#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnr s ILE 2 N 0.00 3.00 -0.50 1.12 1.01 -1.26 -5.08 121.20 119.49 1wnr s ILE 2 Ca 0.00 -1.58 -0.22 0.00 0.00 0.00 0.00 60.65 58.86 1wnr s ILE 2 Cb 0.00 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1wnr s ILE 2 CO 0.00 -0.25 0.75 -0.75 0.00 0.00 0.00 174.94 174.69 1wnr s LYS 3 N 1.21 3.26 0.39 2.79 2.20 -1.26 -4.86 119.74 123.47 1wnr s LYS 3 Ca -0.02 -0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 1wnr s LYS 3 Cb -0.20 -4.03 -0.09 0.00 -1.51 0.00 0.00 37.83 32.00 1wnr s LYS 3 CO -0.02 -1.24 1.31 -2.14 -0.36 0.00 0.00 175.35 172.90 1wnr s PRO 4 N 3.17 4.04 -0.13 4.03 0.02 -1.26 -4.98 135.00 139.89 1wnr s PRO 4 Ca 0.24 2.19 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 1wnr s PRO 4 Cb -0.15 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1wnr s PRO 4 CO 0.17 -0.45 0.12 -0.51 -0.33 0.00 0.00 177.00 176.01 1wnr s LEU 5 N -2.31 4.27 0.00 -5.54 1.43 -1.26 -4.33 118.68 110.94 1wnr s LEU 5 Ca 0.55 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1wnr s LEU 5 Cb -0.39 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1wnr s LEU 5 CO 0.50 0.37 0.00 0.61 0.23 0.00 0.00 176.35 178.06 1wnr n GLY 6 N 2.26 3.21 1.90 -3.19 0.00 -1.26 -3.33 105.19 104.78 1wnr n GLY 6 Ca -0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1wnr n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wnr n ASP 7 N 5.98 5.64 -4.38 1.61 2.03 -1.23 -0.14 116.55 126.06 1wnr n ASP 7 Ca 0.00 -2.65 -0.19 0.00 0.52 0.00 0.00 54.79 52.47 1wnr n ASP 7 Cb 0.00 -1.25 -0.10 0.00 -0.72 0.00 0.00 41.12 39.05 1wnr n ASP 7 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1wnr s ARG 8 N -0.14 1.50 0.10 -0.67 0.52 -1.21 -0.69 118.95 118.35 1wnr s ARG 8 Ca 0.39 -1.81 -0.03 0.00 -0.52 0.00 0.00 55.73 53.77 1wnr s ARG 8 Cb 0.22 -0.60 -0.03 0.00 0.52 0.00 0.00 34.95 35.06 1wnr s ARG 8 CO -0.03 -0.20 0.06 0.14 0.02 0.00 0.00 175.30 175.28 1wnr s VAL 9 N -3.49 0.15 -0.11 3.52 -7.23 0.23 0.41 120.40 113.88 1wnr s VAL 9 Ca 0.35 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1wnr s VAL 9 Cb 0.08 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1wnr s VAL 9 CO 0.13 -0.68 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.35 1wnr s VAL 10 N -3.97 2.40 0.23 1.32 1.01 -0.05 -1.39 120.40 119.95 1wnr s VAL 10 Ca 0.15 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1wnr s VAL 10 Cb 0.07 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1wnr s VAL 10 CO -0.04 0.55 -0.13 0.68 0.00 0.00 0.00 175.10 176.16 1wnr s VAL 11 N 0.32 1.82 -0.25 2.92 -7.23 -0.05 -0.49 120.40 117.45 1wnr s VAL 11 Ca -0.16 -2.22 -0.06 0.00 -1.81 0.00 0.00 61.98 57.74 1wnr s VAL 11 Cb -0.17 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1wnr s VAL 11 CO 0.08 -0.49 0.02 -0.75 -0.31 0.00 0.00 175.10 173.65 1wnr s LYS 12 N -3.65 3.38 1.10 4.82 2.47 -0.31 -1.54 119.74 