 57.08 2wdl n LYS 22 Cb 0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 2wdl n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdl n GLY 23 N -1.28 2.23 1.34 0.72 0.00 -1.26 -4.93 105.19 102.00 2wdl n GLY 23 Ca 0.06 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2wdl n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 24 N -0.40 0.78 0.40 -0.02 0.00 -1.26 -4.83 105.19 99.86 2wdl n GLY 24 Ca -0.01 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.50 2wdl n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdl n ASP 25 N 1.34 1.32 -4.36 1.61 5.75 -1.26 -0.49 116.55 120.46 2wdl n ASP 25 Ca 0.00 -1.32 -0.19 0.00 -0.01 0.00 0.00 54.79 53.27 2wdl n ASP 25 Cb 0.20 0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.22 2wdl n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2wdl s TYR 26 N -2.12 1.71 0.04 2.11 -0.85 -1.26 -4.84 117.35 112.14 2wdl s TYR 26 Ca 0.35 -0.73 -0.28 0.00 -0.52 0.00 0.00 57.07 55.89 2wdl s TYR 26 Cb 0.21 -0.93 -0.17 0.00 0.38 0.00 0.00 41.96 41.45 2wdl s TYR 26 CO 0.38 0.20 1.45 0.28 -1.52 0.00 0.00 175.55 176.34 2wdl h VAL 27 N 2.46 0.56 -7.02 -3.49 2.07 -1.90 -3.47 116.25 105.46 2wdl h VAL 27 Ca -0.39 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 2wdl h VAL 27 Cb 1.22 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2wdl h VAL 27 CO 0.65 0.05 -0.14 0.00 0.02 0.00 0.00 177.57 178.15 2wdl n ALA 28 N -2.44 -1.21 0.00 1.67 0.00 -1.26 -4.28 120.51 112.99 2wdl n ALA 28 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wdl n ALA 28 Cb 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2wdl n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wdl n PHE 29 N -1.51 -0.64 -2.69 0.00 7.35 -1.26 -5.16 117.46 113.55 2wdl n PHE 29 Ca -0.02 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2wdl n PHE 29 Cb 0.08 0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.09 2wdl n PHE 29 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wdl n GLY 30 N -1.06 6.83 0.10 7.13 0.00 -1.26 -5.04 105.19 111.88 2wdl n GLY 30 Ca 0.00 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 2wdl n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdl n ASP 31 N 0.00 1.86 -4.52 1.61 8.00 -0.31 -4.98 116.55 118.21 2wdl n ASP 31 Ca 0.00 0.45 -0.30 0.00 0.71 0.00 0.00 54.79 55.65 2wdl n ASP 31 Cb 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 41.12 40.11 2wdl n ASP 31 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wdl n TYR 32 N -4.45 0.92 -3.86 1.24 4.02 -1.21 -4.34 117.16 109.49 2wdl n TYR 32 Ca -0.30 -2.32 -0.04 0.00 -0.01 0.00 0.00 57.90 55.23 2wdl n TYR 32 Cb 0.63 -0.32 0.02 0.00 -0.02 0.00 0.00 39.34 39.64 2wdl n TYR 32 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2wdl s GLY 33 N -3.66 0.11 -0.31 2.72 0.00 -0.90 -3.34 107.32 101.94 2wdl s GLY 33 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.40 2wdl s GLY 33 CO 0.02 1.72 0.10 -2.27 0.00 0.00 0.00 173.10 172.67 2wdl s LEU 34 N -3.30 2.21 0.52 0.66 2.96 -0.80 -2.60 118.68 118.34 2wdl s LEU 34 Ca 0.20 -1.62 -0.07 0.00 -0.22 0.00 0.00 54.13 52.41 2wdl s LEU 34 Cb -0.03 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 2wdl s LEU 34 CO 0.06 -0.41 0.86 0.54 -1.32 0.00 0.00 176.35 176.07 2wdl s VAL 35 N 1.62 4.85 0.17 1.68 0.11 -0.61 -1.65 120.40 126.57 2wdl s VAL 35 Ca 0.10 0.41 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 2wdl s VAL 35 Cb -0.17 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2wdl s VAL 35 CO -0.25 -0.94 0.28 0.00 -3.33 0.00 0.00 175.10 170.86 2wdl s ALA 36 N -2.87 3.91 0.00 1.54 0.00 0.51 -2.19 121.76 122.66 2wdl s ALA 36 Ca 0.50 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2wdl s ALA 36 Cb -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2wdl s ALA 36 CO 0.48 0.49 0.03 1.28 0.00 0.00 0.00 175.76 178.03 2wdl n LEU 37 N -0.66 0.06 -4.12 0.00 4.77 -0.28 -1.29 117.00 115.49 2wdl n LEU 37 Ca -0.07 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.32 2wdl n LEU 37 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2wdl n LEU 37 CO 0.47 0.02 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.56 