#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s LYS 2 N 0.00 3.62 0.62 -0.52 -2.85 -1.26 -5.08 119.74 114.27 2wwq s LYS 2 Ca 0.00 -0.07 -0.16 0.00 -1.00 0.00 0.00 55.97 54.74 2wwq s LYS 2 Cb 0.00 -2.94 -0.02 0.00 -2.06 0.00 0.00 37.83 32.80 2wwq s LYS 2 CO 0.00 0.54 1.10 0.96 0.10 0.00 0.00 175.35 178.05 2wwq s ILE 3 N -1.52 3.38 0.33 3.79 -4.36 -1.26 -5.05 121.20 116.51 2wwq s ILE 3 Ca 0.36 0.68 0.05 0.00 -0.26 0.00 0.00 60.65 61.49 2wwq s ILE 3 Cb -0.13 -3.21 -0.07 0.00 1.25 0.00 0.00 42.46 40.31 2wwq s ILE 3 CO 0.22 -0.36 0.01 -1.59 0.24 0.00 0.00 174.94 173.46 2wwq s LYS 4 N -3.94 1.69 0.32 0.37 -2.85 -1.26 -5.05 119.74 109.03 2wwq s LYS 4 Ca 0.67 -1.92 0.08 0.00 -1.00 0.00 0.00 55.97 53.80 2wwq s LYS 4 Cb -0.20 -1.14 -0.03 0.00 -2.06 0.00 0.00 37.83 34.40 2wwq s LYS 4 CO 0.37 -0.08 0.22 0.95 0.10 0.00 0.00 175.35 176.91 2wwq s THR 5 N -3.07 3.48 -0.72 3.79 -4.23 -1.26 -4.69 115.64 108.95 2wwq s THR 5 Ca 0.34 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 2wwq s THR 5 Cb 0.07 -3.13 0.15 0.00 1.34 0.00 0.00 72.50 70.94 2wwq s THR 5 CO 0.15 -0.21 0.75 -0.69 -0.54 0.00 0.00 174.62 174.08 2wwq s VAL 6 N -2.32 5.15 0.15 2.29 1.01 -0.14 -4.96 120.40 121.59 2wwq s VAL 6 Ca 0.38 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2wwq s VAL 6 Cb -0.05 -4.50 0.19 0.00 0.00 0.00 0.00 36.38 32.02 2wwq s VAL 6 CO 0.25 -1.10 0.74 0.54 0.00 0.00 0.00 175.10 175.52 2wwq n ARG 7 N 5.35 -0.04 0.32 2.72 5.12 -1.26 -1.18 116.66 127.69 2wwq n ARG 7 Ca 0.03 0.70 -0.18 0.00 -1.93 0.00 0.00 57.85 56.46 2wwq n ARG 7 Cb 0.45 -1.14 -0.09 0.00 -1.16 0.00 0.00 32.46 30.52 2wwq n ARG 7 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wwq h GLY 8 N 0.00 -1.13 0.11 -0.13 0.00 -1.97 -2.52 103.07 97.43 2wwq h GLY 8 Ca 0.31 0.51 0.20 0.00 0.00 0.00 0.00 47.33 48.36 2wwq h GLY 8 CO -0.43 -0.37 0.62 0.00 0.00 0.00 0.00 176.54 176.36 2wwq h ALA 9 N -0.75 1.84 0.00 3.60 0.00 -1.81 -1.85 119.26 120.29 2wwq h ALA 9 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wwq h ALA 9 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wwq h ALA 9 CO -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.03 2wwq n ALA 10 N -2.38 2.04 -0.02 0.00 0.00 -0.32 -0.74 120.51 119.09 2wwq n ALA 10 Ca 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.58 2wwq n ALA 10 Cb 0.64 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.84 2wwq n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwq n LYS 11 N -1.12 2.70 0.01 0.00 5.02 -0.70 -4.09 118.16 119.97 2wwq n LYS 11 Ca 0.11 -1.50 0.11 0.00 -2.02 0.00 0.00 58.31 55.00 2wwq n LYS 11 Cb 0.09 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 2wwq n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wwq n ARG 12 N -0.32 0.43 -4.65 1.97 3.00 0.08 -4.96 116.66 112.21 2wwq