#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n PHE 6 N 0.00 0.02 0.29 2.11 3.01 -1.26 -5.01 117.46 116.62 2wdm n PHE 6 Ca 0.00 -0.49 -0.16 0.00 1.01 0.00 0.00 57.45 57.82 2wdm n PHE 6 Cb 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 2wdm n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wdm h GLU 7 N 0.00 -0.70 -4.21 -1.08 4.57 -1.11 -3.48 114.58 108.58 2wdm h GLU 7 Ca -0.06 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2wdm h GLU 7 Cb 0.22 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2wdm h GLU 7 CO 0.09 -0.41 -0.86 -1.91 -1.18 0.00 0.00 179.01 174.74 2wdm n GLU 8 N -5.35 -4.89 -3.73 1.92 2.13 -1.25 -4.95 120.64 104.51 2wdm n GLU 8 Ca -0.12 3.48 -0.13 0.00 0.66 0.00 0.00 57.16 61.05 2wdm n GLU 8 Cb 0.32 -3.86 -0.10 0.00 0.27 0.00 0.00 31.44 28.07 2wdm n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wdm s LYS 9 N -1.06 0.50 -0.18 5.31 2.20 0.12 -4.98 119.74 121.65 2wdm s LYS 9 Ca 0.00 0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 56.01 2wdm s LYS 9 Cb 0.00 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 2wdm s LYS 9 CO 0.00 -0.07 0.12 1.41 -0.36 0.00 0.00 175.35 176.45 2wdm s MET 10 N 0.05 3.95 -0.11 4.03 -2.45 -1.26 0.15 119.30 123.66 2wdm s MET 10 Ca -0.01 -0.22 -0.07 0.00 -1.25 0.00 0.00 55.69 54.14 2wdm s MET 10 Cb -0.03 -3.32 -0.26 0.00 1.25 0.00 0.00 34.83 32.46 2wdm s MET 10 CO 0.01 0.43 0.39 0.82 1.05 0.00 0.00 175.02 177.71 2wdm h ILE 11 N 4.51 0.64 -3.99 10.11 2.04 -1.34 -3.48 117.51 126.01 2wdm h ILE 11 Ca -0.44 -2.35 -0.36 0.00 1.00 0.00 0.00 64.86 62.70 2wdm h ILE 11 Cb 1.17 2.53 -0.25 0.00 -0.74 0.00 0.00 36.82 39.53 2wdm h ILE 11 CO 0.70 0.90 -0.77 -0.22 0.00 0.00 0.00 178.15 178.77 2wdm s LEU 12 N -7.07 2.15 -0.02 1.44 1.98 -1.04 -5.00 118.68 111.13 2wdm s LEU 12 Ca -0.22 -0.39 -0.02 0.00 -2.89 0.00 0.00 54.13 50.61 2wdm s LEU 12 Cb 0.06 -0.39 0.01 0.00 0.66 0.00 0.00 46.19 46.53 2wdm s LEU 12 CO 0.77 -0.03 0.06 -0.63 -1.89 0.00 0.00 176.35 174.63 2wdm s ILE 13 N -0.82 0.00 -0.05 6.68 1.01 -1.25 0.45 121.20 127.21 2wdm s ILE 13 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2wdm s ILE 13 Cb -0.07 -0.09 0.08 0.00 0.01 0.00 0.00 42.46 42.39 2wdm s ILE 13 CO 0.01 -0.01 0.73 0.00 0.00 0.00 0.00 174.94 175.67 2wdm s ARG 14 N 0.01 1.00 -0.18 2.79 1.70 -0.69 -4.96 118.95 118.63 2wdm s ARG 14 Ca -0.00 0.17 -0.04 0.00 -0.47 0.00 0.00 55.73 55.39 2wdm s ARG 14 Cb -0.00 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 2wdm s ARG 14 CO 0.00 -0.33 -0.02 0.50 -1.08 0.00 0.00 175.30 174.37 2wdm s ARG 15 N -1.42 3.61 0.00 3.89 3.52 -1.26 0.98 118.95 128.27 2wdm s ARG 15 Ca -0.08 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 2wdm s ARG 15 Cb -0.00 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 2wdm s ARG 15 CO 0.06 0.10 0.00 0.25 -0.81 0.00 0.00 175.30 174.90 2wdm n THR 16 N 3.97 0.00 0.00 4.11 -2.24 -0.17 -4.96 114.28 114.98 2wdm n THR 16 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wdm n THR 16 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2wdm n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdm n ALA 17 N -3.00 0.00 -3.34 6.98 0.00 -1.26 -4.32 120.51 115.56 2wdm n ALA 17 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2wdm n ALA 17 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2wdm n ALA 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2wdm s ARG 18 N -2.00 0.55 0.65 0.00 1.70 -0.59 -5.00 118.95 114.27 2wdm s ARG 18 Ca 0.00 -0.09 -0.14 0.00 -0.47 0.00 0.00 55.73 55.03 2wdm s ARG 18 Cb 0.00 -0.59 -0.00 0.00 -0.57 0.00 0.00 34.95 33.79 2wdm s ARG 18 CO 0.00 -0.02 1.09 -1.64 -1.08 0.00 0.00 175.30 173.64 2wdm s MET 19 N 0.56 2.91 0.00 3.89 -1.94 -1.26 -2.19 119.30 121.27 2wdm s MET 19 Ca -0.06 1.27 0.00 0.00 -1.71 0.00 0.00 55.69 55.18 2wdm s MET 19 Cb -0.10 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.77 2wdm s MET 19 CO -0.00 -1.14 0.00 0.94 -0.01 0.00 0.00 175.02 174.80 2wdm n GLN 20 N -2.49 0.00 0.00 2.03 0.00 -0.64 -4.89 117.38 111.39 2wdm n GLN 20 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 2wdm n GLN 20 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 2wdm n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wdm n ALA 21 N 0.00 -0.40 0.00 1.69 0.00 -1.26 -0.95 120.51 119.59 2wdm n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdm n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdm n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdm n GLY 22 N 0.00 3.04 0.00 0.00 0.00 -1.26 -4.92 105.19 102.05 2wdm n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 23 N -1.15 -0.50 3.10 -0.02 0.00 -0.13 -5.10 105.19 101.39 2wdm n GLY 23 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2wdm n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wdm s ARG 24 N -1.84 2.72 0.00 1.61 1.70 -1.26 -1.63 118.95 120.25 2wdm s ARG 24 Ca 0.00 -1.01 -0.17 0.00 -0.47 0.00 0.00 55.73 54.07 2wdm s ARG 24 Cb 0.00 -2.68 -0.06 0.00 -0.57 0.00 0.00 34.95 31.64 2wdm s ARG 24 CO 0.00 -0.34 0.49 0.50 -1.08 0.00 0.00 175.30 174.87 2wdm s ARG 25 N 1.22 4.12 0.54 3.89 3.52 -0.93 -4.87 118.95 126.45 2wdm s ARG 25 Ca 0.00 0.55 0.08 0.00 -0.13 0.00 0.00 55.73 56.23 2wdm s ARG 25 Cb -0.15 -3.28 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2wdm s ARG 25 CO -0.10 0.55 0.60 -0.06 -0.81 0.00 0.00 175.30 175.47 2wdm s PHE 26 N -0.69 1.66 0.16 5.12 0.40 -1.26 -1.53 117.98 121.83 2wdm s PHE 26 Ca 0.26 -0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 55.67 2wdm s PHE 26 Cb -0.17 -2.10 0.04 0.00 0.51 0.00 0.00 43.02 41.30 2wdm s PHE 26 CO 0.15 -0.78 0.51 0.50 0.70 0.00 0.00 175.22 176.30 2wdm s ARG 27 N -4.46 1.25 -0.04 0.44 3.52 -1.26 -4.71 118.95 113.68 2wdm s ARG 27 Ca 0.50 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 55.45 2wdm s ARG 27 Cb -0.04 0.53 -0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2wdm s ARG 27 CO 0.31 -0.53 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.05 2wdm s PHE 28 N -3.81 1.61 -0.07 5.12 0.40 -0.96 -1.00 117.98 119.27 2wdm s PHE 28 Ca 0.04 -0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 2wdm s PHE 28 Cb -0.00 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 2wdm s PHE 28 CO -0.09 -0.15 0.33 0.20 0.70 0.00 0.00 175.22 176.21 2wdm s GLY 29 N 0.04 2.34 -0.22 4.36 0.00 0.28 -2.77 107.32 111.35 2wdm s GLY 29 Ca -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 2wdm s GLY 29 CO 0.02 0.17 0.02 0.00 0.00 0.00 0.00 173.10 173.31 2wdm s ALA 30 N -0.55 1.28 -0.29 3.20 0.00 -0.25 -1.70 121.76 123.45 2wdm s ALA 30 Ca 0.20 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 2wdm s ALA 30 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2wdm s ALA 30 CO 0.09 -1.25 0.18 -1.17 0.00 0.00 0.00 175.76 173.61 2wdm s LEU 31 N 1.73 4.06 -0.01 0.00 1.98 0.17 -1.24 118.68 125.37 2wdm s LEU 31 Ca -0.01 -0.18 0.04 0.00 -2.89 0.00 0.00 54.13 51.09 2wdm s LEU 31 Cb -0.17 -2.08 -0.01 0.00 0.66 0.00 0.00 46.19 44.58 2wdm s LEU 31 CO -0.10 -0.10 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.45 2wdm s VAL 32 N 1.72 0.95 0.05 1.68 1.01 -0.25 -0.82 120.40 124.74 2wdm s VAL 32 Ca 0.06 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2wdm s VAL 32 Cb -0.16 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2wdm s VAL 32 CO 0.09 0.27 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 2wdm s VAL 33 N -0.23 4.36 -0.06 2.92 1.01 0.40 -1.71 120.40 127.09 2wdm s VAL 33 Ca 0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2wdm s VAL 33 Cb -0.05 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2wdm s VAL 33 CO -0.00 0.21 0.11 -0.69 0.00 0.00 0.00 175.10 174.72 2wdm s VAL 34 N -1.28 -0.15 0.21 2.92 1.01 -0.49 0.13 120.40 122.74 2wdm s VAL 34 Ca 0.26 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 2wdm s VAL 34 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2wdm s VAL 34 CO 0.18 0.14 0.34 -0.83 0.00 0.00 0.00 175.10 174.93 2wdm s GLY 35 N 1.89 0.66 -0.01 4.51 0.00 -1.25 -0.50 107.32 112.62 2wdm s GLY 35 Ca -0.00 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.78 2wdm s GLY 35 CO -0.05 -0.83 0.23 2.09 0.00 0.00 0.00 173.10 174.54 2wdm n ASP 36 N -0.30 1.92 -0.41 1.64 3.85 -0.99 -0.45 116.55 121.82 2wdm n ASP 36 Ca -0.03 -0.31 -0.02 0.00 -0.71 0.00 0.00 54.79 53.71 2wdm n ASP 36 Cb 0.63 1.18 0.00 0.00 -1.35 0.00 0.00 41.12 41.58 2wdm n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2wdm n ARG 37 N -1.48 -0.35 -0.07 0.11 1.74 -1.14 -4.90 116.66 110.57 2wdm n ARG 37 Ca -0.00 0.09 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 2wdm n ARG 37 Cb 0.15 -3.44 0.01 0.00 -1.02 0.00 0.00 32.46 28.16 2wdm n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wdm n GLN 38 N -1.12 0.83 -0.06 5.56 1.13 -1.22 -4.59 117.38 117.91 2wdm n GLN 38 Ca -0.02 -0.94 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 2wdm n GLN 38 Cb 0.51 -0.69 0.00 0.00 0.11 0.00 0.00 30.24 30.18 2wdm n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdm n GLY 39 N -0.21 1.72 2.61 1.08 0.00 -0.77 -4.95 105.19 104.66 2wdm n GLY 39 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2wdm n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdm s ARG 40 N -0.85 0.18 0.01 1.61 0.52 -1.22 -3.42 118.95 115.77 2wdm s ARG 40 Ca 0.00 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 2wdm s ARG 40 Cb 0.00 -1.24 -0.01 0.00 0.52 0.00 0.00 34.95 34.22 2wdm s ARG 40 CO 0.00 -0.90 0.01 0.14 0.02 0.00 0.00 175.30 174.56 2wdm s VAL 41 N 2.17 0.05 0.02 3.52 -7.23 -1.25 -2.34 120.40 115.35 2wdm s VAL 41 Ca 0.07 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2wdm s VAL 41 Cb -0.16 -0.16 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 2wdm s VAL 41 CO -0.27 -0.24 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.41 2wdm s GLY 42 N -0.73 0.23 0.00 2.32 0.00 0.35 -1.75 107.32 107.75 2wdm s GLY 42 Ca -0.08 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.18 2wdm s GLY 42 CO -0.00 -0.56 -0.14 -2.27 0.00 0.00 0.00 173.10 170.13 2wdm s LEU 43 N -1.21 2.78 -0.14 0.66 2.96 -1.25 -1.40 118.68 121.09 2wdm s LEU 43 Ca -0.12 -0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 2wdm s LEU 43 Cb -0.08 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.04 2wdm s LEU 43 CO -0.01 0.29 0.36 -0.83 -1.32 0.00 0.00 176.35 174.85 2wdm s GLY 44 N -1.20 -0.27 -0.13 7.98 0.00 -0.69 -4.51 107.32 108.50 2wdm s GLY 44 Ca 0.14 1.04 0.03 0.00 0.00 0.00 0.00 44.72 45.93 2wdm s GLY 44 CO 0.04 0.92 -0.22 -0.12 0.00 0.00 0.00 173.10 173.72 2wdm s PHE 45 N 0.26 2.60 0.00 1.90 5.36 -1.26 -1.09 117.98 125.76 2wdm s PHE 45 Ca -0.01 -1.24 0.01 0.00 -0.96 0.00 0.00 56.93 54.73 2wdm s PHE 45 Cb -0.03 -1.76 -0.01 0.00 -0.34 0.00 0.00 43.02 40.88 2wdm s PHE 45 CO -0.00 -0.55 -0.03 0.20 -1.46 0.00 0.00 175.22 173.38 2wdm s GLY 46 N 0.69 0.16 0.37 13.12 0.00 -0.37 -4.87 107.32 116.42 2wdm s GLY 46 Ca -0.10 -0.20 0.08 0.00 0.00 0.00 0.00 44.72 44.50 2wdm s GLY 46 CO 0.01 -0.19 -0.00 0.54 0.00 0.00 0.00 173.10 173.46 2wdm s LYS 47 N -0.30 1.98 0.00 2.90 3.01 -1.25 -1.09 119.74 124.99 2wdm s LYS 47 Ca -0.01 -1.92 0.00 0.00 -1.01 0.00 0.00 55.97 53.02 2wdm s LYS 47 Cb -0.02 -1.78 0.00 0.00 -1.01 0.00 0.00 37.83 35.01 2wdm s LYS 47 CO -0.00 0.05 0.00 0.00 0.51 0.00 0.00 175.35 175.91 2wdm n ALA 48 N -0.94 0.00 -0.42 5.17 0.00 -1.11 -4.73 120.51 118.47 2wdm n ALA 48 Ca -0.04 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.80 2wdm n ALA 48 Cb 0.64 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.80 2wdm n ALA 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wdm h PRO 49 N 0.00 0.00 -6.46 0.00 0.11 -1.90 -2.54 132.00 121.21 2wdm h PRO 49 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 2wdm h PRO 49 Cb 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 30.87 2wdm h PRO 49 CO 0.00 0.00 -0.85 -2.00 -0.21 0.00 0.00 178.00 174.94 2wdm s GLU 50 N -4.76 1.44 0.00 1.05 2.56 -1.26 -4.71 118.70 113.02 2wdm s GLU 50 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 54.97 53.80 2wdm s GLU 50 Cb 0.22 -1.69 0.00 0.00 2.00 0.00 0.00 34.13 34.66 2wdm s GLU 50 CO 0.74 0.42 0.80 0.28 -0.56 0.00 0.00 175.26 176.94 2wdm n VAL 51 N 1.45 0.00 -0.22 3.70 0.31 -1.26 -2.27 118.33 120.04 2wdm n VAL 51 Ca -0.18 1.30 0.02 0.00 -0.01 0.00 0.00 64.34 65.48 2wdm n VAL 51 Cb 0.53 -2.05 0.11 0.00 -0.91 0.00 0.00 33.84 31.53 2wdm n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wdm h PRO 52 N 0.00 0.12 -0.77 5.55 0.11 -1.98 0.31 132.00 135.34 2wdm h PRO 52 Ca 0.00 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 66.32 2wdm h PRO 52 Cb 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 2wdm h PRO 52 CO 0.00 0.08 0.55 1.25 -0.21 0.00 0.00 178.00 179.67 2wdm h LEU 53 N 0.12 0.03 0.11 2.35 6.46 -1.93 1.31 115.31 123.75 2wdm h LEU 53 Ca 0.34 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.80 2wdm h LEU 53 Cb 0.57 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2wdm h LEU 53 CO -0.56 0.01 -1.57 0.00 -0.62 0.00 0.00 178.44 175.70 2wdm h ALA 54 N 1.62 0.33 -0.04 1.25 0.00 -0.04 -1.36 119.26 121.01 2wdm h ALA 54 Ca 0.37 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 2wdm h ALA 54 Cb 1.43 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2wdm h ALA 54 CO -0.01 1.20 0.01 0.28 0.00 0.00 0.00 179.25 180.72 2wdm h VAL 55 N 0.06 1.22 -0.01 0.00 2.07 0.15 0.48 116.25 120.23 2wdm h VAL 55 Ca -0.26 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.62 2wdm h VAL 55 Cb 2.01 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 2wdm h VAL 55 CO 0.15 0.18 -0.17 -0.61 0.02 0.00 0.00 177.57 177.14 2wdm h GLN 56 N -0.19 -0.27 -0.78 1.57 -0.00 0.14 0.62 115.11 116.20 2wdm h GLN 56 Ca 0.01 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.76 2wdm h GLN 56 Cb 0.29 0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.76 2wdm h GLN 56 CO 0.00 -0.18 0.45 -0.22 0.00 0.00 0.00 178.83 178.88 2wdm h LYS 57 N -0.28 0.77 -0.74 1.69 3.64 -1.01 0.76 116.57 121.40 2wdm h LYS 57 Ca 0.06 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2wdm h LYS 57 Cb 0.35 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2wdm h LYS 57 CO -0.17 0.51 0.49 0.00 -2.27 0.00 0.00 179.45 178.01 2wdm h ALA 58 N 1.41 1.49 -0.80 5.00 0.00 0.93 -1.53 119.26 125.77 2wdm h ALA 58 Ca 0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2wdm h ALA 58 Cb 0.27 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2wdm h ALA 58 CO -0.21 0.46 0.32 0.78 0.00 0.00 0.00 179.25 180.60 2wdm h GLY 59 N 0.98 1.28 0.44 0.00 0.00 0.14 0.19 103.07 106.10 2wdm h GLY 59 Ca 0.28 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.95 2wdm h GLY 59 CO -0.07 0.65 -0.22 -1.82 0.00 0.00 0.00 176.54 175.09 2wdm h TYR 60 N 1.16 -0.57 -0.32 5.60 3.20 -0.40 -2.40 116.97 123.23 2wdm h TYR 60 Ca 0.27 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.01 2wdm h TYR 60 Cb 0.21 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2wdm h TYR 60 CO 0.02 -0.30 -0.40 1.88 -1.64 0.00 0.00 178.16 177.72 2wdm h TYR 61 N -0.32 0.92 -1.17 -3.82 0.05 -1.37 -2.32 116.97 108.95 2wdm h TYR 61 Ca 0.07 -0.27 0.33 0.00 0.05 0.00 0.00 58.73 58.91 2wdm h TYR 61 Cb 0.42 -0.20 -0.09 0.00 1.01 0.00 0.00 36.73 37.87 2wdm h TYR 61 CO -0.28 1.04 0.77 0.00 -1.05 0.00 0.00 178.16 178.65 2wdm h ALA 62 N 0.92 2.59 0.00 3.88 0.00 -0.14 1.05 119.26 127.56 2wdm h ALA 62 Ca 0.05 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2wdm h ALA 62 Cb 0.95 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2wdm h ALA 62 CO 0.09 -1.04 -1.57 0.00 0.00 0.00 0.00 179.25 176.73 2wdm h ARG 63 N 0.22 0.00 -0.03 0.00 3.08 -1.25 -3.30 114.38 113.12 2wdm h ARG 63 Ca 0.66 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.71 2wdm h ARG 63 Cb 2.