2wdl s GLU 38 N -0.86 0.68 0.55 3.23 2.02 -1.25 -4.76 118.70 118.31 2wdl s GLU 38 Ca 0.00 -1.19 -0.05 0.00 0.02 0.00 0.00 54.97 53.75 2wdl s GLU 38 Cb 0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.19 2wdl s GLU 38 CO 0.00 -0.05 0.85 -1.25 0.02 0.00 0.00 175.26 174.84 2wdl s PRO 39 N -3.49 3.16 0.00 0.39 0.04 -1.26 -4.13 135.00 129.71 2wdl s PRO 39 Ca 0.06 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.17 2wdl s PRO 39 Cb 0.04 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2wdl s PRO 39 CO -0.06 -0.51 0.00 0.00 0.04 0.00 0.00 177.00 176.47 2wdl n ALA 40 N -2.45 0.00 -2.51 8.56 0.00 -0.72 -5.00 120.51 118.39 2wdl n ALA 40 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 2wdl n ALA 40 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 2wdl n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wdl s TRP 41 N -2.00 3.23 -0.28 0.00 0.51 -1.26 -1.93 118.94 117.20 2wdl s TRP 41 Ca 0.00 -0.34 -0.20 0.00 -2.12 0.00 0.00 56.10 53.44 2wdl s TRP 41 Cb 0.00 -2.53 -0.01 0.00 -0.81 0.00 0.00 33.47 30.12 2wdl s TRP 41 CO 0.00 -0.45 0.61 0.42 -0.51 0.00 0.00 176.95 177.02 2wdl s ILE 42 N 1.72 4.98 0.50 2.03 1.09 0.23 -4.85 121.20 126.90 2wdl s ILE 42 Ca 0.06 0.92 -0.22 0.00 -1.10 0.00 0.00 60.65 60.31 2wdl s ILE 42 Cb -0.18 -3.95 -0.06 0.00 -1.06 0.00 0.00 42.46 37.21 2wdl s ILE 42 CO 0.10 -0.06 1.17 0.42 -0.10 0.00 0.00 174.94 176.48 2wdl s THR 43 N 2.52 3.01 0.56 2.92 -4.23 -1.26 0.06 115.64 119.22 2wdl s THR 43 Ca 0.24 0.71 0.30 0.00 -1.18 0.00 0.00 61.69 61.76 2wdl s THR 43 Cb -0.15 -3.34 0.35 0.00 1.34 0.00 0.00 72.50 70.70 2wdl s THR 43 CO 0.10 -0.06 2.23 0.00 -0.54 0.00 0.00 174.62 176.36 2wdl h ALA 44 N 1.68 1.46 0.00 3.99 0.00 -1.72 -0.29 119.26 124.39 2wdl h ALA 44 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2wdl h ALA 44 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wdl h ALA 44 CO 0.59 0.03 0.00 -0.56 0.00 0.00 0.00 179.25 179.30 2wdl h GLN 45 N 0.00 0.00 0.14 0.00 -0.00 -1.91 0.17 115.11 113.51 2wdl h GLN 45 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 2wdl h GLN 45 Cb 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.56 2wdl h GLN 45 CO 0.00 0.00 -0.89 1.96 -0.00 0.00 0.00 178.83 179.90 2wdl h GLN 46 N 0.00 0.30 0.26 0.06 4.20 -1.41 -2.72 115.11 115.80 2wdl h GLN 46 Ca 0.00 -0.51 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 2wdl h GLN 46 Cb 0.75 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2wdl h GLN 46 CO 0.00 1.25 -0.14 0.82 -0.67 0.00 0.00 178.83 180.09 2wdl h ILE 47 N -0.35 0.00 0.00 2.54 2.04 -1.13 0.11 117.51 120.72 2wdl h ILE 47 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2wdl h ILE 47 Cb 1.67 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2wdl h ILE 47 CO 0.15 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.51 2wdl n GLU 48 N -3.04 0.00 -0.08 2.37 4.07 0.57 0.12 120.64 124.66 2wdl n GLU 48 Ca -0.04 0.26 -0.13 0.00 -0.06 0.00 0.00 57.16 57.19 2wdl n GLU 48 Cb 0.14 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.88 2wdl n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdl n ALA 49 N -1.26 1.42 0.08 4.31 0.00 -0.90 -2.72 120.51 121.44 2wdl n ALA 49 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 53.44 52.30 2wdl n ALA 49 Cb 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 2wdl n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdl h ALA 50 N 0.67 0.49 0.02 0.00 0.00 0.16 -2.71 119.26 117.89 2wdl h ALA 50 Ca -0.50 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 53.61 2wdl h ALA 50 Cb 2.