#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh5 n SER 2 N 0.00 -1.29 -0.08 1.61 7.64 -1.26 -5.00 113.62 115.24 1wh5 n SER 2 Ca 0.00 0.55 -0.08 0.00 1.01 0.00 0.00 58.87 60.35 1wh5 n SER 2 Cb 0.00 1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 64.53 1wh5 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wh5 n SER 3 N -3.36 1.84 0.00 6.43 3.41 -1.26 -5.07 113.62 115.62 1wh5 n SER 3 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1wh5 n SER 3 Cb 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1wh5 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh5 n GLY 4 N 1.55 2.17 0.44 5.00 0.00 -1.26 -5.04 105.19 108.05 1wh5 n GLY 4 Ca -0.13 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1wh5 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wh5 h SER 5 N 0.00 -1.45 -4.06 1.61 0.87 -2.00 -3.41 113.55 105.11 1wh5 h SER 5 Ca 0.00 0.17 -0.69 0.00 -1.23 0.00 0.00 61.79 60.04 1wh5 h SER 5 Cb 0.00 0.56 -0.23 0.00 -0.44 0.00 0.00 62.40 62.28 1wh5 h SER 5 CO 0.00 -0.50 -0.82 -0.44 -0.53 0.00 0.00 176.83 174.55 1wh5 s SER 6 N -4.76 3.69 -0.26 6.23 0.01 -1.26 -5.12 113.70 112.23 1wh5 s SER 6 Ca -0.16 -0.43 -0.12 0.00 1.31 0.00 0.00 55.95 56.55 1wh5 s SER 6 Cb 0.08 -0.57 0.09 0.00 0.21 0.00 0.00 66.02 65.82 1wh5 s SER 6 CO 0.62 0.27 0.60 -0.83 0.41 0.00 0.00 173.24 174.32 1wh5 s GLY 7 N -1.29 -0.59 -0.06 3.44 0.00 -1.26 -5.16 107.32 102.40 1wh5 s GLY 7 Ca 0.14 2.16 0.06 0.00 0.00 0.00 0.00 44.72 47.07 1wh5 s GLY 7 CO 0.04 2.50 -0.24 -0.56 0.00 0.00 0.00 173.10 174.83 1wh5 s SER 8 N 2.10 3.00 -0.17 1.64 0.01 -1.26 -5.04 113.70 113.98 1wh5 s SER 8 Ca -0.08 -0.50 -0.14 0.00 1.31 0.00 0.00 55.95 56.54 1wh5 s SER 8 Cb -0.08 -0.88 -0.06 0.00 0.21 0.00 0.00 66.02 65.21 1wh5 s SER 8 CO -0.18 0.23 -0.24 -1.20 0.41 0.00 0.00 173.24 172.26 1wh5 n SER 9 N 3.02 1.88 -2.04 2.44 7.64 -1.26 -5.10 113.62 120.20 1wh5 n SER 9 Ca -0.18 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wh5 n SER 9 Cb 0.52 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh5 n ALA 10 N -4.02 -2.17 -1.29 -0.43 0.00 -1.26 -4.95 120.51 106.39 1wh5 n ALA 10 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1wh5 n ALA 10 Cb 0.45 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1wh5 n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh5 n GLU 11 N 1.60 -3.69 -0.70 0.00 4.07 -1.26 -4.90 120.64 115.76 1wh5 n GLU 11 Ca 0.00 2.73 -0.31 0.00 -0.06 0.00 0.00 57.16 59.52 1wh5 n GLU 11 Cb 0.00 -3.06 0.16 0.00 -0.06 0.00 0.00 31.44 28.48 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wh5 n ALA 12 N -0.66 -1.54 0.00 4.31 0.00 -1.26 -5.00 120.51 116.36 1wh5 n ALA 12 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1wh5 n ALA 12 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1wh5 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wh5 n GLY 13 N 0.71 2.53 0.00 0.00 0.00 -1.26 -5.09 105.19 102.09 1wh5 n GLY 13 