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.05 2wdm h ARG 63 CO -0.26 0.60 0.11 -0.09 -1.07 0.00 0.00 179.97 179.26 2wdm h ARG 64 N 0.00 0.00 -4.99 0.04 9.65 0.16 -3.41 114.38 115.84 2wdm h ARG 64 Ca -0.23 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.22 2wdm h ARG 64 Cb 1.97 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 30.27 2wdm h ARG 64 CO 0.09 0.00 -0.79 1.21 2.80 0.00 0.00 179.97 183.28 2wdm s ASN 65 N -5.16 1.33 0.01 -3.80 2.47 -0.39 -5.06 114.94 104.34 2wdm s ASN 65 Ca -0.05 -0.25 -0.01 0.00 0.42 0.00 0.00 52.86 52.98 2wdm s ASN 65 Cb 0.12 -0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 2wdm s ASN 65 CO 0.41 0.11 0.03 0.23 -3.72 0.00 0.00 177.10 174.16 2wdm n MET 66 N 2.63 0.03 -3.54 0.43 2.81 -1.26 -3.56 117.12 114.65 2wdm n MET 66 Ca -0.15 -0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.58 2wdm n MET 66 Cb 0.56 0.07 -0.02 0.00 -0.71 0.00 0.00 33.22 33.12 2wdm n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wdm s VAL 67 N -2.74 0.00 -0.76 2.03 0.11 -0.71 -4.87 120.40 113.44 2wdm s VAL 67 Ca 0.01 -0.27 0.19 0.00 -2.93 0.00 0.00 61.98 58.98 2wdm s VAL 67 Cb -0.00 -1.27 0.18 0.00 -1.53 0.00 0.00 36.38 33.76 2wdm s VAL 67 CO 0.00 0.00 1.59 -1.84 -3.33 0.00 0.00 175.10 171.52 2wdm n GLU 68 N -0.40 0.09 -2.74 1.54 0.28 -1.26 -3.91 120.64 114.25 2wdm n GLU 68 Ca -0.13 0.32 -0.07 0.00 -0.16 0.00 0.00 57.16 57.12 2wdm n GLU 68 Cb 0.63 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.83 2wdm n GLU 68 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wdm n VAL 69 N -1.84 -0.87 -1.56 3.84 0.31 -1.22 -4.64 118.33 112.34 2wdm n VAL 69 Ca 0.03 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 2wdm n VAL 69 Cb 0.20 -0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 32.27 2wdm n VAL 69 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wdm n PRO 70 N -0.98 0.42 -2.04 5.55 -0.02 -1.26 -4.54 135.00 132.13 2wdm n PRO 70 Ca -0.08 -1.07 -0.29 0.00 -2.02 0.00 0.00 63.50 60.03 2wdm n PRO 70 Cb 0.19 -3.72 0.03 0.00 -0.02 0.00 0.00 33.50 29.98 2wdm n PRO 70 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wdm s LEU 71 N 15.32 3.11 -0.30 2.45 1.43 -1.26 -4.10 118.68 135.32 2wdm s LEU 71 Ca 0.90 1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 55.06 2wdm s LEU 71 Cb -0.12 -4.00 0.18 0.00 0.03 0.00 0.00 46.19 42.29 2wdm s LEU 71 CO 0.12 -1.10 0.74 -1.10 0.23 0.00 0.00 176.35 175.24 2wdm s GLN 72 N -5.19 0.46 -1.82 1.70 -0.21 0.52 -4.91 119.66 110.21 2wdm s GLN 72 Ca 0.56 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.78 2wdm s GLN 72 Cb -0.11 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.38 2wdm s GLN 72 CO 0.51 -0.46 0.00 -1.71 -2.12 0.00 0.00 175.29 171.50 2wdm n ASN 73 N 5.43 -5.34 0.00 5.90 4.05 -1.26 -1.56 115.26 122.48 2wdm n ASN 73 Ca -0.04 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.24 2wdm n ASN 73 Cb 0.52 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 37.08 2wdm n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wdm n GLY 74 N -0.82 0.72 3.31 8.20 0.00 -1.26 -4.87 105.19 110.47 2wdm n GLY 74 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2wdm n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wdm s THR 75 N -2.23 0.19 0.40 2.61 -1.32 -0.60 0.86 115.64 115.54 2wdm s THR 75 Ca 0.00 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.28 2wdm s THR 75 Cb 0.00 -2.49 -0.11 0.00 -1.51 0.00 0.00 72.50 68.39 2wdm s THR 75 CO 0.00 0.00 0.91 -0.63 -2.21 0.00 0.00 174.62 172.69 2wdm s ILE 76 N -3.61 4.42 0.08 5.08 1.01 -1.26 -0.36 121.20 126.57 2wdm s ILE 76 Ca 0.37 1.43 -0.25 0.00 0.00 0.00 0.00 60.65 62.19 2wdm s ILE 76 Cb 0.04 -3.64 -0.16 0.00 0.01 0.00 0.00 42.46 38.71 2wdm s ILE 76 CO 0.20 -0.25 1.69 1.55 0.00 0.00 0.00 174.94 178.13 2wdm h PRO 77 N 2.10 -0.19 0.00 2.79 0.13 -1.84 -3.43 132.00 131.56 2wdm h PRO 77 Ca -0.49 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2wdm h PRO 77 Cb 1.18 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2wdm h PRO 77 CO 0.62 -0.10 -0.12 -2.39 -0.23 0.00 0.00 178.00 175.78 2wdm n HIS 78 N -5.16 -0.13 -3.96 1.56 1.44 -1.26 -4.95 115.22 102.76 2wdm n HIS 78 Ca -0.08 -0.71 -0.34 0.00 -2.01 0.00 0.00 57.72 54.58 2wdm n HIS 78 Cb 0.11 0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 2wdm n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2wdm s GLU 79 N -2.36 3.34 0.04 -1.40 8.01 -1.25 -4.22 118.70 120.86 2wdm s GLU 79 Ca 0.09 -0.33 -0.18 0.00 0.01 0.00 0.00 54.97 54.56 2wdm s GLU 79 Cb 0.00 -3.05 0.04 0.00 -4.31 0.00 0.00 34.13 26.81 2wdm s GLU 79 CO 0.06 0.69 0.42 0.96 0.01 0.00 0.00 175.26 177.40 2wdm s ILE 80 N -1.23 0.05 -0.06 -1.63 -4.36 0.14 -4.96 121.20 109.16 2wdm s ILE 80 Ca 0.24 -0.45 0.05 0.00 -0.26 0.00 0.00 60.65 60.23 2wdm s ILE 80 Cb -0.12 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.63 2wdm s ILE 80 CO 0.14 -0.25 -0.23 -1.61 0.24 0.00 0.00 174.94 173.24 2wdm s GLU 81 N -2.47 2.38 -0.02 0.37 2.02 -1.26 0.60 118.70 120.32 2wdm s GLU 81 Ca -0.05 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.12 2wdm s GLU 81 Cb -0.01 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.23 2wdm s GLU 81 CO -0.02 0.33 -0.02 0.08 0.02 0.00 0.00 175.26 175.64 2wdm s VAL 82 N -0.07 0.28 -0.45 2.63 1.01 -0.31 -5.00 120.40 118.50 2wdm s VAL 82 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2wdm s VAL 82 Cb -0.14 -0.31 0.12 0.00 0.00 0.00 0.00 36.38 36.05 2wdm s VAL 82 CO 0.04 0.13 0.20 -1.61 0.00 0.00 0.00 175.10 173.86 2wdm s GLU 83 N 0.58 1.90 -0.61 2.72 2.02 -1.26 -1.31 118.70 122.74 2wdm s GLU 83 Ca -0.06 -2.15 -0.19 0.00 0.02 0.00 0.00 54.97 52.58 2wdm s GLU 83 Cb -0.09 -3.41 0.10 0.00 0.10 0.00 0.00 34.13 30.83 2wdm s GLU 83 CO -0.01 -1.05 0.73 0.12 0.02 0.00 0.00 175.26 175.07 2wdm s PHE 84 N 0.51 2.99 0.00 1.61 5.36 0.26 -4.89 117.98 123.82 2wdm s PHE 84 Ca 0.13 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 2wdm s PHE 84 Cb -0.22 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.42 2wdm s PHE 84 CO -0.04 -1.32 0.00 0.41 -1.46 0.00 0.00 175.22 172.80 2wdm n GLY 85 N 5.27 0.05 0.30 13.12 0.00 -1.26 -2.70 105.19 119.97 2wdm n GLY 85 Ca -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 44.99 2wdm n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm n ALA 86 N 5.60 2.48 -2.80 4.61 0.00 -1.26 -4.77 120.51 124.38 2wdm n ALA 86 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 2wdm n ALA 86 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 2wdm n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wdm s SER 87 N -1.04 5.71 0.25 0.00 0.01 -1.10 -1.64 113.70 115.90 2wdm s SER 87 Ca 0.12 0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.51 2wdm s SER 87 Cb 0.06 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2wdm s SER 87 CO 0.09 0.07 -0.11 -0.75 0.41 0.00 0.00 173.24 172.95 2wdm s LYS 88 N 1.00 1.97 0.00 12.44 2.20 -0.86 -0.57 119.74 135.93 2wdm s LYS 88 Ca 0.06 -1.52 -0.24 0.00 -0.36 0.00 0.00 55.97 53.91 2wdm s LYS 88 Cb -0.14 -2.00 0.05 0.00 -1.51 0.00 0.00 37.83 34.24 2wdm s LYS 88 CO 0.03 0.37 0.54 -1.50 -0.36 0.00 0.00 175.35 174.43 2wdm s ILE 89 N -2.21 0.02 0.09 5.43 2.07 -0.42 -2.42 121.20 123.75 2wdm s ILE 89 Ca 0.29 -0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.39 2wdm s ILE 89 Cb -0.06 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 2wdm s ILE 89 CO 0.16 -0.11 -0.17 0.68 -1.91 0.00 0.00 174.94 173.60 2wdm s VAL 90 N -1.84 1.35 -0.20 4.00 -7.23 -0.76 -1.16 120.40 114.56 2wdm s VAL 90 Ca -0.09 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2wdm s VAL 90 Cb -0.01 -1.28 0.06 0.00 0.56 0.00 0.00 36.38 35.70 2wdm s VAL 90 CO 0.03 -0.18 0.00 -0.76 -0.31 0.00 0.00 175.10 173.89 2wdm s LEU 91 N -1.85 1.59 -0.19 1.32 2.01 0.20 -3.44 118.68 118.32 2wdm s LEU 91 Ca 0.02 -0.88 0.00 0.00 0.01 0.00 0.00 54.13 53.28 2wdm s LEU 91 Cb -0.10 -0.79 0.04 0.00 0.01 0.00 0.00 46.19 45.36 2wdm s LEU 91 CO 0.03 -0.27 -0.08 -0.54 1.01 0.00 0.00 176.35 176.50 2wdm s LYS 92 N 1.71 1.76 0.13 1.70 1.02 0.86 0.28 119.74 127.20 2wdm s LYS 92 Ca -0.02 -0.75 -0.31 0.00 0.02 0.00 0.00 55.97 54.91 2wdm s LYS 92 Cb -0.17 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 2wdm s LYS 92 CO -0.07 -0.45 1.71 -1.25 -0.92 0.00 0.00 175.35 174.36 2wdm s PRO 93 N 1.48 4.17 0.27 -1.68 0.04 -1.26 0.10 135.00 138.12 2wdm s PRO 93 Ca -0.01 2.48 0.08 0.00 0.04 0.00 0.00 61.00 63.59 2wdm s PRO 93 Cb -0.16 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2wdm s PRO 93 CO -0.08 -0.75 0.12 0.00 0.04 0.00 0.00 177.00 176.33 2wdm s ALA 94 N 2.14 3.42 1.07 8.56 0.00 -1.14 -4.83 121.76 130.98 2wdm s ALA 94 Ca 0.76 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 2wdm s ALA 94 Cb -0.44 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2wdm s ALA 94 CO 0.33 0.23 -0.30 0.00 0.00 0.00 0.00 175.76 176.03 2wdm n ALA 95 N -1.07 -4.36 -0.93 0.00 0.00 -1.26 -4.61 120.51 108.27 2wdm n ALA 95 Ca -0.07 -1.19 -0.32 0.00 0.00 0.00 0.00 53.44 51.86 2wdm n ALA 95 Cb 0.59 -1.39 0.14 0.00 0.00 0.00 0.00 19.45 18.79 2wdm n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wdm s PRO 96 N -3.10 1.41 -0.89 0.00 0.02 -1.26 -2.95 135.00 128.23 2wdm s PRO 96 Ca 0.51 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 63.10 2wdm s PRO 96 Cb -0.09 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.71 2wdm s PRO 96 CO 0.67 -2.35 0.20 0.41 -0.33 0.00 0.00 177.00 175.60 2wdm n GLY 97 N 0.22 -0.49 0.12 0.52 0.00 -1.26 -4.81 105.19 99.50 2wdm n GLY 97 Ca 0.12 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2wdm n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wdm h THR 98 N -0.38 1.08 0.00 2.61 2.02 -1.77 -3.51 112.91 112.96 2wdm h THR 98 Ca -0.28 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.49 2wdm h THR 98 Cb 1.19 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 2wdm h THR 98 CO 0.35 0.70 0.00 0.61 0.37 0.00 0.00 175.52 177.55 2wdm n GLY 99 N 1.73 1.99 3.61 2.16 0.00 -0.87 -4.95 105.19 108.86 2wdm n GLY 99 Ca -0.24 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 2wdm n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 