#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 4.10 -0.37 1.12 1.01 -1.26 -5.07 121.20 120.73 1wnr s ILE 2 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 1wnr s ILE 2 Cb 0.00 -2.85 0.08 0.00 0.01 0.00 0.00 42.46 39.70 1wnr s ILE 2 CO 0.00 0.44 0.14 -0.75 0.00 0.00 0.00 174.94 174.77 1wnr s LYS 3 N 0.84 2.26 0.56 2.79 2.20 -1.26 -4.88 119.74 122.25 1wnr s LYS 3 Ca 0.01 -1.54 -0.19 0.00 -0.36 0.00 0.00 55.97 53.89 1wnr s LYS 3 Cb -0.14 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1wnr s LYS 3 CO 0.02 -0.88 1.14 -2.14 -0.36 0.00 0.00 175.35 173.13 1wnr s PRO 4 N 1.23 3.25 -0.08 4.03 0.02 -1.26 -5.00 135.00 137.19 1wnr s PRO 4 Ca 0.03 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 62.63 1wnr s PRO 4 Cb -0.22 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1wnr s PRO 4 CO -0.02 -0.94 0.13 -0.51 -0.33 0.00 0.00 177.00 175.33 1wnr s LEU 5 N -3.92 4.25 0.00 -5.54 1.43 -1.26 -4.26 118.68 109.38 1wnr s LEU 5 Ca 0.73 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1wnr s LEU 5 Cb -0.25 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1wnr s LEU 5 CO 0.29 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.84 1wnr n GLY 6 N 1.68 3.13 2.31 -3.19 0.00 -1.26 -3.27 105.19 104.59 1wnr n GLY 6 Ca -0.17 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 5.65 6.33 -4.48 1.61 2.03 -1.20 0.11 116.55 126.60 1wnr n ASP 7 Ca 0.00 -3.09 -0.23 0.00 0.52 0.00 0.00 54.79 51.99 1wnr n ASP 7 Cb 0.00 -1.22 -0.11 0.00 -0.72 0.00 0.00 41.12 39.08 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 -1.43 1.69 0.05 -0.67 0.52 -1.20 -1.15 118.95 116.76 1wnr s ARG 8 Ca 0.54 -1.92 -0.08 0.00 -0.52 0.00 0.00 55.73 53.75 1wnr s ARG 8 Cb 0.35 -1.08 -0.00 0.00 0.52 0.00 0.00 34.95 34.73 1wnr s ARG 8 CO -0.15 -0.11 0.15 0.14 0.02 0.00 0.00 175.30 175.35 1wnr s VAL 9 N -3.12 0.13 -0.16 3.52 -7.23 0.62 0.11 120.40 114.27 1wnr s VAL 9 Ca 0.35 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1wnr s VAL 9 Cb 0.08 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1wnr s VAL 9 CO 0.15 -0.60 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.56 1wnr s VAL 10 N -2.99 3.21 0.03 1.32 1.01 0.19 -1.02 120.40 122.15 1wnr s VAL 10 Ca -0.02 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1wnr s VAL 10 Cb 0.01 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1wnr s VAL 10 CO -0.06 0.49 -0.13 0.68 0.00 0.00 0.00 175.10 176.08 1wnr s VAL 11 N 0.68 1.01 -0.26 2.92 -7.23 -0.54 -0.57 120.40 116.41 1wnr s VAL 11 Ca -0.05 -0.94 -0.18 0.00 -1.81 0.00 0.00 61.98 59.00 1wnr s VAL 11 Cb -0.15 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1wnr s VAL 11 CO 0.02 -0.01 0.53 -0.75 -0.31 0.00 0.00 175.10 174.58 1wnr s LYS 12 N -1.08 4.07 1.06 4.82 2.47 -0.27 -0.90 119.74 129.92 1wnr s LYS 12 Ca 0.01 0.35 -0.12 0.00 -1.56 0.00 0.00 55.97 54.65 1wnr s LYS 12 Cb -0.08 -3.65 0.23 0.00 -1.46 0.00 0.00 37.83 32.87 1wnr s LYS 12 CO 0.01 -0.36 1.07 0.50 0.16 0.00 0.00 175.35 176.74 1wnr s ARG 13 N 2.32 -0.12 0.03 4.03 3.52 -1.26 -0.01 118.95 127.46 1wnr s ARG 13 Ca 0.22 1.07 -0.00 0.00 -0.13 0.00 0.00 55.73 56.89 1wnr s ARG 13 Cb -0.16 -1.63 -0.00 0.00 -1.56 0.00 0.00 34.95 31.60 1wnr s ARG 13 CO 0.09 -3.25 -0.00 -0.89 -0.81 0.00 0.00 175.30 