#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn s PHE 6 N 0.00 1.85 -0.10 2.11 0.40 -1.26 -4.74 117.98 116.24 2wrn s PHE 6 Ca 0.00 -1.07 -0.09 0.00 -0.60 0.00 0.00 56.93 55.17 2wrn s PHE 6 Cb 0.00 -1.46 -0.08 0.00 0.51 0.00 0.00 43.02 42.00 2wrn s PHE 6 CO 0.00 0.05 0.30 1.49 0.70 0.00 0.00 175.22 177.76 2wrn h GLU 7 N 1.51 -0.07 -1.99 0.44 4.81 -1.73 -3.47 114.58 114.09 2wrn h GLU 7 Ca -0.41 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2wrn h GLU 7 Cb 1.30 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2wrn h GLU 7 CO 0.68 0.19 -0.25 -1.91 -0.73 0.00 0.00 179.01 176.99 2wrn n GLU 8 N -4.80 -1.43 -3.71 1.92 2.13 -1.26 -4.97 120.64 108.52 2wrn n GLU 8 Ca -0.03 1.39 -0.11 0.00 0.66 0.00 0.00 57.16 59.06 2wrn n GLU 8 Cb 0.14 -1.17 -0.11 0.00 0.27 0.00 0.00 31.44 30.57 2wrn n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wrn s LYS 9 N -2.28 0.39 -0.21 5.31 2.20 -0.32 -5.00 119.74 119.83 2wrn s LYS 9 Ca 0.00 0.70 -0.14 0.00 -0.36 0.00 0.00 55.97 56.18 2wrn s LYS 9 Cb 0.00 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 2wrn s LYS 9 CO 0.00 -0.13 0.29 0.00 -0.36 0.00 0.00 175.35 175.15 2wrn s MET 10 N 1.11 4.15 -0.02 4.03 0.23 -1.26 -1.89 119.30 125.65 2wrn s MET 10 Ca -0.07 0.02 -0.20 0.00 -1.03 0.00 0.00 55.69 54.40 2wrn s MET 10 Cb -0.07 -3.52 -0.28 0.00 -1.53 0.00 0.00 34.83 29.43 2wrn s MET 10 CO -0.09 0.04 0.99 0.82 -2.03 0.00 0.00 175.02 174.76 2wrn h ILE 11 N 4.97 1.46 -3.75 3.16 2.04 -1.84 -3.48 117.51 120.07 2wrn h ILE 11 Ca -0.38 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 63.05 2wrn h ILE 11 Cb 1.16 2.92 -0.12 0.00 -0.74 0.00 0.00 36.82 40.05 2wrn h ILE 11 CO 0.70 0.68 -0.24 -1.48 0.00 0.00 0.00 178.15 177.81 2wrn s LEU 12 N -8.06 0.80 -0.32 1.44 -0.00 -1.25 -4.98 118.68 106.32 2wrn s LEU 12 Ca -0.13 -0.76 0.05 0.00 -0.00 0.00 0.00 54.13 53.29 2wrn s LEU 12 Cb 0.02 1.39 0.18 0.00 -0.00 0.00 0.00 46.19 47.79 2wrn s LEU 12 CO 0.84 -0.91 0.53 -0.63 -0.00 0.00 0.00 176.35 176.18 2wrn s ILE 13 N -3.94 -0.85 0.19 1.48 1.01 -1.26 -3.17 121.20 114.66 2wrn s ILE 13 Ca 0.14 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2wrn s ILE 13 Cb 0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2wrn s ILE 13 CO -0.02 -0.12 0.11 0.00 0.00 0.00 0.00 174.94 174.91 2wrn s ARG 14 N 2.48 2.76 -0.04 2.79 1.70 -0.97 -4.91 118.95 122.76 2wrn s ARG 14 Ca 0.11 -0.99 -0.02 0.00 -0.47 0.00 0.00 55.73 54.37 2wrn s ARG 14 Cb -0.10 -2.54 -0.04 0.00 -0.57 0.00 0.00 34.95 31.71 2wrn s ARG 14 CO -0.22 0.45 0.07 0.50 -1.08 0.00 0.00 175.30 175.02 2wrn s ARG 15 N -3.24 3.10 0.29 3.89 3.52 -1.26 -1.08 118.95 124.16 2wrn s ARG 15 Ca 0.31 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 2wrn s ARG 15 Cb -0.09 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 2wrn s ARG 15 CO 0.22 0.68 0.11 0.95 -0.81 0.00 0.00 175.30 176.45 2wrn s THR 16 N -1.10 0.58 0.18 4.11 -4.23 -0.79 -4.99 115.64 109.40 2wrn s THR 16 Ca 0.20 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.56 2wrn s THR 16 Cb -0.12 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.13 2wrn s THR 16 CO 0.10 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.61 2wrn s ALA 17 N -3.62 -0.59 0.09 3.99 0.00 -1.26 -2.16 121.76 118.22 2wrn s ALA 17 Ca 0.36 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2wrn s ALA 17 Cb 0.07 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 2wrn s ALA 17 CO 0.15 -0.75 -0.09 -0.98 0.00 0.00 0.00 175.76 174.10 2wrn s ARG 18 N -3.91 0.82 0.25 0.00 1.70 -0.91 -5.00 118.95 111.90 2wrn s ARG 18 Ca 0.12 -1.19 0.07 0.00 -0.47 0.00 0.00 55.73 54.26 2wrn s ARG 18 Cb 0.01 -0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 33.96 2wrn s ARG 18 CO -0.02 0.04 0.20 -1.64 -1.08 0.00 0.00 175.30 172.80 2wrn s MET 19 N -3.07 2.94 0.00 3.89 -1.94 -1.26 -2.72 119.30 117.14 2wrn s MET 19 Ca 0.07 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 2wrn s MET 19 Cb -0.01 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.26 2wrn s MET 19 CO -0.02 0.41 0.00 0.94 -0.01 0.00 0.00 175.02 176.34 2wrn n GLN 20 N -1.15 0.00 -0.58 2.03 0.00 -1.22 -5.00 117.38 111.46 2wrn n GLN 20 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.00 56.88 2wrn n GLN 20 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.77 2wrn n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wrn n ALA 21 N 0.00 0.36 0.00 1.69 0.00 -1.26 -2.00 120.51 119.30 2wrn n ALA 21 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2wrn n ALA 21 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2wrn n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 22 N 2.36 -0.17 0.14 0.00 0.00 -1.26 -5.12 105.19 101.14 2wrn n GLY 22 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2wrn n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrn n GLY 23 N 0.00 -3.62 3.86 -0.02 0.00 -0.85 -4.98 105.19 99.58 2wrn n GLY 23 Ca 0.00 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 2wrn n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wrn s ARG 24 N -0.93 3.89 -0.03 1.61 1.70 -1.26 -3.45 118.95 120.47 2wrn s ARG 24 Ca 0.00 0.63 0.03 0.00 -0.47 0.00 0.00 55.73 55.92 2wrn s