#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn2 s PHE 5 N 0.00 2.69 -0.01 3.17 0.40 -1.26 -5.04 117.98 117.93 1wn2 s PHE 5 Ca 0.00 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1wn2 s PHE 5 Cb 0.00 -3.97 -0.04 0.00 0.51 0.00 0.00 43.02 39.52 1wn2 s PHE 5 CO 0.00 -2.89 0.03 0.15 0.70 0.00 0.00 175.22 173.21 1wn2 s LYS 6 N -1.80 2.90 0.06 0.44 1.02 -1.26 -5.02 119.74 116.08 1wn2 s LYS 6 Ca 0.54 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 56.06 1wn2 s LYS 6 Cb -0.45 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1wn2 s LYS 6 CO 0.59 0.64 -0.21 0.71 -0.92 0.00 0.00 175.35 176.17 1wn2 s TYR 7 N -1.10 2.49 0.19 3.18 2.02 -1.26 -0.24 117.35 122.62 1wn2 s TYR 7 Ca 0.20 -0.30 -0.19 0.00 -0.37 0.00 0.00 57.07 56.40 1wn2 s TYR 7 Cb -0.12 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1wn2 s TYR 7 CO 0.10 0.25 0.56 -1.59 -1.57 0.00 0.00 175.55 173.30 1wn2 s LYS 8 N -1.55 1.37 -0.06 -0.62 -2.85 -0.82 -4.46 119.74 110.74 1wn2 s LYS 8 Ca 0.14 -0.74 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 1wn2 s LYS 8 Cb -0.10 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1wn2 s LYS 8 CO 0.05 -0.59 -0.15 -1.14 0.10 0.00 0.00 175.35 173.62 1wn2 s GLN 9 N -3.83 1.86 -0.13 1.78 0.74 -0.20 -2.42 119.66 117.45 1wn2 s GLN 9 Ca 0.06 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.95 1wn2 s GLN 9 Cb -0.01 -1.54 -0.01 0.00 1.10 0.00 0.00 33.01 32.55 1wn2 s GLN 9 CO -0.06 0.12 -0.18 0.08 -0.55 0.00 0.00 175.29 174.71 1wn2 s VAL 10 N 0.39 2.58 -0.22 1.34 1.01 0.05 -1.74 120.40 123.82 1wn2 s VAL 10 Ca -0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1wn2 s VAL 10 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1wn2 s VAL 10 CO 0.04 0.53 -0.02 -0.63 0.00 0.00 0.00 175.10 175.02 1wn2 s ILE 11 N 0.49 3.64 -0.38 2.22 1.09 -0.25 -0.47 121.20 127.55 1wn2 s ILE 11 Ca -0.12 -0.41 -0.16 0.00 -1.10 0.00 0.00 60.65 58.86 1wn2 s ILE 11 Cb -0.16 -2.66 0.01 0.00 -1.06 0.00 0.00 42.46 38.58 1wn2 s ILE 11 CO 0.05 0.42 0.41 -0.69 -0.10 0.00 0.00 174.94 175.02 1wn2 s VAL 12 N 1.34 5.12 -0.07 2.92 1.01 0.83 -1.13 120.40 130.42 1wn2 s VAL 12 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1wn2 s VAL 12 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1wn2 s VAL 12 CO -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 175.10 174.86 1wn2 s ALA 13 N 2.09 3.41 -0.07 5.51 0.00 0.11 -1.05 121.76 131.77 1wn2 s ALA 13 Ca 0.12 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1wn2 s ALA 13 Cb -0.17 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1wn2 s ALA 13 CO 0.13 0.61 1.06 1.03 0.00 0.00 0.00 175.76 178.59 1wn2 s ARG 14 N -1.07 4.43 0.00 0.00 0.52 -0.74 -1.83 118.95 120.25 1wn2 s ARG 14 Ca 0.15 1.49 0.22 0.00 -0.52 0.00 0.00 55.73 57.07 1wn2 s ARG 14 Cb -0.12 -3.52 0.47 0.00 0.52 0.00 0.00 34.95 32.30 1wn2 s ARG 14 CO 0.05 -0.30 1.41 0.00 0.02 0.00 0.00 175.30 176.48 1wn2 n ALA 15 N 4.81 2.39 0.90 2.13 0.00 -0.35 -4.27 120.51 126.12 1wn2 n ALA 15 Ca 0.09 -1.08 0.11 0.00 0.00 0.00 0.00 53.44 52.55 1wn2 n ALA 15 Cb 0.48 -0.83 0.08 0.00 0.00 0.00 0.00 19.45 19.18 1wn2 n ALA 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wn2 n ASP 16 N 1.44 2.68 -0.23 0.00 5.75 -1.26 -4.41 116.55 120.51 1wn2 n ASP 16 Ca 0.20 -1.84 0.14 0.00 -0.01 0.00 0.00 54.79 53.28 1wn2 n ASP 16 Cb 0.59 0.07 0.59 0.00 -1.03 0.00 0.00 41.12 41.34 1wn2 n ASP 16 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wn2 n LEU 17 N 1.04 0.82 -2.80 -2.12 4.77 -1.26 -4.93 117.00 112.51 1wn2 n LEU 17 Ca 0.12 -0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 1wn2 n LEU 17 Cb 0.53 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1wn2 n LEU 17 CO 0.15 0.14 -0.11 0.29 -1.33 0.00 0.00 177.39 176.54 1wn2 n LYS 18 N -0.56 -3.44 -2.62 3.23 4.76 -1.26 -4.95 118.16 113.31 1wn2 n LYS 18 Ca 0.17 0.86 -0.36 0.00 -2.87 0.00 0.00 58.31 56.11 1wn2 n LYS 18 Cb 0.29 -5.62 -0.05 0.00 -1.84 0.00 0.00 35.03 27.81 1wn2 n LYS 18 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wn2 s LEU 19 N -6.35 4.10 0.65 -0.35 1.43 -1.26 -5.03 118.68 111.87 