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.74 0.00 -0.02 0.00 -1.26 -5.11 105.19 100.53 1wh5 n GLY 14 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 2.17 3.11 -0.02 0.00 -1.26 -5.09 105.19 104.10 1wh5 n GLY 15 Ca 0.00 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1wh5 n GLY 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wh5 s ILE 16 N -1.74 2.11 -0.00 -0.61 1.10 -1.26 -5.10 121.20 115.70 1wh5 s ILE 16 Ca 0.00 -1.10 0.00 0.00 -0.51 0.00 0.00 60.65 59.04 1wh5 s ILE 16 Cb 0.00 -1.97 0.00 0.00 0.15 0.00 0.00 42.46 40.64 1wh5 s ILE 16 CO 0.00 0.40 -0.01 -0.13 -2.11 0.00 0.00 174.94 173.10 1wh5 s ARG 17 N 1.25 0.07 0.59 3.50 1.81 -1.26 -5.15 118.95 119.76 1wh5 s ARG 17 Ca 0.02 -0.02 -0.16 0.00 -1.72 0.00 0.00 55.73 53.85 1wh5 s ARG 17 Cb -0.15 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 1wh5 s ARG 17 CO -0.11 0.01 1.06 0.15 -0.68 0.00 0.00 175.30 175.73 1wh5 s LYS 18 N 0.02 3.32 0.14 3.54 1.02 -1.26 -4.95 119.74 121.57 1wh5 s LYS 18 Ca -0.00 1.22 -0.28 0.00 0.02 0.00 0.00 55.97 56.92 1wh5 s LYS 18 Cb -0.01 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1wh5 s LYS 18 CO -0.00 -0.81 1.57 0.00 -0.92 0.00 0.00 175.35 175.19 1wh5 h ARG 19 N 0.46 -0.37 0.00 1.68 3.08 -2.03 -3.42 114.38 113.78 1wh5 h ARG 19 Ca -0.47 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1wh5 h ARG 19 Cb 1.22 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1wh5 h ARG 19 CO 0.57 -0.25 0.00 0.72 -1.07 0.00 0.00 179.97 179.95 1wh5 n HIS 20 N -5.42 -1.20 -3.62 3.04 8.25 -1.26 -5.16 115.22 109.86 1wh5 n HIS 20 Ca -0.02 0.21 -0.03 0.00 -0.26 0.00 0.00 57.72 57.62 1wh5 n HIS 20 Cb 0.35 0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.86 1wh5 n HIS 20 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1wh5 s ARG 21 N -1.59 0.18 0.23 -0.41 1.70 -1.26 -5.18 118.95 112.62 1wh5 s ARG 21 Ca 0.00 -0.05 0.09 0.00 -0.47 0.00 0.00 55.73 55.30 1wh5 s ARG 21 Cb 0.00 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 1wh5 s ARG 21 CO 0.00 -0.08 -0.02 0.95 -1.08 0.00 0.00 175.30 175.08 1wh5 s THR 22 N -2.02 3.48 -0.46 4.99 -4.23 -1.26 -5.08 115.64 111.06 1wh5 s THR 22 Ca 0.10 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 1wh5 s THR 22 Cb -0.01 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1wh5 s THR 22 CO -0.04 -0.26 0.77 0.29 -0.54 0.00 0.00 174.62 174.84 1wh5 n LYS 23 N -0.54 0.73 -2.30 3.99 4.76 -1.26 -5.11 118.16 118.43 1wh5 n LYS 23 Ca -0.08 -2.16 -0.43 0.00 -2.87 0.00 0.00 58.31 52.77 1wh5 n LYS 23 Cb 0.57 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 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 0.22 2.48 0.66 2.13 0.08 -1.26 -4.99 117.98 117.30 1wh5 s PHE 24 Ca 0.33 0.75 -0.09 0.00 0.12 0.00 0.00 56.93 58.04 1wh5 s PHE 24 Cb 0.20 -3.88 0.02 0.00 -0.57 0.00 0.00 43.02 38.78 1wh5 s PHE 24 CO -0.20 -2.21 1.01 -0.08 -0.10 0.00 0.00 175.22 173.64 1wh5 s THR 