ARG 24 Cb 0.00 -2.35 0.00 0.00 -0.57 0.00 0.00 34.95 32.03 2wrn s ARG 24 CO 0.00 -0.02 -0.10 1.03 -1.08 0.00 0.00 175.30 175.13 2wrn s ARG 25 N -3.60 1.08 0.00 3.89 0.52 -1.10 -5.00 118.95 114.74 2wrn s ARG 25 Ca 0.54 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2wrn s ARG 25 Cb -0.10 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.37 2wrn s ARG 25 CO 0.26 0.12 0.00 1.19 0.02 0.00 0.00 175.30 176.90 2wrn n PHE 26 N 3.30 0.00 0.00 -0.53 3.01 -1.26 -2.14 117.46 119.84 2wrn n PHE 26 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2wrn n PHE 26 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 2wrn n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wrn n ARG 27 N 0.00 0.00 -4.18 -1.08 0.63 -0.92 -4.76 116.66 106.35 2wrn n ARG 27 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 2wrn n ARG 27 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 2wrn n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wrn s PHE 28 N -2.00 1.26 -0.02 -0.14 0.40 -0.16 -1.88 117.98 115.44 2wrn s PHE 28 Ca 0.00 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 2wrn s PHE 28 Cb 0.00 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 2wrn s PHE 28 CO 0.00 0.07 -0.22 0.20 0.70 0.00 0.00 175.22 175.97 2wrn s GLY 29 N -1.82 1.38 -0.15 4.36 0.00 -0.24 -1.26 107.32 109.57 2wrn s GLY 29 Ca -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 2wrn s GLY 29 CO 0.02 -0.91 0.09 0.00 0.00 0.00 0.00 173.10 172.30 2wrn s ALA 30 N -0.68 0.38 -0.36 3.20 0.00 0.33 -2.29 121.76 122.34 2wrn s ALA 30 Ca 0.11 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 2wrn s ALA 30 Cb -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2wrn s ALA 30 CO 0.00 -1.07 0.25 -1.17 0.00 0.00 0.00 175.76 173.76 2wrn s LEU 31 N 2.15 4.67 0.11 0.00 1.98 -1.19 0.24 118.68 126.64 2wrn s LEU 31 Ca 0.02 -0.62 0.11 0.00 -2.89 0.00 0.00 54.13 50.75 2wrn s LEU 31 Cb -0.15 -2.12 -0.04 0.00 0.66 0.00 0.00 46.19 44.54 2wrn s LEU 31 CO -0.08 -0.31 -0.27 -0.69 -1.89 0.00 0.00 176.35 173.11 2wrn s VAL 32 N 1.68 2.21 -0.05 1.68 1.01 -0.64 -2.61 120.40 123.68 2wrn s VAL 32 Ca 0.05 -1.68 0.06 0.00 0.00 0.00 0.00 61.98 60.41 2wrn s VAL 32 Cb -0.18 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2wrn s VAL 32 CO 0.10 0.14 -0.23 -0.69 0.00 0.00 0.00 175.10 174.41 2wrn s VAL 33 N -1.01 1.90 -0.01 2.92 1.01 -0.79 -1.15 120.40 123.26 2wrn s VAL 33 Ca 0.13 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2wrn s VAL 33 Cb -0.10 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2wrn s VAL 33 CO 0.05 0.53 -0.07 0.54 0.00 0.00 0.00 175.10 176.15 2wrn s VAL 34 N -0.18 0.56 0.08 2.92 0.11 -1.13 -1.17 120.40 121.60 2wrn s VAL 34 Ca -0.02 -0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 58.48 2wrn s VAL 34 Cb -0.13 -0.49 0.08 0.00 -1.53 0.00 0.00 36.38 34.32 2wrn s VAL 34 CO 0.03 0.17 0.91 -0.83 -3.33 0.00 0.00 175.10 172.05 2wrn s GLY 35 N -0.06 -0.35 -0.29 6.54 0.00 -1.26 -0.22 107.32 111.68 2wrn s GLY 35 Ca 0.01 0.54 0.11 0.00 0.00 0.00 0.00 44.72 45.39 2wrn s GLY 35 CO -0.00 0.16 1.78 2.09 0.00 0.00 0.00 173.10 177.13 2wrn n ASP 36 N -0.36 5.19 -4.11 1.64 5.75 -1.05 -1.83 116.55 121.77 2wrn n ASP 36 Ca -0.08 -3.09 -0.34 0.00 -0.01 0.00 0.00 54.79 51.27 2wrn n ASP 36 Cb 0.61 -0.72 -0.07 0.00 -1.03 0.00 0.00 41.12 39.91 2wrn n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wrn n ARG 37 N 0.16 -0.80 -2.71 0.11 1.74 -0.73 -4.75 116.66 109.68 2wrn n ARG 37 Ca 0.36 0.11 -0.07 0.00 -0.77 0.00 0.00 57.85 57.47 2wrn n ARG 37 Cb 1.31 -3.81 0.10 0.00 -1.02 0.00 0.00 32.46 29.04 2wrn n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wrn n GLN 38 N -3.70 1.02 -1.00 5.56 1.13 -0.83 -4.49 117.38 115.06 2wrn n GLN 38 Ca 0.00 -1.74 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 2wrn n GLN 38 Cb 0.44 -0.42 0.00 0.00 0.11 0.00 0.00 30.24 30.38 2wrn n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wrn n GLY 39 N -0.18 0.55 2.95 1.08 0.00 0.22 -4.96 105.19 104.84 2wrn n GLY 39 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2wrn n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrn s ARG 40 N -0.08 0.27 0.26 1.61 0.52 -1.25 -0.16 118.95 120.13 2wrn s ARG 40 Ca 0.00 0.59 0.01 0.00 -0.52 0.00 0.00 55.73 55.81 2wrn s ARG 40 Cb 0.00 -0.42 -0.05 0.00 0.52 0.00 0.00 34.95 35.00 2wrn s ARG 40 CO 0.00 -0.51 0.12 0.14 0.02 0.00 0.00 175.30 175.07 2wrn s VAL 41 N 2.48 0.42 0.24 3.52 -7.23 -1.26 -2.53 120.40 116.04 2wrn s VAL 41 Ca 0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2wrn s VAL 41 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2wrn s VAL 41 CO -0.13 0.00 0.19 -0.83 -0.31 0.00 0.00 175.10 174.02 2wrn s GLY 42 N -3.31 1.60 -0.18 2.32 0.00 0.69 -2.44 107.32 106.00 2wrn s GLY 42 Ca 0.37 -1.74 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 2wrn s GLY 42 CO 0.15 -1.37 0.33 -2.27 0.00 0.00 0.00 173.10 169.94 2wrn s LEU 43 N -3.20 -0.46 -0.10 0.66 2.96 -1.14 -2.82 118.68 114.58 2wrn s LEU 43 Ca 0.38 0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2wrn s LEU 43 Cb 0.05 0.96 0.03 0.00 0.50 0.00 0.00 46.19 47.74 2wrn s LEU 43 CO 0.16 -0.26 