n ARG 12 Ca 0.02 -0.09 -0.27 0.00 -0.01 0.00 0.00 57.85 57.49 2wwq n ARG 12 Cb 0.26 -1.55 -0.14 0.00 0.00 0.00 0.00 32.46 31.03 2wwq n ARG 12 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wwq s PHE 13 N -3.32 2.02 -0.02 -1.55 0.08 -0.69 -3.98 117.98 110.52 2wwq s PHE 13 Ca -0.01 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 2wwq s PHE 13 Cb 0.14 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 2wwq s PHE 13 CO 0.87 0.15 0.06 0.21 -0.10 0.00 0.00 175.22 176.40 2wwq s LYS 14 N -1.39 0.06 1.09 0.44 2.20 -0.83 -4.81 119.74 116.50 2wwq s LYS 14 Ca 0.09 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.61 2wwq s LYS 14 Cb -0.09 0.01 0.25 0.00 -1.51 0.00 0.00 37.83 36.49 2wwq s LYS 14 CO 0.03 -0.02 1.24 -1.59 -0.36 0.00 0.00 175.35 174.64 2wwq s LYS 15 N 0.11 -0.35 0.24 4.03 0.00 -1.26 -0.94 119.74 121.56 2wwq s LYS 15 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 55.97 55.64 2wwq s LYS 15 Cb -0.01 -1.72 0.01 0.00 0.00 0.00 0.00 37.83 36.10 2wwq s LYS 15 CO -0.00 -3.09 0.33 0.25 0.00 0.00 0.00 175.35 172.84 2wwq n THR 16 N -4.27 0.00 0.38 3.79 -2.24 -1.20 -4.71 114.28 106.03 2wwq n THR 16 Ca 0.15 -1.17 0.14 0.00 -2.27 0.00 0.00 64.05 60.90 2wwq n THR 16 Cb 0.59 0.73 0.48 0.00 -2.10 0.00 0.00 70.33 70.03 2wwq n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2wwq h GLY 17 N 1.32 0.00 0.00 3.38 0.00 -1.99 -3.45 103.07 102.33 2wwq h GLY 17 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wwq h GLY 17 CO 0.25 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.37 2wwq n LYS 18 N -2.64 3.33 0.00 4.80 2.85 -1.26 -4.99 118.16 120.25 2wwq n LYS 18 Ca 0.03 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.43 2wwq n LYS 18 Cb 0.35 0.00 0.73 0.00 -0.65 0.00 0.00 35.03 35.46 2wwq n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wwq n GLY 19 N 4.90 -1.15 3.42 2.58 0.00 -1.26 -4.90 105.19 108.78 2wwq n GLY 19 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2wwq n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wwq s GLY 20 N -2.48 1.50 0.11 -0.02 0.00 -1.26 -4.83 107.32 100.34 2wwq s GLY 20 Ca 0.31 -0.32 -0.04 0.00 0.00 0.00 0.00 44.72 44.67 2wwq s GLY 20 CO 0.46 0.50 0.10 -1.36 0.00 0.00 0.00 173.10 172.80 2wwq s PHE 21 N -2.37 0.57 -0.02 1.90 0.40 -1.26 -3.27 117.98 113.93 2wwq s PHE 21 Ca 0.69 -1.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2wwq s PHE 21 Cb -0.23 -0.31 -0.00 0.00 0.51 0.00 0.00 43.02 43.00 2wwq s PHE 21 CO 0.64 -0.53 -0.10 0.15 0.70 0.00 0.00 175.22 176.07 2wwq s LYS 22 N -3.97 1.01 0.19 0.44 1.02 -0.12 -2.66 119.74 115.66 2wwq s LYS 22 Ca 0.15 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 2wwq s LYS 22 Cb 0.06 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.38 2wwq s LYS 22 CO -0.04 0.17 0.11 -3.38 -0.92 0.00 0.00 