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2wdl h ALA 50 CO 0.02 1.04 -0.12 -0.09 0.00 0.00 0.00 179.25 180.09 2wdl h ARG 51 N 0.00 0.05 -0.68 0.00 2.43 -0.48 -1.10 114.38 114.60 2wdl h ARG 51 Ca -0.02 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2wdl h ARG 51 Cb 1.64 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 31.14 2wdl h ARG 51 CO 0.10 1.02 0.29 0.28 -1.51 0.00 0.00 179.97 180.14 2wdl h VAL 52 N -0.88 0.76 -0.22 0.20 2.07 -1.62 0.90 116.25 117.46 2wdl h VAL 52 Ca -0.02 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wdl h VAL 52 Cb 1.07 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2wdl h VAL 52 CO 0.02 0.09 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 2wdl h ALA 53 N 1.46 1.39 0.24 1.67 0.00 -1.53 -2.20 119.26 120.29 2wdl h ALA 53 Ca 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wdl h ALA 53 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2wdl h ALA 53 CO -0.33 0.42 -0.49 1.98 0.00 0.00 0.00 179.25 180.83 2wdl h MET 54 N 0.34 -0.76 0.05 0.00 -1.53 0.53 -1.17 114.93 112.38 2wdl h MET 54 Ca 0.07 0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.38 2wdl h MET 54 Cb 0.42 0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.64 2wdl h MET 54 CO 0.02 -0.51 -0.02 -0.39 0.14 0.00 0.00 176.91 176.15 2wdl h VAL 55 N -0.79 0.97 -0.84 -5.77 -1.51 -1.44 -2.79 116.25 104.08 2wdl h VAL 55 Ca -0.02 -0.06 0.16 0.00 -1.23 0.00 0.00 66.70 65.54 2wdl h VAL 55 Cb 0.75 1.02 -0.16 0.00 -2.13 0.00 0.00 31.29 30.77 2wdl h VAL 55 CO -0.20 0.02 -0.23 0.54 -1.23 0.00 0.00 177.57 176.47 2wdl n ARG 56 N -5.10 -0.09 0.04 5.19 5.12 -0.83 0.14 116.66 121.12 2wdl n ARG 56 Ca -0.08 1.31 -0.02 0.00 -1.93 0.00 0.00 57.85 57.14 2wdl n ARG 56 Cb 0.07 -1.96 -0.01 0.00 -1.16 0.00 0.00 32.46 29.40 2wdl n ARG 56 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wdl h HIS 57 N 0.00 -0.12 -1.61 -1.55 2.76 -0.94 -2.98 115.15 110.70 2wdl h HIS 57 Ca 0.39 -0.00 -0.72 0.00 -2.20 0.00 0.00 60.37 57.84 2wdl h HIS 57 Cb 0.60 0.04 -0.20 0.00 1.55 0.00 0.00 27.41 29.40 2wdl h HIS 57 CO -0.66 -0.06 1.34 1.97 -1.30 0.00 0.00 177.93 179.21 2wdl n PHE 58 N -2.44 2.50 -1.71 5.26 1.16 -0.33 -4.99 117.46 116.92 2wdl n PHE 58 Ca -0.01 -2.47 -0.58 0.00 -1.87 0.00 0.00 57.45 52.52 2wdl n PHE 58 Cb 0.04 -1.43 -0.07 0.00 -1.61 0.00 0.00 39.48 36.41 2wdl n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wdl n ARG 59 N 0.61 1.10 -1.48 3.97 1.85 0.37 0.20 116.66 123.27 2wdl n ARG 59 Ca 0.54 0.40 -0.01 0.00 -1.00 0.00 0.00 57.85 57.77 2wdl n ARG 59 Cb 0.31 -2.08 -0.00 0.00 -1.05 0.00 0.00 32.46 29.64 2wdl n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdl n ARG 60 N 5.14 -0.11 0.00 2.89 1.74 -1.26 -5.04 116.66 120.02 2wdl n ARG 60 Ca 0.26 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2wdl n ARG 60 Cb 0.12 -3.91 0.00 0.00 -1.02 0.00 0.00 32.46 27.66 2wdl n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdl n GLY 61 N -2.02 1.44 3.96 -0.13 0.00 0.13 -5.10 105.19 103.47 2wdl n GLY 61 Ca -0.02 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 2wdl n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdl s GLY 62 N 0.00 1.78 0.56 -0.02 0.00 -1.25 -5.01 107.32 103.37 2wdl s GLY 62 Ca 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 2wdl s GLY 62 CO 0.00 -0.73 1.14 1.25 0.00 0.00 0.00 173.10 174.77 2wdl s LYS 63 N -5.62 3.24 -0.08 2.90 2.20 -1.02 -4.81 119.74 116.57 2wdl s LYS 63 Ca 0.72 1.64 0.04 0.00 -0.36 0.00 0.00 55.97 58.01 2wdl s LYS 63 Cb -0.04 -1.99 -0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2wdl s LYS 63 CO 0.50 -0.94 -0.22 0.42 -0.36 0.00 0.00 175.35 174.75 2wdl s ILE 64 N -1.78 1.85 -0.15 5.43 1.01 -1.26 -2.43 121.20 123.86 2wdl s ILE 64 Ca 0.73 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 2wdl s ILE 64 Cb -0.25 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2wdl s ILE 64 CO 0.29 0.52 -0.06 -0.36 0.00 0.00 0.00 174.94 175.32 2wdl s PHE 65 N 0.19 2.96 -0.69 3.97 0.08 0.16 -5.00 117.98 119.65 2wdl s PHE 65 Ca -0.12 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.48 2wdl s PHE 65 Cb -0.16 -1.94 0.17 0.00 -0.57 0.00 0.00 43.02 40.53 2wdl s PHE 65 CO 0.06 -0.13 0.50 0.96 -0.10 0.00 0.00 175.22 176.51 2wdl s ILE 66 N 0.46 3.57 0.00 0.64 -4.36 -1.26 -1.92 121.20 118.32 2wdl s ILE 66 Ca -0.05 -3.45 0.00 0.00 -0.26 0.00 0.00 60.65 56.89 2wdl s ILE 66 Cb -0.15 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.25 2wdl s ILE 66 CO 0.03 -0.94 1.39 0.54 0.24 0.00 0.00 174.94 176.20 2wdl n ARG 67 N 2.91 0.84 -3.75 0.37 1.74 0.18 -4.72 116.66 114.23 2wdl n ARG 67 Ca 0.12 