126.01 1wnr s LYS 12 Ca 0.25 -0.65 -0.13 0.00 -1.56 0.00 0.00 55.97 53.88 1wnr s LYS 12 Cb -0.00 -3.20 0.21 0.00 -1.46 0.00 0.00 37.83 33.37 1wnr s LYS 12 CO 0.09 -0.26 0.81 -2.13 0.16 0.00 0.00 175.35 174.02 1wnr n ARG 13 N 4.85 -1.73 0.00 4.03 0.63 -1.26 -1.08 116.66 122.11 1wnr n ARG 13 Ca -0.17 -0.47 0.00 0.00 -0.92 0.00 0.00 57.85 56.30 1wnr n ARG 13 Cb 0.50 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1wnr n ARG 13 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1wnr n ILE 14 N -4.63 0.00 0.00 5.15 5.41 -0.59 -4.74 119.36 119.96 1wnr n ILE 14 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1wnr n ILE 14 Cb 0.55 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 1wnr n ILE 14 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1wnr n PRO 34 N -2.59 0.00 -4.30 0.38 -0.02 -1.26 -4.68 135.00 122.54 1wnr n PRO 34 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1wnr n PRO 34 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.60 1wnr n PRO 34 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1wnr s GLN 35 N 0.00 1.97 0.12 -0.52 -1.52 -0.04 -4.86 119.66 114.80 1wnr s GLN 35 Ca 0.00 -1.24 0.11 0.00 -1.95 0.00 0.00 55.36 52.27 1wnr s GLN 35 Cb 0.00 -2.14 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 1wnr s GLN 35 CO 0.00 0.45 -0.26 0.15 -0.25 0.00 0.00 175.29 175.38 1wnr s LYS 36 N -2.60 1.48 0.08 2.91 1.02 -1.26 -1.34 119.74 120.03 1wnr s LYS 36 Ca 0.23 -1.31 -0.26 0.00 0.02 0.00 0.00 55.97 54.65 1wnr s LYS 36 Cb -0.09 -1.93 0.07 0.00 -0.52 0.00 0.00 37.83 35.36 1wnr s LYS 36 CO 0.14 0.46 0.66 0.20 -0.92 0.00 0.00 175.35 175.88 1wnr s GLY 37 N -1.97 -0.59 -0.20 -3.33 0.00 -0.89 -1.55 107.32 98.79 1wnr s GLY 37 Ca 0.14 0.80 -0.12 0.00 0.00 0.00 0.00 44.72 45.54 1wnr s GLY 37 CO 0.06 0.41 0.24 1.25 0.00 0.00 0.00 173.10 175.06 1wnr s LYS 38 N -2.94 4.17 -0.10 2.90 2.20 -0.24 -1.05 119.74 124.68 1wnr s LYS 38 Ca -0.02 -0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1wnr s LYS 38 Cb -0.01 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1wnr s LYS 38 CO -0.06 0.14 1.31 0.08 -0.36 0.00 0.00 175.35 176.46 1wnr s VAL 39 N 0.79 4.12 -0.01 4.02 1.01 -0.46 -1.17 120.40 128.71 1wnr s VAL 39 Ca 0.12 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1wnr s VAL 39 Cb -0.13 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1wnr s VAL 39 CO 0.03 -0.08 0.09 2.30 0.00 0.00 0.00 175.10 177.45 1wnr n ILE 40 N 5.11 0.01 -3.85 2.22 -5.35 0.36 -0.64 119.36 117.23 1wnr n ILE 40 Ca 0.13 -0.10 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 1wnr n ILE 40 Cb 0.45 0.36 -0.14 0.00 -1.74 0.00 0.00 39.64 38.57 1wnr n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wnr s ALA 41 N -2.30 -0.03 0.02 -1.28 0.00 -1.00 -4.90 121.76 112.26 1wnr s ALA 41 Ca -0.02 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1wnr s ALA 41 