175.35 171.29 2wwq s HIS 23 N 0.03 1.13 0.45 3.18 -3.43 -0.94 -1.97 115.29 113.75 2wwq s HIS 23 Ca -0.01 -1.32 0.08 0.00 -0.80 0.00 0.00 55.06 53.01 2wwq s HIS 23 Cb -0.07 -0.58 0.02 0.00 -1.43 0.00 0.00 32.58 30.52 2wwq s HIS 23 CO 0.00 -0.58 0.59 0.21 -2.00 0.00 0.00 174.74 172.97 2wwq s LYS 24 N -4.12 2.69 0.30 -0.38 2.20 -1.26 -2.01 119.74 117.16 2wwq s LYS 24 Ca 0.35 -1.36 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 2wwq s LYS 24 Cb 0.07 -2.69 -0.06 0.00 -1.51 0.00 0.00 37.83 33.65 2wwq s LYS 24 CO 0.10 -0.39 -0.10 -1.01 -0.36 0.00 0.00 175.35 173.59 2wwq s HIS 25 N -2.43 2.13 0.35 4.03 3.76 -1.26 -4.99 115.29 116.88 2wwq s HIS 25 Ca 0.55 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 2wwq s HIS 25 Cb -0.08 -1.16 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 2wwq s HIS 25 CO 0.33 0.45 0.54 0.00 -0.85 0.00 0.00 174.74 175.22 2wwq s ALA 26 N -2.80 3.77 -0.26 -1.40 0.00 -1.26 -4.54 121.76 115.28 2wwq s ALA 26 Ca 0.30 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 2wwq s ALA 26 Cb 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2wwq s ALA 26 CO 0.13 -0.05 0.22 0.09 0.00 0.00 0.00 175.76 176.16 2wwq n ASN 27 N -1.78 -2.66 -0.12 0.00 4.13 -1.26 -4.96 115.26 108.60 2wwq n ASN 27 Ca -0.04 -0.11 0.02 0.00 1.68 0.00 0.00 54.58 56.13 2wwq n ASN 27 Cb 0.57 -1.38 0.01 0.00 -1.54 0.00 0.00 39.78 37.43 2wwq n ASN 27 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wwq n LEU 28 N -1.43 1.01 -4.10 3.41 4.77 -1.26 -4.92 117.00 114.49 2wwq n LEU 28 Ca -0.01 -0.86 -0.32 0.00 -0.03 0.00 0.00 56.01 54.79 2wwq n LEU 28 Cb 0.52 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2wwq n LEU 28 CO 0.12 0.22 -0.52 -0.13 -1.33 0.00 0.00 177.39 175.76 2wwq s ARG 29 N -0.64 2.79 0.18 3.23 1.81 -1.26 -5.00 118.95 120.06 2wwq s ARG 29 Ca 0.04 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 2wwq s ARG 29 Cb 0.03 -2.42 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 2wwq s ARG 29 CO 0.08 -0.19 0.00 -2.39 -0.68 0.00 0.00 175.30 172.12 2wwq n HIS 30 N 4.58 -1.66 -3.92 -0.53 1.44 -1.26 -4.93 115.22 108.94 2wwq n HIS 30 Ca -0.20 0.85 -0.31 0.00 -2.01 0.00 0.00 57.72 56.04 2wwq n HIS 30 Cb 0.50 -1.51 -0.00 0.00 0.12 0.00 0.00 29.99 29.11 2wwq n HIS 30 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 2wwq n ILE 31 N -2.58 -3.73 0.60 0.61 3.06 -1.26 -4.89 119.36 111.17 2wwq n ILE 31 Ca -0.01 -0.67 0.11 0.00 -2.50 0.00 0.00 62.75 59.69 2wwq n ILE 31 Cb 0.58 -2.99 0.15 0.00 0.54 0.00 0.00 39.64 37.92 2wwq n ILE 31 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2wwq n LEU 32 N -4.46 3.14 -0.00 9.51 4.77 -1.26 -2.88 117.00 125.82 2wwq n LEU 32 Ca -0.21 -1.26 0.03 0.00 -0.03 0.00 0.00 56.01 54.54 2wwq n LEU 32 Cb 0.64 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2wwq