#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 1.10 -4.12 1.61 2.88 -1.26 -4.96 113.62 108.88 1wh5 n SER 2 Ca 0.00 0.14 -0.37 0.00 -1.33 0.00 0.00 58.87 57.31 1wh5 n SER 2 Cb 0.00 -0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.03 1wh5 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh5 s SER 3 N -5.98 5.34 0.45 -3.46 1.04 -1.26 -5.02 113.70 104.80 1wh5 s SER 3 Ca -0.00 -2.55 0.00 0.00 0.48 0.00 0.00 55.95 53.88 1wh5 s SER 3 Cb 0.00 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1wh5 s SER 3 CO 0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1wh5 n GLY 4 N 3.91 -2.64 2.02 7.32 0.00 -1.26 -5.02 105.19 109.53 1wh5 n GLY 4 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1wh5 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh5 n SER 5 N -4.12 -0.44 -3.63 1.61 3.41 -1.26 -4.91 113.62 104.28 1wh5 n SER 5 Ca -0.04 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1wh5 n SER 5 Cb 0.60 0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 65.05 1wh5 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh5 s SER 6 N -3.74 -0.28 0.00 4.04 0.15 -1.26 -5.12 113.70 107.49 1wh5 s SER 6 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1wh5 s SER 6 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1wh5 s SER 6 CO 0.00 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1wh5 n GLY 7 N 0.00 -0.60 3.14 9.45 0.00 -1.26 -5.13 105.19 110.79 1wh5 n GLY 7 Ca -0.17 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 1wh5 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh5 s SER 8 N 0.00 4.92 -0.33 1.61 1.04 -1.26 -5.03 113.70 114.66 1wh5 s SER 8 Ca 0.00 -1.50 0.01 0.00 0.48 0.00 0.00 55.95 54.95 1wh5 s SER 8 Cb 0.00 -1.72 0.15 0.00 0.10 0.00 0.00 66.02 64.55 1wh5 s SER 8 CO 0.00 -0.32 0.34 -0.44 0.98 0.00 0.00 173.24 173.80 1wh5 s SER 9 N 1.33 1.36 -0.05 7.02 0.01 -1.26 -5.13 113.70 116.98 1wh5 s SER 9 Ca -0.02 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.04 1wh5 s SER 9 Cb -0.20 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1wh5 s SER 9 CO -0.02 -0.32 0.16 0.00 0.41 0.00 0.00 173.24 173.46 1wh5 s ALA 10 N 1.91 -0.40 0.13 1.44 0.00 -1.26 -5.07 121.76 118.52 1wh5 s ALA 10 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1wh5 s ALA 10 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1wh5 s ALA 10 CO -0.18 -0.11 0.00 0.39 0.00 0.00 0.00 175.76 175.86 1wh5 n GLU 11 N 2.66 0.00 -3.41 0.00 4.71 -1.26 -5.10 120.64 118.25 1wh5 n GLU 11 Ca -0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.02 1wh5 n GLU 11 Cb 0.58 -0.28 -0.03 0.00 -1.01 0.00 0.00 31.44 30.70 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wh5 s ALA 12 N -2.00 -2.45 0.00 0.62 0.00 -1.26 -5.11 121.76 111.56 1wh5 s ALA 12 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1wh5 s ALA 12 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1wh5 s ALA 12 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1wh5 n GLY 13 N 5.31 0.66 0.00 0.00 0.00 -1.26 -5.07 105.19 104.83 1wh5 n GLY 13 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.02 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.78 1wh5 n GLY 14 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 5.49 3.14 -0.02 0.00 -1.26 -5.13 105.19 107.41 1wh5 n GLY 15 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 2.11 2.50 -0.03 -0.61 1.01 -1.26 -4.88 121.20 120.04 1wh5 