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1wnr s ALA 41 CO 0.18 -0.03 -0.21 0.14 0.00 0.00 0.00 175.76 175.84 1wnr s VAL 42 N 0.18 1.69 0.92 0.00 -7.23 -1.26 -0.87 120.40 113.83 1wnr s VAL 42 Ca -0.01 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.94 1wnr s VAL 42 Cb -0.02 -1.44 0.19 0.00 0.56 0.00 0.00 36.38 35.67 1wnr s VAL 42 CO -0.01 0.32 1.27 -0.83 -0.31 0.00 0.00 175.10 175.54 1wnr s GLY 43 N -0.90 1.79 0.01 2.32 0.00 0.16 -4.68 107.32 106.03 1wnr s GLY 43 Ca 0.08 -1.36 0.27 0.00 0.00 0.00 0.00 44.72 43.71 1wnr s GLY 43 CO 0.01 -0.61 1.87 -1.30 0.00 0.00 0.00 173.10 173.07 1wnr n THR 44 N -3.60 0.14 0.00 0.90 -2.24 -0.98 -4.64 114.28 103.86 1wnr n THR 44 Ca 0.16 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1wnr n THR 44 Cb 0.60 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1wnr n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wnr n GLY 45 N 1.32 0.20 3.75 3.38 0.00 0.81 -4.55 105.19 110.09 1wnr n GLY 45 Ca 0.07 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1wnr n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wnr s ARG 46 N -1.28 4.79 -0.22 1.61 3.52 -1.01 -3.58 118.95 122.78 1wnr s ARG 46 Ca 0.00 1.58 -0.09 0.00 -0.13 0.00 0.00 55.73 57.09 1wnr s ARG 46 Cb 0.00 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1wnr s ARG 46 CO 0.00 0.42 0.11 0.08 -0.81 0.00 0.00 175.30 175.10 1wnr s VAL 47 N -1.19 4.97 0.47 7.11 1.01 -1.26 -0.58 120.40 130.93 1wnr s VAL 47 Ca 0.42 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 1wnr s VAL 47 Cb -0.28 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1wnr s VAL 47 CO 0.34 0.39 0.82 -0.76 0.00 0.00 0.00 175.10 175.90 1wnr s LEU 48 N 0.86 3.67 0.54 3.92 1.43 0.26 -4.95 118.68 124.40 1wnr s LEU 48 Ca 0.05 1.12 0.32 0.00 -1.03 0.00 0.00 54.13 54.60 1wnr s LEU 48 Cb -0.13 -4.06 1.74 0.00 0.03 0.00 0.00 46.19 43.77 1wnr s LEU 48 CO 0.03 -0.54 1.97 -0.33 0.23 0.00 0.00 176.35 177.71 1wnr h GLU 49 N 0.66 0.00 -0.67 1.70 4.39 -1.99 0.29 114.58 118.96 1wnr h GLU 49 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1wnr h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1wnr h GLU 49 CO 0.63 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.75 1wnr n ASN 50 N -2.71 3.95 0.00 1.42 6.94 -1.26 -4.90 115.26 118.70 1wnr n ASN 50 Ca -0.02 -2.51 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 1wnr n ASN 50 Cb 0.16 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 1wnr n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wnr n GLY 51 N 0.62 2.91 3.77 4.83 0.00 0.10 -5.01 105.19 112.40 1wnr n GLY 51 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1wnr n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wnr s GLN 52 N -0.08 3.85 -0.38 1.61 -0.21 -1.25 -4.69 119.66 118.51 1wnr s GLN 52 Ca 0.00 1.87 -0.04 0.00 0.02 0.00 0.00 55.36 57.20 1wnr s GLN 52 Cb 0.00 -2.53 0.08 0.00 1.00 0.00 0.00 33.01 