n LEU 32 CO 0.73 0.61 -0.05 1.07 -1.33 0.00 0.00 177.39 178.42 2wwq n THR 33 N 1.34 0.00 0.61 -5.08 5.66 -1.26 -4.18 114.28 111.37 2wwq n THR 33 Ca 0.16 -0.33 0.06 0.00 -3.05 0.00 0.00 64.05 60.89 2wwq n THR 33 Cb 0.57 0.96 -0.04 0.00 -1.55 0.00 0.00 70.33 70.27 2wwq n THR 33 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wwq n LYS 34 N -1.20 2.33 -3.65 1.09 5.02 -1.23 -4.71 118.16 115.80 2wwq n LYS 34 Ca 0.01 -0.31 -0.38 0.00 -2.02 0.00 0.00 58.31 55.62 2wwq n LYS 34 Cb 0.11 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 2wwq n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wwq s LYS 35 N -2.01 3.73 0.48 1.97 1.02 -1.14 -5.10 119.74 118.69 2wwq s LYS 35 Ca 0.08 0.20 -0.24 0.00 0.02 0.00 0.00 55.97 56.02 2wwq s LYS 35 Cb 0.10 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 2wwq s LYS 35 CO 0.46 0.73 1.41 0.00 -0.92 0.00 0.00 175.35 177.02 2wwq s ALA 36 N -1.06 3.13 -0.42 5.17 0.00 -1.26 -4.68 121.76 122.64 2wwq s ALA 36 Ca 0.20 1.43 0.20 0.00 0.00 0.00 0.00 51.96 53.79 2wwq s ALA 36 Cb -0.15 -3.58 0.97 0.00 0.00 0.00 0.00 23.12 20.36 2wwq s ALA 36 CO 0.10 -1.24 1.61 2.41 0.00 0.00 0.00 175.76 178.64 2wwq n THR 37 N -0.41 1.04 -0.01 0.00 -1.04 -1.26 -1.70 114.28 110.90 2wwq n THR 37 Ca 0.06 0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 62.46 2wwq n THR 37 Cb 0.43 -1.46 -0.14 0.00 -1.82 0.00 0.00 70.33 67.34 2wwq n THR 37 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2wwq h LYS 38 N 0.00 0.07 -0.24 -2.82 3.64 -1.98 -2.79 116.57 112.44 2wwq h LYS 38 Ca 0.00 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2wwq h LYS 38 Cb 0.15 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2wwq h LYS 38 CO 0.00 0.69 -0.01 0.00 -2.27 0.00 0.00 179.45 177.86 2wwq h ARG 39 N 0.02 0.43 -0.57 1.90 3.08 -1.70 -2.71 114.38 114.83 2wwq h ARG 39 Ca -0.31 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2wwq h ARG 39 Cb 2.01 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 32.00 2wwq h ARG 39 CO 0.09 0.62 0.37 -0.22 -1.07 0.00 0.00 179.97 179.75 2wwq h LYS 40 N 0.21 0.75 -0.72 0.04 3.64 -1.43 -3.08 116.57 115.98 2wwq h LYS 40 Ca 0.07 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2wwq h LYS 40 Cb 0.42 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2wwq h LYS 40 CO 0.01 0.51 0.47 -0.09 -2.27 0.00 0.00 179.45 178.09 2wwq h ARG 41 N 0.77 0.71 -1.16 1.90 2.43 -1.19 -2.63 114.38 115.21 2wwq h ARG 41 Ca 0.21 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.02 2wwq h ARG 41 Cb -0.07 -0.16 -0.16 0.00 -0.42 0.00 0.00 29.97 29.16 2wwq h ARG 41 CO -0.04 0.47 0.40 0.72 -1.51 0.00 0.00 179.97 180.01 2wwq n HIS 42 N -4.48 1.69 -0.76 2.20 8.25 -1.16 -3.06 115.22 117.91 2wwq n HIS 42 Ca 0.11 -1.