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.08 2wrn s GLY 44 N 2.50 0.60 -0.50 7.98 0.00 -0.30 -4.56 107.32 113.03 2wrn s GLY 44 Ca 0.03 -0.32 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 2wrn s GLY 44 CO -0.12 1.09 0.58 -0.12 0.00 0.00 0.00 173.10 174.54 2wrn s PHE 45 N 1.89 3.09 -0.14 1.90 5.36 -1.25 -1.63 117.98 127.20 2wrn s PHE 45 Ca 0.04 -0.64 -0.07 0.00 -0.96 0.00 0.00 56.93 55.31 2wrn s PHE 45 Cb -0.13 -3.49 -0.04 0.00 -0.34 0.00 0.00 43.02 39.02 2wrn s PHE 45 CO -0.06 -1.00 0.10 0.20 -1.46 0.00 0.00 175.22 173.00 2wrn s GLY 46 N 2.72 2.04 -0.06 13.12 0.00 0.65 -4.82 107.32 120.97 2wrn s GLY 46 Ca 0.13 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.21 2wrn s GLY 46 CO 0.11 -0.25 -0.25 0.54 0.00 0.00 0.00 173.10 173.25 2wrn s LYS 47 N -0.52 2.59 0.08 2.90 3.01 -1.25 0.12 119.74 126.68 2wrn s LYS 47 Ca 0.11 -0.90 -0.26 0.00 -1.01 0.00 0.00 55.97 53.91 2wrn s LYS 47 Cb -0.12 -2.18 0.08 0.00 -1.01 0.00 0.00 37.83 34.61 2wrn s LYS 47 CO 0.02 0.37 0.69 0.00 0.51 0.00 0.00 175.35 176.94 2wrn s ALA 48 N -0.12 -1.69 -1.53 5.17 0.00 -0.39 -4.85 121.76 118.35 2wrn s ALA 48 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2wrn s ALA 48 Cb -0.14 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2wrn s ALA 48 CO 0.04 -0.68 0.65 -2.30 0.00 0.00 0.00 175.76 173.47 2wrn n PRO 49 N -0.15 0.00 -4.03 0.00 -0.02 -1.26 -0.99 135.00 128.55 2wrn n PRO 49 Ca -0.15 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 2wrn n PRO 49 Cb 0.63 -1.51 -0.11 0.00 -0.02 0.00 0.00 33.50 32.49 2wrn n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wrn s GLU 50 N -2.30 0.45 -0.10 -0.52 2.56 -1.26 -4.76 118.70 112.77 2wrn s GLU 50 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 54.97 54.07 2wrn s GLU 50 Cb 0.00 0.02 -0.08 0.00 2.00 0.00 0.00 34.13 36.07 2wrn s GLU 50 CO 0.00 -0.04 0.28 0.28 -0.56 0.00 0.00 175.26 175.23 2wrn h VAL 51 N 4.23 0.48 -0.85 3.70 2.07 -1.93 0.08 116.25 124.03 2wrn h VAL 51 Ca -0.33 -1.30 0.21 0.00 0.82 0.00 0.00 66.70 66.10 2wrn h VAL 51 Cb 1.19 0.89 -0.15 0.00 -1.52 0.00 0.00 31.29 31.71 2wrn h VAL 51 CO 0.47 0.16 0.10 -0.65 0.02 0.00 0.00 177.57 177.67 2wrn h PRO 52 N -1.00 0.12 0.00 1.57 0.11 -1.98 0.01 132.00 130.84 2wrn h PRO 52 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wrn h PRO 52 Cb 0.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2wrn h PRO 52 CO 0.01 0.08 0.00 -0.11 -0.21 0.00 0.00 178.00 177.77 2wrn n LEU 53 N -5.33 0.25 -0.14 2.35 0.00 -1.25 -1.27 117.00 111.61 2wrn n LEU 53 Ca 0.18 0.70 -0.02 0.00 0.00 0.00 0.00 56.01 56.87 2wrn n LEU 53 Cb 0.61 -0.30 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 2wrn n LEU 53 CO 0.03 -0.30 0.18 0.00 0.00 0.00 0.00 177.39 177.30 2wrn n ALA 54 N -1.41 -0.15 -0.00 1.96 0.00 0.02 0.43 120.51 121.35 2wrn n ALA 54 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 2wrn n ALA 54 Cb 0.00 -0.09 0.22 0.00 0.00 0.00 0.00 19.45 19.58 2wrn n ALA 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrn h VAL 55 N 0.00 1.24 -0.55 0.00 2.07 -1.10 0.93 116.25 118.85 2wrn h VAL 55 Ca 0.08 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 2wrn h VAL 55 Cb 0.17 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2wrn h VAL 55 CO -0.33 0.36 -0.09 -0.61 0.02 0.00 0.00 177.57 176.92 2wrn h GLN 56 N 0.49 1.03 0.08 1.57 -0.00 1.02 -1.94 115.11 117.36 2wrn h GLN 56 Ca 0.09 -0.38 -0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2wrn h GLN 56 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.96 2wrn h GLN 56 CO 0.03 1.07 -0.04 -0.22 0.00 0.00 0.00 178.83 179.67 2wrn h LYS 57 N 0.91 -0.11 -0.88 1.69 3.64 0.26 -2.30 116.57 119.79 2wrn h LYS 57 Ca 0.14 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.77 2wrn h LYS 57 Cb 0.66 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.36 2wrn h LYS 57 CO 0.05 0.25 0.22 0.00 -2.27 0.00 0.00 179.45 177.69 2wrn h ALA 58 N 0.39 1.26 -0.25 5.00 0.00 0.86 2.04 119.26 128.56 2wrn h ALA 58 Ca -0.01 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2wrn h ALA 58 Cb 0.41 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2wrn h ALA 58 CO 0.02 -0.48 0.68 0.78 0.00 0.00 0.00 179.25 180.26 2wrn h GLY 59 N 0.19 0.00 0.00 0.00 0.00 -0.74 0.82 103.07 103.34 2wrn h GLY 59 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2wrn h GLY 59 CO -0.67 0.00 0.00 2.98 0.00 0.00 0.00 176.54 178.85 2wrn n TYR 60 N -3.00 0.00 -0.42 5.60 9.36 0.69 -3.74 117.16 125.64 2wrn n TYR 60 Ca 0.05 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.61 2wrn n TYR 60 Cb 0.78 -0.12 0.65 0.00 -0.63 0.00 0.00 39.34 40.03 2wrn n TYR 60 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2wrn h TYR 61 N 0.00 0.41 -0.99 2.98 0.05 -1.51 1.35 116.97 119.25 2wrn h TYR 61 Ca 0.00 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.95 2wrn h TYR 61 Cb 0.00 -0.11 -0.16 0.00 1.01 0.00 0.00 36.73 37.47 2wrn h TYR 61 CO 0.01 -0.08 -0.38 0.00 -1.05 0.00 0.00 178.16 176.66 2wrn h ALA 62 N 1.50 0.18 0.00 3.88 0.00 -0.97 0.24 119.26 124.08 2wrn h ALA 62 Ca 0.73 0.28 -0.61 0.00 0.00 0.00 0.00 54.91 55.31 2wrn h ALA 62 Cb 2.39 1.00 0.01 0.00 0.00 0.00 0.00 