1wn2 s LEU 19 Ca 0.19 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 55.08 1wn2 s LEU 19 Cb -0.09 -4.26 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 1wn2 s LEU 19 CO 0.23 -0.45 1.08 -0.94 0.23 0.00 0.00 176.35 176.50 1wn2 s SER 20 N -1.72 5.36 0.28 2.29 1.04 -1.26 -4.79 113.70 114.90 1wn2 s SER 20 Ca 0.59 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.88 1wn2 s SER 20 Cb -0.19 -2.53 0.50 0.00 0.10 0.00 0.00 66.02 63.90 1wn2 s SER 20 CO 0.24 -1.46 1.87 0.07 0.98 0.00 0.00 173.24 174.94 1wn2 h LYS 21 N 0.01 1.04 -0.57 4.02 2.10 -1.99 -0.80 116.57 120.38 1wn2 h LYS 21 Ca -0.46 -0.06 -0.07 0.00 -2.00 0.00 0.00 60.65 58.06 1wn2 h LYS 21 Cb 1.23 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 1wn2 h LYS 21 CO 0.55 0.69 0.08 0.78 -2.00 0.00 0.00 179.45 179.55 1wn2 h GLY 22 N 1.07 0.99 1.06 0.07 0.00 -1.99 -0.75 103.07 103.51 1wn2 h GLY 22 Ca 0.45 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 1wn2 h GLY 22 CO -0.20 0.58 -0.52 0.50 0.00 0.00 0.00 176.54 176.91 1wn2 h LYS 23 N 0.86 0.76 -0.64 4.80 1.79 -1.74 -2.04 116.57 120.36 1wn2 h LYS 23 Ca 0.18 -0.51 -0.04 0.00 -2.18 0.00 0.00 60.65 58.10 1wn2 h LYS 23 Cb 0.40 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1wn2 h LYS 23 CO 0.01 1.13 0.26 1.25 -1.08 0.00 0.00 179.45 181.02 1wn2 h LEU 24 N 0.50 0.87 -0.89 2.94 6.46 -0.99 -0.47 115.31 123.73 1wn2 h LEU 24 Ca 0.00 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1wn2 h LEU 24 Cb 1.13 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1wn2 h LEU 24 CO 0.11 0.80 0.43 0.00 -0.62 0.00 0.00 178.44 179.17 1wn2 h ALA 25 N 1.11 1.13 -0.72 1.25 0.00 -1.12 -0.38 119.26 120.53 1wn2 h ALA 25 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1wn2 h ALA 25 Cb 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1wn2 h ALA 25 CO -0.02 0.66 0.26 0.00 0.00 0.00 0.00 179.25 180.15 1wn2 h ALA 26 N 1.25 0.94 -0.56 0.00 0.00 -0.80 -0.98 119.26 119.11 1wn2 h ALA 26 Ca 0.30 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1wn2 h ALA 26 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wn2 h ALA 26 CO -0.04 0.59 0.10 1.96 0.00 0.00 0.00 179.25 181.86 1wn2 h GLN 27 N 1.05 0.92 -0.94 0.00 1.08 -0.51 -0.04 115.11 116.67 1wn2 h GLN 27 Ca 0.24 -0.24 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1wn2 h GLN 27 Cb 0.26 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1wn2 h GLN 27 CO -0.01 0.88 0.62 0.28 -0.95 0.00 0.00 178.83 179.64 1wn2 h VAL 28 N 0.81 1.22 -0.59 -0.54 2.07 -0.79 -1.47 116.25 116.96 1wn2 h VAL 28 Ca 0.17 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1wn2 h VAL 28 Cb 0.40 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1wn2 h VAL 28 CO 0.01 0.23 0.04 0.00 0.02 0.00 0.00 177.57 177.87 1wn2 h ALA 29 N 1.35 0.95 -0.47 1.67 0.00 -0.69 -0.63 119.26 121.44 1wn2 h ALA 29 Ca 0.35 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wn2 h ALA 29 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1wn2 h ALA 29 CO -0.08 0.64 0.27 0.45 0.00 0.00 0.00 179.25 180.53 1wn2 h HIS 30 N 0.93 0.51 -0.18 0.00 -0.00 -0.25 -0.52 115.15 115.64 1wn2 h HIS 30 Ca 0.18 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1wn2 h HIS 30 Cb 0.48 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1wn2 h HIS 30 CO 0.03 0.29 0.10 0.78 -0.00 0.00 0.00 177.93 179.13 1wn2 h GLY 31 N 0.55 0.26 0.98 2.45 0.00 -0.83 -0.91 103.07 105.56 1wn2 h GLY 31 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1wn2 h GLY 31 CO -0.10 0.11 0.14 0.00 0.00 0.00 0.00 176.54 176.70 1wn2 h ALA 32 N 1.00 0.29 -0.13 3.60 0.00 -0.85 -0.56 119.26 122.61 1wn2 h ALA 32 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wn2 h ALA 32 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wn2 h ALA 32 CO -0.01 -0.25 0.05 0.28 0.00 0.00 0.00 179.25 179.32 1wn2 h VAL 33 N 0.30 1.15 -0.31 0.00 2.07 -1.03 -0.81 116.25 117.61 1wn2 h VAL 33 Ca 0.09 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1wn2 h VAL 33 Cb -0.02 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1wn2 h VAL 33 CO -0.03 0.14 0.15 0.74 0.02 0.00 0.00 177.57 