#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 -7.97 0.42 1.61 2.88 -1.26 -4.89 113.62 104.41 1wh5 n SER 2 Ca 0.00 1.35 -0.19 0.00 -1.33 0.00 0.00 58.87 58.70 1wh5 n SER 2 Cb 0.00 -4.39 -0.09 0.00 -0.75 0.00 0.00 64.21 58.98 1wh5 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wh5 h SER 3 N 3.49 -1.01 0.00 -3.46 0.87 -2.07 -3.49 113.55 107.88 1wh5 h SER 3 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1wh5 h SER 3 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1wh5 h SER 3 CO 0.00 -0.68 0.00 0.61 -0.53 0.00 0.00 176.83 176.23 1wh5 n GLY 4 N -1.57 -0.77 3.80 5.77 0.00 -1.26 -5.13 105.19 106.02 1wh5 n GLY 4 Ca -0.15 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.00 7.18 0.32 1.61 0.01 -1.26 -5.01 113.70 112.55 1wh5 s SER 5 Ca 0.00 1.44 -0.29 0.00 1.31 0.00 0.00 55.95 58.42 1wh5 s SER 5 Cb 0.00 -2.43 -0.12 0.00 0.21 0.00 0.00 66.02 63.68 1wh5 s SER 5 CO 0.00 0.18 1.33 -1.20 0.41 0.00 0.00 173.24 173.97 1wh5 n SER 6 N 1.38 2.86 0.00 2.44 7.64 -1.26 -4.32 113.62 122.37 1wh5 n SER 6 Ca -0.06 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wh5 n SER 6 Cb 0.50 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 1.04 0.33 3.50 0.23 0.00 -1.26 -5.13 105.19 103.91 1wh5 n GLY 7 Ca 0.06 0.12 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1wh5 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh5 n SER 8 N 0.00 0.07 -4.32 1.61 7.64 -1.26 -4.95 113.62 112.41 1wh5 n SER 8 Ca 0.00 1.13 -0.33 0.00 1.01 0.00 0.00 58.87 60.68 1wh5 n SER 8 Cb 0.00 -1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 61.92 1wh5 n SER 8 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh5 s SER 9 N -0.77 3.90 0.00 6.43 1.04 -1.26 -4.83 113.70 118.20 1wh5 s SER 9 Ca 0.61 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1wh5 s SER 9 Cb -0.78 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1wh5 s SER 9 CO 0.58 0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.91 1wh5 n ALA 10 N 3.91 0.00 -3.59 5.32 0.00 -1.26 -4.64 120.51 120.26 1wh5 n ALA 10 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 1wh5 n ALA 10 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1wh5 n ALA 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wh5 s GLU 11 N 0.00 0.75 0.38 0.00 -1.05 -1.26 -5.18 118.70 112.34 1wh5 s GLU 11 Ca 0.00 -0.33 0.07 0.00 -0.15 0.00 0.00 54.97 54.57 1wh5 s GLU 11 Cb 0.00 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1wh5 s GLU 11 CO 0.00 -0.33 0.45 0.00 0.95 0.00 0.00 175.26 176.32 1wh5 s ALA 12 N -2.93 4.21 0.00 -0.84 0.00 -1.26 -5.07 121.76 115.87 1wh5 s ALA 12 Ca 0.08 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1wh5 s ALA 12 Cb -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1wh5 s ALA 12 CO -0.05 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1wh5 n GLY 13 N -1.63 2.50 0.00 0.00 0.00 -1.26 -5.14 105.19 99.65 1wh5 n GLY 13 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.92 -2.36 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.31 1wh5 n GLY 14 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 