25 N 4.52 3.44 0.32 0.64 -1.32 -1.26 -4.26 115.64 117.72 1wh5 s THR 25 Ca 0.62 0.22 0.22 0.00 -1.21 0.00 0.00 61.69 61.54 1wh5 s THR 25 Cb -0.21 -3.42 0.35 0.00 -1.51 0.00 0.00 72.50 67.71 1wh5 s THR 25 CO 0.24 -0.50 1.18 0.00 -2.21 0.00 0.00 174.62 173.33 1wh5 n ALA 26 N -2.83 0.97 -0.14 11.08 0.00 -1.26 0.22 120.51 128.56 1wh5 n ALA 26 Ca 0.06 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1wh5 n ALA 26 Cb 0.58 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.32 0.00 -0.24 0.00 2.13 -1.26 -1.01 120.64 115.94 1wh5 n GLU 27 Ca 0.30 0.43 0.03 0.00 0.66 0.00 0.00 57.16 58.58 1wh5 n GLU 27 Cb 1.14 -1.21 0.15 0.00 0.27 0.00 0.00 31.44 31.79 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 0.48 0.34 5.31 1.08 -0.92 1.40 115.11 122.80 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 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1wh5 h GLN 28 CO 0.00 0.31 -0.44 -0.22 -0.95 0.00 0.00 178.83 177.53 1wh5 h LYS 29 N 0.49 -0.80 -0.60 1.46 3.64 0.26 0.38 116.57 121.40 1wh5 h LYS 29 Ca 0.37 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1wh5 h LYS 29 Cb 0.49 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1wh5 h LYS 29 CO -0.34 -0.53 0.30 0.93 -2.27 0.00 0.00 179.45 177.53 1wh5 h GLU 30 N -0.83 0.86 -0.41 1.90 5.08 -0.30 -0.69 114.58 120.19 1wh5 h GLU 30 Ca -0.03 -0.12 0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1wh5 h GLU 30 Cb 0.76 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 1wh5 h GLU 30 CO -0.12 0.69 -0.34 0.00 -1.00 0.00 0.00 179.01 178.24 1wh5 h ARG 31 N 0.82 -0.25 -0.32 2.33 2.47 0.23 0.62 114.38 120.28 1wh5 h ARG 31 Ca 0.21 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1wh5 h ARG 31 Cb 0.10 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1wh5 h ARG 31 CO -0.03 -0.17 0.08 0.52 0.56 0.00 0.00 179.97 180.94 1wh5 h MET 32 N -0.26 0.52 -0.81 0.04 2.86 -0.73 -1.35 114.93 115.19 1wh5 h MET 32 Ca 0.17 -0.12 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 1wh5 h MET 32 Cb 0.55 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.05 1wh5 h MET 32 CO -0.55 0.58 0.42 -0.07 1.06 0.00 0.00 176.91 178.35 1wh5 h LEU 33 N 0.37 0.53 -0.90 1.22 3.38 0.04 1.20 115.31 121.14 1wh5 h LEU 33 Ca 0.10 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1wh5 h LEU 33 Cb 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1wh5 h LEU 33 CO 0.00 0.26 -0.13 0.00 0.09 0.00 0.00 178.44 178.66 1wh5 h ALA 34 N 1.51 1.07 0.07 1.53 0.00 0.50 -0.06 119.26 123.88 1wh5 h ALA 34 Ca 0.43 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wh5 h ALA 34 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wh5 h ALA 34 CO -0.32 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 180.71 1wh5 h LEU 35 N 0.61 -0.07 -0.69 0.00 5.85 0.64 -1.60 115.31 120.04 1wh5 h LEU 35 Ca 0.10 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1wh5 h LEU 35 Cb 0.57 