#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 1.00 -0.03 0.00 -2.85 -1.26 -5.03 119.74 111.58 2wwq s LYS 2 Ca 0.00 -0.30 0.02 0.00 -1.00 0.00 0.00 55.97 54.69 2wwq s LYS 2 Cb 0.00 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 2wwq s LYS 2 CO 0.00 -0.43 -0.05 0.99 0.10 0.00 0.00 175.35 175.96 2wwq s THR 3 N -3.11 3.77 -0.03 3.79 2.01 -1.26 -1.64 115.64 119.16 2wwq s THR 3 Ca 0.02 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2wwq s THR 3 Cb -0.01 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.89 2wwq s THR 3 CO -0.09 0.47 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.66 2wwq s ILE 4 N -0.94 1.18 -0.25 1.82 2.07 -0.87 -5.00 121.20 119.20 2wwq s ILE 4 Ca 0.16 -0.60 -0.08 0.00 -1.41 0.00 0.00 60.65 58.72 2wwq s ILE 4 Cb -0.11 -1.01 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 2wwq s ILE 4 CO 0.06 0.34 0.08 -0.54 -1.91 0.00 0.00 174.94 172.97 2wwq s LYS 5 N -0.04 3.66 0.16 3.50 3.01 -1.26 -2.87 119.74 125.90 2wwq s LYS 5 Ca -0.01 -0.48 0.09 0.00 -1.01 0.00 0.00 55.97 54.56 2wwq s LYS 5 Cb -0.09 -3.36 -0.04 0.00 -1.01 0.00 0.00 37.83 33.33 2wwq s LYS 5 CO 0.01 -0.20 -0.11 0.96 0.51 0.00 0.00 175.35 176.52 2wwq s ILE 6 N 1.63 3.15 0.03 2.17 -4.36 -1.07 -4.56 121.20 118.19 2wwq s ILE 6 Ca 0.06 -1.58 -0.02 0.00 -0.26 0.00 0.00 60.65 58.86 2wwq s ILE 6 Cb -0.15 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2wwq s ILE 6 CO 0.04 -0.04 -0.00 -0.89 0.24 0.00 0.00 174.94 174.29 2wwq s THR 7 N -1.54 0.15 -0.01 8.37 2.01 -1.26 -2.87 115.64 120.49 2wwq s THR 7 Ca 0.23 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 2wwq s THR 7 Cb -0.09 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 2wwq s THR 7 CO 0.14 -0.70 -0.03 1.67 -0.69 0.00 0.00 174.62 175.01 2wwq n GLN 8 N 0.88 0.04 -3.67 4.92 7.27 -0.36 -2.93 117.38 123.54 2wwq n GLN 8 Ca -0.19 0.02 -0.21 0.00 0.07 0.00 0.00 57.00 56.68 2wwq n GLN 8 Cb 0.58 -0.48 0.04 0.00 2.41 0.00 0.00 30.24 32.79 2wwq n GLN 8 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2wwq n THR 9 N -2.66 -4.46 0.00 1.69 -2.24 -0.60 -4.54 114.28 101.46 2wwq n THR 9 Ca -0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2wwq n THR 9 Cb 0.04 -3.93 0.00 0.00 -2.10 0.00 0.00 70.33 64.33 2wwq n THR 9 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wwq n ARG 10 N -4.32 0.00 -3.71 -0.78 3.00 -1.26 -5.06 116.66 104.53 2wwq n ARG 10 Ca -0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.50 2wwq n ARG 10 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.08 2wwq n ARG 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2wwq s SER 11 N 1.49 -0.30 0.00 6.15 0.15 -1.26 -4.96 113.70 114.96 2wwq s SER 11 Ca 0.00 -0.43 0.13 0.00 0.70 0.00 0.00 55.95 56.35 2wwq s SER 11 Cb 0.00 0.59 -0.07 0.00 -1.71 0.00 0.00 66.02 64.83 2wwq s SER 11 CO 0.00 -1.07 0.63 0.00 1.20 0.00 0.00 173.24 174.00 2wwq n ALA 12 N -0.36 3.33 -1.85 5.45 0.00 -1.26 -4.84 120.51 120.99 2wwq n ALA 12 Ca -0.10 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 2wwq n ALA 12 Cb 0.62 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2wwq n ALA 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wwq