#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh5 s SER 2 N 0.00 -0.49 0.61 1.61 1.04 -1.26 -5.14 113.70 110.07 1wh5 s SER 2 Ca 0.00 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1wh5 s SER 2 Cb 0.00 0.96 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1wh5 s SER 2 CO 0.00 -0.16 0.00 -1.20 0.98 0.00 0.00 173.24 172.86 1wh5 n SER 3 N 2.31 -8.54 0.00 7.02 7.64 -1.26 -4.84 113.62 115.94 1wh5 n SER 3 Ca -0.13 1.85 0.00 0.00 1.01 0.00 0.00 58.87 61.60 1wh5 n SER 3 Cb 0.56 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1wh5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh5 n GLY 4 N -2.98 -1.64 2.62 0.23 0.00 -1.26 -4.73 105.19 97.45 1wh5 n GLY 4 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1wh5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh5 s SER 5 N -2.25 3.12 -0.11 1.61 0.01 -1.26 -4.98 113.70 109.84 1wh5 s SER 5 Ca 0.00 -2.99 -0.01 0.00 1.31 0.00 0.00 55.95 54.26 1wh5 s SER 5 Cb 0.00 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1wh5 s SER 5 CO 0.00 -0.20 0.02 -1.20 0.41 0.00 0.00 173.24 172.27 1wh5 n SER 6 N 3.02 -6.68 0.00 2.44 7.64 -1.26 -4.35 113.62 114.43 1wh5 n SER 6 Ca 0.18 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wh5 n SER 6 Cb 0.39 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 1wh5 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh5 n GLY 7 N 1.29 2.28 3.03 0.23 0.00 -1.26 -4.89 105.19 105.88 1wh5 n GLY 7 Ca -0.03 0.40 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 1wh5 n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh5 n SER 8 N 6.88 -7.03 0.07 1.61 3.41 -1.26 -4.73 113.62 112.57 1wh5 n SER 8 Ca 0.00 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1wh5 n SER 8 Cb 0.00 -2.83 0.00 0.00 -0.26 0.00 0.00 64.21 61.12 1wh5 n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wh5 n SER 9 N 1.12 -1.34 -3.14 4.04 2.88 -1.26 -4.84 113.62 111.07 1wh5 n SER 9 Ca -0.00 0.56 0.01 0.00 -1.33 0.00 0.00 58.87 58.11 1wh5 n SER 9 Cb 0.33 1.54 -0.01 0.00 -0.75 0.00 0.00 64.21 65.33 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh5 s ALA 10 N -2.00 -2.70 0.49 -1.46 0.00 -1.26 -5.14 121.76 109.69 1wh5 s ALA 10 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1wh5 s ALA 10 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1wh5 s ALA 10 CO 0.00 -2.24 0.00 0.39 0.00 0.00 0.00 175.76 173.91 1wh5 n GLU 11 N 4.37 -2.94 -3.13 0.00 1.02 -1.26 -4.93 120.64 113.77 1wh5 n GLU 11 Ca 0.10 2.27 -0.07 0.00 -0.02 0.00 0.00 57.16 59.44 1wh5 n GLU 11 Cb 0.58 -3.49 -0.03 0.00 -0.02 0.00 0.00 31.44 28.48 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wh5 s ALA 12 N -3.47 -1.55 0.25 0.62 0.00 -1.26 -4.76 121.76 111.59 1wh5 s ALA 12 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1wh5 s ALA 12 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1wh5 s ALA 12 CO 0.00 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 173.98 1wh5 n GLY 13 N 3.80 -2.15 7.00 0.00 0.00 -1.26 -4.98 105.19 107.61 1wh5 n GLY 13 Ca 0.15 