170.44 1wnr n ILE 14 N -4.62 0.38 0.00 4.11 5.41 -0.32 -4.71 119.36 119.61 1wnr n ILE 14 Ca 0.06 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1wnr n ILE 14 Cb 0.54 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 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 -3.15 0.00 -4.26 0.38 -0.02 -1.26 -4.87 135.00 121.82 1wnr n PRO 34 Ca -0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 1wnr n PRO 34 Cb 0.35 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.71 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 1.05 -0.06 -0.52 -1.52 0.55 -4.82 119.66 114.33 1wnr s GLN 35 Ca 0.00 -1.14 0.04 0.00 -1.95 0.00 0.00 55.36 52.31 1wnr s GLN 35 Cb 0.00 -1.21 -0.02 0.00 -0.22 0.00 0.00 33.01 31.56 1wnr s GLN 35 CO 0.00 0.27 -0.18 0.15 -0.25 0.00 0.00 175.29 175.28 1wnr s LYS 36 N -1.99 2.64 0.09 2.91 1.02 -1.26 0.38 119.74 123.53 1wnr s LYS 36 Ca 0.05 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.13 1wnr s LYS 36 Cb -0.09 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1wnr s LYS 36 CO 0.04 0.48 0.33 0.20 -0.92 0.00 0.00 175.35 175.48 1wnr s GLY 37 N -0.37 -0.16 -0.23 -3.33 0.00 -0.69 -1.17 107.32 101.38 1wnr s GLY 37 Ca 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.54 1wnr s GLY 37 CO 0.02 -0.35 0.15 1.25 0.00 0.00 0.00 173.10 174.17 1wnr s LYS 38 N -3.36 4.10 -0.35 2.90 2.20 0.98 -1.39 119.74 124.82 1wnr s LYS 38 Ca 0.01 -0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 1wnr s LYS 38 Cb 0.02 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1wnr s LYS 38 CO -0.09 0.14 1.65 0.08 -0.36 0.00 0.00 175.35 176.77 1wnr s VAL 39 N 0.83 3.65 -0.39 4.02 1.01 0.56 -1.11 120.40 128.97 1wnr s VAL 39 Ca 0.07 0.66 0.19 0.00 0.00 0.00 0.00 61.98 62.90 1wnr s VAL 39 Cb -0.13 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.15 1wnr s VAL 39 CO 0.02 -0.53 0.57 2.30 0.00 0.00 0.00 175.10 177.46 1wnr n ILE 40 N 7.25 0.00 -3.68 2.22 -5.35 0.26 0.62 119.36 120.68 1wnr n ILE 40 Ca 0.20 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1wnr n ILE 40 Cb 0.47 0.48 -0.08 0.00 -1.74 0.00 0.00 39.64 38.77 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 -3.05 -1.43 -0.01 -1.28 0.00 -1.01 -4.91 121.76 110.07 1wnr s ALA 41 Ca -0.01 1.63 0.05 0.00 0.00 0.00 0.00 51.96 53.63 1wnr s ALA 41 Cb 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1wnr s ALA 41 CO 0.77 -0.27 -0.16 0.14 0.00 0.00 0.00 175.76 176.24 1wnr s VAL 42 N 0.33 1.24 0.00 0.00 -7.23 -1.26 0.55 120.40 114.03 1wnr s VAL 42 Ca -0.00 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1wnr s VAL 42 Cb -0.04 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.87 1wnr s VAL 42 CO 0.00 0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1wnr n GLY 43 N 2.72 -1.82 0.20 2.32 0.00 0.29 -4.66 105.19 104.23 1wnr n GLY 43 Ca -0.15 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.46 1wnr n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wnr n THR 44 N -2.12 0.00 0.00 2.61 -2.24 -0.69 -4.69 114.28 107.15 1wnr n THR 44 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1wnr n THR 44 Cb 0.00 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.41 3.79 3.38 0.00 0.30 -4.50 105.19 109.08 1wnr n GLY 45 Ca 0.13 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.35 