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.03 2wwq n HIS 42 Cb 0.24 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.58 2wwq n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wwq n LEU 43 N -0.19 0.00 -0.11 2.41 4.77 -1.11 -4.94 117.00 117.83 2wwq n LEU 43 Ca 0.33 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 2wwq n LEU 43 Cb 0.95 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.01 2wwq n LEU 43 CO 0.37 0.00 0.63 -0.09 -1.33 0.00 0.00 177.39 176.96 2wwq h ARG 44 N 0.00 0.74 -7.07 3.23 2.43 -1.39 -3.37 114.38 108.95 2wwq h ARG 44 Ca 0.00 -0.35 -0.45 0.00 -0.81 0.00 0.00 59.98 58.37 2wwq h ARG 44 Cb 0.00 -0.01 0.06 0.00 -0.42 0.00 0.00 29.97 29.60 2wwq h ARG 44 CO 0.00 0.96 0.11 -1.25 -1.51 0.00 0.00 179.97 178.28 2wwq s PRO 45 N -4.52 2.51 0.65 0.20 0.04 -1.26 -4.98 135.00 127.63 2wwq s PRO 45 Ca -0.12 -0.40 -0.10 0.00 0.04 0.00 0.00 61.00 60.42 2wwq s PRO 45 Cb 0.09 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wwq s PRO 45 CO 0.83 -0.89 1.02 0.15 0.04 0.00 0.00 177.00 178.15 2wwq s LYS 46 N -4.99 3.11 -0.08 4.56 -0.14 -1.26 -4.78 119.74 116.16 2wwq s LYS 46 Ca 0.57 0.43 -0.25 0.00 -1.36 0.00 0.00 55.97 55.36 2wwq s LYS 46 Cb -0.10 -2.11 0.06 0.00 -1.68 0.00 0.00 37.83 33.99 2wwq s LYS 46 CO 0.42 -0.79 0.57 0.00 -0.76 0.00 0.00 175.35 174.79 2wwq s ALA 47 N -3.20 -1.46 0.66 5.17 0.00 -0.85 -5.00 121.76 117.08 2wwq s ALA 47 Ca 0.56 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.51 2wwq s ALA 47 Cb -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2wwq s ALA 47 CO 0.51 -0.32 1.10 1.41 0.00 0.00 0.00 175.76 178.45 2wwq s MET 48 N -0.92 2.83 1.06 0.00 1.75 -1.26 -2.21 119.30 120.55 2wwq s MET 48 Ca -0.09 1.35 -0.17 0.00 -1.25 0.00 0.00 55.69 55.52 2wwq s MET 48 Cb -0.02 -1.96 0.10 0.00 2.84 0.00 0.00 34.83 35.79 2wwq s MET 48 CO 0.07 -1.22 -0.03 1.33 -0.65 0.00 0.00 175.02 174.52 2wwq n VAL 49 N -2.45 0.00 -0.07 10.11 0.24 -1.09 -4.88 118.33 120.19 2wwq n VAL 49 Ca 0.10 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2wwq n VAL 49 Cb 0.52 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2wwq n VAL 49 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2wwq n SER 50 N -0.96 1.02 -1.50 -1.34 7.64 -1.26 -5.04 113.62 112.19 2wwq n SER 50 Ca 0.03 -1.10 0.08 0.00 1.01 0.00 0.00 58.87 58.89 2wwq n SER 50 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2wwq n SER 50 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wwq n LYS 51 N -0.05 -3.71 -0.99 1.43 4.76 -1.26 -4.92 118.16 113.42 2wwq n LYS 51 Ca 0.00 2.96 0.00 0.00 -2.87 0.00 0.00 58.31 58.40 2wwq n LYS 51 Cb 0.04 -3.93 0.00 0.00 -1.84 0.00 0.00 35.03 29.31 2wwq n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wwq n GLY 52 N -3.45 0.67 0.00 0.72 0.00 -1.26 -4.85 105.19 97.02 2wwq n GLY 52 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2wwq