s ILE 13 N -1.92 2.55 0.00 0.00 1.01 -1.26 -2.53 121.20 119.05 2wwq s ILE 13 Ca 0.08 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2wwq s ILE 13 Cb 0.10 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2wwq s ILE 13 CO 0.42 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2wwq n GLY 14 N 2.02 0.80 3.98 6.18 0.00 -1.26 -5.04 105.19 111.87 2wwq n GLY 14 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2wwq n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwq s ARG 15 N -0.25 2.85 0.85 1.61 1.81 -1.05 -5.09 118.95 119.68 2wwq s ARG 15 Ca 0.00 -0.92 -0.11 0.00 -1.72 0.00 0.00 55.73 52.97 2wwq s ARG 15 Cb 0.00 -2.66 0.10 0.00 -0.45 0.00 0.00 34.95 31.94 2wwq s ARG 15 CO 0.00 -0.32 1.09 -0.51 -0.68 0.00 0.00 175.30 174.88 2wwq s LEU 16 N -4.47 2.48 0.24 2.53 1.02 -1.26 -4.97 118.68 114.25 2wwq s LEU 16 Ca 0.52 1.48 -0.07 0.00 0.02 0.00 0.00 54.13 56.07 2wwq s LEU 16 Cb -0.10 -4.00 0.22 0.00 0.02 0.00 0.00 46.19 42.33 2wwq s LEU 16 CO 0.35 -2.33 1.90 -0.65 0.02 0.00 0.00 176.35 175.64 2wwq h PRO 17 N -1.34 1.22 -1.47 1.29 0.11 -1.98 -3.18 132.00 126.66 2wwq h PRO 17 Ca -0.48 -0.08 -0.15 0.00 0.11 0.00 0.00 66.00 65.40 2wwq h PRO 17 Cb 1.27 -0.27 -0.07 0.00 0.11 0.00 0.00 31.00 32.04 2wwq h PRO 17 CO 0.56 0.82 0.19 1.63 -0.21 0.00 0.00 178.00 180.99 2wwq n LYS 18 N -4.43 1.37 0.10 1.05 5.02 -1.26 -3.54 118.16 116.47 2wwq n LYS 18 Ca 0.10 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 2wwq n LYS 18 Cb 0.02 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2wwq n LYS 18 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2wwq n HIS 19 N 0.60 -1.44 0.09 2.13 8.25 -1.20 -4.52 115.22 119.13 2wwq n HIS 19 Ca 0.15 0.25 0.04 0.00 -0.26 0.00 0.00 57.72 57.90 2wwq n HIS 19 Cb 0.63 0.36 0.19 0.00 1.12 0.00 0.00 29.99 32.30 2wwq n HIS 19 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2wwq n LYS 20 N -3.40 0.04 -0.05 -0.41 2.85 -1.24 -0.71 118.16 115.24 2wwq n LYS 20 Ca 0.00 0.52 -0.21 0.00 -1.05 0.00 0.00 58.31 57.56 2wwq n LYS 20 Cb 0.02 -1.64 -0.13 0.00 -0.65 0.00 0.00 35.03 32.64 2wwq n LYS 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wwq h ALA 21 N 2.04 0.29 -0.47 0.58 0.00 -1.85 -3.20 119.26 116.66 2wwq h ALA 21 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 54.91 53.70 2wwq h ALA 21 Cb 0.03 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2wwq h ALA 21 CO 0.00 0.89 0.28 1.15 0.00 0.00 0.00 179.25 181.56 2wwq h THR 22 N -0.57 1.05 -0.28 0.00 2.02 -1.32 -1.09 112.91 112.72 2wwq h THR 22 Ca -0.36 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.69 2wwq h THR 22 Cb 1.59 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 2wwq h THR 22 CO -0.07 0.10 -0.07 0.25 0.37 0.00 0.00 175.52 176.10 2wwq h LEU 23 N 0.55 -0.25 -0.35 2.58 5.85 -1.09 -1.87 115.31 120.73 2wwq h LEU 23 Ca 0.19 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2wwq h LEU 23 Cb 0.02 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2wwq h LEU 23 CO -0.09 -0.09 0.09 0.25 -0.34 0.00 0.00 178.44 178.26 2wwq h LEU 24 N 0.00 0.05 -1.86 2.25 5.85 -1.45 -0.29 115.31 119.86 2wwq