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1wh5 h LEU 35 CO 0.04 0.39 0.32 0.00 -0.34 0.00 0.00 178.44 178.85 1wh5 h ALA 36 N 0.32 0.95 0.00 1.25 0.00 0.14 1.27 119.26 123.19 1wh5 h ALA 36 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wh5 h ALA 36 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wh5 h ALA 36 CO 0.01 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1wh5 n GLU 37 N -4.90 0.14 -0.14 0.00 1.02 -0.05 0.20 120.64 116.92 1wh5 n GLU 37 Ca 0.11 0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 57.11 1wh5 n GLU 37 Cb 0.29 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.38 0.59 0.06 3.49 0.63 0.28 -4.56 116.66 115.77 1wh5 n ARG 38 Ca 0.07 0.27 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 1wh5 n ARG 38 Cb 0.17 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.45 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 -1.00 1.42 0.00 5.15 3.07 0.12 -3.48 117.51 122.79 1wh5 h ILE 39 Ca -0.69 -3.09 0.00 0.00 1.55 0.00 0.00 64.86 62.63 1wh5 h ILE 39 Cb 1.60 2.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.95 1wh5 h ILE 39 CO -0.42 0.86 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 1wh5 n GLY 40 N 1.50 1.69 3.82 0.16 0.00 0.55 -4.49 105.19 108.42 1wh5 n GLY 40 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.45 -2.22 -3.89 1.61 7.02 0.18 -4.96 117.44 114.72 1wh5 n TRP 41 Ca 0.00 0.89 -0.11 0.00 -1.02 0.00 0.00 57.50 57.27 1wh5 n TRP 41 Cb 0.00 -4.21 -0.10 0.00 -2.42 0.00 0.00 31.31 24.58 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 -6.38 0.46 -0.06 -0.99 3.52 -1.26 -4.88 118.95 109.36 1wh5 s ARG 42 Ca 0.43 -0.46 0.04 0.00 -0.13 0.00 0.00 55.73 55.61 1wh5 s ARG 42 Cb -0.21 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 1wh5 s ARG 42 CO 0.82 -0.11 -0.18 0.42 -0.81 0.00 0.00 175.30 175.44 1wh5 s ILE 43 N -1.46 1.50 0.28 4.11 1.09 -1.26 -4.88 121.20 120.58 1wh5 s ILE 43 Ca -0.15 -0.73 -0.08 0.00 -1.10 0.00 0.00 60.65 58.59 1wh5 s ILE 43 Cb -0.08 -1.30 -0.00 0.00 -1.06 0.00 0.00 42.46 40.02 1wh5 s ILE 43 CO 0.01 0.43 0.46 -1.10 -0.10 0.00 0.00 174.94 174.64 1wh5 s GLN 44 N 0.20 1.67 0.40 2.79 -0.21 -1.26 -5.01 119.66 118.24 1wh5 s GLN 44 Ca -0.08 -1.48 0.28 0.00 0.02 0.00 0.00 55.36 54.10 1wh5 s GLN 44 Cb -0.13 0.45 1.41 0.00 1.00 0.00 0.00 33.01 35.73 1wh5 s GLN 44 CO 0.04 -0.69 1.84 0.07 -2.12 0.00 0.00 175.29 174.43 1wh5 h ARG 45 N 2.23 0.00 0.00 2.91 -0.00 -2.00 0.21 114.38 117.73 1wh5 h ARG 45 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.69 1wh5 h ARG 45 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.21 1wh5 h ARG 45 CO 0.39 0.00 -0.12 1.96 -0.00 0.00 0.00 179.97 182.20 1wh5 h GLN 46 N 0.00 0.00 0.00 0.08 1.08 -2.02 -3.31 115.11 110.95 1wh5 h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wh5 h GLN 46 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1wh5 h GLN 46 CO 0.00 0.36 0.00 -0.25 -0.95 0.00 0.00 178.83 177.99 