3.45 -0.02 0.00 -1.26 -5.00 105.19 104.53 1wh5 n GLY 15 Ca 0.00 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.36 5.21 0.42 -0.61 1.01 -1.26 -5.05 121.20 120.56 1wh5 s ILE 16 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1wh5 s ILE 16 Cb 0.00 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 1wh5 s ILE 16 CO 0.00 -0.39 1.27 -1.14 0.00 0.00 0.00 174.94 174.69 1wh5 n ARG 17 N 5.30 1.95 -3.30 2.79 0.63 -1.26 -4.95 116.66 117.81 1wh5 n ARG 17 Ca -0.10 0.69 -0.26 0.00 -0.92 0.00 0.00 57.85 57.26 1wh5 n ARG 17 Cb 0.47 -2.38 -0.07 0.00 0.45 0.00 0.00 32.46 30.92 1wh5 n ARG 17 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1wh5 n LYS 18 N 0.07 2.31 -3.24 -0.14 4.81 -1.26 -4.97 118.16 115.75 1wh5 n LYS 18 Ca 0.06 -4.44 -0.03 0.00 -0.87 0.00 0.00 58.31 53.03 1wh5 n LYS 18 Cb 0.39 -2.08 -0.03 0.00 0.02 0.00 0.00 35.03 33.33 1wh5 n LYS 18 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1wh5 s ARG 19 N -2.44 0.48 0.03 1.64 0.52 -1.26 -5.03 118.95 112.89 1wh5 s ARG 19 Ca 0.41 0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.89 1wh5 s ARG 19 Cb 0.18 -0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 1wh5 s ARG 19 CO -0.05 -1.04 -0.06 1.58 0.02 0.00 0.00 175.30 175.74 1wh5 n HIS 20 N 5.38 0.00 -2.75 -0.53 -0.00 -1.26 -5.11 115.22 110.95 1wh5 n HIS 20 Ca 0.03 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.18 1wh5 n HIS 20 Cb 0.51 -0.09 -0.03 0.00 -0.12 0.00 0.00 29.99 30.27 1wh5 n HIS 20 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1wh5 n ARG 21 N -3.50 -3.51 -3.26 1.57 0.63 -1.26 -4.99 116.66 102.33 1wh5 n ARG 21 Ca -0.03 2.77 -0.26 0.00 -0.92 0.00 0.00 57.85 59.41 1wh5 n ARG 21 Cb 0.10 -4.21 -0.02 0.00 0.45 0.00 0.00 32.46 28.77 1wh5 n ARG 21 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wh5 s THR 22 N -0.85 5.05 -1.30 5.15 -4.23 -1.26 -4.98 115.64 113.22 1wh5 s THR 22 Ca -0.15 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 59.99 1wh5 s THR 22 Cb 0.01 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1wh5 s THR 22 CO 0.62 -0.52 1.84 1.17 -0.54 0.00 0.00 174.62 177.19 1wh5 n LYS 23 N -1.55 2.93 -2.27 3.99 0.00 -1.26 -4.93 118.16 115.07 1wh5 n LYS 23 Ca -0.03 -3.05 -0.43 0.00 0.00 0.00 0.00 58.31 54.80 1wh5 n LYS 23 Cb 0.55 -3.48 -0.02 0.00 0.00 0.00 0.00 35.03 32.08 1wh5 n LYS 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1wh5 s PHE 24 N 4.84 2.43 0.65 5.64 0.08 -1.26 -5.01 117.98 125.36 1wh5 s PHE 24 Ca 0.55 0.71 -0.04 0.00 0.12 0.00 0.00 56.93 58.26 1wh5 s PHE 24 Cb 0.05 -3.85 0.05 0.00 -0.57 0.00 0.00 43.02 38.71 1wh5 s PHE 24 CO 0.06 -2.38 0.93 -0.08 -0.10 0.00 0.00 175.22 173.64 1wh5 s THR 25 N 4.44 2.47 0.34 0.64 -1.32 -1.26 -4.52 115.64 116.42 1wh5 s THR 25 Ca 0.63 -0.39 0.19 0.00 -1.21 0.00 0.00 61.69 60.91 1wh5 s THR 25 Cb -0.23 -3.02 0.32 0.00 -1.51 0.00 0.00 72.50 68.06 1wh5 s THR 25 CO 0.24 -0.02 1.45 0.00 -2.21 0.00 0.00 174.62 174.08 1wh5 n ALA 26 N -2.71 0.93 0.02 11.08 0.00 -1.26 0.15 120.51 128.73 1wh5 n ALA 26 Ca 0.08 0.94 -0.01 0.00 0.00 0.00 0.00 53.44 54.45 1wh5 n ALA 26 Cb 