h LEU 24 Ca 0.13 0.05 0.22 0.00 0.84 0.00 0.00 57.88 59.12 2wwq h LEU 24 Cb 0.20 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2wwq h LEU 24 CO -0.28 0.06 0.57 1.23 -0.34 0.00 0.00 178.44 179.68 2wwq h GLY 25 N 0.21 0.24 0.15 3.75 0.00 -0.46 -2.26 103.07 104.70 2wwq h GLY 25 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2wwq h GLY 25 CO -0.20 0.00 -1.10 1.04 0.00 0.00 0.00 176.54 176.28 2wwq n LEU 26 N -4.36 0.77 0.00 3.11 4.77 -0.17 -4.94 117.00 116.19 2wwq n LEU 26 Ca 0.17 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2wwq n LEU 26 Cb 0.80 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2wwq n LEU 26 CO 0.36 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2wwq n GLY 27 N 1.45 1.80 3.64 -0.72 0.00 -0.85 -4.81 105.19 105.70 2wwq n GLY 27 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wwq n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwq s LEU 28 N 0.00 3.41 0.00 0.99 1.43 -1.00 -4.73 118.68 118.78 2wwq s LEU 28 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2wwq s LEU 28 Cb 0.00 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2wwq s LEU 28 CO 0.00 0.36 0.00 -2.11 0.23 0.00 0.00 176.35 174.83 2wwq n ARG 29 N 2.06 0.00 -3.78 1.70 1.85 -1.26 -3.67 116.66 113.56 2wwq n ARG 29 Ca -0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.54 2wwq n ARG 29 Cb 0.53 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.80 2wwq n ARG 29 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2wwq s ARG 30 N 0.00 0.07 0.50 2.89 0.52 -1.26 -5.07 118.95 116.59 2wwq s ARG 30 Ca 0.00 0.26 0.26 0.00 -0.52 0.00 0.00 55.73 55.73 2wwq s ARG 30 Cb 0.00 -0.13 1.30 0.00 0.52 0.00 0.00 34.95 36.64 2wwq s ARG 30 CO 0.00 -0.13 2.01 -0.84 0.02 0.00 0.00 175.30 176.36 2wwq h ILE 31 N 5.83 0.60 0.00 1.52 3.07 -1.96 -3.22 117.51 123.35 2wwq h ILE 31 Ca -0.39 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.33 2wwq h ILE 31 Cb 1.15 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2wwq h ILE 31 CO 0.44 0.15 -1.04 0.61 -1.05 0.00 0.00 178.15 177.26 2wwq n GLY 32 N -0.50 -0.29 3.77 0.16 0.00 -1.26 -1.23 105.19 105.84 2wwq n GLY 32 Ca -0.01 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2wwq n GLY 32 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wwq n HIS 33 N -1.59 2.97 -4.92 1.61 -0.00 -1.22 -4.98 115.22 107.09 2wwq n HIS 33 Ca -0.00 0.35 -0.32 0.00 -0.00 0.00 0.00 57.72 57.75 2wwq n HIS 33 Cb 0.24 -2.57 -0.14 0.00 -0.00 0.00 0.00 29.99 27.52 2wwq n HIS 33 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2wwq s THR 34 N -0.62 2.77 0.04 3.57 2.01 -1.26 -4.64 115.64 117.50 2wwq s THR 34 Ca 0.58 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 2wwq s THR 34 Cb -0.48 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 2wwq s THR 34 CO 0.57 0.52 0.00 0.54 -0.69 0.00 0.00 174.62 175.56 2wwq s VAL 35 N -0.76 0.17 -0.03 3.82 0.11 -1.14 -5.05 120.40 117.53 2wwq s VAL 35 Ca 0.12 -1.39 0.02 0.00 -2.93 0.00 0.00 61.98 57.79 2wwq s VAL 35 Cb -0.10 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 2wwq s VAL 35 CO 0.01 -0.77 -0.06 -1.61 -3.33 0.00 0.00 175.10 169.35 2wwq s GLU 36 N -2.96 0.75 0.09 1.54 2.02 -1.26 -2.59 118.70 116.28 2wwq s GLU 36 Ca -0.02 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2wwq s GLU 36 Cb 0.01 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 2wwq s GLU 36 CO -0.06 0.02 -0.06 1.03 0.02 0.00 0.00 175.26 176.21 2wwq s ARG 37 N 0.46 0.77 -0.12 1.61 1.81 -1.14 -4.97 118.95 117.38 2wwq s ARG 37 Ca -0.06 -1.