3.93 -0.14 1.61 3.52 -1.00 -3.27 118.95 122.24 1wnr s ARG 46 Ca 0.00 1.45 -0.05 0.00 -0.13 0.00 0.00 55.73 57.00 1wnr s ARG 46 Cb 0.00 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1wnr s ARG 46 CO 0.00 -0.34 0.04 0.08 -0.81 0.00 0.00 175.30 174.27 1wnr s VAL 47 N -1.83 4.60 0.51 7.11 1.01 -1.26 0.14 120.40 130.68 1wnr s VAL 47 Ca 0.64 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1wnr s VAL 47 Cb -0.19 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1wnr s VAL 47 CO 0.24 0.53 0.71 -0.76 0.00 0.00 0.00 175.10 175.81 1wnr s LEU 48 N -0.16 3.40 0.54 3.92 1.43 0.11 -4.97 118.68 122.95 1wnr s LEU 48 Ca 0.06 -0.15 0.36 0.00 -1.03 0.00 0.00 54.13 53.37 1wnr s LEU 48 Cb -0.12 -2.80 1.71 0.00 0.03 0.00 0.00 46.19 45.01 1wnr s LEU 48 CO 0.02 -1.02 2.07 -0.33 0.23 0.00 0.00 176.35 177.32 1wnr h GLU 49 N 0.26 0.00 -0.16 1.70 4.39 -2.00 -0.70 114.58 118.07 1wnr h GLU 49 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1wnr h GLU 49 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1wnr h GLU 49 CO 0.50 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.62 1wnr n ASN 50 N -2.91 1.64 0.00 1.42 6.94 -1.26 -4.90 115.26 116.19 1wnr n ASN 50 Ca -0.01 -1.70 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1wnr n ASN 50 Cb 0.18 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 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 1.12 3.11 3.68 4.83 0.00 -0.27 -5.04 105.19 112.63 1wnr n GLY 51 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1wnr n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wnr n GLN 52 N -1.01 0.84 -3.91 1.61 6.02 -1.26 -4.56 117.38 115.10 1wnr n GLN 52 Ca 0.00 0.34 -0.35 0.00 -0.01 0.00 0.00 57.00 56.99 1wnr n GLN 52 Cb 0.00 -2.39 -0.14 0.00 1.02 0.00 0.00 30.24 28.74 1wnr n GLN 52 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1wnr s ARG 53 N -3.33 2.37 -0.09 -1.09 3.52 -1.26 0.04 118.95 119.11 1wnr s ARG 53 Ca 0.79 -1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 1wnr s ARG 53 Cb -0.37 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1wnr s ARG 53 CO 0.45 -0.65 1.24 0.08 -0.81 0.00 0.00 175.30 175.61 1wnr s VAL 54 N 1.23 4.23 0.43 7.11 1.01 0.12 -4.92 120.40 129.61 1wnr s VAL 54 Ca -0.04 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.24 1wnr s VAL 54 Cb -0.20 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1wnr s VAL 54 CO -0.02 -0.05 1.10 -2.84 0.00 0.00 0.00 175.10 173.29 1wnr s PRO 55 N 2.74 3.94 0.64 2.72 0.02 -1.26 -2.37 135.00 141.43 1wnr s PRO 55 Ca 0.56 1.62 -0.18 0.00 0.02 0.00 0.00 61.00 63.02 1wnr s PRO 55 Cb -0.24 -2.44 -0.01 0.00 0.02 0.00 0.00 34.50 31.83 1wnr s PRO 55 CO 0.19 -0.36 1.30 -0.51 -0.33 0.00 0.00 177.00 177.29 1wnr s LEU 56 N -2.90 3.59 -0.07 -5.54 1.43 -1.26 -4.91 118.68 109.02 1wnr s LEU 56 Ca 0.61 2.63 0.12 0.00 -1.03 0.00 0.00 54.13 56.46 1wnr s LEU 56 Cb -0.24 -4.60 0.47 0.00 0.03 0.00 0.00 46.19 41.84 1wnr s LEU 56 CO 0.30 -1.98 1.33 1.21 0.23 0.00 0.00 176.35 177.44 1wnr n GLU 57 N -1.86 2.78 -4.12 1.70 2.13 -1.26 -4.87 120.64 115.14 1wnr n GLU 57 Ca 0.16 -1.86 -0.15 0.00 0.66 0.00 0.00 57.16 55.97 1wnr n GLU 57 Cb 0.48 -1.67 -0.12 0.00 0.27 0.00 0.00 31.44 30.40 1wnr n GLU 57 