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.07 2wdl n ARG 67 Cb 0.36 -1.08 -0.09 0.00 -1.02 0.00 0.00 32.46 30.63 2wdl n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wdl s ILE 68 N 0.26 0.04 -0.01 0.55 -4.36 -1.26 -4.76 121.20 111.67 2wdl s ILE 68 Ca 0.00 -0.37 0.02 0.00 -0.26 0.00 0.00 60.65 60.04 2wdl s ILE 68 Cb 0.00 -0.61 -0.00 0.00 1.25 0.00 0.00 42.46 43.10 2wdl s ILE 68 CO 0.00 -0.20 -0.05 0.12 0.24 0.00 0.00 174.94 175.05 2wdl s PHE 69 N -1.04 0.48 -0.96 1.37 5.36 -1.26 -5.07 117.98 116.86 2wdl s PHE 69 Ca -0.11 -0.09 -0.24 0.00 -0.96 0.00 0.00 56.93 55.53 2wdl s PHE 69 Cb -0.05 -0.34 0.04 0.00 -0.34 0.00 0.00 43.02 42.34 2wdl s PHE 69 CO 0.04 -0.03 1.46 -1.25 -1.46 0.00 0.00 175.22 173.97 2wdl s PRO 70 N 0.02 3.46 -0.11 10.12 0.04 -1.26 -4.12 135.00 143.14 2wdl s PRO 70 Ca 0.00 -0.91 0.16 0.00 0.04 0.00 0.00 61.00 60.29 2wdl s PRO 70 Cb -0.04 -5.15 -0.23 0.00 0.04 0.00 0.00 34.50 29.13 2wdl s PRO 70 CO -0.00 -2.27 0.18 -0.40 0.04 0.00 0.00 177.00 174.54 2wdl n ASP 71 N 9.30 0.96 -4.71 6.66 5.75 -1.19 -4.04 116.55 129.28 2wdl n ASP 71 Ca 0.29 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.65 2wdl n ASP 71 Cb 0.50 1.24 -0.03 0.00 -1.03 0.00 0.00 41.12 41.80 2wdl n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wdl s LYS 72 N -2.70 4.52 0.01 0.11 2.20 -0.86 -4.90 119.74 118.12 2wdl s LYS 72 Ca -0.07 1.27 -0.26 0.00 -0.36 0.00 0.00 55.97 56.54 2wdl s LYS 72 Cb 0.07 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2wdl s LYS 72 CO 0.69 -0.02 0.81 -2.14 -0.36 0.00 0.00 175.35 174.34 2wdl s PRO 73 N 0.96 4.51 -0.09 4.03 0.02 -1.26 0.38 135.00 143.54 2wdl s PRO 73 Ca 0.48 1.12 -0.20 0.00 0.02 0.00 0.00 61.00 62.42 2wdl s PRO 73 Cb -0.20 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 2wdl s PRO 73 CO 0.25 0.14 0.57 -0.47 -0.33 0.00 0.00 177.00 177.15 2wdl s TYR 74 N 0.44 3.55 -0.12 6.54 5.04 0.34 -4.75 117.35 128.40 2wdl s TYR 74 Ca 0.42 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 56.11 2wdl s TYR 74 Cb -0.20 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.46 2wdl s TYR 74 CO 0.23 0.16 -0.17 0.99 -1.34 0.00 0.00 175.55 175.42 2wdl s THR 75 N 0.61 2.67 -0.08 4.34 2.01 -1.26 0.36 115.64 124.29 2wdl s THR 75 Ca 0.31 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 2wdl s THR 75 Cb -0.16 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.30 2wdl s THR 75 CO 0.14 0.54 0.18 -0.75 -0.69 0.00 0.00 174.62 174.03 2wdl s LYS 76 N 0.35 0.13 0.57 4.92 2.20 -1.05 -4.93 119.74 121.92 2wdl s LYS 76 Ca -0.14 0.43 -0.18 0.00 -0.36 0.00 0.00 55.97 55.72 2wdl s LYS 76 Cb -0.17 -0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 35.94 2wdl s LYS 76 CO 0.07 -0.17 1.11 0.15 -0.36 0.00 0.00 175.35 176.15 2wdl s LYS 77 N 1.25 3.28 0.40 4.03 1.02 -1.26 -4.05 119.74 124.40 2wdl s LYS 77 Ca -0.09 1.51 -0.24 0.00 0.02 0.00 0.00 55.97 57.17 2wdl s LYS 77 Cb -0.11 -2.00 -0.12 0.00 -0.52 0.00 0.00 37.83 35.07 2wdl s LYS 77 CO -0.07 -0.89 0.68 -2.30 -0.92 0.00 0.00 175.35 171.85 2wdl n PRO 78 N -1.56 0.76 -1.77 -1.68 -0.02 -1.26 -4.85 135.00 124.62 2wdl n PRO 78 Ca 0.11 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2wdl n PRO 78 Cb 0.51 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 32.37 2wdl n PRO 78 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdl n LEU 79 N 1.14 4.64 -0.12 2.45 0.00 -1.26 -2.90 117.00 120.95 2wdl n LEU 79 Ca 0.11 1.20 -0.02 0.00 0.00 0.00 0.00 56.01 57.31 2wdl n LEU 79 Cb 0.38 -1.61 -0.01 0.00 0.00 0.00 0.00 43.42 42.18 2wdl n LEU 79 CO 0.56 0.15 -0.02 1.21 0.00 0.00 0.00 177.39 179.29 2wdl n GLU 80 N 1.00 -0.55 -3.46 1.96 2.13 -1.26 -5.03 120.64 115.43 2wdl n GLU 80 Ca 0.04 0.29 -0.21 0.00 0.66 0.00 0.00 57.16 57.94 2wdl n GLU 80 Cb 0.38 -3.82 -0.01 0.00 0.27 0.00 0.00 31.44 28.26 2wdl n GLU 80 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2wdl s VAL 81 N -1.84 4.44 0.70 6.31 -7.23 -1.14 -5.11 120.40 116.53 2wdl s VAL 81 Ca 0.00 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2wdl s VAL 81 Cb 0.00 -3.58 0.13 0.00 0.56 0.00 0.00 36.38 33.48 2wdl s VAL 81 CO 0.00 -0.28 0.97 