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1wh5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh5 n GLY 14 N -3.31 0.92 2.68 -0.02 0.00 -1.26 -4.97 105.19 99.23 1wh5 n GLY 14 Ca -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1wh5 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh5 n GLY 15 N 0.00 2.00 3.53 -0.02 0.00 -1.26 -5.09 105.19 104.35 1wh5 n GLY 15 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1wh5 n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh5 s ILE 16 N -2.61 3.92 -0.17 -0.61 1.01 -1.26 -4.93 121.20 116.55 1wh5 s ILE 16 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 1wh5 s ILE 16 Cb -0.02 -4.90 0.08 0.00 0.01 0.00 0.00 42.46 37.64 1wh5 s ILE 16 CO 0.14 -1.79 0.32 -0.60 0.00 0.00 0.00 174.94 173.01 1wh5 s ARG 17 N 5.14 0.23 -0.38 2.79 3.00 -1.26 -5.09 118.95 123.38 1wh5 s ARG 17 Ca 0.35 0.75 0.00 0.00 -1.00 0.00 0.00 55.73 55.83 1wh5 s ARG 17 Cb -0.08 -0.10 0.19 0.00 0.00 0.00 0.00 34.95 34.96 1wh5 s ARG 17 CO 0.08 -0.36 0.83 0.21 0.00 0.00 0.00 175.30 176.06 1wh5 s LYS 18 N 2.48 0.54 0.94 5.12 2.20 -1.26 -5.15 119.74 124.61 1wh5 s LYS 18 Ca 0.02 -0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.25 1wh5 s LYS 18 Cb -0.13 0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 36.12 1wh5 s LYS 18 CO -0.11 -0.77 -0.57 0.54 -0.36 0.00 0.00 175.35 174.08 1wh5 n ARG 19 N 3.97 -0.03 -3.34 4.03 1.74 -1.26 -4.95 116.66 116.82 1wh5 n ARG 19 Ca 0.09 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.91 1wh5 n ARG 19 Cb 0.60 -1.13 -0.09 0.00 -1.02 0.00 0.00 32.46 30.83 1wh5 n ARG 19 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1wh5 n HIS 20 N -2.54 -0.03 -2.84 -1.55 8.25 -1.26 -4.99 115.22 110.25 1wh5 n HIS 20 Ca 0.00 -3.56 -0.02 0.00 -0.26 0.00 0.00 57.72 53.89 1wh5 n HIS 20 Cb 0.55 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.53 1wh5 n HIS 20 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1wh5 s ARG 21 N -0.81 0.62 0.24 -0.41 6.06 -1.26 -5.16 118.95 118.23 1wh5 s ARG 21 Ca 0.34 -0.46 0.11 0.00 -2.50 0.00 0.00 55.73 53.22 1wh5 s ARG 21 Cb 0.10 0.01 -0.05 0.00 0.06 0.00 0.00 34.95 35.07 1wh5 s ARG 21 CO -0.14 -0.81 -0.19 0.95 -2.50 0.00 0.00 175.30 172.61 1wh5 s THR 22 N 1.33 2.59 -0.49 4.11 -4.23 -1.26 -5.08 115.64 112.61 1wh5 s THR 22 Ca 0.22 -2.17 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1wh5 s THR 22 Cb 0.03 -2.31 0.23 0.00 1.34 0.00 0.00 72.50 71.79 1wh5 s THR 22 CO -0.09 -0.27 0.84 0.29 -0.54 0.00 0.00 174.62 174.85 1wh5 n LYS 23 N -0.28 0.74 -2.39 3.99 4.76 -1.26 -5.12 118.16 118.61 1wh5 n LYS 23 Ca -0.08 -1.87 -0.43 0.00 -2.87 0.00 0.00 58.31 53.06 1wh5 n LYS 23 Cb 0.58 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 1wh5 n LYS 23 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1wh5 s PHE 24 N 0.60 2.64 0.66 2.13 0.08 -1.26 -5.00 117.98 117.84 1wh5 s PHE 24 Ca 0.32 0.85 -0.09 0.00 0.12 0.00 0.00 56.93 58.13 1wh5 s PHE 24 Cb 0.20 -3.85 0.02 0.00 -0.57 0.00 0.00 43.02 38.81 1wh5 s PHE 24 CO -0.22 -1.86 1.02 -0.08 -0.10 0.00 0.00 175.22 