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wnr s VAL 58 N -1.73 0.60 0.41 6.31 -7.23 -1.26 -5.08 120.40 112.42 1wnr s VAL 58 Ca 0.33 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.69 1wnr s VAL 58 Cb 0.21 -0.62 -0.07 0.00 0.56 0.00 0.00 36.38 36.47 1wnr s VAL 58 CO 0.16 -0.22 0.08 -1.59 -0.31 0.00 0.00 175.10 173.22 1wnr s LYS 59 N -1.21 2.07 0.48 4.82 -2.85 -1.26 -4.95 119.74 116.85 1wnr s LYS 59 Ca -0.06 -1.98 -0.24 0.00 -1.00 0.00 0.00 55.97 52.69 1wnr s LYS 59 Cb -0.08 -1.79 -0.07 0.00 -2.06 0.00 0.00 37.83 33.83 1wnr s LYS 59 CO 0.00 -0.07 1.38 -1.21 0.10 0.00 0.00 175.35 175.56 1wnr s GLU 60 N -3.79 3.50 0.00 1.78 2.02 -1.26 -2.64 118.70 118.30 1wnr s GLU 60 Ca 0.37 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.66 1wnr s GLU 60 Cb 0.07 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1wnr s GLU 60 CO 0.20 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1wnr n GLY 61 N 0.64 2.97 3.25 -1.39 0.00 0.20 -4.99 105.19 105.88 1wnr n GLY 61 Ca 0.07 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 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 1.76 -1.45 -4.53 1.61 9.92 -1.08 -4.26 116.55 118.52 1wnr n ASP 62 Ca 0.00 1.04 -0.38 0.00 -0.53 0.00 0.00 54.79 54.92 1wnr n ASP 62 Cb 0.00 -0.90 -0.11 0.00 -0.64 0.00 0.00 41.12 39.46 1wnr n ASP 62 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wnr s ILE 63 N -1.06 4.99 0.24 0.53 -1.09 -1.26 -0.32 121.20 123.23 1wnr s ILE 63 Ca 0.61 -0.06 0.08 0.00 -2.23 0.00 0.00 60.65 59.05 1wnr s ILE 63 Cb -0.85 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1wnr s ILE 63 CO 0.55 0.20 0.08 0.68 -1.23 0.00 0.00 174.94 175.22 1wnr s VAL 64 N 1.70 3.94 -0.15 2.92 -7.23 -0.49 -0.06 120.40 121.03 1wnr s VAL 64 Ca 0.06 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1wnr s VAL 64 Cb -0.16 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 1wnr s VAL 64 CO 0.09 -0.31 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.78 1wnr s VAL 65 N -2.13 3.27 0.23 1.32 1.01 -0.41 -1.70 120.40 121.99 1wnr s VAL 65 Ca 0.31 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1wnr s VAL 65 Cb -0.08 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1wnr s VAL 65 CO 0.22 0.50 0.03 0.72 0.00 0.00 0.00 175.10 176.57 1wnr s PHE 66 N 0.53 1.48 0.29 5.22 -0.12 0.16 -1.22 117.98 124.32 1wnr s PHE 66 Ca -0.07 -1.02 -0.30 0.00 -0.05 0.00 0.00 56.93 55.49 1wnr s PHE 66 Cb -0.15 -0.86 -0.11 0.00 -0.63 0.00 0.00 43.02 41.26 1wnr s PHE 66 CO 0.03 -0.17 1.58 0.00 -0.05 0.00 0.00 175.22 176.61 1wnr s ALA 67 N -3.57 3.73 0.59 1.99 0.00 -1.20 -0.33 121.76 122.97 1wnr s ALA 67 Ca 0.30 1.55 -0.20 0.00 0.00 0.00 0.00 51.96 53.62 1wnr s ALA 67 Cb 0.07 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1wnr s ALA 67 CO 0.09 -0.97 1.32 0.21 0.00 0.00 0.00 175.76 176.41 1wnr s LYS 68 N -0.59 2.86 0.00 0.00 2.20 -1.26 -1.47 119.74 121.48 1wnr s LYS 68 Ca 0.62 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1wnr s LYS 68 Cb -0.47 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1wnr s LYS 68 CO 0.48 -1.38 0.00 0.66 -0.36 0.00 0.00 175.35 174.76 1wnr n TYR 69 N -1.46 0.00 -3.04 4.03 0.53 -1.26 -4.94 117.16 111.02 1wnr n TYR 69 Ca 0.13 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.74 