1wh5 n ASP 47 N -4.69 0.51 -0.35 1.46 9.92 -1.04 -3.20 116.55 119.16 1wh5 n ASP 47 Ca -0.05 0.63 0.15 0.00 -0.53 0.00 0.00 54.79 54.99 1wh5 n ASP 47 Cb 0.21 -0.74 0.30 0.00 -0.64 0.00 0.00 41.12 40.25 1wh5 n ASP 47 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wh5 h ASP 48 N 0.00 -0.49 -0.39 -2.24 1.82 -0.67 1.82 116.42 116.27 1wh5 h ASP 48 Ca 0.00 0.29 0.04 0.00 -0.39 0.00 0.00 57.03 56.97 1wh5 h ASP 48 Cb 0.33 0.50 -0.04 0.00 0.68 0.00 0.00 39.33 40.79 1wh5 h ASP 48 CO 0.00 -0.37 0.16 -0.08 -1.61 0.00 0.00 179.24 177.34 1wh5 h GLU 49 N 0.00 0.33 -0.35 0.28 4.81 -1.77 1.19 114.58 119.07 1wh5 h GLU 49 Ca 0.61 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.67 1wh5 h GLU 49 Cb 1.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1wh5 h GLU 49 CO -0.94 0.22 -0.39 0.28 -0.73 0.00 0.00 179.01 177.45 1wh5 h VAL 50 N 0.34 1.28 0.76 0.32 2.07 0.17 0.15 116.25 121.34 1wh5 h VAL 50 Ca 0.18 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 1wh5 h VAL 50 Cb 0.13 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1wh5 h VAL 50 CO -0.16 0.52 -0.36 0.40 0.02 0.00 0.00 177.57 177.99 1wh5 h ILE 51 N 0.70 0.00 -0.02 4.57 1.08 0.28 1.18 117.51 125.31 1wh5 h ILE 51 Ca 0.06 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1wh5 h ILE 51 Cb 0.97 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1wh5 h ILE 51 CO 0.09 0.00 0.02 1.56 -0.69 0.00 0.00 178.15 179.13 1wh5 h GLN 52 N -1.16 0.00 0.13 2.37 4.20 0.14 -0.34 115.11 120.45 1wh5 h GLN 52 Ca -0.10 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.32 1wh5 h GLN 52 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1wh5 h GLN 52 CO 0.17 0.00 -1.35 -0.09 -0.67 0.00 0.00 178.83 176.90 1wh5 h ARG 53 N 0.00 0.28 0.00 1.46 9.65 -0.35 -3.26 114.38 122.16 1wh5 h ARG 53 Ca 0.01 -0.48 -0.05 0.00 -1.10 0.00 0.00 59.98 58.36 1wh5 h ARG 53 Cb 0.05 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1wh5 h ARG 53 CO -0.00 1.20 -0.23 0.35 2.80 0.00 0.00 179.97 184.09 1wh5 h PHE 54 N 0.08 0.00 0.00 2.20 3.57 0.32 0.50 116.94 123.61 1wh5 h PHE 54 Ca -0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1wh5 h PHE 54 Cb 2.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.74 1wh5 h PHE 54 CO 0.07 0.23 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 1wh5 n GLN 56 N -1.42 0.62 -0.13 0.00 1.13 0.15 -2.16 117.38 115.57 1wh5 n GLN 56 Ca 0.08 0.11 -0.22 0.00 -1.94 0.00 0.00 57.00 55.03 1wh5 n GLN 56 Cb 0.24 -1.78 -0.11 0.00 0.11 0.00 0.00 30.24 28.70 1wh5 n GLN 56 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1wh5 n GLU 57 N -2.68 0.63 -0.09 -1.09 0.28 -0.93 -4.74 120.64 112.02 1wh5 n GLU 57 Ca -0.04 0.20 -0.11 0.00 -0.16 0.00 0.00 57.16 57.04 1wh5 n GLU 57 Cb 0.65 -1.52 -0.05 0.00 1.43 0.00 0.00 31.44 31.94 1wh5 n GLU 57 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wh5 n THR 58 N -3.59 1.46 0.00 3.84 -2.24 0.34 -5.02 114.28 109.08 1wh5 