173.98 1wh5 s THR 25 N 4.33 3.47 0.36 0.64 -1.32 -1.26 -4.26 115.64 117.60 1wh5 s THR 25 Ca 0.58 0.24 0.28 0.00 -1.21 0.00 0.00 61.69 61.58 1wh5 s THR 25 Cb -0.18 -3.44 0.43 0.00 -1.51 0.00 0.00 72.50 67.80 1wh5 s THR 25 CO 0.22 -0.52 1.25 0.00 -2.21 0.00 0.00 174.62 173.36 1wh5 n ALA 26 N -2.84 1.15 -0.03 11.08 0.00 -1.26 0.22 120.51 128.83 1wh5 n ALA 26 Ca 0.06 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1wh5 n ALA 26 Cb 0.58 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1wh5 n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh5 n GLU 27 N -4.20 0.00 -0.22 0.00 2.13 -1.26 -1.18 120.64 115.91 1wh5 n GLU 27 Ca 0.33 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1wh5 n GLU 27 Cb 1.30 -1.24 0.12 0.00 0.27 0.00 0.00 31.44 31.89 1wh5 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wh5 h GLN 28 N 0.00 0.51 0.35 5.31 1.08 -0.87 1.37 115.11 122.86 1wh5 h GLN 28 Ca 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1wh5 h GLN 28 Cb 0.00 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1wh5 h GLN 28 CO 0.00 0.34 -0.49 -0.22 -0.95 0.00 0.00 178.83 177.51 1wh5 h LYS 29 N 0.53 -0.85 -0.10 1.46 3.64 0.25 0.83 116.57 122.33 1wh5 h LYS 29 Ca 0.32 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1wh5 h LYS 29 Cb 0.35 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1wh5 h LYS 29 CO -0.27 -0.57 0.05 0.93 -2.27 0.00 0.00 179.45 177.32 1wh5 h GLU 30 N -0.88 0.14 -0.82 1.90 5.08 -0.60 -0.05 114.58 119.34 1wh5 h GLU 30 Ca -0.03 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1wh5 h GLU 30 Cb 0.81 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.88 1wh5 h GLU 30 CO -0.14 0.18 -0.06 0.00 -1.00 0.00 0.00 179.01 177.99 1wh5 h ARG 31 N 0.05 0.05 -0.19 2.33 2.47 0.21 1.22 114.38 120.52 1wh5 h ARG 31 Ca 0.03 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1wh5 h ARG 31 Cb 0.09 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1wh5 h ARG 31 CO -0.00 0.03 -0.24 0.52 0.56 0.00 0.00 179.97 180.84 1wh5 h MET 32 N 0.05 0.49 -0.50 0.04 2.86 -0.55 -1.40 114.93 115.94 1wh5 h MET 32 Ca 0.44 -0.28 0.05 0.00 -2.06 0.00 0.00 59.70 57.85 1wh5 h MET 32 Cb 0.78 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 1wh5 h MET 32 CO -0.77 0.87 0.24 -0.07 1.06 0.00 0.00 176.91 178.23 1wh5 h LEU 33 N 0.15 0.33 -1.24 1.22 3.38 0.12 1.38 115.31 120.65 1wh5 h LEU 33 Ca 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1wh5 h LEU 33 Cb 0.80 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1wh5 h LEU 33 CO 0.06 0.23 -0.06 0.00 0.09 0.00 0.00 178.44 178.76 1wh5 h ALA 34 N 1.28 1.37 0.09 1.53 0.00 0.14 0.78 119.26 124.46 1wh5 h ALA 34 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wh5 h ALA 34 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wh5 h ALA 34 CO -0.17 0.43 -0.04 1.25 0.00 0.00 0.00 179.25 180.72 1wh5 h LEU 35 N 0.43 -0.10 -0.51 0.00 5.85 0.14 -2.18 115.31 118.94 1wh5 h LEU 35 Ca 0.09 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1wh5 h LEU 35 Cb 0.37 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1wh5 