1wnr n TYR 69 Cb 0.47 -1.78 -0.02 0.00 -1.03 0.00 0.00 39.34 36.98 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 -2.00 1.65 0.08 2.72 0.00 -0.54 -4.98 107.32 104.25 1wnr s GLY 70 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1wnr s GLY 70 CO 0.00 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.29 1wnr n GLY 71 N -1.60 -1.52 3.30 0.20 0.00 -1.26 -4.91 105.19 99.39 1wnr n GLY 71 Ca -0.01 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.44 2.78 0.16 2.61 2.01 -0.47 -4.95 115.64 116.34 1wnr s THR 72 Ca 0.00 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1wnr s THR 72 Cb 0.00 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.27 1wnr s THR 72 CO 0.00 0.52 1.15 -1.61 -0.69 0.00 0.00 174.62 173.99 1wnr s GLU 73 N 0.60 4.53 -0.10 4.92 0.41 -1.26 -1.17 118.70 126.63 1wnr s GLU 73 Ca -0.09 1.79 -0.03 0.00 -0.41 0.00 0.00 54.97 56.23 1wnr s GLU 73 Cb -0.16 -3.27 0.05 0.00 -1.78 0.00 0.00 34.13 28.97 1wnr s GLU 73 CO 0.03 -0.04 0.15 -1.50 -0.49 0.00 0.00 175.26 173.41 1wnr s ILE 74 N 0.04 -0.23 -0.14 -1.63 1.10 -0.54 -4.95 121.20 114.84 1wnr s ILE 74 Ca 0.52 0.25 -0.14 0.00 -0.51 0.00 0.00 60.65 60.77 1wnr s ILE 74 Cb -0.31 -0.36 -0.05 0.00 0.15 0.00 0.00 42.46 41.90 1wnr s ILE 74 CO 0.35 0.06 0.32 -0.70 -2.11 0.00 0.00 174.94 172.86 1wnr s GLU 75 N 2.27 4.20 -0.18 3.50 2.12 -1.26 -1.06 118.70 128.28 1wnr s GLU 75 Ca 0.04 0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.49 1wnr s GLU 75 Cb -0.13 -3.40 0.08 0.00 0.26 0.00 0.00 34.13 30.95 1wnr s GLU 75 CO -0.07 0.30 0.19 0.42 -0.54 0.00 0.00 175.26 175.57 1wnr s ILE 76 N 0.27 -0.28 -1.00 -3.70 1.01 0.17 -4.88 121.20 112.79 1wnr s ILE 76 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 1wnr s ILE 76 Cb -0.14 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1wnr s ILE 76 CO 0.06 -0.15 0.83 0.47 0.00 0.00 0.00 174.94 176.15 1wnr n ASP 77 N 5.32 -2.14 0.00 3.58 8.00 -1.26 -2.25 116.55 127.80 1wnr n ASP 77 Ca -0.06 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1wnr n ASP 77 Cb 0.49 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 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 -1.13 1.39 3.73 0.44 0.00 -1.26 -4.92 105.19 103.44 1wnr n GLY 78 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 4.45 -0.15 1.61 0.41 -0.95 -5.05 118.70 119.01 1wnr s GLU 79 Ca 0.00 0.94 -0.07 0.00 -0.41 0.00 0.00 54.97 55.43 1wnr s GLU 79 Cb 0.00 -3.42 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 1wnr s GLU 79 CO 0.00 0.12 0.09 -1.21 -0.49 0.00 0.00 175.26 173.77 1wnr s GLU 80 N 0.57 3.72 0.37 1.61 2.02 -1.26 0.43 118.70 126.15 1wnr s GLU 80 Ca 0.38 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 55.13 1wnr s GLU 80 Cb -0.18 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 1wnr s GLU 80 CO 0.20 0.48 0.14 0.71 0.02 0.00 0.00 175.26 176.80 1wnr s TYR 81 N -0.20 1.76 -0.05 1.61 1.51 -0.23 -4.46 117.35 117.30 1wnr s TYR 81 Ca 0.09 -1.28 -0.01 0.00 -1.01 0.00 0.00 57.07 54.85 1wnr s TYR 81 Cb -0.12 -1.08 0.03 0.00 -0.11 0.00 0.00 41.96 40.68 1wnr s TYR 81 CO 0.01 -0.34 0.02 0.08 -1.11 0.00 0.00 175.55 174.20 1wnr s VAL 82 N -3.33 0.18 -0.06 0.71 1.01 -0.08 -1.47 120.40 117.37 1wnr s VAL 82 Ca 0.29 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1wnr