s ILE 16 Ca 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 60.65 59.37 1wh5 s ILE 16 Cb 0.00 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1wh5 s ILE 16 CO 0.00 0.13 0.01 0.54 0.00 0.00 0.00 174.94 175.62 1wh5 n ARG 17 N 4.57 -0.85 -2.15 2.79 3.00 -1.26 -4.73 116.66 118.04 1wh5 n ARG 17 Ca -0.16 1.10 -0.43 0.00 -0.01 0.00 0.00 57.85 58.35 1wh5 n ARG 17 Cb 0.45 -1.42 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 1wh5 n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1wh5 s LYS 18 N -0.85 3.50 -0.29 5.56 3.01 -1.26 -4.92 119.74 124.50 1wh5 s LYS 18 Ca -0.01 1.29 -0.21 0.00 -1.01 0.00 0.00 55.97 56.03 1wh5 s LYS 18 Cb 0.00 -4.11 0.16 0.00 -1.01 0.00 0.00 37.83 32.87 1wh5 s LYS 18 CO 0.09 -1.66 1.14 0.50 0.51 0.00 0.00 175.35 175.93 1wh5 s ARG 19 N 5.23 0.31 0.03 1.68 3.52 -1.26 -4.94 118.95 123.52 1wh5 s ARG 19 Ca 0.72 0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 56.74 1wh5 s ARG 19 Cb -0.20 0.12 -0.00 0.00 -1.56 0.00 0.00 34.95 33.31 1wh5 s ARG 19 CO 0.33 -0.05 -0.01 1.58 -0.81 0.00 0.00 175.30 176.34 1wh5 n HIS 20 N 2.61 0.00 -3.05 5.12 -0.00 -1.26 -5.04 115.22 113.60 1wh5 n HIS 20 Ca -0.14 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.03 1wh5 n HIS 20 Cb 0.57 -0.02 -0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1wh5 n HIS 20 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1wh5 s ARG 21 N -1.47 0.87 0.22 1.57 3.52 -1.26 -5.15 118.95 117.25 1wh5 s ARG 21 Ca -0.01 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.18 1wh5 s ARG 21 Cb 0.00 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1wh5 s ARG 21 CO 0.02 -1.19 -0.03 0.95 -0.81 0.00 0.00 175.30 174.24 1wh5 s THR 22 N 1.54 3.42 -0.46 4.11 -4.23 -1.26 -5.08 115.64 113.69 1wh5 s THR 22 Ca 0.20 -1.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 1wh5 s THR 22 Cb -0.02 -2.77 0.25 0.00 1.34 0.00 0.00 72.50 71.30 1wh5 s THR 22 CO -0.07 -0.24 0.82 0.29 -0.54 0.00 0.00 174.62 174.89 1wh5 n LYS 23 N -0.44 0.79 -2.27 3.99 4.76 -1.26 -5.11 118.16 118.62 1wh5 n LYS 23 Ca -0.08 -2.12 -0.43 0.00 -2.87 0.00 0.00 58.31 52.81 1wh5 n LYS 23 Cb 0.57 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 32.35 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 0.17 2.43 0.70 2.13 0.08 -1.26 -5.01 117.98 117.22 1wh5 s PHE 24 Ca 0.32 0.71 -0.03 0.00 0.12 0.00 0.00 56.93 58.05 1wh5 s PHE 24 Cb 0.22 -3.86 0.10 0.00 -0.57 0.00 0.00 43.02 38.91 1wh5 s PHE 24 CO -0.20 -2.38 0.97 -0.08 -0.10 0.00 0.00 175.22 173.44 1wh5 s THR 25 N 4.50 2.28 0.26 0.64 -1.32 -1.26 -4.51 115.64 116.23 1wh5 s THR 25 Ca 0.63 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1wh5 s THR 25 Cb -0.22 -2.78 0.37 0.00 -1.51 0.00 0.00 72.50 68.36 1wh5 s THR 25 CO 0.24 0.00 1.34 0.00 -2.21 0.00 0.00 174.62 173.99 1wh5 n ALA 26 N -2.81 0.37 -0.16 11.08 0.00 -1.26 0.18 120.51 127.91 1wh5 n ALA 26 Ca 0.12 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.48 1wh5 n ALA 26 Cb 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -5.28 0.00 -0.26 0.00 2.13 -1.26 0.13 120.64 116.11 1wh5 n GLU 27 Ca 0.18 0.45 0.05 0.00 0.66 0.00 0.00 57.16 58.51 1wh5 n GLU 27 Cb 0.59 -1.42 0.16 0.00 0.27 0.00 0.00 31.44 31.05 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 0.12 0.72 5.31 1.08 -1.35 1.61 115.11 122.60 1wh5 h GLN 28 Ca 0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1wh5 h GLN 28 Cb 