178.59 1wn2 h THR 34 N 0.05 1.16 -0.05 2.57 2.02 -1.03 -1.69 112.91 115.94 1wn2 h THR 34 Ca 0.04 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.66 1wn2 h THR 34 Cb 0.17 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1wn2 h THR 34 CO -0.00 0.17 -0.45 0.00 0.37 0.00 0.00 175.52 175.60 1wn2 h ALA 35 N 1.00 1.14 -0.54 6.16 0.00 -1.11 -1.55 119.26 124.36 1wn2 h ALA 35 Ca 0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1wn2 h ALA 35 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1wn2 h ALA 35 CO -0.01 0.60 0.23 0.00 0.00 0.00 0.00 179.25 180.07 1wn2 h ALA 36 N 1.43 0.70 0.00 0.00 0.00 -0.79 -0.82 119.26 119.78 1wn2 h ALA 36 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1wn2 h ALA 36 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wn2 h ALA 36 CO 0.06 0.30 -0.42 0.74 0.00 0.00 0.00 179.25 179.93 1wn2 h PHE 37 N 0.73 0.00 -0.42 0.00 0.04 -1.04 0.18 116.94 116.43 1wn2 h PHE 37 Ca 0.18 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 1wn2 h PHE 37 Cb 0.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1wn2 h PHE 37 CO 0.00 0.42 0.07 0.93 -0.60 0.00 0.00 178.31 179.14 1wn2 h GLU 38 N 0.00 0.69 -0.45 1.51 4.39 -0.70 -1.71 114.58 118.30 1wn2 h GLU 38 Ca -0.00 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 1wn2 h GLU 38 Cb 0.86 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1wn2 h GLU 38 CO 0.06 0.73 -0.22 0.00 -1.16 0.00 0.00 179.01 178.41 1wn2 h ALA 39 N 0.94 0.75 -0.80 3.43 0.00 -0.85 -0.12 119.26 122.61 1wn2 h ALA 39 Ca 0.13 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1wn2 h ALA 39 Cb 0.37 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1wn2 h ALA 39 CO 0.01 0.66 0.51 -0.92 0.00 0.00 0.00 179.25 179.51 1wn2 h TYR 40 N 0.80 0.95 0.02 0.00 3.20 -0.72 0.46 116.97 121.68 1wn2 h TYR 40 Ca 0.10 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.74 1wn2 h TYR 40 Cb 0.78 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1wn2 h TYR 40 CO 0.05 0.54 -1.42 0.87 -1.64 0.00 0.00 178.16 176.56 1wn2 h LYS 41 N 0.99 0.04 0.00 1.82 1.79 -1.21 -3.33 116.57 116.66 1wn2 h LYS 41 Ca 0.32 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1wn2 h LYS 41 Cb 0.02 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1wn2 h LYS 41 CO -0.12 0.79 -0.05 1.63 -1.08 0.00 0.00 179.45 180.62 1wn2 n LYS 42 N -3.23 6.62 -3.04 3.15 5.02 -0.07 -4.74 118.16 121.87 1wn2 n LYS 42 Ca -0.11 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 1wn2 n LYS 42 Cb 1.01 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 1wn2 n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wn2 n LYS 43 N -1.03 1.70 -0.34 1.97 4.76 0.16 -4.96 118.16 120.42 1wn2 n LYS 43 Ca 0.00 -3.81 0.15 0.00 -2.87 0.00 0.00 58.31 51.78 1wn2 n LYS 43 Cb 0.02 -1.83 0.35 0.00 -1.84 0.00 0.00 35.03 31.73 1wn2 n LYS 43 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1wn2 h ARG 44 N 2.98 0.62 -0.61 1.97 9.65 -1.49 -0.32 114.38 127.18 1wn2 h ARG 44 Ca 0.10 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1wn2 h ARG 44 Cb 0.86 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 1wn2 h ARG 44 CO 0.60 0.41 0.22 0.93 2.80 0.00 0.00 179.97 184.93 1wn2 h GLU 45 N 0.64 0.92 -0.52 0.20 5.08 -1.91 -0.65 114.58 118.34 1wn2 h GLU 45 Ca 0.61 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1wn2 h GLU 45 Cb 1.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1wn2 h GLU 45 CO -0.44 0.80 0.20 -1.49 -1.00 0.00 0.00 179.01 177.08 1wn2 h TRP 46 N 0.85 0.79 0.17 4.33 4.06 -1.43 -2.25 115.95 122.47 1wn2 h TRP 46 Ca 0.20 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.08 1wn2 h TRP 46 Cb 0.23 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1wn2 h TRP 46 CO 0.01 0.66 -0.08 0.35 -3.56 0.00 0.00 178.44 175.82 1wn2 h PHE 47 N 0.70 -0.22 -0.51 0.49 3.57 -1.02 -2.26 116.94 117.69 1wn2 h PHE 47 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1wn2 h PHE 47 Cb 0.21 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1wn2 h PHE 47 CO 0.01 -0.10 0.23 0.93 -2.23 0.00 0.00 178.31 177.15 1wn2 h GLU 48 N -0.28 0.43 0.02 1.11 4.39 -1.04 0.16 