n THR 58 Ca -0.48 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1wh5 n THR 58 Cb 0.96 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 1.53 0.80 3.76 3.38 0.00 -0.92 -5.02 105.19 108.72 1wh5 n GLY 59 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 3.44 0.32 1.61 1.01 -1.26 -4.96 120.40 118.55 1wh5 s VAL 60 Ca 0.00 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 1wh5 s VAL 60 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1wh5 s VAL 60 CO 0.00 0.31 1.07 -2.16 0.00 0.00 0.00 175.10 174.32 1wh5 s PRO 61 N -1.59 4.50 0.17 2.72 0.04 -1.26 -4.33 135.00 135.26 1wh5 s PRO 61 Ca 0.46 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 1wh5 s PRO 61 Cb -0.32 -2.98 0.14 0.00 0.04 0.00 0.00 34.50 31.38 1wh5 s PRO 61 CO 0.41 0.12 1.70 -0.09 0.04 0.00 0.00 177.00 179.18 1wh5 h ARG 62 N 3.41 0.13 -0.77 4.56 2.43 -1.94 0.23 114.38 122.43 1wh5 h ARG 62 Ca -0.47 -0.01 0.21 0.00 -0.81 0.00 0.00 59.98 58.90 1wh5 h ARG 62 Cb 1.21 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 1wh5 h ARG 62 CO 0.65 0.09 0.54 0.37 -1.51 0.00 0.00 179.97 180.12 1wh5 h GLN 63 N 0.14 0.10 0.16 0.20 4.15 -1.98 1.25 115.11 119.12 1wh5 h GLN 63 Ca 0.22 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1wh5 h GLN 63 Cb 0.31 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1wh5 h GLN 63 CO -0.34 0.06 -0.08 0.28 -1.93 0.00 0.00 178.83 176.83 1wh5 h VAL 64 N 0.10 0.00 -0.81 2.39 2.07 -1.01 -2.73 116.25 116.25 1wh5 h VAL 64 Ca 0.38 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 67.44 1wh5 h VAL 64 Cb 1.34 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1wh5 h VAL 64 CO -0.04 0.00 0.55 0.25 0.02 0.00 0.00 177.57 178.34 1wh5 h LEU 65 N -0.85 0.32 0.00 2.57 7.12 -0.40 1.47 115.31 125.54 1wh5 h LEU 65 Ca -0.02 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1wh5 h LEU 65 Cb 0.16 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1wh5 h LEU 65 CO 0.04 0.15 0.00 1.17 -0.13 0.00 0.00 178.44 179.66 1wh5 n LYS 66 N -4.46 0.00 -0.12 1.25 4.81 0.42 -2.02 118.16 118.03 1wh5 n LYS 66 Ca 0.16 0.41 0.06 0.00 -0.87 0.00 0.00 58.31 58.08 1wh5 n LYS 66 Cb 0.65 -1.38 0.38 0.00 0.02 0.00 0.00 35.03 34.70 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 1.04 -0.83 3.15 2.07 -1.14 -2.07 116.25 118.47 1wh5 h VAL 67 Ca 0.00 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.41 1wh5 h VAL 67 Cb 0.00 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 29.94 1wh5 h VAL 67 CO 0.00 0.12 -0.43 -0.25 0.02 0.00 0.00 177.57 177.04 1wh5 h TRP 68 N 0.68 -1.24 0.26 1.57 7.01 0.22 1.45 115.95 125.89 1wh5 h TRP 68 Ca 0.26 0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.37 1wh5 h TRP 68 Cb 0.18 0.66 -0.04 0.00 -2.10 0.00 0.00 29.16 27.86 1wh5 h TRP 68 CO -0.00 -0.40 -0.47 -0.07 -2.79 0.00 0.00 178.44 174.71 1wh5 h LEU 69 N -0.08 -1.34 -1.96 0.65 3.38 -0.76 0.33 115.31 115.53 1wh5 h LEU 69 Ca 0.26 