0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1wh5 h GLN 28 CO 0.00 0.08 -0.46 0.87 -0.95 0.00 0.00 178.83 178.37 1wh5 h LYS 29 N 0.13 -1.07 -0.78 1.46 1.57 0.19 0.30 116.57 118.37 1wh5 h LYS 29 Ca 0.42 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.35 1wh5 h LYS 29 Cb 0.74 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.24 1wh5 h LYS 29 CO -0.64 -0.71 0.51 0.93 -0.57 0.00 0.00 179.45 178.97 1wh5 h GLU 30 N -1.11 0.74 0.92 3.15 5.08 0.26 0.29 114.58 123.90 1wh5 h GLU 30 Ca -0.09 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1wh5 h GLU 30 Cb 0.90 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1wh5 h GLU 30 CO 0.08 0.49 -0.44 0.00 -1.00 0.00 0.00 179.01 178.14 1wh5 h ARG 31 N 0.76 -1.18 -0.28 2.33 2.47 0.29 0.10 114.38 118.87 1wh5 h ARG 31 Ca 0.35 0.08 0.03 0.00 -1.26 0.00 0.00 59.98 59.18 1wh5 h ARG 31 Cb 0.37 0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.93 1wh5 h ARG 31 CO -0.13 -0.79 0.09 0.52 0.56 0.00 0.00 179.97 180.23 1wh5 h MET 32 N -1.31 0.21 -0.76 0.04 2.86 -0.02 0.30 114.93 116.25 1wh5 h MET 32 Ca -0.13 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1wh5 h MET 32 Cb 0.94 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.48 1wh5 h MET 32 CO 0.21 0.14 0.39 -0.07 1.06 0.00 0.00 176.91 178.63 1wh5 h LEU 33 N 0.22 0.49 -0.91 1.22 3.38 -0.41 1.33 115.31 120.63 1wh5 h LEU 33 Ca 0.12 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1wh5 h LEU 33 Cb 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wh5 h LEU 33 CO -0.13 0.26 -0.37 0.00 0.09 0.00 0.00 178.44 178.29 1wh5 h ALA 34 N 1.47 1.08 0.03 1.53 0.00 0.06 -0.77 119.26 122.66 1wh5 h ALA 34 Ca 0.39 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wh5 h ALA 34 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wh5 h ALA 34 CO -0.30 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 180.77 1wh5 h LEU 35 N 0.28 -0.04 -0.44 0.00 5.85 0.28 -1.71 115.31 119.54 1wh5 h LEU 35 Ca 0.03 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1wh5 h LEU 35 Cb 0.79 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1wh5 h LEU 35 CO 0.06 0.48 0.11 0.00 -0.34 0.00 0.00 178.44 178.76 1wh5 h ALA 36 N 0.36 0.49 0.00 1.25 0.00 0.16 1.29 119.26 122.82 1wh5 h ALA 36 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wh5 h ALA 36 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wh5 h ALA 36 CO 0.01 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.36 1wh5 n GLU 37 N -5.07 0.09 -0.14 0.00 1.02 -0.30 0.19 120.64 116.44 1wh5 n GLU 37 Ca 0.04 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 57.10 1wh5 n GLU 37 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.08 3.49 0.63 0.19 -4.52 116.66 115.73 1wh5 n ARG 38 Ca 0.05 0.29 -0.11 0.00 -0.92 0.00 0.00 57.85 57.16 1wh5 n ARG 38 Cb 0.14 -1.52 -0.11 0.00 0.45 0.00 0.00 32.46 31.42 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 -0.95 1.59 0.00 5.15 3.07 0.15 -3.48 117.51 123.04 1wh5 h ILE 39 Ca -0.67 -3.13 0.00 0.00 1.55 0.00 0.00 64.86 62.62 1wh5 h ILE 39 Cb 1.60 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.98 1wh5 h ILE 39 CO -0.39 0.90 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 1wh5 n GLY 40 N 1.34 1.67 2.37 0.16 0.00 0.50 -4.37 105.19 106.87 1wh5 n GLY 40 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.87 -0.14 -4.23 1.61 7.02 0.16 -4.96 117.44 116.03 1wh5 n TRP 41 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.28 1wh5 n TRP 41 Cb 0.00 -2.56 -0.12 0.00 -2.42 0.00 0.00 31.31 26.21 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 -3.49 0.99 -0.05 -0.99 3.52 -1.26 -4.89 118.95 112.78 1wh5 s ARG 42 Ca 0.00 -1.10 0.03 0.00 -0.13 0.00 0.00 55.73 54.53 1wh5 s ARG 42 Cb 0.00 -1.