31.56 1wnr s GLN 52 CO 0.00 -0.50 0.15 0.50 -2.12 0.00 0.00 175.29 173.32 1wnr s ARG 53 N -2.52 2.31 -0.31 2.91 3.52 -1.26 0.89 118.95 124.48 1wnr s ARG 53 Ca 0.61 -1.53 -0.29 0.00 -0.13 0.00 0.00 55.73 54.39 1wnr s ARG 53 Cb -0.31 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1wnr s ARG 53 CO 0.38 -0.89 1.24 0.08 -0.81 0.00 0.00 175.30 175.30 1wnr s VAL 54 N 1.26 4.23 0.78 7.11 1.01 0.25 -4.92 120.40 130.13 1wnr s VAL 54 Ca 0.03 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 1wnr s VAL 54 Cb -0.22 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.00 1wnr s VAL 54 CO -0.01 -0.50 1.14 -2.84 0.00 0.00 0.00 175.10 172.89 1wnr s PRO 55 N 4.05 1.98 0.41 2.72 0.02 -1.26 -2.40 135.00 140.52 1wnr s PRO 55 Ca 0.53 1.46 -0.25 0.00 0.02 0.00 0.00 61.00 62.76 1wnr s PRO 55 Cb -0.15 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1wnr s PRO 55 CO 0.22 -1.90 1.19 -0.51 -0.33 0.00 0.00 177.00 175.67 1wnr s LEU 56 N -5.74 4.17 0.36 -5.54 1.43 -1.26 -4.90 118.68 107.20 1wnr s LEU 56 Ca 0.67 2.39 0.19 0.00 -1.03 0.00 0.00 54.13 56.35 1wnr s LEU 56 Cb -0.22 -4.03 0.55 0.00 0.03 0.00 0.00 46.19 42.52 1wnr s LEU 56 CO 0.51 -0.74 1.67 -0.08 0.23 0.00 0.00 176.35 177.94 1wnr h GLU 57 N 2.56 0.00 -6.52 1.70 4.81 -1.99 -3.45 114.58 111.69 1wnr h GLU 57 Ca -0.49 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.26 1wnr h GLU 57 Cb 1.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.63 1wnr h GLU 57 CO 0.62 0.38 -0.18 0.14 -0.73 0.00 0.00 179.01 179.24 1wnr s VAL 58 N -3.43 5.10 0.26 0.32 -7.23 -1.26 -5.11 120.40 109.05 1wnr s VAL 58 Ca 0.01 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1wnr s VAL 58 Cb 0.10 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 1wnr s VAL 58 CO 0.69 -0.53 0.05 -1.59 -0.31 0.00 0.00 175.10 173.41 1wnr s LYS 59 N -4.23 1.43 0.26 4.82 -2.85 -1.26 -5.03 119.74 112.89 1wnr s LYS 59 Ca 0.40 -1.76 -0.31 0.00 -1.00 0.00 0.00 55.97 53.31 1wnr s LYS 59 Cb -0.10 -0.53 -0.12 0.00 -2.06 0.00 0.00 37.83 35.02 1wnr s LYS 59 CO 0.36 -0.19 1.58 0.39 0.10 0.00 0.00 175.35 177.58 1wnr n GLU 60 N -0.49 2.55 0.00 1.78 1.02 -1.26 -2.42 120.64 121.81 1wnr n GLU 60 Ca -0.03 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1wnr n GLU 60 Cb 0.65 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1wnr n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wnr n GLY 61 N 2.51 2.66 3.68 0.62 0.00 0.19 -4.99 105.19 109.86 1wnr n GLY 61 Ca 0.11 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 1wnr n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wnr n ASP 62 N 0.35 3.50 -4.64 1.61 10.43 -1.02 -4.59 116.55 122.20 1wnr n ASP 62 Ca 0.00 1.04 -0.41 0.00 2.57 0.00 0.00 54.79 57.99 1wnr n ASP 62 Cb 0.00 -1.47 -0.06 0.00 1.84 0.00 0.00 41.12 41.44 1wnr n ASP 62 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1wnr s ILE 63 N 1.88 4.93 0.26 0.53 1.09 -1.26 -1.35 121.20 127.28 1wnr s ILE 63 Ca 0.81 1.30 0.08 0.00 -1.10 0.00 0.00 60.65 61.74 1wnr s ILE 63 Cb -0.61 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 36.75 1wnr s ILE 63 CO 0.39 0.00 0.13 0.68 -0.10 0.00 0.00 174.94 176.04 1wnr s VAL 64 N 2.55 4.12 -0.13 2.92 -7.23 -0.22 0.07 120.40 122.48 1wnr s VAL 64 Ca 0.30 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1wnr s VAL 64 Cb -0.15 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.55 1wnr s VAL 64 CO 0.08 -0.36 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.67 1wnr s VAL 65 N -2.20 2.81 0.08 1.32 1.01 0.14 -2.10 120.40 121.47 1wnr s VAL 65 Ca 0.32 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1wnr s VAL 65 Cb -0.07 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1wnr s VAL 65 CO 0.23 0.53 -0.08 0.72 0.00 0.00 0.00 175.10 176.50 1wnr s PHE 66 N 0.45 0.87 0.60 5.22 -0.12 -0.45 -0.73 117.98 123.82 1wnr s PHE 66 Ca -0.11 -0.73 -0.19 0.00 -0.05 0.00 0.00 56.93 55.85 1wnr s PHE 66 Cb -0.16 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 1wnr s PHE 66 CO 0.05 -0.09 1.07 0.00 -0.05 0.00 0.00 175.22 176.19 1wnr n ALA 67 N 0.53 0.50 -1.99 1.99 0.00 -1.25 -0.86 120.51 119.42 1wnr n ALA 67 Ca -0.16 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1wnr n ALA 67 Cb 0.58 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 1wnr n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wnr s LYS 68 N -2.86 4.45 0.00 0.00 2.20 -1.26 -2.39 119.74 119.88 1wnr s LYS 68 Ca 0.76 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 1wnr s LYS 68 Cb -0.41 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1wnr s LYS 68 CO 0.46 -0.15 0.00 0.66 -0.36 0.00 0.00 175.35 175.97 1wnr n TYR 69 N 2.35 0.00 -2.19 4.03 0.53 -1.26 -5.01 117.16 115.61 1wnr n TYR 69 Ca 0.04 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.65 1wnr n TYR 69 Cb 0.44 0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.79 1wnr n TYR 69 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1wnr s GLY 70 N -1.98 1.62 0.15 2.72 0.00 -1.01 -4.95 107.32 103.87 1wnr s GLY 70 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1wnr s GLY 70 CO 0.00 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1wnr n GLY 71 N -2.80 -2.08 3.31 0.20 0.00 -1.26 -4.90 105.19 97.66 1wnr n GLY 71 Ca 0.06 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 1wnr n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wnr s THR 72 N -2.27 2.93 -0.09 2.61 2.01 0.09 -4.90 115.64 116.02 1wnr s THR 72 Ca 0.00 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 1wnr s THR 72 Cb 0.00 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1wnr s THR 72 CO 0.00 0.50 1.11 -1.61 -0.69 0.00 0.00 174.62 173.93 1wnr s GLU 73 N 0.81 4.38 -0.07 4.92 0.41 -1.26 -0.61 118.70 127.28 1wnr s GLU 73 Ca -0.04 1.53 0.02 0.00 -0.41 0.00 0.00 54.97 56.07 1wnr s GLU 73 Cb -0.15 -3.56 