0.00 -0.31 0.00 0.00 175.10 175.48 2wdl s ARG 82 N -4.24 1.74 1.13 4.82 1.70 -1.26 -5.02 118.95 117.82 2wdl s ARG 82 Ca 0.43 -1.22 -0.13 0.00 -0.47 0.00 0.00 55.73 54.34 2wdl s ARG 82 Cb -0.10 -2.38 0.27 0.00 -0.57 0.00 0.00 34.95 32.17 2wdl s ARG 82 CO 0.33 -1.39 1.04 -1.64 -1.08 0.00 0.00 175.30 172.56 2wdl s MET 83 N -5.08 -0.67 2.28 3.89 -1.94 -1.26 -4.94 119.30 111.58 2wdl s MET 83 Ca 0.66 0.84 0.00 0.00 -1.71 0.00 0.00 55.69 55.48 2wdl s MET 83 Cb -0.05 -1.58 0.00 0.00 2.01 0.00 0.00 34.83 35.21 2wdl s MET 83 CO 0.44 -3.56 0.00 0.41 -0.01 0.00 0.00 175.02 172.30 2wdl n GLY 84 N 0.54 -0.37 2.57 -0.03 0.00 -1.26 -4.97 105.19 101.66 2wdl n GLY 84 Ca 0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2wdl n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdl n LYS 85 N -1.15 -4.17 0.00 1.61 4.76 -1.26 -4.88 118.16 113.06 2wdl n LYS 85 Ca 0.00 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 2wdl n LYS 85 Cb 0.00 -4.32 0.00 0.00 -1.84 0.00 0.00 35.03 28.87 2wdl n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdl n GLY 86 N -1.27 0.78 3.76 0.72 0.00 -1.26 -4.96 105.19 102.97 2wdl n GLY 86 Ca -0.03 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 2wdl n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdl s LYS 87 N -2.67 4.70 1.13 1.61 2.20 -1.26 -5.02 119.74 120.43 2wdl s LYS 87 Ca 0.00 1.45 -0.13 0.00 -0.36 0.00 0.00 55.97 56.93 2wdl s LYS 87 Cb 0.00 -3.04 0.26 0.00 -1.51 0.00 0.00 37.83 33.54 2wdl s LYS 87 CO 0.00 0.37 1.04 0.20 -0.36 0.00 0.00 175.35 176.60 2wdl s GLY 88 N -1.36 1.54 1.09 5.54 0.00 -1.26 -5.03 107.32 107.84 2wdl s GLY 88 Ca 0.46 -0.25 -0.18 0.00 0.00 0.00 0.00 44.72 44.74 2wdl s GLY 88 CO 0.29 0.45 1.26 1.16 0.00 0.00 0.00 173.10 176.26 2wdl n ASN 89 N -4.74 -0.75 -4.77 1.64 0.23 -1.26 -4.69 115.26 100.93 2wdl n ASN 89 Ca 0.03 -1.37 -0.38 0.00 -0.53 0.00 0.00 54.58 52.33 2wdl n ASN 89 Cb 0.55 -1.03 -0.06 0.00 -2.08 0.00 0.00 39.78 37.17 2wdl n ASN 89 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2wdl s VAL 90 N -3.59 5.09 -0.18 3.53 1.01 -1.26 -2.53 120.40 122.47 2wdl s VAL 90 Ca 0.75 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.65 2wdl s VAL 90 Cb -0.04 -3.78 -0.22 0.00 0.00 0.00 0.00 36.38 32.35 2wdl s VAL 90 CO 0.54 0.44 0.09 -0.62 0.00 0.00 0.00 175.10 175.55 2wdl n GLU 91 N 2.82 0.70 -3.02 2.72 -0.58 0.16 -4.93 120.64 118.50 2wdl n GLU 91 Ca -0.10 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2wdl n GLU 91 Cb 0.52 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2wdl n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdl n GLY 92 N 2.06 -0.63 3.28 0.62 0.00 -1.21 -4.98 105.19 104.33 2wdl n GLY 92 Ca -0.37 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 2wdl n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdl s TYR 93 N -3.00 1.40 0.03 1.61 1.51 -1.26 0.13 117.35 117.76 2wdl s TYR 93 Ca 0.00 -0.73 -0.10 0.00 -1.01 0.00 0.00 57.07 55.23 2wdl s TYR 93 Cb 0.00 -0.70 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2wdl s TYR 93 CO 0.00 0.14 0.21 0.14 -1.11 0.00 0.00 175.55 174.93 2wdl s VAL 94 N -3.25 0.10 -0.09 0.71 -7.23 0.16 -1.87 120.40 108.93 2wdl s VAL 94 Ca 0.19 -0.79 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2wdl s VAL 94 Cb 0.02 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 2wdl s VAL 94 CO 0.03 -0.44 0.11 0.00 -0.31 0.00 0.00 175.10 174.49 2wdl s ALA 95 N -2.19 3.73 -0.72 1.32 0.00 0.11 -2.03 121.76 121.98 2wdl s ALA 95 Ca -0.08 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 2wdl s ALA 95 Cb -0.03 -1.82 0.11 0.00 0.00 0.00 0.00 23.12 21.38 2wdl s ALA 95 CO -0.02 0.63 0.91 0.08 0.00 0.00 0.00 175.76 177.36 2wdl s VAL 96 N -1.04 4.68 -0.05 0.00 1.01 -1.26 -0.60 120.40 123.14 2wdl s VAL 96 Ca 0.16 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 2wdl s VAL 96 Cb -0.12 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 2wdl s VAL 96 CO 0.06 -1.33 0.52 -0.69 0.00 0.00 0.00 175.10 173.66 2wdl s VAL 97 N 2.99 5.03 0.35 2.92 1.01 -0.81 -4.99 120.40 126.89 2wdl s VAL 97 Ca 0.21 1.07 0.09 0.00 0.00 0.00 0.00 61.98 63.35 