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1wh5 s ARG 42 CO 0.00 0.23 -0.15 0.42 -0.81 0.00 0.00 175.30 174.99 1wh5 s ILE 43 N -1.44 1.31 0.26 4.11 1.09 -1.26 -4.82 121.20 120.45 1wh5 s ILE 43 Ca 0.04 -0.62 -0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1wh5 s ILE 43 Cb -0.09 -1.15 -0.03 0.00 -1.06 0.00 0.00 42.46 40.13 1wh5 s ILE 43 CO 0.03 0.39 0.24 -1.10 -0.10 0.00 0.00 174.94 174.40 1wh5 s GLN 44 N 0.27 1.46 0.13 2.79 -0.21 -1.26 -5.01 119.66 117.84 1wh5 s GLN 44 Ca -0.08 -1.71 0.13 0.00 0.02 0.00 0.00 55.36 53.72 1wh5 s GLN 44 Cb -0.13 0.33 0.63 0.00 1.00 0.00 0.00 33.01 34.83 1wh5 s GLN 44 CO 0.03 -0.53 1.41 2.89 -2.12 0.00 0.00 175.29 176.97 1wh5 n ARG 45 N -0.41 0.07 -0.08 2.91 1.85 -1.26 -1.38 116.66 118.36 1wh5 n ARG 45 Ca 0.03 0.47 -0.16 0.00 -1.00 0.00 0.00 57.85 57.19 1wh5 n ARG 45 Cb 0.64 -1.69 -0.11 0.00 -1.05 0.00 0.00 32.46 30.25 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1wh5 h GLN 46 N 0.00 0.00 0.00 2.89 4.20 -2.02 -3.31 115.11 116.87 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 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1wh5 h GLN 46 CO 0.00 0.89 0.00 -0.25 -0.67 0.00 0.00 178.83 178.80 1wh5 n ASP 47 N -4.54 0.50 -0.33 1.46 8.00 -0.94 -3.05 116.55 117.65 1wh5 n ASP 47 Ca -0.19 0.64 0.19 0.00 0.71 0.00 0.00 54.79 56.14 1wh5 n ASP 47 Cb 0.53 -0.74 0.38 0.00 -0.02 0.00 0.00 41.12 41.27 1wh5 n ASP 47 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wh5 h ASP 48 N 0.00 -0.15 -0.50 -2.24 5.19 -1.32 1.84 116.42 119.25 1wh5 h ASP 48 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1wh5 h ASP 48 Cb 0.29 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1wh5 h ASP 48 CO 0.00 -0.33 0.33 -0.33 -3.12 0.00 0.00 179.24 175.78 1wh5 h GLU 49 N 0.05 0.66 -0.25 3.56 5.08 -1.78 0.58 114.58 122.48 1wh5 h GLU 49 Ca 0.66 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.81 1wh5 h GLU 49 Cb 1.49 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1wh5 h GLU 49 CO -0.82 0.45 -0.52 0.28 -1.00 0.00 0.00 179.01 177.39 1wh5 h VAL 50 N 0.68 1.30 0.30 3.13 2.07 0.18 -0.80 116.25 123.10 1wh5 h VAL 50 Ca 0.18 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 1wh5 h VAL 50 Cb -0.07 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1wh5 h VAL 50 CO -0.04 0.55 -0.14 0.40 0.02 0.00 0.00 177.57 178.36 1wh5 h ILE 51 N 0.56 0.00 -0.70 4.57 1.08 0.27 1.52 117.51 124.81 1wh5 h ILE 51 Ca 0.02 -0.05 0.20 0.00 -0.39 0.00 0.00 64.86 64.64 1wh5 h ILE 51 Cb 1.09 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1wh5 h ILE 51 CO 0.11 0.00 0.53 1.56 -0.69 0.00 0.00 178.15 179.66 1wh5 h GLN 52 N -0.46 0.00 0.07 2.37 4.20 0.05 0.01 115.11 121.36 1wh5 h GLN 52 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wh5 h GLN 52 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1wh5 h GLN 52 CO 0.07 0.00 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.10 1wh5 h ARG 53 N 0.00 -0.09 -0.13 1.46 9.65 -0.89 -3.13 114.38 121.25 1wh5 h ARG 53 Ca 0.33 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.25 