h LEU 35 CO 0.02 0.47 0.09 0.00 -0.34 0.00 0.00 178.44 178.67 1wh5 h ALA 36 N 0.03 0.56 0.00 1.25 0.00 0.19 1.49 119.26 122.79 1wh5 h ALA 36 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wh5 h ALA 36 Cb 0.56 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wh5 h ALA 36 CO 0.02 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.34 1wh5 n GLU 37 N -5.13 0.09 -0.14 0.00 1.02 0.25 0.19 120.64 116.92 1wh5 n GLU 37 Ca 0.06 0.23 -0.29 0.00 -0.02 0.00 0.00 57.16 57.13 1wh5 n GLU 37 Cb 0.25 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 1wh5 n GLU 37 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wh5 n ARG 38 N -1.40 0.59 0.09 3.49 0.63 0.30 -4.53 116.66 115.82 1wh5 n ARG 38 Ca 0.05 0.25 -0.11 0.00 -0.92 0.00 0.00 57.85 57.12 1wh5 n ARG 38 Cb 0.13 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.46 1wh5 n ARG 38 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1wh5 h ILE 39 N -0.94 1.54 0.00 5.15 3.07 0.18 -3.48 117.51 123.04 1wh5 h ILE 39 Ca -0.70 -2.97 0.00 0.00 1.55 0.00 0.00 64.86 62.74 1wh5 h ILE 39 Cb 1.64 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 40.92 1wh5 h ILE 39 CO -0.41 0.86 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 1wh5 n GLY 40 N 1.24 1.79 3.33 0.16 0.00 0.51 -4.41 105.19 107.81 1wh5 n GLY 40 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1wh5 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh5 n TRP 41 N -0.57 -2.16 -4.03 1.61 7.02 0.96 -4.96 117.44 115.31 1wh5 n TRP 41 Ca 0.00 0.66 -0.09 0.00 -1.02 0.00 0.00 57.50 57.05 1wh5 n TRP 41 Cb 0.00 -4.22 -0.11 0.00 -2.42 0.00 0.00 31.31 24.56 1wh5 n TRP 41 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1wh5 s ARG 42 N -6.02 0.44 -0.19 -0.99 3.52 -1.26 -4.98 118.95 109.47 1wh5 s ARG 42 Ca 0.43 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1wh5 s ARG 42 Cb -0.20 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.31 1wh5 s ARG 42 CO 0.53 -0.06 -0.09 0.42 -0.81 0.00 0.00 175.30 175.30 1wh5 s ILE 43 N -2.22 1.50 0.36 4.11 1.01 -1.26 -4.85 121.20 119.85 1wh5 s ILE 43 Ca -0.08 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.74 1wh5 s ILE 43 Cb -0.04 -1.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.76 1wh5 s ILE 43 CO -0.04 0.18 0.03 -1.10 0.00 0.00 0.00 174.94 174.01 1wh5 s GLN 44 N 1.46 1.79 0.09 2.79 -1.52 -1.26 -5.00 119.66 118.01 1wh5 s GLN 44 Ca -0.00 -2.00 0.13 0.00 -1.95 0.00 0.00 55.36 51.53 1wh5 s GLN 44 Cb -0.16 -1.24 0.57 0.00 -0.22 0.00 0.00 33.01 31.96 1wh5 s GLN 44 CO -0.08 -0.11 1.39 2.89 -0.25 0.00 0.00 175.29 179.13 1wh5 n ARG 45 N -0.82 0.05 -0.08 2.91 0.00 -1.26 -1.07 116.66 116.39 1wh5 n ARG 45 Ca -0.04 0.40 -0.15 0.00 -0.00 0.00 0.00 57.85 58.07 1wh5 n ARG 45 Cb 0.67 -1.62 -0.09 0.00 -0.00 0.00 0.00 32.46 31.41 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1wh5 h GLN 46 N 0.00 0.00 0.00 2.89 4.20 -2.02 -3.33 115.11 116.85 1wh5 h GLN 46 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wh5 h GLN 46 