100 N -2.50 5.16 -0.41 1.61 1.01 -1.01 -2.68 120.40 121.57 2wdm s VAL 100 Ca 0.00 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 2wdm s VAL 100 Cb 0.00 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.75 2wdm s VAL 100 CO 0.00 0.15 0.22 0.27 0.00 0.00 0.00 175.10 175.74 2wdm s ILE 101 N 2.04 3.67 0.17 2.22 -0.00 -0.86 -4.99 121.20 123.46 2wdm s ILE 101 Ca 0.17 -1.74 -0.08 0.00 -0.00 0.00 0.00 60.65 59.00 2wdm s ILE 101 Cb -0.16 -3.37 0.03 0.00 -0.00 0.00 0.00 42.46 38.96 2wdm s ILE 101 CO 0.10 -0.58 0.42 0.00 -0.00 0.00 0.00 174.94 174.87 2wdm n ALA 102 N 4.74 -0.97 -2.82 2.27 0.00 -1.26 -2.14 120.51 120.34 2wdm n ALA 102 Ca -0.07 -0.60 -0.25 0.00 0.00 0.00 0.00 53.44 52.52 2wdm n ALA 102 Cb 0.42 0.45 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 2wdm n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wdm s GLY 103 N -2.15 1.64 0.00 0.00 0.00 -1.26 -4.82 107.32 100.73 2wdm s GLY 103 Ca 0.09 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2wdm s GLY 103 CO 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 173.10 171.89 2wdm n ALA 104 N -0.55 0.00 -0.00 3.20 0.00 -1.26 -1.67 120.51 120.22 2wdm n ALA 104 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wdm n ALA 104 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2wdm n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdm h VAL 105 N 0.00 0.00 0.00 0.00 2.07 -1.95 -3.10 116.25 113.27 2wdm h VAL 105 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2wdm h VAL 105 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2wdm h VAL 105 CO 0.00 0.00 0.29 1.55 0.02 0.00 0.00 177.57 179.43 2wdm h PRO 106 N -0.06 0.00 0.19 1.57 0.13 -1.68 -1.50 132.00 130.66 2wdm h PRO 106 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2wdm h PRO 106 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2wdm h PRO 106 CO 0.00 0.00 -0.09 -0.09 -0.23 0.00 0.00 178.00 177.59 2wdm h ARG 107 N 0.00 -0.25 -0.82 0.86 2.43 -1.48 -2.56 114.38 112.57 2wdm h ARG 107 Ca 0.00 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.37 2wdm h ARG 107 Cb 0.59 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 2wdm h ARG 107 CO 0.00 0.13 0.55 0.00 -1.51 0.00 0.00 179.97 179.14 2wdm h ALA 108 N -0.48 2.26 0.06 2.80 0.00 -1.19 0.79 119.26 123.49 2wdm h ALA 108 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wdm h ALA 108 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wdm h ALA 108 CO 0.04 -0.50 -0.03 0.82 0.00 0.00 0.00 179.25 179.59 2wdm h ILE 109 N 0.34 1.26 0.00 0.00 2.04 -1.52 -3.15 117.51 116.47 2wdm h ILE 109 Ca 0.41 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 2wdm h ILE 109 Cb 1.09 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2wdm h ILE 109 CO -0.12 0.29 -0.32 -0.07 0.00 0.00 0.00 178.15 177.92 2wdm h LEU 110 N -0.61 0.00 0.38 1.44 3.38 -0.94 -1.12 115.31 117.84 2wdm h LEU 110 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2wdm h LEU 110 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2wdm h LEU 110 CO 0.01 0.32 -0.18 -0.33 0.09 0.00 0.00 178.44 178.35 2wdm h GLU 111 N 0.00 -0.49 0.00 1.13 5.08 -0.97 -1.73 114.58 117.61 2wdm h GLU 111 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wdm h GLU 111 Cb 0.96 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2wdm h GLU 111 CO 0.04 -0.33 0.00 1.28 -1.00 0.00 0.00 179.01 179.01 2wdm n LEU 112 N -4.23 0.00 -0.02 1.33 4.77 -1.19 -2.27 117.00 115.39 2wdm n LEU 112 Ca -0.06 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2wdm n LEU 112 Cb 0.20 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 2wdm n LEU 112 CO 0.15 -0.04 -0.00 0.00 -1.33 0.00 0.00 177.39 176.16 2wdm h ALA 113 N 2.69 0.04 0.00 -1.18 0.00 -1.03 -3.00 119.26 116.77 2wdm h ALA 113 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2wdm h ALA 113 Cb 0.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wdm h ALA 113 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2wdm n GLY 114 N 1.63 1.01 3.51 0.00 0.00 -0.96 -1.85 105.19 108.54 2wdm n GLY 114 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2wdm n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 115 N -1.37 2.25 0.00 1.61 1.01 -0.67 -4.65 120.40 118.57 2wdm s VAL 115 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.73 2wdm s VAL 115 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2wdm s VAL 115 CO 0.00 -0.26 0.00 0.35 0.00 0.00 0.00 175.10 175.19 2wdm n THR 116 N -0.73 0.00 -3.75 3.92 -2.24 0.25 -4.58 114.28 107.14 2wdm n THR 116 Ca -0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2wdm n THR 116 Cb 0.63 0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.78 2wdm n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wdm s ASP 117 N 0.00 3.76 -0.08 3.42 1.01 -0.87 -2.05 116.67 121.86 2wdm s ASP 117 Ca 0.00 -2.84 -0.19 0.00 0.71 0.00 0.00 52.55 50.23 2wdm s ASP 117 Cb 0.00 -1.17 0.04 0.00 1.01 0.00 0.00 42.92 42.80 2wdm s ASP 117 CO 0.00 -0.24 0.45 -0.51 0.21 0.00 0.00 175.17 175.08 2wdm s ILE 118 N 0.05 0.03 -0.12 0.77 1.10 -1.09 -2.88 121.20 119.05 2wdm s ILE 118 Ca 0.19 -0.21 -0.01 0.00 -0.51 0.00 0.00 60.65 60.11 2wdm s ILE 118 Cb -0.21 -0.72 -0.03 0.00 0.15 