17.79 21.19 2wrn h ALA 62 CO -0.27 -0.62 2.94 0.54 0.00 0.00 0.00 179.25 181.84 2wrn n ARG 63 N -5.48 2.48 0.00 0.00 1.74 0.46 -3.75 116.66 112.12 2wrn n ARG 63 Ca 0.10 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 2wrn n ARG 63 Cb 0.40 -2.90 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 2wrn n ARG 63 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wrn n ARG 64 N 5.43 0.00 -1.51 5.56 0.63 0.82 -5.01 116.66 122.59 2wrn n ARG 64 Ca 0.55 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.36 2wrn n ARG 64 Cb 0.30 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.11 2wrn n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wrn n ASN 65 N 0.00 0.93 -4.34 6.15 5.15 -1.21 -4.76 115.26 117.18 2wrn n ASN 65 Ca 0.00 -2.15 -0.25 0.00 -0.60 0.00 0.00 54.58 51.58 2wrn n ASN 65 Cb 0.00 -1.56 -0.09 0.00 -0.53 0.00 0.00 39.78 37.60 2wrn n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wrn s MET 66 N 8.17 1.85 0.15 1.20 -1.94 -1.26 -2.88 119.30 124.59 2wrn s MET 66 Ca 0.75 -2.10 -0.23 0.00 -1.71 0.00 0.00 55.69 52.40 2wrn s MET 66 Cb -0.08 -0.84 0.07 0.00 2.01 0.00 0.00 34.83 35.99 2wrn s MET 66 CO 0.16 -0.34 0.62 0.54 -0.01 0.00 0.00 175.02 175.99 2wrn s VAL 67 N -3.20 0.00 0.08 -6.03 0.11 -1.02 -4.97 120.40 105.37 2wrn s VAL 67 Ca 0.27 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.01 2wrn s VAL 67 Cb 0.05 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.82 2wrn s VAL 67 CO 0.14 0.00 1.51 -1.83 -3.33 0.00 0.00 175.10 171.59 2wrn s GLU 68 N -3.68 4.25 -0.72 1.54 -1.05 -1.26 -4.06 118.70 113.73 2wrn s GLU 68 Ca 0.01 2.18 0.02 0.00 -0.15 0.00 0.00 54.97 57.03 2wrn s GLU 68 Cb -0.01 -3.44 0.18 0.00 -0.44 0.00 0.00 34.13 30.42 2wrn s GLU 68 CO -0.12 -0.60 0.53 0.08 0.95 0.00 0.00 175.26 176.10 2wrn s VAL 69 N 1.98 3.35 -0.67 1.83 1.01 0.78 -4.83 120.40 123.85 2wrn s VAL 69 Ca 0.68 -3.88 -0.26 0.00 0.00 0.00 0.00 61.98 58.51 2wrn s VAL 69 Cb -0.37 -3.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 2wrn s VAL 69 CO 0.30 -0.98 2.48 -0.81 0.00 0.00 0.00 175.10 176.08 2wrn n PRO 70 N 2.40 0.69 -2.11 2.72 -0.04 -1.26 -4.54 135.00 132.85 2wrn n PRO 70 Ca 0.17 -0.10 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2wrn n PRO 70 Cb 0.35 -2.90 0.18 0.00 -0.04 0.00 0.00 33.50 31.09 2wrn n PRO 70 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wrn s LEU 71 N 11.24 2.79 -0.37 1.53 1.43 -1.26 -4.36 118.68 129.69 2wrn s LEU 71 Ca 1.08 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 2wrn s LEU 71 Cb -0.46 -2.11 0.20 0.00 0.03 0.00 0.00 46.19 43.86 2wrn s LEU 71 CO 0.31 -2.59 1.01 -1.10 0.23 0.00 0.00 176.35 174.21 2wrn s GLN 72 N -5.73 0.36 -0.64 1.70 -0.21 -1.24 -4.89 119.66 109.01 2wrn s GLN 72 Ca 0.73 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.77 2wrn s GLN 72 Cb -0.03 -0.00 0.00 0.00 1.00 0.00 0.00 33.01 33.98 2wrn s GLN 72 CO 0.51 -0.46 0.55 -1.71 -2.12 0.00 0.00 175.29 172.06 2wrn n ASN 73 N 2.96 -3.72 -1.31 5.90 4.05 -1.26 -3.56 115.26 118.33 2wrn n ASN 73 Ca 0.11 -0.27 -0.11 0.00 0.45 0.00 0.00 54.58 54.76 2wrn n ASN 73 Cb 0.63 -2.69 -0.00 0.00 1.23 0.00 0.00 39.78 38.94 2wrn n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wrn n GLY 74 N -1.20 -0.08 0.00 8.20 0.00 -1.26 -4.77 105.19 106.08 2wrn n GLY 74 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wrn n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wrn n THR 75 N -4.00 0.00 -3.96 2.61 5.66 -1.23 0.31 114.28 113.66 2wrn n THR 75 Ca -0.13 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.61 2wrn n THR 75 Cb 0.60 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.34 2wrn n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wrn s ILE 76 N -0.41 5.21 -0.47 1.09 2.07 -1.26 -3.70 121.20 123.72 2wrn s ILE 76 Ca 0.00 -0.75 0.23 0.00 -1.41 0.00 0.00 60.65 58.73 2wrn s ILE 76 Cb 0.00 -3.69 0.04 0.00 0.13 0.00 0.00 42.46 38.94 2wrn s ILE 76 CO 0.00 -0.10 1.22 1.55 -1.91 0.00 0.00 174.94 175.70 2wrn h PRO 77 N 2.14 0.00 -0.68 3.50 0.13 -1.90 -3.44 132.00 131.76 2wrn h PRO 77 Ca -0.48 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.87 2wrn h PRO 77 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 2wrn h PRO 77 CO 0.68 0.00 0.66 -3.38 -0.23 0.00 0.00 178.00 175.73 2wrn s HIS 78 N -3.25 -0.07 -0.14 1.56 -3.43 -1.26 -5.00 115.29 103.70 2wrn s HIS 78 Ca 0.04 0.14 -0.42 0.00 -0.80 0.00 0.00 55.06 54.02 2wrn s HIS 78 Cb 0.11 0.04 -0.20 0.00 -1.43 0.00 0.00 32.58 31.11 2wrn s HIS 78 CO 0.75 -0.04 1.23 -0.85 -2.00 0.00 0.00 174.74 173.83 2wrn n GLU 79 N 3.68 0.03 -3.99 -0.38 0.28 -1.26 -4.82 120.64 114.17 2wrn n GLU 79 Ca -0.13 0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.80 2wrn n GLU 79 Cb 0.56 -1.51 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 2wrn n GLU 79 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2wrn s ILE 80 N 0.89 0.18 -0.03 3.84 -4.36 0.43 -4.91 121.20 117.24 2wrn s ILE 80 Ca 0.95 -1.45 0.04 0.00 -0.26 0.00 0.00 60.65 59.93 2wrn s ILE 80 Cb -1.33 -1.25 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 2wrn s ILE 80 CO 0.64 -0.80 -0.16 -1.61 0.24 0.00 0.00 174.94 173.25 2wrn s GLU 81 N -3.45 1.51 -0.20 0.37 2.02 -1.26 0.19 118.70 117.88 2wrn s GLU 81 Ca 0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 2wrn s GLU 81 Cb 0.04 -1.37 0.10 0.00 0.10 0.00 0.00 34.13 33.00 2wrn s GLU 81 CO -0.08 0.27 0.34 0.08 0.02 0.00 0.00 175.26 175.88 2wrn s VAL 82 N -0.11 -0.53 0.07 2.63 1.01 -1.04 -4.99 120.40 117.44 2wrn s VAL 82 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2wrn s VAL 82 Cb -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2wrn s VAL 82 CO 0.01 -0.03 0.29 -1.61 0.00 0.00 0.00 175.10 173.75 2wrn s GLU 83 N 2.50 3.55 -0.87 2.72 2.02 -1.26 -2.96 118.70 124.40 2wrn s GLU 83 Ca 0.06 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.86 2wrn s GLU 83 Cb -0.14 -2.99 0.33 0.00 0.10 0.00 0.00 34.13 31.43 2wrn s GLU 83 CO -0.13 0.58 1.61 0.34 0.02 0.00 0.00 175.26 177.68 2wrn n PHE 84 N 0.53 3.14 0.00 1.61 7.35 0.71 -4.86 117.46 125.94 2wrn n PHE 84 Ca -0.06 -2.91 0.00 0.00 -0.76 0.00 0.00 57.45 53.72 2wrn n PHE 84 Cb 0.52 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.38 2wrn n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wrn n GLY 85 N -0.19 0.11 0.00 7.13 0.00 -1.26 -3.81 105.19 107.18 2wrn n GLY 85 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2wrn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn n ALA 86 N 0.00 0.00 -2.22 4.61 0.00 -1.26 -4.99 120.51 116.65 2wrn n ALA 86 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 2wrn n ALA 86 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2wrn n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wrn s SER 87 N -1.86 7.03 -0.16 0.00 0.01 -1.25 -3.99 113.70 113.49 2wrn s SER 87 Ca 0.00 1.29 -0.00 0.00 1.31 0.00 0.00 55.95 58.55 2wrn s SER 87 Cb 0.00 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.86 2wrn s SER 87 CO 0.00 0.15 -0.14 -0.75 0.41 0.00 0.00 173.24 172.91 2wrn s LYS 88 N -1.59 3.24 0.17 12.44 2.20 -1.11 -0.21 119.74 134.88 2wrn s LYS 88 Ca 0.36 -0.74 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 2wrn s LYS 88 Cb -0.18 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 2wrn s LYS 88 CO 0.20 0.01 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.68 2wrn s ILE 89 N 0.83 3.59 -0.14 5.43 2.07 -1.15 -0.93 121.20 130.89 2wrn s ILE 89 Ca -0.05 -1.45 -0.00 0.00 -1.41 0.00 0.00 60.65 57.74 2wrn s ILE 89 Cb -0.15 -2.79 0.03 0.00 0.13 0.00 0.00 42.46 39.68 2wrn s ILE 89 CO -0.00 -0.09 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.18 2wrn s VAL 90 N -1.67 1.12 0.12 4.00 1.01 -0.79 -2.50 120.40 121.68 2wrn s VAL 90 Ca 0.26 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2wrn s VAL 90 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2wrn s VAL 90 CO 0.17 0.26 0.06 -0.76 0.00 0.00 0.00 175.10 174.84 2wrn s LEU 91 N 1.65 3.64 -0.10 3.92 1.02 0.13 -2.78 118.68 126.16 2wrn s LEU 91 Ca 0.03 -0.14 -0.30 0.00 0.02 0.00 0.00 54.13 53.74 2wrn s LEU 91 Cb -0.14 -2.31 0.08 0.00 0.02 0.00 0.00 46.19 43.84 2wrn s LEU 91 CO -0.08 0.13 0.74 -0.75 0.02 0.00 0.00 176.35 176.41 2wrn s LYS 92 N -2.65 0.95 1.11 1.70 2.20 -0.90 -0.43 119.74 121.72 2wrn s LYS 92 Ca 0.29 0.34 -0.19 0.00 -0.36 0.00 0.00 55.97 56.05 2wrn s LYS 92 Cb -0.11 0.45 0.09 0.00 -1.51 0.00 0.00 37.83 36.75 2wrn s LYS 92 CO 0.21 -0.27 -0.11 -2.30 -0.36 0.00 0.00 175.35 172.51 2wrn n PRO 93 N 1.14 -1.57 -3.24 4.03 -0.02 -1.26 -2.72 135.00 131.35 2wrn n PRO 93 Ca -0.17 -0.45 0.03 0.00 -2.02 0.00 0.00 63.50 60.90 2wrn n PRO 93 Cb 0.57 -1.63 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 2wrn n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrn s ALA 94 N -2.20 -3.13 0.79 3.55 0.00 -1.25 -4.30 121.76 115.21 2wrn s ALA 94 Ca 0.53 1.86 -0.11 0.00 0.00 0.00 0.00 51.96 54.24 2wrn s ALA 94 Cb -0.09 -2.23 0.07 0.00 0.00 0.00 0.00 23.12 20.87 2wrn s ALA 94 CO 0.64 -0.96 1.09 0.00 0.00 0.00 0.00 175.76 176.54 2wrn s ALA 95 N 2.12 2.14 0.91 0.00 0.00 -1.26 -4.72 121.76 120.95 2wrn s ALA 95 Ca -0.00 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 2wrn s ALA 95 Cb -0.02 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2wrn s ALA 95 CO -0.16 -1.89 0.28 -2.30 0.00 0.00 0.00 175.76 171.69 2wrn n PRO 96 N -3.60 -0.15 -2.72 0.00 -0.02 -1.26 -4.04 135.00 123.20 2wrn n PRO 96 Ca 0.09 -0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 2wrn n PRO 96 Cb 0.53 -1.75 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 2wrn n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrn n GLY 97 N 1.76 0.46 1.80 -1.23 0.00 -1.26 -4.95 105.19 101.78 2wrn n GLY 97 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2wrn n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrn n THR 98 N -2.92 0.16 0.00 2.61 -1.04 -1.26 -5.17 114.28 106.67 2wrn n THR 98 Ca -0.02 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2wrn n THR 98 Cb 0.52 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 2wrn n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrn n GLY 99 N 1.91 -1.45 3.90 3.41 0.00 -0.61 -4.97 105.19 107.37 2wrn n GLY 99 Ca 0.00 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2wrn n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wrn s VAL 100 N 