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1wh5 h GLN 46 CO 0.00 0.75 0.00 -0.44 -0.67 0.00 0.00 178.83 178.47 1wh5 h ASP 47 N -1.00 0.00 -0.99 1.46 3.32 -1.88 -3.17 116.42 114.16 1wh5 h ASP 47 Ca -0.17 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.04 1wh5 h ASP 47 Cb 0.98 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 1wh5 h ASP 47 CO -0.10 0.00 -0.36 -0.78 -1.72 0.00 0.00 179.24 176.28 1wh5 h ASP 48 N 0.00 -1.33 -0.83 6.45 3.58 -1.22 1.94 116.42 125.02 1wh5 h ASP 48 Ca 0.00 0.31 0.17 0.00 0.42 0.00 0.00 57.03 57.93 1wh5 h ASP 48 Cb 0.36 0.73 -0.11 0.00 1.72 0.00 0.00 39.33 42.03 1wh5 h ASP 48 CO 0.00 -0.30 0.36 -0.33 -2.88 0.00 0.00 179.24 176.09 1wh5 h GLU 49 N -0.00 0.45 -0.09 0.28 3.07 -1.78 0.66 114.58 117.16 1wh5 h GLU 49 Ca 0.37 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 59.03 1wh5 h GLU 49 Cb 0.62 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1wh5 h GLU 49 CO -0.99 0.30 -0.63 0.28 -1.40 0.00 0.00 179.01 176.56 1wh5 h VAL 50 N 0.46 1.35 0.00 3.13 2.07 0.18 -1.61 116.25 121.83 1wh5 h VAL 50 Ca 0.48 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1wh5 h VAL 50 Cb 0.78 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1wh5 h VAL 50 CO -0.44 0.59 0.00 -0.38 0.02 0.00 0.00 177.57 177.35 1wh5 n ILE 51 N -4.13 0.00 -0.28 4.57 2.08 0.54 0.19 119.36 122.33 1wh5 n ILE 51 Ca -0.09 1.45 0.10 0.00 0.56 0.00 0.00 62.75 64.78 1wh5 n ILE 51 Cb 0.67 -2.38 0.25 0.00 -0.75 0.00 0.00 39.64 37.43 1wh5 n ILE 51 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1wh5 h GLN 52 N 0.00 0.29 0.25 0.38 4.15 0.08 0.52 115.11 120.78 1wh5 h GLN 52 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1wh5 h GLN 52 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1wh5 h GLN 52 CO 0.00 0.19 -0.12 -0.09 -1.93 0.00 0.00 178.83 176.88 1wh5 h ARG 53 N 0.30 -0.32 -0.34 1.69 9.65 -1.08 -1.77 114.38 122.51 1wh5 h ARG 53 Ca 0.50 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.50 1wh5 h ARG 53 Cb 0.92 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1wh5 h ARG 53 CO -0.56 -0.20 0.34 0.35 2.80 0.00 0.00 179.97 182.71 1wh5 h PHE 54 N -0.36 0.00 0.00 2.20 3.04 0.41 1.46 116.94 123.69 1wh5 h PHE 54 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1wh5 h PHE 54 Cb 0.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1wh5 h PHE 54 CO -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.24 1wh5 h GLN 56 N 0.00 0.15 0.07 0.00 4.20 0.22 0.20 115.11 119.95 1wh5 h GLN 56 Ca 0.00 -0.26 -0.28 0.00 0.06 0.00 0.00 58.65 58.17 1wh5 h GLN 56 Cb 0.57 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1wh5 h GLN 56 CO 0.00 0.99 -1.43 1.05 -0.67 0.00 0.00 178.83 178.77 1wh5 h GLU 57 N 0.04 0.14 0.00 1.46 4.11 -1.23 -3.41 114.58 115.70 1wh5 h GLU 57 Ca -0.19 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1wh5 h GLU 57 Cb 1.96 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1wh5 h GLU 57 CO 0.14 0.97 -0.46 0.25 0.07 0.00 0.00 179.01 179.99 1wh5 n THR 58 N -3.35 0.84 0.00 -1.06 -2.24 -0.09 -5.03 114.28 103.34 1wh5 