2wdl s VAL 97 Cb -0.16 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2wdl s VAL 97 CO 0.02 0.41 0.08 -0.54 0.00 0.00 0.00 175.10 175.07 2wdl s LYS 98 N -0.03 2.21 -0.18 2.72 1.02 -1.26 -1.75 119.74 122.47 2wdl s LYS 98 Ca 0.28 -1.68 -0.28 0.00 0.02 0.00 0.00 55.97 54.31 2wdl s LYS 98 Cb -0.17 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.05 2wdl s LYS 98 CO 0.14 0.10 2.19 -2.14 -0.92 0.00 0.00 175.35 174.72 2wdl s PRO 99 N -3.78 3.28 0.00 -1.68 0.02 -1.26 -2.43 135.00 129.14 2wdl s PRO 99 Ca 0.36 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2wdl s PRO 99 Cb -0.01 -4.34 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2wdl s PRO 99 CO 0.21 -1.94 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 2wdl n GLY 100 N 5.58 2.02 3.75 0.52 0.00 -0.41 -3.48 105.19 113.17 2wdl n GLY 100 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 2wdl n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdl s ARG 101 N 0.00 4.39 -0.44 1.61 6.06 -1.02 -4.36 118.95 125.18 2wdl s ARG 101 Ca 0.00 2.10 -0.21 0.00 -2.50 0.00 0.00 55.73 55.13 2wdl s ARG 101 Cb 0.00 -3.15 0.03 0.00 0.06 0.00 0.00 34.95 31.88 2wdl s ARG 101 CO 0.00 -0.21 0.64 0.08 -2.50 0.00 0.00 175.30 173.31 2wdl s VAL 102 N -0.35 4.83 -0.08 7.11 1.01 0.35 -0.37 120.40 132.91 2wdl s VAL 102 Ca 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 2wdl s VAL 102 Cb -0.38 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 2wdl s VAL 102 CO 0.43 -0.61 -0.03 0.24 0.00 0.00 0.00 175.10 175.13 2wdl h MET 103 N 8.89 0.00 -6.19 2.72 0.00 -1.61 -3.41 114.93 115.33 2wdl h MET 103 Ca -0.26 0.00 -0.54 0.00 0.00 0.00 0.00 59.70 58.91 2wdl h MET 103 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.67 2wdl h MET 103 CO 0.90 0.00 -0.25 -0.06 0.00 0.00 0.00 176.91 177.49 2wdl s PHE 104 N -1.52 1.77 0.00 -0.22 2.99 -1.25 0.49 117.98 120.25 2wdl s PHE 104 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 56.93 56.17 2wdl s PHE 104 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 43.02 40.97 2wdl s PHE 104 CO 0.04 -0.61 0.00 -0.85 -0.00 0.00 0.00 175.22 173.79 2wdl n GLU 105 N -1.87 0.00 -1.68 0.44 0.28 -0.81 -1.90 120.64 115.10 2wdl n GLU 105 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.96 2wdl n GLU 105 Cb 0.63 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.53 2wdl n GLU 105 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2wdl n VAL 106 N -0.01 0.00 0.00 3.84 0.24 -1.21 -0.66 118.33 120.52 2wdl n VAL 106 Ca 0.00 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2wdl n VAL 106 Cb 0.00 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 2wdl n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdl n ALA 107 N -2.80 0.00 -1.10 2.33 0.00 -1.02 -1.16 120.51 116.76 2wdl n ALA 107 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2wdl n ALA 107 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 2wdl n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 108 N -0.04 0.59 3.41 0.00 0.00 -1.26 -2.42 105.19 105.46 2wdl n GLY 108 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 2wdl n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 109 N -1.89 1.86 0.44 1.61 1.01 -1.26 -3.95 120.40 118.22 2wdl s VAL 109 Ca 0.00 -2.21 -0.23 0.00 0.00 0.00 0.00 61.98 59.53 2wdl s VAL 109 Cb 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 2wdl s VAL 109 CO 0.00 -0.44 1.13 0.42 0.00 0.00 0.00 175.10 176.21 2wdl s THR 110 N -2.89 3.30 -0.43 3.92 -4.23 -1.26 -4.87 115.64 109.18 2wdl s THR 110 Ca 0.27 0.98 0.18 0.00 -1.18 0.00 0.00 61.69 61.94 2wdl s THR 110 Cb 0.00 -3.50 0.18 0.00 1.34 0.00 0.00 72.50 70.52 2wdl s THR 110 CO 0.11 -0.01 1.56 -1.84 -0.54 0.00 0.00 174.62 173.90 2wdl n GLU 111 N -0.35 0.12 -0.01 3.99 0.28 -1.26 -1.25 120.64 122.17 2wdl n GLU 111 Ca 0.06 0.55 -0.17 0.00 -0.16 0.00 0.00 57.16 57.45 2wdl n GLU 111 Cb 0.48 -1.85 -0.13 0.00 1.43 0.00 0.00 31.44 31.38 2wdl n GLU 111 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2wdl h GLU 112 N 0.00 0.20 0.00 3.44 4.81 -2.01 -3.13 114.58 117.90 2wdl h GLU 112 Ca 