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.68 2wwq s ARG 37 Cb -0.10 -0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.24 2wwq s ARG 37 CO 0.00 -0.03 -0.13 -2.00 -0.68 0.00 0.00 175.30 172.47 2wwq s GLU 38 N -3.68 3.29 0.34 3.54 2.56 -1.26 -2.05 118.70 121.44 2wwq s GLU 38 Ca 0.09 -0.67 -0.29 0.00 0.00 0.00 0.00 54.97 54.10 2wwq s GLU 38 Cb 0.05 -2.62 -0.11 0.00 2.00 0.00 0.00 34.13 33.45 2wwq s GLU 38 CO -0.05 0.27 1.40 -0.51 -0.56 0.00 0.00 175.26 175.81 2wwq s ASP 39 N 0.21 6.58 0.00 -1.70 -0.00 -0.65 -4.98 116.67 116.12 2wwq s ASP 39 Ca -0.08 2.84 -0.16 0.00 -0.00 0.00 0.00 52.55 55.15 2wwq s ASP 39 Cb -0.15 -2.65 0.03 0.00 -0.00 0.00 0.00 42.92 40.14 2wwq s ASP 39 CO 0.05 -0.70 0.36 0.42 -0.00 0.00 0.00 175.17 175.30 2wwq s THR 40 N -0.98 0.06 -0.05 -1.27 -4.23 -1.26 -4.79 115.64 103.12 2wwq s THR 40 Ca 0.52 -0.48 0.30 0.00 -1.18 0.00 0.00 61.69 60.85 2wwq s THR 40 Cb -0.43 -0.77 0.33 0.00 1.34 0.00 0.00 72.50 72.96 2wwq s THR 40 CO 0.56 -0.26 1.91 -0.65 -0.54 0.00 0.00 174.62 175.63 2wwq h PRO 41 N 3.51 0.00 0.75 3.99 0.11 -1.99 -2.94 132.00 135.44 2wwq h PRO 41 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2wwq h PRO 41 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wwq h PRO 41 CO 0.42 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 177.85 2wwq h ALA 42 N 2.09 -1.07 0.00 -0.75 0.00 -1.99 -3.07 119.26 114.47 2wwq h ALA 42 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wwq h ALA 42 Cb 0.29 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wwq h ALA 42 CO 0.00 -1.00 0.00 0.44 0.00 0.00 0.00 179.25 178.69 2wwq n ILE 43 N -5.25 0.50 0.52 0.00 -5.35 -1.12 -1.08 119.36 107.59 2wwq n ILE 43 Ca -0.13 0.13 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 2wwq n ILE 43 Cb 0.40 -0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 37.33 2wwq n ILE 43 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2wwq n ARG 44 N -1.23 0.31 0.07 6.28 5.12 -1.17 -3.21 116.66 122.83 2wwq n ARG 44 Ca 0.07 -0.06 -0.23 0.00 -1.93 0.00 0.00 57.85 55.71 2wwq n ARG 44 Cb 0.10 -1.55 -0.15 0.00 -1.16 0.00 0.00 32.46 29.71 2wwq n ARG 44 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wwq h GLY 45 N 4.52 0.44 0.93 -0.13 0.00 -1.00 -3.18 103.07 104.64 2wwq h GLY 45 Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.20 2wwq h GLY 45 CO 0.00 0.98 -0.08 -0.33 0.00 0.00 0.00 176.54 177.11 2wwq h MET 46 N 0.06 -0.22 -1.05 4.80 2.86 -1.50 -2.81 114.93 117.07 2wwq h MET 46 Ca -0.34 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 57.59 2wwq h MET 46 Cb 2.06 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 33.69 2wwq h MET 46 CO 0.17 -0.08 0.69 0.82 1.06 0.00 0.00 176.91 179.56 2wwq h ILE 47 N -0.30 0.51 -0.12 -1.22 2.04 -1.63 -2.95 117.51 113.84 2wwq h ILE 47 Ca -0.02 -0.11 -0.23 0.00 1.00 0.00 0.00 64.86 65.49 2wwq h ILE 47 Cb 0.24 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2wwq h ILE 47 CO 0.04 0.06 -0.84 0.78 0.00 0.00 0.00 178.15 178.19 2wwq h ASN 48 N 0.33 0.92 0.02 1.72 2.35 -1.47 -2.90 115.58 116.55 2wwq h ASN 48 Ca 0.58 -0.63 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2wwq h ASN 48 Cb 1.61 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 2wwq h ASN 48 CO -0.25 1.43 -0.02 0.00 -1.65 0.00 0.00 177.43 176.94 2wwq h ALA 49 N 0.54 1.93 -0.81 -0.83 0.00 -1.59 -3.33 119.26 115.16 2wwq h ALA 49 Ca -0.07 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.41 2wwq h ALA 49 Cb 1.47 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.84 2wwq h ALA 49 CO 0.17 0.03 -0.98 1.33 0.00 0.00 0.00 179.25 179.80 2wwq n VAL 50 N -4.46 1.78 -0.24 0.00 0.24 -1.11 -4.86 118.33 109.67 2wwq n VAL 50 Ca -0.03 -3.67 -0.03 0.00 -2.04 0.00 0.00 64.34 58.57 2wwq n VAL 50 Cb 0.11 0.03 0.15 0.00 -1.47 0.00 0.00 33.84 32.65 2wwq n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2wwq h SER 51 N 2.55 0.96 0.23 -1.34 4.64 -1.64 -1.34 113.55 117.62 2wwq h SER 51 Ca 0.09 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2wwq h SER 51 Cb 1.28 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2wwq h SER 51 CO 0.53 0.82 0.00 2.22 -0.87 0.00 0.00 176.83 179.53 2wwq n PHE 52 N -4.32 0.00 -0.69 4.77 -1.74 -1.26 -2.44 117.46 111.78 2wwq n PHE 52 Ca 0.07 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 57.03 2wwq n PHE 52 Cb 0.14 -0.26 0.18 0.00 1.52 0.00 0.00 39.48 41.07 2wwq n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 2wwq n MET 53 N -1.26 2.61 -4.16 3.97 2.81 -0.51 -4.75 117.12 115.84 2wwq n MET 53 Ca 0.07 -2.44 -0.16 0.00 -1.81 0.00 0.00 57.70 53.36 2wwq n MET 53 Cb 0.10 -1.54 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 2wwq n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wwq s VAL 54 N -2.18 0.00 -0.10 2.03 -7.23 -1.02 -3.91 120.40 107.99 2wwq s VAL 54 Ca 0.31 -1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 2wwq s VAL 54 Cb 0.24 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.66 2wwq s VAL 54 CO 0.08 0.00 0.07 -0.54 -0.31 0.00 0.00 175.10 174.40 2wwq s LYS 55 N -3.34 0.04 0.09 4.82 -0.14 -1.15 -4.72 119.74 115.34 2wwq s LYS 55 Ca 0.34 0.13 -0.27 0.00 -1.36 0.00 0.00 55.97 54.81 2wwq s LYS 55 Cb 0.01 -1.18 -0.06 0.00 -1.68 0.00 0.00 37.83 34.93 2wwq s LYS 55 CO 0.21 -0.49 0.86 0.14 -0.76 0.00 0.00 175.35 175.31 2wwq s VAL 56 N 2.13 4.59 -0.31 3.17 -7.23 -1.26 -3.99 120.40 117.51 2wwq s VAL 56 Ca 0.03 1.85 0.03 0.00 -1.81 0.00 0.00 61.98 62.08 2wwq s VAL 56 Cb -0.14 -4.22 0.08 0.00 0.56 0.00 0.00 36.38 32.67 2wwq s VAL 56 CO -0.06 0.35 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.47 2wwq s GLU 57 N -0.11 1.80 0.00 4.82 0.41 -1.26 -5.05 118.70 119.31 2wwq s GLU 57 Ca 0.42 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 2wwq s GLU 57 Cb -0.22 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 2wwq s GLU 57 CO 0.26 -0.80 0.29 0.39 -0.49 0.00 0.00 175.26 174.91