0.00 5.16 -0.21 1.61 -7.23 -1.26 -0.80 120.40 117.67 2wrn s VAL 100 Ca 0.00 -0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2wrn s VAL 100 Cb 0.00 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.37 2wrn s VAL 100 CO 0.00 -0.01 0.07 -0.63 -0.31 0.00 0.00 175.10 174.22 2wrn s ILE 101 N -1.71 0.30 0.10 -0.62 -1.09 -1.20 -4.93 121.20 112.05 2wrn s ILE 101 Ca 0.41 -0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.19 2wrn s ILE 101 Cb -0.12 -0.95 0.03 0.00 -1.58 0.00 0.00 42.46 39.85 2wrn s ILE 101 CO 0.25 -0.34 0.47 0.00 -1.23 0.00 0.00 174.94 174.09 2wrn n ALA 102 N 5.13 -1.22 -1.09 9.38 0.00 -1.26 -1.97 120.51 129.47 2wrn n ALA 102 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2wrn n ALA 102 Cb 0.47 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2wrn n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 103 N -0.33 -0.14 1.04 0.00 0.00 -1.26 -4.85 105.19 99.66 2wrn n GLY 103 Ca -0.01 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.47 2wrn n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn n ALA 104 N -3.00 2.34 -0.11 4.61 0.00 -1.26 -3.30 120.51 119.78 2wrn n ALA 104 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.13 2wrn n ALA 104 Cb 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 2wrn n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrn n VAL 105 N 1.23 1.30 0.05 0.00 0.31 -1.26 -3.66 118.33 116.30 2wrn n VAL 105 Ca 0.18 -0.45 -0.08 0.00 -0.01 0.00 0.00 64.34 63.99 2wrn n VAL 105 Cb 0.54 -1.44 -0.12 0.00 -0.91 0.00 0.00 33.84 31.91 2wrn n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2wrn h PRO 106 N -0.23 0.01 -0.19 5.55 0.13 -1.94 -3.29 132.00 132.03 2wrn h PRO 106 Ca -0.53 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.39 2wrn h PRO 106 Cb 1.71 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.86 2wrn h PRO 106 CO -0.16 0.92 -0.61 -0.09 -0.23 0.00 0.00 178.00 177.84 2wrn h ARG 107 N 0.00 0.75 0.00 0.86 2.43 -1.79 0.63 114.38 117.27 2wrn h ARG 107 Ca -0.06 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 2wrn h ARG 107 Cb 1.82 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 2wrn h ARG 107 CO 0.12 1.17 0.00 0.00 -1.51 0.00 0.00 179.97 179.76 2wrn n ALA 108 N -2.57 1.30 -0.00 2.80 0.00 -1.24 -0.21 120.51 120.58 2wrn n ALA 108 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 2wrn n ALA 108 Cb 0.66 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2wrn n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrn n ILE 109 N -1.30 0.95 0.29 0.00 5.41 -0.97 -4.32 119.36 119.42 2wrn n ILE 109 Ca 0.01 0.18 0.19 0.00 1.00 0.00 0.00 62.75 64.13 2wrn n ILE 109 Cb 0.02 -1.70 0.97 0.00 -0.71 0.00 0.00 39.64 38.22 2wrn n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wrn h LEU 110 N -0.24 0.00 0.16 1.39 3.38 0.46 0.48 115.31 120.94 2wrn h LEU 110 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 2wrn h LEU 110 Cb 0.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.35 2wrn h LEU 110 CO -0.04 0.00 -1.01 -0.33 0.09 0.00 0.00 178.44 177.15 2wrn h GLU 111 N 0.00 0.35 0.00 1.13 5.08 -0.81 -1.91 114.58 118.41 2wrn h GLU 111 Ca 0.03 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2wrn h GLU 111 Cb 0.33 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2wrn h GLU 111 CO -0.00 1.28 0.00 1.28 -1.00 0.00 0.00 179.01 180.57 2wrn n LEU 112 N -4.02 0.00 0.10 1.33 4.77 -0.14 -3.02 117.00 116.01 2wrn n LEU 112 Ca -0.16 0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 56.09 2wrn n LEU 112 Cb 0.89 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 2wrn n LEU 112 CO 0.51 -0.03 -0.02 0.00 -1.33 0.00 0.00 177.39 176.52 2wrn h ALA 113 N 3.02 0.09 0.00 -1.18 0.00 -0.21 -1.95 119.26 119.03 2wrn h ALA 113 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2wrn h ALA 113 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wrn h ALA 113 CO 0.00 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.45 2wrn n GLY 114 N 1.35 0.16 3.73 0.00 0.00 -1.17 0.70 105.19 109.96 2wrn n GLY 114 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2wrn n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrn s VAL 115 N -1.10 2.68 0.00 1.61 1.01 -0.72 -4.69 120.40 119.19 2wrn s VAL 115 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2wrn s VAL 115 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2wrn s VAL 115 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.10 175.28 2wrn n THR 116 N -3.18 0.00 -3.05 3.92 -1.04 0.93 -4.67 114.28 107.18 2wrn n THR 116 Ca 0.11 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.08 2wrn n THR 116 Cb 0.52 0.60 -0.01 0.00 -1.82 0.00 0.00 70.33 69.61 2wrn n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wrn s ASP 117 N 0.00 -1.04 0.17 8.00 1.01 -0.68 -1.58 116.67 122.55 2wrn s ASP 117 Ca 0.00 -1.41 0.03 0.00 0.71 0.00 0.00 52.55 51.88 2wrn s ASP 117 Cb 0.00 1.65 -0.05 0.00 1.01 0.00 0.00 42.92 45.53 2wrn s ASP 117 CO 0.00 -0.13 -0.03 -0.51 0.21 0.00 0.00 175.17 174.71 2wrn s ILE 118 N 1.29 0.84 -0.10 0.77 1.10 0.02 -3.86 121.20 121.25 2wrn s ILE 118 Ca 0.23 -2.00 0.02 0.00 -0.51 0.00 0.00 60.65 58.39 2wrn s ILE 118 Cb -0.03 -2.04 