0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2wdl h GLU 112 Cb 0.09 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2wdl h GLU 112 CO 0.00 1.07 -0.11 1.96 -0.73 0.00 0.00 179.01 181.20 2wdl h GLN 113 N -0.53 0.00 0.21 1.92 4.20 -1.54 -2.96 115.11 116.41 2wdl h GLN 113 Ca -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2wdl h GLN 113 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2wdl h GLN 113 CO 0.08 0.11 -0.10 0.00 -0.67 0.00 0.00 178.83 178.25 2wdl h ALA 114 N 1.89 -0.28 -0.56 3.87 0.00 -1.28 0.20 119.26 123.11 2wdl h ALA 114 Ca -0.00 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.81 2wdl h ALA 114 Cb 0.70 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2wdl h ALA 114 CO 0.01 -0.37 0.05 0.52 0.00 0.00 0.00 179.25 179.46 2wdl h MET 115 N -0.86 0.16 -0.03 0.00 2.86 -1.56 0.22 114.93 115.72 2wdl h MET 115 Ca -0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2wdl h MET 115 Cb 0.51 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2wdl h MET 115 CO 0.05 0.11 -0.01 1.49 1.06 0.00 0.00 176.91 179.60 2wdl h GLU 116 N 0.17 0.05 0.30 1.72 4.57 -1.58 -1.50 114.58 118.32 2wdl h GLU 116 Ca 0.29 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2wdl h GLU 116 Cb 0.44 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2wdl h GLU 116 CO -0.43 0.46 -0.45 0.00 -1.18 0.00 0.00 179.01 177.41 2wdl h ALA 117 N 0.60 -1.04 0.20 2.92 0.00 0.19 -1.36 119.26 120.77 2wdl h ALA 117 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wdl h ALA 117 Cb 0.44 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2wdl h ALA 117 CO 0.00 -1.10 -0.33 -0.07 0.00 0.00 0.00 179.25 177.76 2wdl h LEU 118 N -0.78 -0.93 -0.92 0.00 3.38 -0.68 -2.13 115.31 113.25 2wdl h LEU 118 Ca -0.03 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.28 2wdl h LEU 118 Cb 0.72 0.34 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 2wdl h LEU 118 CO -0.13 -0.44 0.09 -0.09 0.09 0.00 0.00 178.44 177.97 2wdl h ARG 119 N -0.61 0.07 -0.38 1.13 2.43 -1.11 1.69 114.38 117.60 2wdl h ARG 119 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2wdl h ARG 119 Cb 0.60 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2wdl h ARG 119 CO -0.14 0.05 0.19 0.82 -1.51 0.00 0.00 179.97 179.37 2wdl h ILE 120 N 0.07 1.13 -0.31 1.20 1.08 -0.61 -2.64 117.51 117.43 2wdl h ILE 120 Ca 0.57 -0.35 -0.18 0.00 -0.39 0.00 0.00 64.86 64.50 2wdl h ILE 120 Cb 1.16 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2wdl h ILE 120 CO -0.81 0.15 -0.52 0.00 -0.69 0.00 0.00 178.15 176.28 2wdl h ALA 121 N 1.69 0.48 0.00 1.87 0.00 0.30 -2.84 119.26 120.76 2wdl h ALA 121 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wdl h ALA 121 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wdl h ALA 121 CO -0.02 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2wdl n GLY 122 N 0.33 -0.68 0.10 0.00 0.00 -0.51 -0.18 105.19 104.25 2wdl n GLY 122 Ca -0.04 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2wdl n GLY 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wdl h HIS 123 N 0.00 0.39 0.00 1.61 -0.00 -1.47 -3.17 115.15 112.51 2wdl h HIS 123 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 2wdl h HIS 123 Cb 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 2wdl h HIS 123 CO 0.00 1.26 0.00 1.63 -0.00 0.00 0.00 177.93 180.82 2wdl n LYS 124 N -3.46 0.17 -3.94 2.45 4.76 0.75 -4.75 118.16 114.14 2wdl n LYS 124 Ca -0.10 0.16 -0.35 0.00 -2.87 0.00 0.00 58.31 55.15 2wdl n LYS 124 Cb 1.02 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 32.41 2wdl n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdl s LEU 125 N -4.03 4.01 0.00 -0.35 1.43 -0.89 -4.86 118.68 113.99 2wdl s LEU 125 Ca 0.11 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2wdl s LEU 125 Cb 0.14 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2wdl s LEU 125 CO 0.55 0.24 0.22 -0.81 0.23 0.00 0.00 176.35 176.78 2wdl n PRO 126 N 3.13 0.31 -4.21 1.29 -0.04 -1.26 -4.76 135.00 129.46 2wdl n PRO 126 Ca -0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2wdl n PRO 126 Cb 0.53 -1.09 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 