0.60 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 1wh5 n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wh5 h GLU 27 N 0.00 -0.05 -0.68 0.00 4.81 -1.97 0.48 114.58 117.17 1wh5 h GLU 27 Ca 0.77 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 60.14 1wh5 h GLU 27 Cb 2.04 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 31.34 1wh5 h GLU 27 CO -0.71 -0.04 0.20 1.96 -0.73 0.00 0.00 179.01 179.69 1wh5 h GLN 28 N -0.06 0.32 0.43 1.92 1.08 -1.16 1.62 115.11 119.25 1wh5 h GLN 28 Ca -0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1wh5 h GLN 28 Cb 0.04 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1wh5 h GLN 28 CO 0.01 0.21 -0.29 0.87 -0.95 0.00 0.00 178.83 178.68 1wh5 h LYS 29 N 0.33 -0.66 -0.65 1.46 1.57 0.14 0.42 116.57 119.18 1wh5 h LYS 29 Ca 0.37 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.28 1wh5 h LYS 29 Cb 0.57 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.96 1wh5 h LYS 29 CO -0.43 -0.44 0.29 0.93 -0.57 0.00 0.00 179.45 179.23 1wh5 h GLU 30 N -0.68 0.49 -0.33 3.15 5.08 0.51 0.28 114.58 123.08 1wh5 h GLU 30 Ca -0.06 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1wh5 h GLU 30 Cb 0.56 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1wh5 h GLU 30 CO 0.04 0.32 -0.30 0.00 -1.00 0.00 0.00 179.01 178.08 1wh5 h ARG 31 N 0.50 -0.25 -0.51 2.33 2.47 0.26 0.71 114.38 119.89 1wh5 h ARG 31 Ca 0.32 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.97 1wh5 h ARG 31 Cb 0.35 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1wh5 h ARG 31 CO -0.28 -0.17 0.00 0.52 0.56 0.00 0.00 179.97 180.61 1wh5 h MET 32 N -0.26 0.91 -0.60 0.04 2.86 -0.14 -1.12 114.93 116.61 1wh5 h MET 32 Ca 0.16 -0.29 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1wh5 h MET 32 Cb 0.52 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1wh5 h MET 32 CO -0.48 0.93 0.32 -0.07 1.06 0.00 0.00 176.91 178.67 1wh5 h LEU 33 N 0.77 0.46 -1.08 1.22 3.38 0.70 1.56 115.31 122.33 1wh5 h LEU 33 Ca 0.15 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1wh5 h LEU 33 Cb 0.52 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1wh5 h LEU 33 CO 0.03 0.30 -0.21 0.00 0.09 0.00 0.00 178.44 178.65 1wh5 h ALA 34 N 1.33 1.23 0.07 1.53 0.00 0.60 -0.11 119.26 123.91 1wh5 h ALA 34 Ca 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wh5 h ALA 34 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wh5 h ALA 34 CO -0.18 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.79 1wh5 h LEU 35 N 0.37 -0.08 -0.69 0.00 5.85 0.33 -2.08 115.31 119.00 1wh5 h LEU 35 Ca 0.06 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.38 1wh5 h LEU 35 Cb 0.57 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 1wh5 h LEU 35 CO 0.04 0.51 0.29 0.00 -0.34 0.00 0.00 178.44 178.94 1wh5 h ALA 36 N 0.10 0.94 0.00 1.25 0.00 0.23 1.33 119.26 123.11 1wh5 h ALA 36 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wh5 h ALA 36 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wh5 h ALA 36 CO 0.02 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.51 1wh5 n GLU 37 N -4.95 