114.58 119.37 1wn2 h GLU 48 Ca -0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wn2 h GLU 48 Cb 0.21 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1wn2 h GLU 48 CO 0.04 0.29 -0.01 0.00 -1.16 0.00 0.00 179.01 178.16 1wn2 h ALA 49 N 1.30 -0.03 -0.11 3.43 0.00 -1.39 -2.68 119.26 119.79 1wn2 h ALA 49 Ca 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wn2 h ALA 49 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wn2 h ALA 49 CO -0.19 -0.47 -0.04 2.35 0.00 0.00 0.00 179.25 180.89 1wn2 h TRP 50 N -0.12 -0.10 -0.04 0.00 7.01 -1.11 -1.69 115.95 119.90 1wn2 h TRP 50 Ca -0.00 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1wn2 h TRP 50 Cb 0.11 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1wn2 h TRP 50 CO -0.05 -0.07 0.03 0.35 -2.79 0.00 0.00 178.44 175.91 1wn2 h PHE 51 N -0.03 0.00 -0.02 2.65 3.57 -0.61 0.16 116.94 122.67 1wn2 h PHE 51 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1wn2 h PHE 51 Cb 0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1wn2 h PHE 51 CO -0.17 0.00 -0.13 2.89 -2.23 0.00 0.00 178.31 178.67 1wn2 n ARG 52 N -4.53 1.59 -1.23 1.11 1.85 -1.02 -4.31 116.66 110.13 1wn2 n ARG 52 Ca -0.02 -1.35 -0.24 0.00 -1.00 0.00 0.00 57.85 55.23 1wn2 n ARG 52 Cb 0.13 -1.35 0.15 0.00 -1.05 0.00 0.00 32.46 30.34 1wn2 n ARG 52 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1wn2 n GLU 53 N 0.65 2.36 -0.23 2.89 1.02 -0.65 -4.86 120.64 121.82 1wn2 n GLU 53 Ca 0.10 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 1wn2 n GLU 53 Cb 0.44 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1wn2 n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wn2 n GLY 54 N -1.07 0.63 3.92 0.62 0.00 -1.22 -4.55 105.19 103.52 1wn2 n GLY 54 Ca 0.57 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.33 1wn2 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wn2 n GLN 55 N -2.00 -0.85 -1.60 1.61 10.64 0.52 -4.73 117.38 120.97 1wn2 n GLN 55 Ca 0.00 0.04 -0.50 0.00 -1.83 0.00 0.00 57.00 54.71 1wn2 n GLN 55 Cb 0.00 -2.55 -0.05 0.00 -0.86 0.00 0.00 30.24 26.78 1wn2 n GLN 55 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1wn2 n LYS 56 N -3.84 1.34 -4.20 2.61 4.81 -1.26 -4.86 118.16 112.76 1wn2 n LYS 56 Ca -0.22 0.48 -0.17 0.00 -0.87 0.00 0.00 58.31 57.53 1wn2 n LYS 56 Cb 0.52 -2.11 -0.15 0.00 0.02 0.00 0.00 35.03 33.31 1wn2 n LYS 56 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wn2 s LYS 57 N 0.27 0.53 -0.04 1.64 1.02 -1.26 -1.04 119.74 120.87 1wn2 s LYS 57 Ca 0.80 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.62 1wn2 s LYS 57 Cb -0.87 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1wn2 s LYS 57 CO 0.47 0.11 -0.12 0.08 -0.92 0.00 0.00 175.35 174.97 1wn2 s VAL 58 N -0.01 1.01 -0.25 3.17 1.01 -0.71 -4.98 120.40 119.63 1wn2 s VAL 58 Ca 0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1wn2 s VAL 58 Cb -0.04 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1wn2 s VAL 58 CO -0.00 0.31 0.08 -0.69 0.00 0.00 0.00 175.10 174.80 1wn2 s VAL 59 N 0.22 4.42 0.52 2.92 1.01 -1.26 -1.09 120.40 127.14 1wn2 s VAL 59 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1wn2 s VAL 59 Cb -0.10 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1wn2 s VAL 59 CO 0.01 0.33 0.11 0.68 0.00 0.00 0.00 175.10 176.24 1wn2 s VAL 60 N 1.62 1.32 0.14 2.92 -7.23 -0.28 -2.22 120.40 116.67 1wn2 s VAL 60 Ca 0.06 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1wn2 s VAL 60 Cb -0.15 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1wn2 s VAL 60 CO 0.04 0.00 0.05 -1.59 -0.31 0.00 0.00 175.10 173.29 1wn2 s LYS 61 N -3.98 0.95 0.16 4.82 -2.85 -0.07 -0.71 119.74 118.05 1wn2 s LYS 61 Ca 0.14 -1.45 -0.03 0.00 -1.00 0.00 0.00 55.97 53.63 1wn2 s LYS 61 Cb 0.01 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1wn2 s LYS 61 CO 0.08 -0.24 0.12 0.14 0.10 0.00 0.00 175.35 175.55 1wn2 s VAL 62 N -4.00 0.07 -0.25 1.79 -7.23 -0.76 -4.17 120.40 105.86 1wn2 s VAL 62 Ca 0.24 -1.84 0.16 0.00 -1.81 0.00 0.00 61.98 58.73 1wn2 s VAL 62 Cb 0.07 -2.14 0.44 0.00 0.56 0.00 0.00 36.38 35.32 1wn2 s VAL 62 CO 0.02 -0.31 