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.54 1wh5 h LEU 69 Cb 0.55 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1wh5 h LEU 69 CO -0.86 -0.56 0.53 -0.74 0.09 0.00 0.00 178.44 176.89 1wh5 h HIS 70 N -0.80 0.00 0.00 1.13 2.76 -0.61 1.92 115.15 119.56 1wh5 h HIS 70 Ca -0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 1wh5 h HIS 70 Cb 0.76 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1wh5 h HIS 70 CO -0.34 0.00 -0.44 -0.91 -1.30 0.00 0.00 177.93 174.94 1wh5 h ASN 71 N 0.00 0.00 0.00 3.26 2.35 0.49 -3.43 115.58 118.25 1wh5 h ASN 71 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1wh5 h ASN 71 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1wh5 h ASN 71 CO -0.00 0.44 0.00 0.59 -1.65 0.00 0.00 177.43 176.81 1wh5 n ASN 72 N -3.25 0.00 -0.02 5.81 3.02 0.57 -5.06 115.26 116.33 1wh5 n ASN 72 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1wh5 n ASN 72 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1wh5 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wh5 n LYS 73 N -0.25 0.00 -3.93 3.52 5.02 0.34 -4.46 118.16 118.41 1wh5 n LYS 73 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1wh5 n LYS 73 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 1wh5 n LYS 73 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1wh5 s HIS 74 N 0.00 3.02 -0.18 2.13 3.76 -1.26 -5.06 115.29 117.69 1wh5 s HIS 74 Ca 0.00 -1.28 -0.29 0.00 -0.15 0.00 0.00 55.06 53.34 1wh5 s HIS 74 Cb 0.00 -2.09 0.12 0.00 1.11 0.00 0.00 32.58 31.72 1wh5 s HIS 74 CO 0.00 -0.66 0.96 -1.54 -0.85 0.00 0.00 174.74 172.65 1wh5 s SER 75 N 1.40 -0.44 0.84 1.40 1.04 -1.26 -5.16 113.70 111.52 1wh5 s SER 75 Ca 0.03 0.60 -0.16 0.00 0.48 0.00 0.00 55.95 56.90 1wh5 s SER 75 Cb -0.16 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.42 1wh5 s SER 75 CO -0.04 -0.32 0.01 0.61 0.98 0.00 0.00 173.24 174.48 1wh5 n GLY 76 N 1.22 -2.83 0.10 7.32 0.00 -1.26 -4.92 105.19 104.82 1wh5 n GLY 76 Ca -0.12 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 1wh5 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh5 h PRO 77 N -0.85 0.22 -7.25 1.61 0.13 -2.03 -3.45 132.00 120.38 1wh5 h PRO 77 Ca -0.44 -0.21 -0.50 0.00 -0.87 0.00 0.00 66.00 63.98 1wh5 h PRO 77 Cb 1.33 0.05 0.08 0.00 0.13 0.00 0.00 31.00 32.59 1wh5 h PRO 77 CO 0.34 0.91 0.37 -1.54 -0.23 0.00 0.00 178.00 177.85 1wh5 s SER 78 N -6.33 5.55 0.00 1.44 1.04 -1.26 -4.93 113.70 109.21 1wh5 s SER 78 Ca -0.15 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.04 1wh5 s SER 78 Cb 0.02 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1wh5 s SER 78 CO 0.75 -1.32 0.00 -1.54 0.98 0.00 0.00 173.24 172.11 1wh5 n SER 79 N -2.47 0.00 0.00 7.02 3.41 -1.26 -5.17 113.62 115.15 1wh5 n SER 79 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1wh5 n SER 79 Cb 0.53 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1wh5 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49