0.01 0.00 0.15 0.00 0.00 42.46 40.55 2wrn s ILE 118 CO -0.06 -0.56 -0.18 -0.76 -2.11 0.00 0.00 174.94 171.26 2wrn s LEU 119 N -3.18 1.85 0.08 8.50 1.43 -1.10 -3.26 118.68 123.01 2wrn s LEU 119 Ca 0.21 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2wrn s LEU 119 Cb 0.05 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2wrn s LEU 119 CO 0.03 0.06 -0.09 0.28 0.23 0.00 0.00 176.35 176.86 2wrn s THR 120 N 0.77 0.81 -0.18 5.49 -1.32 -0.83 -2.12 115.64 118.25 2wrn s THR 120 Ca -0.11 -1.53 -0.13 0.00 -1.21 0.00 0.00 61.69 58.70 2wrn s THR 120 Cb -0.16 -1.22 0.05 0.00 -1.51 0.00 0.00 72.50 69.67 2wrn s THR 120 CO 0.02 -0.55 0.46 -0.75 -2.21 0.00 0.00 174.62 171.59 2wrn s LYS 121 N -2.62 0.50 -0.25 7.08 2.47 -1.12 -4.68 119.74 121.12 2wrn s LYS 121 Ca 0.02 0.76 -0.09 0.00 -1.56 0.00 0.00 55.97 55.10 2wrn s LYS 121 Cb -0.04 0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.43 2wrn s LYS 121 CO -0.01 -0.11 0.12 -1.21 0.16 0.00 0.00 175.35 174.30 2wrn s GLU 122 N 0.84 3.82 0.01 4.03 2.02 -1.26 -1.89 118.70 126.27 2wrn s GLU 122 Ca -0.05 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2wrn s GLU 122 Cb -0.05 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.72 2wrn s GLU 122 CO -0.07 -0.13 0.00 1.28 0.02 0.00 0.00 175.26 176.36 2wrn n LEU 123 N 4.82 0.00 0.00 1.80 4.77 -0.11 -4.96 117.00 123.32 2wrn n LEU 123 Ca -0.15 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2wrn n LEU 123 Cb 0.52 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2wrn n LEU 123 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2wrn n GLY 124 N 3.60 1.02 0.00 -0.72 0.00 -1.26 -2.74 105.19 105.08 2wrn n GLY 124 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2wrn n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wrn n SER 125 N 4.01 0.00 0.00 1.61 2.88 -1.26 -4.88 113.62 115.98 2wrn n SER 125 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wrn n SER 125 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wrn n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wrn n ARG 126 N 0.00 0.00 -1.52 -1.46 1.74 -1.26 -4.89 116.66 109.27 2wrn n ARG 126 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2wrn n ARG 126 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2wrn n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wrn n ASN 127 N 0.00 2.12 -0.51 0.55 2.85 -1.26 -4.76 115.26 114.25 2wrn n ASN 127 Ca 0.00 -0.05 0.43 0.00 -0.11 0.00 0.00 54.58 54.84 2wrn n ASN 127 Cb 0.21 -1.40 0.75 0.00 1.24 0.00 0.00 39.78 40.58 2wrn n ASN 127 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wrn h PRO 128 N 15.88 0.04 -0.03 1.20 0.11 -1.97 0.23 132.00 147.46 2wrn h PRO 128 Ca -0.25 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 2wrn h PRO 128 Cb 1.28 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.39 2wrn h PRO 128 CO 1.13 0.02 -0.37 0.82 -0.21 0.00 0.00 178.00 179.39 2wrn h ILE 129 N 0.04 1.47 0.52 4.15 2.04 -1.98 0.45 117.51 124.19 2wrn h ILE 129 Ca 0.78 -1.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 2wrn h ILE 129 Cb 2.94 2.56 0.01 0.00 -0.74 0.00 0.00 36.82 41.59 2wrn h ILE 129 CO -0.11 0.54 -0.25 0.78 0.00 0.00 0.00 178.15 179.11 2wrn h ASN 130 N -0.27 -0.59 -0.68 1.72 4.21 -1.24 -2.25 115.58 116.48 2wrn h ASN 130 Ca -0.04 -0.05 0.13 0.00 1.21 0.00 0.00 56.30 57.55 2wrn h ASN 130 Cb 1.07 0.15 -0.13 0.00 -1.12 0.00 0.00 38.32 38.29 2wrn h ASN 130 CO 0.07 -0.20 -0.20 0.40 -1.29 0.00 0.00 177.43 176.22 2wrn h ILE 131 N -1.06 0.29 -0.83 2.81 1.08 -0.77 0.51 117.51 119.54 2wrn h ILE 131 Ca -0.07 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.58 2wrn h ILE 131 Cb 0.60 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 34.53 2wrn h ILE 131 CO 0.12 0.00 0.35 0.00 -0.69 0.00 0.00 178.15 177.93 2wrn h ALA 132 N 1.59 1.25 -0.07 1.87 0.00 -0.83 -0.28 119.26 122.79 2wrn h ALA 132 Ca 0.32 0.14 -0.24 0.00 0.00 0.00 0.00 54.91 55.13 2wrn h ALA 132 Cb 0.51 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wrn h ALA 132 CO -0.71 -0.26 -0.90 1.88 0.00 0.00 0.00 179.25 179.27 2wrn h TYR 133 N 0.44 1.03 -0.52 0.00 0.99 0.45 -3.00 116.97 116.36 2wrn h TYR 133 Ca 0.49 -0.51 0.05 0.00 2.00 0.00 0.00 58.73 60.76 2wrn h TYR 133 Cb 0.83 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 38.39 2wrn h TYR 133 CO -0.15 1.35 0.35 0.00 -0.00 0.00 0.00 178.16 179.70 2wrn h ALA 134 N 0.46 1.86 -0.57 3.88 0.00 0.28 -2.78 119.26 122.38 2wrn h ALA 134 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wrn h ALA 134 Cb 1.