1.34 -0.62 -0.31 0.00 0.00 175.10 175.22 1wn2 n GLU 63 N -0.17 2.62 -3.53 4.82 -0.58 -1.26 -1.21 120.64 121.33 1wn2 n GLU 63 Ca -0.04 -2.66 -0.11 0.00 -0.42 0.00 0.00 57.16 53.93 1wn2 n GLU 63 Cb 0.64 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 1wn2 n GLU 63 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1wn2 s SER 64 N -1.97 -0.48 0.16 1.62 1.04 -1.26 -4.64 113.70 108.17 1wn2 s SER 64 Ca 0.37 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1wn2 s SER 64 Cb 0.29 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 67.01 1wn2 s SER 64 CO 0.08 -1.04 1.36 1.05 0.98 0.00 0.00 173.24 175.68 1wn2 h GLU 65 N 2.03 0.30 -0.92 4.02 -0.00 -1.95 -3.25 114.58 114.81 1wn2 h GLU 65 Ca -0.31 -0.31 0.06 0.00 -0.00 0.00 0.00 59.36 58.80 1wn2 h GLU 65 Cb 1.29 0.09 -0.06 0.00 -0.00 0.00 0.00 28.75 30.07 1wn2 h GLU 65 CO 0.36 1.00 0.60 0.93 -0.00 0.00 0.00 179.01 181.90 1wn2 h GLU 66 N 0.18 1.03 -0.15 1.06 3.07 -1.99 -1.91 114.58 115.87 1wn2 h GLU 66 Ca -0.05 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 1wn2 h GLU 66 Cb 1.49 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1wn2 h GLU 66 CO 0.14 0.68 -0.26 0.93 -1.40 0.00 0.00 179.01 179.10 1wn2 h GLU 67 N 1.06 0.27 -0.67 2.33 5.08 -1.97 -2.07 114.58 118.62 1wn2 h GLU 67 Ca 0.39 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1wn2 h GLU 67 Cb 0.18 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1wn2 h GLU 67 CO -0.15 0.52 0.17 -0.07 -1.00 0.00 0.00 179.01 178.48 1wn2 h LEU 68 N 0.25 1.01 -0.53 1.33 3.38 -1.46 -0.86 115.31 118.42 1wn2 h LEU 68 Ca 0.04 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1wn2 h LEU 68 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1wn2 h LEU 68 CO 0.04 0.98 0.07 -0.26 0.09 0.00 0.00 178.44 179.36 1wn2 h PHE 69 N 0.99 0.96 -0.53 1.13 0.04 -1.30 -0.13 116.94 118.10 1wn2 h PHE 69 Ca 0.21 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 1wn2 h PHE 69 Cb 0.36 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1wn2 h PHE 69 CO 0.03 0.86 -0.06 0.87 -0.60 0.00 0.00 178.31 179.41 1wn2 h LYS 70 N 0.78 0.95 -0.40 1.51 1.57 -1.18 -1.66 116.57 118.14 1wn2 h LYS 70 Ca 0.16 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 1wn2 h LYS 70 Cb 0.43 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1wn2 h LYS 70 CO 0.01 0.97 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.63 1wn2 h LEU 71 N 0.86 0.76 -0.61 2.94 3.38 -0.97 -2.21 115.31 119.46 1wn2 h LEU 71 Ca 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1wn2 h LEU 71 Cb 0.58 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1wn2 h LEU 71 CO 0.04 0.93 0.24 0.50 0.09 0.00 0.00 178.44 180.23 1wn2 h LYS 72 N 0.68 0.91 -0.91 1.13 3.64 -0.67 -0.66 116.57 120.68 1wn2 h LYS 72 Ca 0.11 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1wn2 h LYS 72 Cb 0.65 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1wn2 h LYS 72 CO 0.05 0.78 0.60 0.00 -2.27 0.00 0.00 179.45 178.61 1wn2 h ALA 73 N 1.09 1.16 -0.58 5.00 0.00 -1.07 0.15 119.26 125.01 1wn2 h ALA 73 Ca 0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1wn2 h ALA 73 Cb 0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wn2 h ALA 73 CO -0.02 0.52 -0.05 0.93 0.00 0.00 0.00 179.25 180.63 1wn2 h GLU 74 N 1.21 1.06 -0.64 0.00 5.08 -0.94 -1.03 114.58 119.32 1wn2 h GLU 74 Ca 0.34 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1wn2 h GLU 74 Cb -0.10 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1wn2 h GLU 74 CO -0.09 1.07 0.22 0.00 -1.00 0.00 0.00 179.01 179.21 1wn2 h ALA 75 N 0.97 0.84 -0.57 3.43 0.00 -0.49 -2.20 119.26 121.24 1wn2 h ALA 75 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wn2 h ALA 75 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1wn2 h ALA 75 CO 0.04 0.50 0.28 0.93 0.00 0.00 0.00 179.25 181.00 1wn2 h GLU 76 N 0.92 0.81 0.00 0.00 5.08 -0.74 -1.21 114.58 119.44 1wn2 h GLU 76 Ca 0.21 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1wn2 h GLU 76 Cb 0.27 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wn2 h GLU 76 CO -0.01 0.65 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.30 