n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wwq n ASP 53 N 1.43 0.00 -0.12 1.61 3.85 -1.26 -4.93 116.55 117.12 2wwq n ASP 53 Ca 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 54.79 53.99 2wwq n ASP 53 Cb 0.14 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.90 2wwq n ASP 53 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wwq h LEU 54 N 0.00 0.48 0.00 -2.12 5.85 -1.98 -2.62 115.31 114.92 2wwq h LEU 54 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2wwq h LEU 54 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2wwq h LEU 54 CO 0.00 0.49 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 2wwq n GLY 55 N -0.82 -0.56 0.24 3.75 0.00 -1.26 -2.27 105.19 104.27 2wwq n GLY 55 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2wwq n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwq n LEU 56 N -0.89 2.03 0.00 0.99 4.77 -1.01 -4.16 117.00 118.73 2wwq n LEU 56 Ca 0.10 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 2wwq n LEU 56 Cb 0.05 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2wwq n LEU 56 CO 0.08 0.49 0.26 1.33 -1.33 0.00 0.00 177.39 178.22 2wwq n VAL 57 N 0.06 0.08 0.49 4.08 0.24 -1.06 -3.50 118.33 118.72 2wwq n VAL 57 Ca 0.04 -0.52 0.05 0.00 -2.04 0.00 0.00 64.34 61.88 2wwq n VAL 57 Cb 0.25 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 2wwq n VAL 57 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2wwq n ILE 58 N -0.04 0.00 0.96 1.34 -5.35 -0.96 -3.10 119.36 112.20 2wwq n ILE 58 Ca 0.00 -0.35 0.11 0.00 -0.27 0.00 0.00 62.75 62.24 2wwq n ILE 58 Cb 0.03 1.10 0.03 0.00 -1.74 0.00 0.00 39.64 39.06 2wwq n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wwq n ALA 59 N -0.48 3.14 0.53 -1.28 0.00 -1.26 -1.83 120.51 119.34 2wwq n ALA 59 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 53.44 52.89 2wwq n ALA 59 Cb 0.21 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 2wwq n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq s LEU 61 N -2.21 0.60 0.00 0.00 1.43 -1.12 -0.97 118.68 116.42 2wwq s LEU 61 Ca 0.07 -2.12 0.22 0.00 -1.03 0.00 0.00 54.13 51.27 2wwq s LEU 61 Cb 0.09 0.01 1.08 0.00 0.03 0.00 0.00 46.19 47.40 2wwq s LEU 61 CO 0.40 -0.26 1.70 -0.81 0.23 0.00 0.00 176.35 177.61 2wwq n PRO 62 N 3.86 0.28 -3.88 1.29 -0.04 -0.76 -4.38 135.00 131.37 2wwq n PRO 62 Ca 0.15 0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 2wwq n PRO 62 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2wwq n PRO 62 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wwq s TYR 63 N -2.62 3.41 -2.00 0.54 2.02 -1.26 -5.10 117.35 112.34 2wwq s TYR 63 Ca 0.19 -2.14 0.15 0.00 -0.37 0.00 0.00 57.07 54.90 2wwq s TYR 63 Cb 0.14 -2.52 0.88 0.00 -0.40 0.00 0.00 41.96 40.07 2wwq s TYR 63 CO 0.34 -0.87 1.30 0.00 -1.57 0.00 0.00 175.55 174.75