0.01 0.00 -1.78 0.00 0.00 34.13 28.65 1wnr s GLU 73 CO 0.01 -0.40 -0.12 -1.50 -0.49 0.00 0.00 175.26 172.76 1wnr s ILE 74 N 2.18 1.14 -0.07 -1.63 1.10 -0.43 -4.99 121.20 118.51 1wnr s ILE 74 Ca 0.52 -0.48 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 1wnr s ILE 74 Cb -0.21 -1.05 -0.03 0.00 0.15 0.00 0.00 42.46 41.32 1wnr s ILE 74 CO 0.19 0.36 -0.03 -0.70 -2.11 0.00 0.00 174.94 172.65 1wnr s GLU 75 N 0.71 2.87 -0.20 3.50 2.12 -1.26 -1.01 118.70 125.43 1wnr s GLU 75 Ca -0.14 -0.48 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 1wnr s GLU 75 Cb -0.16 -2.70 0.09 0.00 0.26 0.00 0.00 34.13 31.62 1wnr s GLU 75 CO 0.03 0.68 0.42 0.42 -0.54 0.00 0.00 175.26 176.28 1wnr s ILE 76 N -0.87 -0.64 -1.43 -3.70 1.01 -0.48 -4.90 121.20 110.19 1wnr s ILE 76 Ca 0.13 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 1wnr s ILE 76 Cb -0.11 -0.67 0.05 0.00 0.01 0.00 0.00 42.46 41.73 1wnr s ILE 76 CO 0.02 0.07 0.94 0.47 0.00 0.00 0.00 174.94 176.44 1wnr n ASP 77 N 5.37 -3.95 0.00 3.58 8.00 -1.26 -1.57 116.55 126.72 1wnr n ASP 77 Ca -0.09 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1wnr n ASP 77 Cb 0.50 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1wnr n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wnr n GLY 78 N -1.69 2.59 3.76 0.44 0.00 -1.26 -4.96 105.19 104.07 1wnr n GLY 78 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1wnr n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wnr s GLU 79 N 0.00 4.74 0.07 1.61 0.41 -0.61 -5.06 118.70 119.86 1wnr s GLU 79 Ca 0.00 1.36 0.03 0.00 -0.41 0.00 0.00 54.97 55.96 1wnr s GLU 79 Cb 0.00 -3.23 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 1wnr s GLU 79 CO 0.00 0.52 0.03 -1.21 -0.49 0.00 0.00 175.26 174.10 1wnr s GLU 80 N -1.24 2.71 0.24 1.61 2.02 -1.26 -1.38 118.70 121.40 1wnr s GLU 80 Ca 0.40 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 1wnr s GLU 80 Cb -0.24 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1wnr s GLU 80 CO 0.29 0.57 0.25 0.71 0.02 0.00 0.00 175.26 177.11 1wnr s TYR 81 N -1.28 1.10 -0.03 1.61 1.51 -0.18 -4.66 117.35 115.42 1wnr s TYR 81 Ca 0.25 -1.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.03 1wnr s TYR 81 Cb -0.12 -0.40 0.01 0.00 -0.11 0.00 0.00 41.96 41.35 1wnr s TYR 81 CO 0.18 -0.79 -0.04 0.08 -1.11 0.00 0.00 175.55 173.86 1wnr s VAL 82 N -3.91 0.45 -0.20 0.71 1.01 -0.59 -1.31 120.40 116.57 1wnr s VAL 82 Ca 0.35 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1wnr s VAL 82 Cb 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1wnr s VAL 82 CO 0.15 0.17 0.07 -0.63 0.00 0.00 0.00 175.10 174.86 1wnr s ILE 83 N 0.50 4.75 0.04 2.22 1.01 0.22 -0.87 121.20 129.07 1wnr s ILE 83 Ca -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1wnr s ILE 83 Cb -0.10 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1wnr s ILE 83 CO -0.00 0.43 -0.14 -0.76 0.00 0.00 