1wn2 h LYS 77 N 0.77 0.00 -0.20 2.33 3.64 -0.88 -1.78 116.57 120.46 1wn2 h LYS 77 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1wn2 h LYS 77 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1wn2 h LYS 77 CO -0.03 0.13 0.00 1.28 -2.27 0.00 0.00 179.45 178.57 1wn2 n LEU 78 N -3.67 2.59 -1.47 5.20 4.77 -0.86 -4.95 117.00 118.61 1wn2 n LEU 78 Ca -0.02 -1.02 -0.12 0.00 -0.03 0.00 0.00 56.01 54.82 1wn2 n LEU 78 Cb 0.25 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1wn2 n LEU 78 CO 0.31 0.51 -0.10 0.61 -1.33 0.00 0.00 177.39 177.39 1wn2 n GLY 79 N 1.32 -0.07 3.83 -0.72 0.00 -0.67 -5.02 105.19 103.86 1wn2 n GLY 79 Ca 0.17 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1wn2 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wn2 s LEU 80 N -3.53 4.45 0.37 0.99 1.43 -0.51 -5.04 118.68 116.85 1wn2 s LEU 80 Ca 0.05 0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 53.78 1wn2 s LEU 80 Cb -0.02 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.54 1wn2 s LEU 80 CO 0.07 0.30 1.40 -2.84 0.23 0.00 0.00 176.35 175.51 1wn2 s PRO 81 N -0.89 4.14 0.21 1.29 0.02 -1.26 -4.60 135.00 133.91 1wn2 s PRO 81 Ca 0.23 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 63.45 1wn2 s PRO 81 Cb -0.16 -2.96 0.04 0.00 0.02 0.00 0.00 34.50 31.44 1wn2 s PRO 81 CO 0.12 -0.43 0.60 0.54 -0.33 0.00 0.00 177.00 177.50 1wn2 s ASN 82 N -0.35 -0.34 -0.16 2.53 2.20 -1.26 -0.65 114.94 116.91 1wn2 s ASN 82 Ca 0.52 -0.40 -0.06 0.00 -0.94 0.00 0.00 52.86 51.98 1wn2 s ASN 82 Cb -0.43 0.63 0.07 0.00 -2.00 0.00 0.00 41.25 39.52 1wn2 s ASN 82 CO 0.58 -1.12 0.33 0.00 -2.94 0.00 0.00 177.10 173.95 1wn2 s ALA 83 N -3.86 -0.82 -0.29 3.54 0.00 -0.34 -4.70 121.76 115.29 1wn2 s ALA 83 Ca 0.08 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 1wn2 s ALA 83 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1wn2 s ALA 83 CO -0.02 -0.67 0.27 -1.17 0.00 0.00 0.00 175.76 174.16 1wn2 s LEU 84 N 2.45 4.15 -0.09 0.00 2.96 -1.26 -1.04 118.68 125.84 1wn2 s LEU 84 Ca -0.00 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.79 1wn2 s LEU 84 Cb -0.12 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 1wn2 s LEU 84 CO -0.10 -0.15 0.23 -0.63 -1.32 0.00 0.00 176.35 174.38 1wn2 s ILE 85 N 1.87 5.35 0.07 6.68 -1.09 -0.07 -5.02 121.20 128.99 1wn2 s ILE 85 Ca 0.10 0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.96 1wn2 s ILE 85 Cb -0.16 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1wn2 s ILE 85 CO 0.11 0.58 -0.09 0.00 -1.23 0.00 0.00 174.94 174.31 1wn2 s ARG 86 N -0.87 0.72 -0.19 2.79 1.70 -1.26 -0.69 118.95 121.14 1wn2 s ARG 86 Ca 0.17 -1.03 -0.05 0.00 -0.47 0.00 0.00 55.73 54.36 1wn2 s ARG 86 Cb -0.13 -0.37 0.07 0.00 -0.57 0.00 0.00 34.95 33.94 1wn2 s ARG 86 CO 0.06 0.05 0.09 0.34 -1.08 0.00 0.00 175.30 174.76 1wn2 s ASP 87 N -2.21 2.60 0.52 -2.89 -1.08 -1.26 -5.00 116.67 107.35 1wn2 s ASP 87 Ca 0.01 -0.75 0.22 0.00 -0.52 0.00 0.00 52.55 51.51 1wn2 s ASP 87 Cb -0.04 -0.31 1.34 0.00 -1.46 0.00 0.00 42.92 42.45 1wn2 s ASP 87 CO -0.01 -0.36 2.03 0.00 0.52 0.00 0.00 175.17 177.35 1wn2 h ALA 88 N 8.39 2.36 0.00 3.66 0.00 -1.99 -0.72 119.26 130.96 1wn2 h ALA 88 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wn2 h ALA 88 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wn2 h ALA 88 CO 0.32 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1wn2 n GLY 89 N -1.61 -1.54 3.09 0.00 0.00 -1.26 -4.35 105.19 99.52 1wn2 n GLY 89 Ca 0.07 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1wn2 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wn2 n LEU 90 N -1.73 6.11 0.00 0.99 7.94 -0.28 -4.79 117.00 125.24 1wn2 n LEU 90 Ca 0.06 -4.54 0.12 0.00 -1.11 0.00 0.00 56.01 50.55 1wn2 n LEU 90 Cb 0.36 -1.54 0.69 0.00 0.53 0.00 0.00 43.42 43.45 1wn2 n LEU 90 CO 0.27 1.10 0.92 0.35 -1.11 0.00 0.00 177.39 178.92 1wn2 n THR 91 N 3.95 0.11 1.53 1.96 -2.24 -1.26 -3.24 114.28 115.09 1wn2 n THR 91 Ca 0.40 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.34 1wn2 n THR 91 Cb 0.39 -0.63 0.76 0.00 -2.10 0.00 0.00 70.33 68.76 1wn2 n THR 