0.00 0.00 42.46 41.65 2wdm s ILE 118 CO -0.02 -0.12 -0.07 -0.76 -2.11 0.00 0.00 174.94 171.86 2wdm s LEU 119 N -0.78 3.12 -0.01 8.50 1.43 0.29 -2.04 118.68 129.18 2wdm s LEU 119 Ca -0.09 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 2wdm s LEU 119 Cb -0.03 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2wdm s LEU 119 CO 0.04 0.24 0.21 0.42 0.23 0.00 0.00 176.35 177.49 2wdm s THR 120 N -0.06 0.07 0.01 5.49 -4.23 -0.91 -0.09 115.64 115.91 2wdm s THR 120 Ca 0.00 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2wdm s THR 120 Cb -0.13 -0.50 -0.01 0.00 1.34 0.00 0.00 72.50 73.20 2wdm s THR 120 CO 0.03 -0.31 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.00 2wdm s LYS 121 N -1.28 0.36 -0.48 3.99 2.47 -1.22 -4.57 119.74 119.01 2wdm s LYS 121 Ca -0.13 -0.30 -0.14 0.00 -1.56 0.00 0.00 55.97 53.84 2wdm s LYS 121 Cb -0.06 -0.28 0.09 0.00 -1.46 0.00 0.00 37.83 36.12 2wdm s LYS 121 CO 0.03 0.07 0.39 -1.21 0.16 0.00 0.00 175.35 174.78 2wdm s GLU 122 N -0.50 2.85 0.38 4.03 2.02 -1.26 -1.82 118.70 124.40 2wdm s GLU 122 Ca -0.02 -1.50 0.07 0.00 0.02 0.00 0.00 54.97 53.55 2wdm s GLU 122 Cb -0.04 -4.08 -0.00 0.00 0.10 0.00 0.00 34.13 30.11 2wdm s GLU 122 CO -0.00 -1.10 0.49 -0.51 0.02 0.00 0.00 175.26 174.16 2wdm s LEU 123 N 1.56 3.76 0.00 1.80 1.43 -1.02 -4.89 118.68 121.32 2wdm s LEU 123 Ca 0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2wdm s LEU 123 Cb -0.26 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2wdm s LEU 123 CO 0.04 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.65 2wdm n GLY 124 N -1.69 2.05 3.68 -3.19 0.00 -1.26 -2.02 105.19 102.76 2wdm n GLY 124 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 2wdm n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdm s SER 125 N -4.00 6.93 0.00 1.61 0.15 -0.65 -4.90 113.70 112.84 2wdm s SER 125 Ca 0.00 1.14 0.08 0.00 0.70 0.00 0.00 55.95 57.87 2wdm s SER 125 Cb 0.00 -2.43 0.37 0.00 -1.71 0.00 0.00 66.02 62.25 2wdm s SER 125 CO 0.00 -0.31 1.25 0.54 1.20 0.00 0.00 173.24 175.93 2wdm n ARG 126 N 4.81 1.22 -1.68 5.44 1.74 -1.26 -4.33 116.66 122.60 2wdm n ARG 126 Ca 0.02 -0.34 -0.58 0.00 -0.77 0.00 0.00 57.85 56.18 2wdm n ARG 126 Cb 0.50 -1.15 -0.07 0.00 -1.02 0.00 0.00 32.46 30.71 2wdm n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wdm n ASN 127 N -0.30 1.90 0.00 0.55 2.85 -1.26 -4.81 115.26 114.19 2wdm n ASN 127 Ca 0.07 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 2wdm n ASN 127 Cb 0.10 -1.09 0.00 0.00 1.24 0.00 0.00 39.78 40.03 2wdm n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2wdm n PRO 128 N 4.36 0.00 -0.30 1.20 -0.02 -1.26 -1.16 135.00 137.82 2wdm n PRO 128 Ca 0.25 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2wdm n PRO 128 Cb 0.11 -1.30 0.05 0.00 -0.02 0.00 0.00 33.50 32.33 2wdm n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdm n ILE 129 N -2.06 -0.40 0.02 4.25 5.41 -1.26 -1.22 119.36 124.09 2wdm n ILE 129 Ca 0.00 1.86 -0.18 0.00 1.00 0.00 0.00 62.75 65.43 2wdm n ILE 129 Cb 0.00 -2.48 -0.14 0.00 -0.71 0.00 0.00 39.64 36.31 2wdm n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2wdm h ASN 130 N 0.00 0.37 -0.70 4.38 2.35 -1.90 -2.53 115.58 117.55 2wdm h ASN 130 Ca 0.30 -0.94 0.20 0.00 -0.55 0.00 0.00 56.30 55.31 2wdm h ASN 130 Cb 0.50 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 2wdm h ASN 130 CO -0.80 1.28 0.51 -0.29 -1.65 0.00 0.00 177.43 176.48 2wdm h ILE 131 N -0.48 0.64 0.26 2.81 -0.00 -0.68 -0.30 117.51 119.76 2wdm h ILE 131 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.74 2wdm h ILE 131 Cb 1.46 0.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.93 2wdm h ILE 131 CO 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 178.15 178.14 2wdm h ALA 132 N 1.64 -0.49 -0.89 0.18 0.00 -1.18 -2.76 119.26 115.76 2wdm h ALA 132 Ca 0.33 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.42 2wdm h ALA 132 Cb 1.34 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2wdm h ALA 132 CO -0.00 -0.47 0.86 1.88 0.00 0.00 0.00 179.25 181.52 2wdm h TYR 133 N -0.73 0.00 0.02 0.00 0.99 -0.85 0.63 116.97 117.03 2wdm h TYR 133 Ca -0.04 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.43 2wdm h TYR 133 Cb 0.27 0.00 0.02 0.00 1.00 0.00 0.00 36.73 38.02 2wdm h TYR 133 CO 0.03 0.00 -1.06 0.00 -0.00 0.00 0.00 178.16 177.13 2wdm h ALA 134 N 1.12 0.10 -0.65 3.88 0.00 -1.09 -2.52 119.26 120.09 2wdm h ALA 134 Ca 0.42 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 54.71 2wdm h ALA 134 Cb 2.13 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.95 2wdm h ALA 134 CO -0.00 0.67 0.43 1.15 0.00 0.00 0.00 179.25 181.50 2wdm h THR 135 N 0.36 0.95 0.27 0.00 2.02 0.57 0.46 112.91 117.54 2wdm h THR 135 Ca -0.14 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2wdm h THR 135 Cb 1.72 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2wdm h THR 135 CO 0.21 0.10 -0.13 0.24 0.37 0.00 0.00 175.52 176.31 2wdm h MET 136 N 0.56 -0.35 0.00 6.66 2.07 -1.39 -2.57 114.93 119.92 2wdm h MET 136 Ca 0.29 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.95 2wdm h MET 136 Cb 0.42 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 2wdm h MET 