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2wrn h ALA 134 CO 0.18 0.06 0.00 2.41 0.00 0.00 0.00 179.25 181.90 2wrn n THR 135 N -4.47 0.00 0.00 0.00 -1.04 -0.19 -1.77 114.28 106.81 2wrn n THR 135 Ca 0.07 1.41 0.00 0.00 -2.04 0.00 0.00 64.05 63.48 2wrn n THR 135 Cb 0.22 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.42 2wrn n THR 135 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2wrn n MET 136 N -1.89 0.00 -0.29 -2.82 2.00 -1.10 0.62 117.12 113.64 2wrn n MET 136 Ca 0.00 0.40 0.22 0.00 0.00 0.00 0.00 57.70 58.32 2wrn n MET 136 Cb 0.00 -0.86 0.34 0.00 0.00 0.00 0.00 33.22 32.70 2wrn n MET 136 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wrn n GLU 137 N -0.85 -0.00 0.15 0.03 0.00 -1.07 0.26 120.64 119.16 2wrn n GLU 137 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 57.16 57.59 2wrn n GLU 137 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 31.44 30.32 2wrn n GLU 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wrn h ALA 138 N 0.50 -0.77 -0.75 4.31 0.00 0.10 -3.00 119.26 119.66 2wrn h ALA 138 Ca 0.40 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.44 2wrn h ALA 138 Cb 1.55 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2wrn h ALA 138 CO -0.05 -0.74 0.59 -0.07 0.00 0.00 0.00 179.25 178.98 2wrn h LEU 139 N -0.57 0.00 -2.58 0.00 3.38 0.41 0.49 115.31 116.44 2wrn h LEU 139 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wrn h LEU 139 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wrn h LEU 139 CO 0.07 0.00 0.03 -0.09 0.09 0.00 0.00 178.44 178.54 2wrn h ARG 140 N 0.00 0.00 -0.61 1.13 2.43 -0.90 -1.88 114.38 114.55 2wrn h ARG 140 Ca 0.36 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.21 2wrn h ARG 140 Cb 1.53 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.89 2wrn h ARG 140 CO -0.00 0.00 0.21 1.04 -1.51 0.00 0.00 179.97 179.70 2wrn n GLN 141 N -3.61 2.03 -3.34 0.20 6.02 0.17 -4.99 117.38 113.86 2wrn n GLN 141 Ca -0.03 -3.12 -0.38 0.00 -0.01 0.00 0.00 57.00 53.46 2wrn n GLN 141 Cb 0.11 -1.96 -0.06 0.00 1.02 0.00 0.00 30.24 29.35 2wrn n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wrn s LEU 142 N -3.27 4.36 0.00 1.08 1.43 -0.71 -5.08 118.68 116.50 2wrn s LEU 142 Ca 0.50 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2wrn s LEU 142 Cb 0.44 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2wrn s LEU 142 CO 0.04 0.12 0.00 -0.13 0.23 0.00 0.00 176.35 176.61 2wrn s ARG 143 N -0.04 0.13 0.33 1.70 1.81 -1.26 -4.79 118.95 116.83 2wrn s ARG 143 Ca 0.26 -0.21 -0.03 0.00 -1.72 0.00 0.00 55.73 54.03 2wrn s ARG 143 Cb -0.16 0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.34 2wrn s ARG 143 CO 0.13 -0.02 0.57 0.95 -0.68 0.00 0.00 175.30 176.25 2wrn s THR 144 N -0.54 5.05 0.39 0.02 -4.23 -1.26 -4.79 115.64 110.28 2wrn s THR 144 Ca -0.06 -0.14 0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2wrn s THR 144 Cb -0.04 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.37 2wrn s THR 144 CO -0.00 -0.48 1.83 0.50 -0.54 0.00 0.00 174.62 175.93 2wrn h LYS 145 N 1.15 0.48 0.00 3.99 3.64 -1.98 -2.12 116.57 121.73 2wrn h LYS 145 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2wrn h LYS 145 Cb 1.20 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2wrn h LYS 145 CO 0.64 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 2wrn n ALA 146 N -2.47 0.00 0.71 5.00 0.00 -1.26 -0.11 120.51 122.37 2wrn n ALA 146 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.68 2wrn n ALA 146 Cb 0.70 0.19 0.19 0.00 0.00 0.00 0.00 19.45 20.53 2wrn n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrn n ASP 147 N -0.77 0.00 -0.01 0.00 3.85 -1.10 -2.75 116.55 115.76 2wrn n ASP 147 Ca 0.00 -0.50 -0.00 0.00 -0.71 0.00 0.00 54.79 53.57 2wrn n ASP 147 Cb 0.00 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2wrn n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2wrn h VAL 148 N 0.00 0.00 0.00 2.12 2.07 0.17 -3.33 116.25 117.28 2wrn h VAL 148 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2wrn h VAL 148 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2wrn h VAL 148 CO 0.00 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.75 2wrn n GLU 149 N -2.68 0.55 -0.03 1.57 0.28 0.47 0.38 120.64 121.16 2wrn n GLU 149 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.02 2wrn n GLU 149 Cb 0.02 -1.25 -0.15 0.00 1.43 0.00 0.00 31.44 31.49 2wrn n GLU 149 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2wrn n ARG 150 N 0.48 0.66 -0.11 3.44 0.63 -1.15 -3.84 116.66 116.77 2wrn n ARG 150 Ca 0.00 -0.09 0.10 0.00 -0.92 0.00 0.00 57.85 56.95 2wrn n ARG 150 Cb 0.21 -1.56 0.15 0.00 0.45 0.00 0.00 32.46 31.71 2wrn n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wrn n LEU 151 N -2.50 3.05 -1.46 6.15 4.77 0.16 -4.21 117.00 122.96 2wrn n LEU 151 Ca -0.14 -1.34 -0.12 0.00 -0.03 0.00 0.00 56.01 54.37 2wrn n LEU 151 Cb 0.79 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.85 2wrn n LEU 151 CO 0.44 0.62 0.42 0.54 -1.33 0.00 0.00 177.39 178.09 2wrn n ARG 152 N 1.23 2.62 0.00 3.23 1.74 -1.20 -4.91 116.66 119.37 2wrn n ARG 152 Ca 0.15 -3.67 0.00 0.00 -0.77 0.00 0.00 57.85 53.56 2wrn n ARG 152 Cb 0.53 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2wrn n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wrn n LYS 153 N -0.93 0.00 -2.20 5.56 4.76 -1.26 -4.98 118.16 119.12 2wrn n LYS 153 Ca 0.36 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.75 2wrn n LYS 153 Cb 0.88 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 34.09 2wrn n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrn n GLY 154 N 1.68 -0.14 0.00 0.72 0.00 -1.26 -5.14 105.19 101.05 2wrn n GLY 154 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wrn n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11