1wh5 h ARG 53 Cb 1.39 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.99 1wh5 h ARG 53 CO -0.00 0.41 0.30 0.35 2.80 0.00 0.00 179.97 183.83 1wh5 h PHE 54 N -0.93 0.00 0.00 2.20 3.04 0.34 1.48 116.94 123.07 1wh5 h PHE 54 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1wh5 h PHE 54 Cb 0.55 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1wh5 h PHE 54 CO 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.42 1wh5 h GLN 56 N 0.00 0.00 0.01 0.00 -0.00 0.21 0.47 115.11 115.80 1wh5 h GLN 56 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.30 1wh5 h GLN 56 Cb 0.99 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.41 1wh5 h GLN 56 CO 0.00 0.19 -2.21 -0.85 -0.00 0.00 0.00 178.83 175.96 1wh5 n GLU 57 N -3.12 0.67 -0.09 0.06 0.28 -1.02 -4.70 120.64 112.73 1wh5 n GLU 57 Ca 0.03 0.11 -0.10 0.00 -0.16 0.00 0.00 57.16 57.04 1wh5 n GLU 57 Cb 0.61 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.97 1.50 0.00 3.84 -2.24 -0.23 -5.03 114.28 109.14 1wh5 n THR 58 Ca -0.31 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1wh5 n THR 58 Cb 1.10 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 1.45 0.84 3.77 3.38 0.00 0.17 -5.03 105.19 109.77 1wh5 n GLY 59 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 3.51 0.34 1.61 1.01 -1.26 -5.00 120.40 118.62 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 0.21 1.07 -2.16 0.00 0.00 0.00 175.10 174.21 1wh5 s PRO 61 N -1.90 4.39 0.12 2.72 0.04 -1.26 -4.55 135.00 134.56 1wh5 s PRO 61 Ca 0.50 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1wh5 s PRO 61 Cb -0.29 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 1wh5 s PRO 61 CO 0.36 0.03 1.59 -0.09 0.04 0.00 0.00 177.00 178.93 1wh5 h ARG 62 N 3.11 -0.52 -1.19 4.56 2.43 -1.94 0.20 114.38 121.02 1wh5 h ARG 62 Ca -0.47 0.04 0.36 0.00 -0.81 0.00 0.00 59.98 59.09 1wh5 h ARG 62 Cb 1.21 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.77 1wh5 h ARG 62 CO 0.64 -0.35 0.77 0.37 -1.51 0.00 0.00 179.97 179.90 1wh5 h GLN 63 N -0.54 0.21 0.33 0.20 4.15 -1.98 0.86 115.11 118.33 1wh5 h GLN 63 Ca 0.06 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1wh5 h GLN 63 Cb 0.63 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1wh5 h GLN 63 CO -0.32 0.14 -0.16 0.28 -1.93 0.00 0.00 178.83 176.84 1wh5 h VAL 64 N 0.21 0.17 -0.05 2.39 2.07 -1.22 -1.92 116.25 117.90 1wh5 h VAL 64 Ca 0.71 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1wh5 h VAL 64 Cb 2.10 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1wh5 h VAL 64 CO -0.35 0.04 0.33 0.25 0.02 0.00 0.00 177.57 177.86 1wh5 h LEU 65 N -1.08 0.00 0.00 2.57 7.12 0.15 1.62 115.31 125.70 1wh5 h LEU 65 Ca -0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1wh5 h LEU 65 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1wh5 h LEU 65 CO 0.07 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.55 1wh5 n LYS 66 N -3.01 0.00 -0.18 1.25 4.81 0.28 -3.41 118.16 117.90 1wh5 n LYS 66 Ca -0.01 0.38 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 1wh5 n LYS 66 Cb 0.39 -0.98 0.35 0.00 0.02 0.00 0.00 35.03 34.80 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 1.03 -0.87 3.15 2.07 -0.89 -2.10 116.25 118.65 1wh5 h VAL 67 Ca 0.00 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1wh5 h VAL 67 Cb 0.00 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 29.83 1wh5 h VAL 67 