136 CO -0.09 -0.23 0.11 0.39 1.07 0.00 0.00 176.91 178.16 2wdm n GLU 137 N -3.32 0.00 -0.02 1.72 -0.58 -0.87 -0.94 120.64 116.63 2wdm n GLU 137 Ca -0.04 0.16 -0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2wdm n GLU 137 Cb 0.14 -1.61 -0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2wdm n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdm h ALA 138 N 1.17 0.00 -0.27 0.62 0.00 -0.54 -3.32 119.26 116.92 2wdm h ALA 138 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2wdm h ALA 138 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2wdm h ALA 138 CO 0.00 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 2wdm h LEU 139 N -0.32 -0.10 0.00 0.00 3.38 -0.72 -0.02 115.31 117.53 2wdm h LEU 139 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wdm h LEU 139 Cb 0.03 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wdm h LEU 139 CO 0.00 -0.02 0.10 -1.14 0.09 0.00 0.00 178.44 177.48 2wdm n ARG 140 N -5.15 0.00 -0.00 1.13 0.63 -0.14 0.10 116.66 113.23 2wdm n ARG 140 Ca -0.01 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2wdm n ARG 140 Cb 0.14 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.44 2wdm n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wdm n GLN 141 N -1.09 1.15 -1.38 -0.14 6.02 -0.03 -5.03 117.38 116.88 2wdm n GLN 141 Ca 0.00 -1.04 -0.31 0.00 -0.01 0.00 0.00 57.00 55.64 2wdm n GLN 141 Cb 0.10 -1.00 0.08 0.00 1.02 0.00 0.00 30.24 30.44 2wdm n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wdm s LEU 142 N -0.54 3.03 0.08 1.08 1.43 0.29 -5.07 118.68 118.98 2wdm s LEU 142 Ca 0.00 1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2wdm s LEU 142 Cb 0.00 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 2wdm s LEU 142 CO 0.00 -1.83 0.15 -0.13 0.23 0.00 0.00 176.35 174.77 2wdm s ARG 143 N -4.96 0.79 0.12 1.70 1.81 -1.26 -4.96 118.95 112.19 2wdm s ARG 143 Ca 0.60 -0.97 0.11 0.00 -1.72 0.00 0.00 55.73 53.75 2wdm s ARG 143 Cb -0.16 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.62 2wdm s ARG 143 CO 0.56 -0.23 -0.27 0.95 -0.68 0.00 0.00 175.30 175.62 2wdm s THR 144 N -3.73 2.25 0.60 0.02 -4.23 -1.26 -4.63 115.64 104.65 2wdm s THR 144 Ca 0.04 -1.73 0.28 0.00 -1.18 0.00 0.00 61.69 59.11 2wdm s THR 144 Cb 0.05 -1.98 0.39 0.00 1.34 0.00 0.00 72.50 72.29 2wdm s THR 144 CO -0.10 0.12 1.59 0.50 -0.54 0.00 0.00 174.62 176.18 2wdm h LYS 145 N 3.96 0.00 0.00 3.99 3.64 -2.00 -1.38 116.57 124.79 2wdm h LYS 145 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2wdm h LYS 145 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wdm h LYS 145 CO 0.39 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.57 2wdm n ALA 146 N -2.28 0.00 0.18 5.00 0.00 -1.26 -1.94 120.51 120.21 2wdm n ALA 146 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.67 2wdm n ALA 146 Cb 1.12 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.96 2wdm n ALA 146 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2wdm h ASP 147 N 0.00 0.00 0.12 0.00 -0.00 -1.90 0.10 116.42 114.74 2wdm h ASP 147 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 2wdm h ASP 147 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2wdm h ASP 147 CO 0.00 0.00 -0.06 0.58 -0.00 0.00 0.00 179.24 179.76 2wdm h VAL 148 N 0.00 1.04 0.00 4.15 2.07 -1.29 -2.67 116.25 119.55 2wdm h VAL 148 Ca 0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2wdm h VAL 148 Cb 0.63 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2wdm h VAL 148 CO 0.00 0.26 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 2wdm n GLU 149 N -4.90 0.16 0.04 1.57 1.02 0.16 -2.21 120.64 116.48 2wdm n GLU 149 Ca -0.08 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.21 2wdm n GLU 149 Cb 0.28 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.53 2wdm n GLU 149 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2wdm n ARG 150 N -1.41 0.14 -0.00 3.49 0.63 -0.07 -2.98 116.66 116.45 2wdm n ARG 150 Ca 0.09 0.06 0.09 0.00 -0.92 0.00 0.00 57.85 57.18 2wdm n ARG 150 Cb 0.28 -1.61 -0.12 0.00 0.45 0.00 0.00 32.46 31.46 2wdm n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wdm n LEU 151 N -1.83 0.70 -2.24 6.15 4.77 -0.94 -4.16 117.00 119.45 2wdm n LEU 151 Ca 0.05 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.35 2wdm n LEU 151 Cb 0.39 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2wdm n LEU 151 CO 0.33 0.17 0.83 0.54 -1.33 0.00 0.00 177.39 177.93 2wdm n ARG 152 N -1.62 3.15 0.00 3.23 1.74 -1.14 -4.92 116.66 117.10 2wdm n ARG 152 Ca 0.02 -3.77 0.00 0.00 -0.77 0.00 0.00 57.85 53.33 2wdm n ARG 152 Cb 0.35 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2wdm n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdm n LYS 153 N -0.77 0.00 0.00 5.56 4.76 -1.22 -4.96 118.16 121.52 2wdm n LYS 153 Ca 0.53 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2wdm n LYS 153 Cb 0.77 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.96 2wdm n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdm n GLY 154 N 3.81 0.09 0.00 0.72 0.00 -1.26 -5.11 105.19 103.43 2wdm n GLY 154 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2wdm n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11