2wdl n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wdl s ILE 127 N -1.42 0.63 0.06 0.52 -4.36 -1.26 -5.09 121.20 110.27 2wdl s ILE 127 Ca 0.00 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 2wdl s ILE 127 Cb 0.00 -1.98 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 2wdl s ILE 127 CO 0.00 -0.60 1.10 -0.54 0.24 0.00 0.00 174.94 175.14 2wdl s LYS 128 N -3.90 4.51 0.48 0.37 -0.14 -1.26 -4.93 119.74 114.86 2wdl s LYS 128 Ca 0.20 1.62 0.03 0.00 -1.36 0.00 0.00 55.97 56.46 2wdl s LYS 128 Cb 0.06 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.80 2wdl s LYS 128 CO 0.01 -0.12 0.01 0.95 -0.76 0.00 0.00 175.35 175.44 2wdl s THR 129 N 0.83 1.36 0.06 2.17 -4.23 -1.26 -1.12 115.64 113.44 2wdl s THR 129 Ca 0.55 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.91 2wdl s THR 129 Cb -0.26 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.22 2wdl s THR 129 CO 0.29 0.00 0.32 -0.75 -0.54 0.00 0.00 174.62 173.95 2wdl s LYS 130 N -3.83 0.86 0.21 3.99 2.20 -0.93 -4.88 119.74 117.36 2wdl s LYS 130 Ca 0.14 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 2wdl s LYS 130 Cb 0.04 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 2wdl s LYS 130 CO 0.07 -0.29 -0.02 0.42 -0.36 0.00 0.00 175.35 175.18 2wdl s ILE 131 N -2.79 3.52 0.13 5.43 1.01 -1.26 -1.57 121.20 125.67 2wdl s ILE 131 Ca -0.03 -1.65 -0.11 0.00 0.00 0.00 0.00 60.65 58.86 2wdl s ILE 131 Cb -0.00 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2wdl s ILE 131 CO -0.05 -0.21 0.29 0.68 0.00 0.00 0.00 174.94 175.65 2wdl s VAL 132 N -1.94 0.09 0.00 2.92 -7.23 -1.07 -4.94 120.40 108.23 2wdl s VAL 132 Ca 0.28 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2wdl s VAL 132 Cb -0.08 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2wdl s VAL 132 CO 0.18 -0.42 0.00 0.54 -0.31 0.00 0.00 175.10 175.09 2wdl n ARG 133 N -0.17 0.00 -2.22 4.82 1.74 -1.26 -2.12 116.66 117.44 2wdl n ARG 133 Ca -0.12 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.94 2wdl n ARG 133 Cb 0.63 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.12 2wdl n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdl n ARG 134 N 0.00 0.61 0.00 5.56 1.74 -1.26 -4.40 116.66 118.91 2wdl n ARG 134 Ca 0.00 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 2wdl n ARG 134 Cb 0.00 0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 2wdl n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wdl n ASP 135 N -0.67 0.00 -0.25 0.55 5.75 -1.26 -4.54 116.55 116.13 2wdl n ASP 135 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2wdl n ASP 135 Cb 0.69 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.79 2wdl n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdl n ALA 136 N -3.00 2.52 1.59 2.12 0.00 -1.26 -3.89 120.51 118.59 2wdl n ALA 136 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wdl n ALA 136 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 2wdl n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdl n TYR 137 N -0.24 0.04 -3.24 0.00 0.53 -1.26 -4.82 117.16 108.16 2wdl n TYR 137 Ca 0.01 -0.02 -0.36 0.00 -1.02 0.00 0.00 57.90 56.51 2wdl n TYR 137 Cb 0.13 -0.04 -0.06 0.00 -1.03 0.00 0.00 39.34 38.34 2wdl n TYR 137 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 2wdl s ASP 138 N -0.67 6.96 -0.46 7.72 1.01 -1.25 -4.63 116.67 125.36 2wdl s ASP 138 Ca 0.02 1.24 0.09 0.00 0.71 0.00 0.00 52.55 54.61 2wdl s ASP 138 Cb 0.01 -2.35 0.35 0.00 1.01 0.00 0.00 42.92 41.94 2wdl s ASP 138 CO 0.01 0.12 0.84 1.21 0.21 0.00 0.00 175.17 177.56 2wdl n GLU 139 N 0.97 1.99 0.00 8.23 4.07 -1.26 -5.06 120.64 129.59 2wdl n GLU 139 Ca -0.05 -4.02 0.00 0.00 -0.06 0.00 0.00 57.16 53.02 2wdl n GLU 139 Cb 0.51 -1.93 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 2wdl n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdl n ALA 140 N 0.02 0.00 -1.49 4.31 0.00 -1.26 -5.30 120.51 116.80 2wdl n ALA 140 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wdl n ALA 140 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2wdl n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54