CO 0.00 0.14 -0.47 -0.25 0.02 0.00 0.00 177.57 177.01 1wh5 h TRP 68 N 0.77 -1.41 -0.30 1.57 7.01 0.22 1.65 115.95 125.47 1wh5 h TRP 68 Ca 0.31 0.11 0.06 0.00 2.11 0.00 0.00 58.89 61.48 1wh5 h TRP 68 Cb 0.23 0.74 -0.08 0.00 -2.10 0.00 0.00 29.16 27.95 1wh5 h TRP 68 CO -0.00 -0.40 -0.40 -0.07 -2.79 0.00 0.00 178.44 174.78 1wh5 h LEU 69 N -0.07 -1.31 -1.19 0.65 3.38 -1.39 1.09 115.31 116.47 1wh5 h LEU 69 Ca 0.24 0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.49 1wh5 h LEU 69 Cb 0.53 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1wh5 h LEU 69 CO -0.88 -0.38 0.58 -0.74 0.09 0.00 0.00 178.44 177.11 1wh5 h HIS 70 N -0.37 0.97 -0.03 1.13 2.76 -0.20 0.93 115.15 120.34 1wh5 h HIS 70 Ca 0.12 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 1wh5 h HIS 70 Cb 0.59 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1wh5 h HIS 70 CO -0.55 0.46 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.27 1wh5 h ASN 71 N 0.91 0.06 0.00 3.26 -0.26 0.58 -3.36 115.58 116.77 1wh5 h ASN 71 Ca 0.41 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1wh5 h ASN 71 Cb 0.37 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1wh5 h ASN 71 CO -0.17 0.42 0.00 0.59 -1.06 0.00 0.00 177.43 177.21 1wh5 n ASN 72 N -4.10 0.00 -4.52 5.81 5.03 0.34 -4.90 115.26 112.92 1wh5 n ASN 72 Ca -0.02 0.00 -0.49 0.00 0.87 0.00 0.00 54.58 54.95 1wh5 n ASN 72 Cb 0.41 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.13 1wh5 n ASN 72 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1wh5 n LYS 73 N -0.75 0.76 -3.69 3.52 2.85 0.28 -4.95 118.16 116.18 1wh5 n LYS 73 Ca 0.00 0.27 -0.30 0.00 -1.05 0.00 0.00 58.31 57.23 1wh5 n LYS 73 Cb 0.00 -1.60 -0.15 0.00 -0.65 0.00 0.00 35.03 32.64 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 -0.60 1.50 -0.45 5.58 2.46 -1.26 -4.64 115.29 117.88 1wh5 s HIS 74 Ca 0.69 -1.67 0.02 0.00 0.47 0.00 0.00 55.06 54.57 1wh5 s HIS 74 Cb -0.88 -1.59 0.14 0.00 -0.13 0.00 0.00 32.58 30.12 1wh5 s HIS 74 CO 0.56 -0.86 0.27 -1.54 -2.47 0.00 0.00 174.74 170.69 1wh5 s SER 75 N 1.56 3.44 -0.43 9.88 1.04 -1.26 -5.07 113.70 122.86 1wh5 s SER 75 Ca 0.11 -2.72 -0.05 0.00 0.48 0.00 0.00 55.95 53.76 1wh5 s SER 75 Cb -0.18 -0.95 0.11 0.00 0.10 0.00 0.00 66.02 65.10 1wh5 s SER 75 CO -0.24 -0.25 0.26 -0.83 0.98 0.00 0.00 173.24 173.16 1wh5 s GLY 76 N 0.25 2.01 0.19 7.32 0.00 -1.26 -4.92 107.32 110.91 1wh5 s GLY 76 Ca 0.20 -2.54 0.04 0.00 0.00 0.00 0.00 44.72 42.42 1wh5 s GLY 76 CO -0.03 1.06 1.44 -0.56 0.00 0.00 0.00 173.10 175.00 1wh5 h PRO 77 N 8.19 0.17 -1.54 2.90 0.13 -2.07 -3.45 132.00 136.33 1wh5 h PRO 77 Ca -0.16 -0.17 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 1wh5 h PRO 77 Cb 1.06 0.04 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 1wh5 h PRO 77 CO 0.76 0.88 0.41 -1.12 -0.23 0.00 0.00 178.00 178.69 1wh5 s SER 78 N -6.90 -0.49 -0.06 1.44 0.01 -1.26 -5.16 113.70 101.27 1wh5 s SER 78 Ca -0.03 0.81 -0.03 0.00 1.31 0.00 0.00 55.95 58.02 1wh5 s SER 78 Cb 0.11 1.11 0.04 0.00 0.21 0.00 0.00 66.02 67.49 1wh5 s SER 78 CO 0.81 -0.13 0.14 -0.94 0.41 0.00 0.00 173.24 173.53 1wh5 s SER 79 N 1.07 0.01 0.00 2.44 1.04 -1.26 -5.25 113.70 111.75 1wh5 s SER 79 Ca -0.06 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1wh5 s SER 79 Cb -0.04 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wh5 s SER 79 CO -0.13 -0.16 0.16 0.61 0.98 0.00 0.00 173.24 174.70