n THR 58 Ca -0.12 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1wh5 n THR 58 Cb 1.02 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1wh5 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh5 n GLY 59 N 1.56 0.93 3.77 3.38 0.00 0.70 -5.03 105.19 110.48 1wh5 n GLY 59 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1wh5 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh5 s VAL 60 N -2.00 3.49 0.35 1.61 1.01 -1.26 -4.99 120.40 118.62 1wh5 s VAL 60 Ca 0.00 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 1wh5 s VAL 60 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1wh5 s VAL 60 CO 0.00 0.22 1.06 -2.16 0.00 0.00 0.00 175.10 174.22 1wh5 s PRO 61 N -1.88 4.35 0.12 2.72 0.04 -1.26 -4.57 135.00 134.52 1wh5 s PRO 61 Ca 0.50 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 1wh5 s PRO 61 Cb -0.29 -2.79 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1wh5 s PRO 61 CO 0.37 -0.00 1.61 -0.09 0.04 0.00 0.00 177.00 178.92 1wh5 h ARG 62 N 3.01 -0.48 -1.26 4.56 2.43 -1.94 0.29 114.38 120.99 1wh5 h ARG 62 Ca -0.48 0.03 0.36 0.00 -0.81 0.00 0.00 59.98 59.09 1wh5 h ARG 62 Cb 1.21 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1wh5 h ARG 62 CO 0.64 -0.32 0.88 0.37 -1.51 0.00 0.00 179.97 180.03 1wh5 h GLN 63 N -0.50 0.09 0.04 0.20 4.15 -1.99 0.44 115.11 117.55 1wh5 h GLN 63 Ca 0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1wh5 h GLN 63 Cb 0.59 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1wh5 h GLN 63 CO -0.29 0.06 -0.02 0.28 -1.93 0.00 0.00 178.83 176.93 1wh5 h VAL 64 N 0.09 1.05 -0.01 2.39 2.07 -1.15 -2.06 116.25 118.64 1wh5 h VAL 64 Ca 0.64 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1wh5 h VAL 64 Cb 2.30 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1wh5 h VAL 64 CO -0.11 0.33 0.29 0.25 0.02 0.00 0.00 177.57 178.35 1wh5 h LEU 65 N -0.95 0.00 0.00 2.57 7.12 0.23 1.18 115.31 125.47 1wh5 h LEU 65 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1wh5 h LEU 65 Cb 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1wh5 h LEU 65 CO 0.01 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.49 1wh5 n LYS 66 N -2.93 0.00 -0.28 1.25 4.81 0.12 -3.71 118.16 117.44 1wh5 n LYS 66 Ca -0.02 0.34 0.19 0.00 -0.87 0.00 0.00 58.31 57.95 1wh5 n LYS 66 Cb 0.34 -0.83 0.49 0.00 0.02 0.00 0.00 35.03 35.06 1wh5 n LYS 66 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1wh5 h VAL 67 N 0.00 0.65 -0.60 3.15 2.07 -1.02 0.07 116.25 120.56 1wh5 h VAL 67 Ca 0.00 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.46 1wh5 h VAL 67 Cb 0.00 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 29.83 1wh5 h VAL 67 CO 0.00 0.08 -0.43 -0.25 0.02 0.00 0.00 177.57 176.99 1wh5 h TRP 68 N 0.44 -1.27 -0.42 1.57 7.01 0.13 1.56 115.95 124.97 1wh5 h TRP 68 Ca 0.51 0.08 0.07 0.00 2.11 0.00 0.00 58.89 61.66 1wh5 h TRP 68 Cb 1.22 0.64 -0.09 0.00 -2.10 0.00 0.00 29.16 28.83 1wh5 h TRP 68 CO -0.00 -0.42 -0.47 -0.07 -2.79 0.00 0.00 178.44 174.69 1wh5 h LEU 69 N -0.21 -1.57 -1.06 0.65 3.38 -1.05 0.86 