s VAL 82 Cb 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1wnr s VAL 82 CO 0.16 0.20 0.61 -0.63 0.00 0.00 0.00 175.10 175.43 1wnr s ILE 83 N 1.64 5.04 0.10 2.22 1.01 -0.32 -1.47 121.20 129.42 1wnr s ILE 83 Ca -0.01 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1wnr s ILE 83 Cb -0.13 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1wnr s ILE 83 CO -0.03 0.32 -0.08 -0.76 0.00 0.00 0.00 174.94 174.39 1wnr s LEU 84 N 0.44 2.46 0.05 2.97 1.43 -0.19 -1.37 118.68 124.47 1wnr s LEU 84 Ca 0.32 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1wnr s LEU 84 Cb -0.17 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.83 1wnr s LEU 84 CO 0.16 -0.38 0.36 -0.55 0.23 0.00 0.00 176.35 176.17 1wnr s SER 85 N -2.77 6.62 0.30 2.29 0.15 -1.26 -0.27 113.70 118.75 1wnr s SER 85 Ca 0.09 0.75 0.06 0.00 0.70 0.00 0.00 55.95 57.54 1wnr s SER 85 Cb 0.02 -2.16 0.77 0.00 -1.71 0.00 0.00 66.02 62.93 1wnr s SER 85 CO -0.03 0.22 1.74 -0.08 1.20 0.00 0.00 173.24 176.29 1wnr h GLU 86 N 3.93 0.59 0.00 5.44 4.81 -1.47 0.44 114.58 128.32 1wnr h GLU 86 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1wnr h GLU 86 Cb 1.20 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1wnr h GLU 86 CO 0.66 0.39 0.00 2.89 -0.73 0.00 0.00 179.01 182.22 1wnr n ARG 87 N -4.88 0.08 0.00 1.92 1.85 -1.26 -1.03 116.66 113.34 1wnr n ARG 87 Ca 0.24 0.52 0.12 0.00 -1.00 0.00 0.00 57.85 57.73 1wnr n ARG 87 Cb 0.64 -1.73 0.23 0.00 -1.05 0.00 0.00 32.46 30.55 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 -1.89 1.44 -4.57 2.89 9.92 0.15 -4.81 116.55 119.69 1wnr n ASP 88 Ca 0.00 -1.16 -0.42 0.00 -0.53 0.00 0.00 54.79 52.68 1wnr n ASP 88 Cb 0.06 0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.76 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 -2.48 4.16 -0.10 0.64 1.43 -0.20 -3.25 118.68 118.88 1wnr s LEU 89 Ca 0.22 0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 1wnr s LEU 89 Cb 0.19 -3.00 -0.22 0.00 0.03 0.00 0.00 46.19 43.18 1wnr s LEU 89 CO 0.54 -0.79 0.88 -0.07 0.23 0.00 0.00 176.35 177.14 1wnr h LEU 90 N 9.86 -0.02 -8.06 1.79 4.07 -1.46 -3.50 115.31 117.99 1wnr h LEU 90 Ca -0.25 -0.76 0.02 0.00 0.08 0.00 0.00 57.88 56.98 1wnr h LEU 90 Cb 1.09 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1wnr h LEU 90 CO 0.92 0.78 0.16 0.00 -1.08 0.00 0.00 178.44 179.22 1wnr s ALA 91 N -2.92 -0.90 -0.12 1.53 0.00 -1.21 -5.00 121.76 113.14 1wnr s ALA 91 Ca -0.17 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1wnr s ALA 91 Cb -0.01 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1wnr s ALA 91 CO 0.63 -0.99 -0.10 0.08 0.00 0.00 0.00 175.76 175.38 1wnr s VAL 92 N -3.65 3.34 -0.35 0.00 1.01 -1.26 -1.29 120.40 118.21 1wnr s VAL 92 Ca 0.14 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1wnr s VAL 92 Cb -0.05 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1wnr s VAL 92 CO 0.09 0.53 0.39 -0.76 0.00 0.00 0.00 175.10 175.34 1wnr s LEU 93 N 0.16 4.44 0.00 3.92 1.43 0.92 -4.99 118.68 124.56 1wnr s LEU 93 Ca -0.05 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1wnr s LEU 93 Cb -0.15 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1wnr s LEU 93 CO 0.04 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.25