0.14 -0.14 0.00 1.02 -0.06 0.19 120.64 116.84 1wh5 n GLU 37 Ca 0.11 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 57.12 1wh5 n GLU 37 Cb 0.32 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.39 0.59 0.07 3.49 0.63 0.33 -4.54 116.66 115.84 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 -1.51 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 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 1.46 0.00 5.15 3.07 0.13 -3.48 117.51 122.89 1wh5 h ILE 39 Ca -0.68 -3.12 0.00 0.00 1.55 0.00 0.00 64.86 62.61 1wh5 h ILE 39 Cb 1.62 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.99 1wh5 h ILE 39 CO -0.40 0.87 0.00 0.61 -1.05 0.00 0.00 178.15 178.19 1wh5 n GLY 40 N 1.49 1.86 3.45 0.16 0.00 0.52 -4.43 105.19 108.23 1wh5 n GLY 40 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.84 -2.69 -3.94 1.61 7.02 0.10 -4.97 117.44 113.74 1wh5 n TRP 41 Ca 0.00 0.95 -0.10 0.00 -1.02 0.00 0.00 57.50 57.33 1wh5 n TRP 41 Cb 0.00 -4.76 -0.10 0.00 -2.42 0.00 0.00 31.31 24.03 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 -6.22 0.41 -0.01 -0.99 3.52 -1.26 -4.97 118.95 109.43 1wh5 s ARG 42 Ca 0.54 -0.57 0.08 0.00 -0.13 0.00 0.00 55.73 55.65 1wh5 s ARG 42 Cb -0.24 0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1wh5 s ARG 42 CO 0.68 -0.08 -0.26 0.42 -0.81 0.00 0.00 175.30 175.24 1wh5 s ILE 43 N -1.64 2.06 0.33 4.11 1.01 -1.26 -4.86 121.20 120.96 1wh5 s ILE 43 Ca -0.14 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 1wh5 s ILE 43 Cb -0.08 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1wh5 s ILE 43 CO -0.01 0.56 0.60 -1.10 0.00 0.00 0.00 174.94 174.99 1wh5 s GLN 44 N -0.66 1.94 0.00 2.79 -0.21 -1.26 -5.01 119.66 117.25 1wh5 s GLN 44 Ca 0.10 -1.50 0.19 0.00 0.02 0.00 0.00 55.36 54.17 1wh5 s GLN 44 Cb -0.10 0.52 0.93 0.00 1.00 0.00 0.00 33.01 35.36 1wh5 s GLN 44 CO -0.01 -0.85 1.58 -2.13 -2.12 0.00 0.00 175.29 171.77 1wh5 n ARG 45 N -0.51 0.23 -0.09 2.91 0.00 -1.26 -1.92 116.66 116.03 1wh5 n ARG 45 Ca -0.03 0.12 -0.23 0.00 -0.00 0.00 0.00 57.85 57.71 1wh5 n ARG 45 Cb 0.61 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.45 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1wh5 n GLN 46 N -1.32 0.61 0.07 -0.14 6.02 -1.26 -4.04 117.38 117.32 1wh5 n GLN 46 Ca 0.08 0.46 0.11 0.00 -0.01 0.00 0.00 57.00 57.64 1wh5 n GLN 46 Cb 0.16 -1.70 0.43 0.00 1.02 0.00 0.00 30.24 30.15 1wh5 n GLN 46 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wh5 n ASP 47 N -4.19 0.37 -0.35 1.08 8.00 -1.15 -3.59 116.55 116.72 1wh5 n ASP 47 Ca -0.36 0.58 -0.12 0.00 0.71 0.00 0.00 54.79 55.61 1wh5 n ASP 47 Cb 0.79 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 1wh5 n ASP 47 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wh5 h ASP 48 N 0.00 -2.08 -1.25 -2.24 3.58 -1.52 1.92 116.42 114.82 1wh5 h ASP 48 Ca 0.00 0.31 0.40 0.00 0.42 0.00 0.00 57.03 58.16 1wh5 h ASP 48 Cb 0.38 0.91 -0.12 0.00 1.72 0.00 0.00 39.33 42.22 1wh5 h ASP 48 CO 0.00 -0.27 0.80 1.05 -2.88 0.00 0.00 179.24 177.94 1wh5 h GLU 49 N -0.10 0.14 0.15 0.28 4.11 -1.82 1.56 114.58 118.91 