115.31 116.31 1wh5 h LEU 69 Ca 0.19 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.46 1wh5 h LEU 69 Cb 0.56 0.67 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1wh5 h LEU 69 CO -0.70 -0.38 0.63 -0.74 0.09 0.00 0.00 178.44 177.34 1wh5 h HIS 70 N -0.34 1.15 0.00 1.13 2.76 -0.77 1.51 115.15 120.59 1wh5 h HIS 70 Ca 0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1wh5 h HIS 70 Cb 0.59 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 1wh5 h HIS 70 CO -0.66 0.58 -0.14 -0.91 -1.30 0.00 0.00 177.93 175.50 1wh5 h ASN 71 N 1.11 0.00 0.00 3.26 2.35 0.62 -3.35 115.58 119.57 1wh5 h ASN 71 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1wh5 h ASN 71 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1wh5 h ASN 71 CO -0.18 0.14 0.00 0.59 -1.65 0.00 0.00 177.43 176.33 1wh5 n ASN 72 N -4.05 0.00 -4.68 5.81 3.02 0.26 -4.90 115.26 110.72 1wh5 n ASN 72 Ca -0.02 0.01 -0.62 0.00 -0.03 0.00 0.00 54.58 53.92 1wh5 n ASN 72 Cb 0.22 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.25 1wh5 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wh5 n LYS 73 N -1.37 0.58 -2.32 3.52 2.85 0.48 -4.76 118.16 117.14 1wh5 n LYS 73 Ca 0.00 0.21 -0.35 0.00 -1.05 0.00 0.00 58.31 57.12 1wh5 n LYS 73 Cb 0.00 -1.82 -0.04 0.00 -0.65 0.00 0.00 35.03 32.52 1wh5 n LYS 73 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1wh5 s HIS 74 N 3.74 2.28 0.03 5.58 5.65 -1.26 -4.49 115.29 126.81 1wh5 s HIS 74 Ca 1.04 -0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.98 1wh5 s HIS 74 Cb -1.27 -4.39 0.00 0.00 -1.18 0.00 0.00 32.58 25.74 1wh5 s HIS 74 CO 0.72 -1.68 0.00 0.45 -0.65 0.00 0.00 174.74 173.57 1wh5 n SER 75 N 11.33 -7.50 -3.53 9.88 2.88 -1.26 -5.03 113.62 120.40 1wh5 n SER 75 Ca 0.42 1.33 -0.29 0.00 -1.33 0.00 0.00 58.87 58.99 1wh5 n SER 75 Cb 0.48 -4.07 -0.13 0.00 -0.75 0.00 0.00 64.21 59.74 1wh5 n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh5 s GLY 76 N -0.43 0.83 -0.36 0.46 0.00 -1.26 -5.10 107.32 101.45 1wh5 s GLY 76 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 1wh5 s GLY 76 CO 0.00 2.00 1.38 2.56 0.00 0.00 0.00 173.10 179.04 1wh5 s PRO 77 N 1.37 3.71 -0.12 2.90 0.04 -1.26 -4.89 135.00 136.76 1wh5 s PRO 77 Ca 0.14 1.09 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 1wh5 s PRO 77 Cb -0.21 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.34 1wh5 s PRO 77 CO -0.13 -1.39 -0.10 0.66 0.04 0.00 0.00 177.00 176.08 1wh5 h SER 78 N 10.19 0.00 -3.29 6.66 4.64 -1.99 -3.46 113.55 126.30 1wh5 h SER 78 Ca -0.27 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.43 1wh5 h SER 78 Cb 1.11 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.86 1wh5 h SER 78 CO 1.06 0.61 -0.85 -0.94 -0.87 0.00 0.00 176.83 175.84 1wh5 s SER 79 N -5.49 2.64 0.00 4.97 1.04 -1.26 -5.28 113.70 110.32 1wh5 s SER 79 Ca -0.09 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1wh5 s SER 79 Cb 0.01 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.93 1wh5 s SER 79 CO 0.13 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.02