91 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wn2 n GLU 92 N -1.14 0.64 -4.21 -0.78 0.00 -1.26 -4.71 120.64 109.18 1wn2 n GLU 92 Ca 0.15 0.02 -0.14 0.00 0.00 0.00 0.00 57.16 57.19 1wn2 n GLU 92 Cb 0.14 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.97 1wn2 n GLU 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1wn2 s ILE 93 N -2.28 1.06 0.47 3.84 -4.36 -1.20 -5.12 121.20 113.60 1wn2 s ILE 93 Ca 0.34 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.69 1wn2 s ILE 93 Cb 0.19 -1.59 -0.10 0.00 1.25 0.00 0.00 42.46 42.21 1wn2 s ILE 93 CO 0.37 -0.63 0.78 -2.65 0.24 0.00 0.00 174.94 173.04 1wn2 n PRO 94 N 0.23 0.90 -1.74 0.37 -0.02 -1.26 -4.89 135.00 128.59 1wn2 n PRO 94 Ca -0.13 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1wn2 n PRO 94 Cb 0.59 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 1wn2 n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wn2 n PRO 95 N 0.09 2.53 -0.48 0.52 -0.02 -1.26 -2.21 135.00 134.17 1wn2 n PRO 95 Ca 0.11 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1wn2 n PRO 95 Cb 0.42 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1wn2 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wn2 n GLY 96 N 1.16 1.69 3.72 -1.23 0.00 -1.26 -5.01 105.19 104.26 1wn2 n GLY 96 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1wn2 n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wn2 s THR 97 N -3.35 2.47 0.14 2.61 2.01 -0.94 -4.92 115.64 113.66 1wn2 s THR 97 Ca 0.00 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.08 1wn2 s THR 97 Cb 0.00 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 1wn2 s THR 97 CO 0.00 0.03 0.79 -0.69 -0.69 0.00 0.00 174.62 174.06 1wn2 s VAL 98 N 1.13 4.45 -0.16 3.82 1.01 -1.26 -4.35 120.40 125.04 1wn2 s VAL 98 Ca 0.71 1.72 0.01 0.00 0.00 0.00 0.00 61.98 64.42 1wn2 s VAL 98 Cb -0.45 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 1wn2 s VAL 98 CO 0.32 0.48 -0.14 0.35 0.00 0.00 0.00 175.10 176.10 1wn2 n THR 99 N 1.93 0.89 -3.87 3.92 -2.24 0.13 -4.92 114.28 110.13 1wn2 n THR 99 Ca -0.04 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1wn2 n THR 99 Cb 0.49 -1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 67.55 1wn2 n THR 99 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wn2 s VAL 100 N -2.31 0.15 -0.12 2.28 -7.23 -1.25 -1.80 120.40 110.12 1wn2 s VAL 100 Ca -0.21 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1wn2 s VAL 100 Cb 0.06 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.67 1wn2 s VAL 100 CO 0.35 -0.67 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.17 1wn2 s LEU 101 N -2.87 1.22 -0.16 1.32 2.96 -0.22 -0.89 118.68 120.05 1wn2 s LEU 101 Ca 0.05 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1wn2 s LEU 101 Cb 0.05 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1wn2 s LEU 101 CO -0.11 -0.11 0.12 0.00 -1.32 0.00 0.00 176.35 174.93 1wn2 s ALA 102 N 1.68 3.72 -0.14 5.97 0.00 -0.21 -0.12 121.76 132.67 1wn2 s ALA 102 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1wn2 s ALA 102 Cb -0.13 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1wn2 s ALA 102 CO -0.08 0.36 -0.18 0.08 0.00 0.00 0.00 175.76 175.93 1wn2 s VAL 103 N -0.22 1.79 0.00 0.00 1.01 0.38 -1.20 120.40 122.16 1wn2 s VAL 103 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1wn2 s VAL 103 Cb -0.12 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1wn2 s VAL 103 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1wn2 n GLY 104 N 4.34 -3.19 3.74 4.51 0.00 0.17 -0.77 105.19 114.00 1wn2 n GLY 104 Ca -0.19 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 1wn2 n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wn2 n PRO 105 N -0.05 2.07 -3.66 1.61 -0.04 -1.26 -4.37 135.00 129.31 1wn2 n PRO 105 Ca 0.00 0.74 -0.02 0.00 -0.04 0.00 0.00 63.50 64.18 1wn2 n PRO 105 Cb 0.00 -2.56 -0.01 0.00 -0.04 0.00 0.00 33.50 30.89 1wn2 n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wn2 s ALA 106 N -1.21 -1.91 0.23 0.55 0.00 -1.02 -4.67 121.76 113.73 1wn2 s ALA 106 Ca 0.63 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 1wn2 s ALA 106 Cb -0.46 0.45 -0.14 0.00 0.00 0.00 0.00 23.12 22.98 1wn2 s ALA 106 CO 0.56 -0.97 1.39 -2.30 0.00 0.00 0.00 175.76 174.45 1wn2 n PRO 107 N -0.42 1.97 -0.33 0.00 -0.02 -1.26 -1.94 135.00 133.01 1wn2 n PRO 107 Ca -0.07 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1wn2 n PRO 107 Cb 0.61 -2.35 0.29 0.00 -0.02 0.00 0.00 33.50 32.04 1wn2 n PRO 107 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wn2 h GLU 108 N 4.18 0.63 -0.04 -0.52 4.81 -0.94 -1.36 114.58 121.35 1wn2 h GLU 108 Ca -0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1wn2 h GLU 108 Cb 1.