0.00 174.94 174.47 1wnr s LEU 84 N 0.61 2.19 0.22 2.97 1.43 -0.49 -0.73 118.68 124.88 1wnr s LEU 84 Ca 0.04 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1wnr s LEU 84 Cb -0.13 -0.56 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 1wnr s LEU 84 CO 0.01 0.00 0.48 -0.94 0.23 0.00 0.00 176.35 176.13 1wnr s SER 85 N -1.23 6.50 0.39 2.29 1.04 -1.26 -0.60 113.70 120.83 1wnr s SER 85 Ca 0.00 0.70 0.16 0.00 0.48 0.00 0.00 55.95 57.29 1wnr s SER 85 Cb -0.08 -2.13 1.04 0.00 0.10 0.00 0.00 66.02 64.94 1wnr s SER 85 CO 0.01 -0.06 1.79 -0.08 0.98 0.00 0.00 173.24 175.88 1wnr h GLU 86 N 2.33 0.45 0.00 4.02 4.81 -1.26 0.50 114.58 125.43 1wnr h GLU 86 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1wnr h GLU 86 Cb 1.18 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1wnr h GLU 86 CO 0.69 0.30 0.00 2.89 -0.73 0.00 0.00 179.01 182.16 1wnr n ARG 87 N -4.63 0.03 0.00 1.92 1.85 -1.26 -1.56 116.66 113.01 1wnr n ARG 87 Ca 0.24 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.51 1wnr n ARG 87 Cb 0.79 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.72 1wnr n ARG 87 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1wnr n ASP 88 N -1.45 0.84 -4.54 2.89 9.92 0.17 -4.80 116.55 119.59 1wnr n ASP 88 Ca 0.03 -0.74 -0.43 0.00 -0.53 0.00 0.00 54.79 53.12 1wnr n ASP 88 Cb 0.09 0.70 -0.04 0.00 -0.64 0.00 0.00 41.12 41.23 1wnr n ASP 88 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wnr s LEU 89 N -2.98 4.08 0.00 0.64 1.43 -0.60 -3.97 118.68 117.29 1wnr s LEU 89 Ca 0.10 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 1wnr s LEU 89 Cb 0.17 -2.98 -0.21 0.00 0.03 0.00 0.00 46.19 43.20 1wnr s LEU 89 CO 0.80 -1.13 1.14 -0.07 0.23 0.00 0.00 176.35 177.32 1wnr h LEU 90 N 10.73 0.45 -7.52 1.79 4.07 -1.24 -3.49 115.31 120.10 1wnr h LEU 90 Ca -0.25 -0.70 0.16 0.00 0.08 0.00 0.00 57.88 57.17 1wnr h LEU 90 Cb 1.08 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 42.59 1wnr h LEU 90 CO 1.05 1.09 0.49 0.00 -1.08 0.00 0.00 178.44 179.99 1wnr s ALA 91 N -3.42 -1.69 -0.14 1.53 0.00 -1.18 -4.98 121.76 111.87 1wnr s ALA 91 Ca -0.14 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 1wnr s ALA 91 Cb 0.03 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1wnr s ALA 91 CO 0.79 -0.97 -0.02 0.08 0.00 0.00 0.00 175.76 175.64 1wnr s VAL 92 N -3.25 4.06 -0.30 0.00 1.01 -1.26 0.28 120.40 120.95 1wnr s VAL 92 Ca 0.11 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1wnr s VAL 92 Cb -0.01 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1wnr s VAL 92 CO -0.00 0.51 0.44 -0.76 0.00 0.00 0.00 175.10 175.29 1wnr s LEU 93 N 0.10 4.17 0.00 3.92 1.43 0.11 -4.98 118.68 123.44 1wnr s LEU 93 Ca 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1wnr s LEU 93 Cb -0.13 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1wnr s LEU 93 CO 0.02 -0.31 0.00 0.00 0.23 0.00 0.00 176.35 176.30