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1wn2 h GLU 108 CO 0.75 0.42 -0.20 1.05 -0.73 0.00 0.00 179.01 180.31 1wn2 h GLU 109 N 0.65 0.06 0.14 1.92 4.11 -1.89 -0.44 114.58 119.13 1wn2 h GLU 109 Ca 0.55 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.73 1wn2 h GLU 109 Cb 0.87 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.14 1wn2 h GLU 109 CO -0.41 0.26 -0.97 0.82 0.07 0.00 0.00 179.01 178.78 1wn2 h ILE 110 N 0.06 1.42 -0.74 -1.06 2.04 -1.63 -3.20 117.51 114.40 1wn2 h ILE 110 Ca 0.01 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1wn2 h ILE 110 Cb 0.38 3.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 1wn2 h ILE 110 CO 0.03 0.72 0.47 0.58 0.00 0.00 0.00 178.15 179.95 1wn2 h VAL 111 N -0.14 1.20 0.00 1.67 2.07 -1.19 -2.22 116.25 117.64 1wn2 h VAL 111 Ca -0.16 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1wn2 h VAL 111 Cb 1.74 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1wn2 h VAL 111 CO 0.18 0.20 -0.02 0.44 0.02 0.00 0.00 177.57 178.39 1wn2 h ASP 112 N 1.00 0.00 0.10 0.57 3.32 -1.16 -0.80 116.42 119.45 1wn2 h ASP 112 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1wn2 h ASP 112 Cb -0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1wn2 h ASP 112 CO -0.05 0.02 -0.09 0.11 -1.72 0.00 0.00 179.24 177.51 1wn2 h LYS 113 N 0.00 0.00 0.02 3.56 1.57 -1.39 0.16 116.57 120.49 1wn2 h LYS 113 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1wn2 h LYS 113 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1wn2 h LYS 113 CO 0.00 0.09 -1.93 0.28 -0.57 0.00 0.00 179.45 177.33 1wn2 n VAL 114 N -4.38 1.58 0.63 0.50 0.31 -0.42 -4.71 118.33 111.84 1wn2 n VAL 114 Ca -0.03 -0.32 0.07 0.00 -0.01 0.00 0.00 64.34 64.05 1wn2 n VAL 114 Cb 0.17 -1.86 0.02 0.00 -0.91 0.00 0.00 33.84 31.26 1wn2 n VAL 114 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wn2 n THR 115 N -4.04 0.00 0.07 2.52 -2.24 -0.55 -4.70 114.28 105.34 1wn2 n THR 115 Ca -0.40 -0.39 0.20 0.00 -2.27 0.00 0.00 64.05 61.18 1wn2 n THR 115 Cb 0.85 1.21 0.74 0.00 -2.10 0.00 0.00 70.33 71.03 1wn2 n THR 115 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wn2 h GLY 116 N 3.01 0.00 -2.16 3.38 0.00 -0.86 -1.80 103.07 104.64 1wn2 h GLY 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wn2 h GLY 116 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1wn2 n ASN 117 N -4.04 3.38 -4.82 0.19 5.03 -1.26 -4.97 115.26 108.78 1wn2 n ASN 117 Ca 0.07 -1.96 -0.33 0.00 0.87 0.00 0.00 54.58 53.24 1wn2 n ASN 117 Cb 0.56 -0.27 -0.05 0.00 -1.02 0.00 0.00 39.78 38.99 1wn2 n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wn2 s LEU 118 N -1.30 3.85 0.24 3.41 1.43 -0.68 -5.03 118.68 120.60 1wn2 s LEU 118 Ca 0.37 1.72 -0.09 0.00 -1.03 0.00 0.00 54.13 55.10 1wn2 s LEU 118 Cb 0.21 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.82 1wn2 s LEU 118 CO 0.29 -0.50 0.54 -0.54 0.23 0.00 0.00 176.35 176.36 1wn2 s LYS 119 N -3.38 3.76 0.34 1.70 1.02 -1.26 -4.91 119.74 117.02 1wn2 s LYS 119 Ca 0.62 0.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.55 1wn2 s LYS 119 Cb -0.11 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1wn2 s LYS 119 CO 0.18 0.31 1.21 -0.51 -0.92 0.00 0.00 175.35 175.62 1wn2 s LEU 120 N -2.94 4.38 0.00 3.17 1.43 -1.26 -0.89 118.68 122.57 1wn2 s LEU 120 Ca 0.46 2.47 0.17 0.00 -1.03 0.00 0.00 54.13 56.20 1wn2 s LEU 120 Cb -0.11 -3.76 0.99 0.00 0.03 0.00 0.00 46.19 43.34 1wn2 s LEU 120 CO 0.23 -0.48 1.40 -0.11 0.23 0.00 0.00 176.35 177.62