1wh5 h GLU 49 Ca 0.14 -0.01 -0.32 0.00 0.07 0.00 0.00 59.36 59.25 1wh5 h GLU 49 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wh5 h GLU 49 CO -0.86 0.09 -1.57 0.28 0.07 0.00 0.00 179.01 177.03 1wh5 h VAL 50 N 0.14 1.13 0.71 -1.06 2.07 0.19 -2.28 116.25 117.15 1wh5 h VAL 50 Ca 0.78 -2.73 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 1wh5 h VAL 50 Cb 2.35 2.80 0.01 0.00 -1.52 0.00 0.00 31.29 34.93 1wh5 h VAL 50 CO -0.41 0.83 -0.34 0.40 0.02 0.00 0.00 177.57 178.07 1wh5 h ILE 51 N 0.09 0.18 -0.16 4.57 1.08 1.21 1.53 117.51 126.01 1wh5 h ILE 51 Ca -0.26 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1wh5 h ILE 51 Cb 2.05 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 1wh5 h ILE 51 CO 0.18 0.02 0.02 1.56 -0.69 0.00 0.00 178.15 179.24 1wh5 h GLN 52 N -1.13 0.22 -0.00 2.37 4.20 0.14 -1.66 115.11 119.25 1wh5 h GLN 52 Ca -0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1wh5 h GLN 52 Cb 0.76 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1wh5 h GLN 52 CO 0.16 0.22 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.43 1wh5 h ARG 53 N 0.22 0.02 -1.00 1.46 9.65 -1.19 -3.05 114.38 120.49 1wh5 h ARG 53 Ca 0.05 -0.01 0.16 0.00 -1.10 0.00 0.00 59.98 59.08 1wh5 h ARG 53 Cb 0.12 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.60 1wh5 h ARG 53 CO -0.00 0.71 0.62 0.35 2.80 0.00 0.00 179.97 184.45 1wh5 h PHE 54 N -0.67 1.10 0.00 2.20 3.04 0.25 1.28 116.94 124.14 1wh5 h PHE 54 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1wh5 h PHE 54 Cb 0.71 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1wh5 h PHE 54 CO 0.17 0.34 0.00 0.00 -2.02 0.00 0.00 178.31 176.80 1wh5 h GLN 56 N 0.00 0.24 0.11 0.00 -0.00 0.17 0.13 115.11 115.77 1wh5 h GLN 56 Ca 0.00 -0.41 -0.33 0.00 -0.00 0.00 0.00 58.65 57.91 1wh5 h GLN 56 Cb 0.34 0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 1wh5 h GLN 56 CO 0.00 1.18 -1.72 1.05 -0.00 0.00 0.00 178.83 179.34 1wh5 h GLU 57 N 0.07 0.24 0.00 0.06 4.11 -0.52 -3.42 114.58 115.12 1wh5 h GLU 57 Ca -0.14 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1wh5 h GLU 57 Cb 1.96 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1wh5 h GLU 57 CO 0.19 1.09 0.00 0.25 0.07 0.00 0.00 179.01 180.61 1wh5 n THR 58 N -3.42 0.00 0.00 -1.06 -2.24 0.13 -5.04 114.28 102.65 1wh5 n THR 58 Ca -0.22 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1wh5 n THR 58 Cb 1.05 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.80 0.68 3.77 3.38 0.00 0.03 -5.01 105.19 109.84 1wh5 n GLY 59 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.61 3.51 0.29 1.61 1.01 -1.26 -5.00 120.40 118.94 1wh5 s VAL 60 Ca 0.00 1.33 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 1wh5 s VAL 60 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1wh5 s VAL 60 CO 0.00 0.18 1.08 -2.16 0.00 0.00 0.00 175.10 174.20 1wh5 s PRO 61 N -1.98 4.62 0.16 2.72 0.04 -1.26 -4.53 135.00 134.76 1wh5 s PRO 61 Ca 0.52 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 63.07 1wh5 s PRO 61 Cb -0.28 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.17 1wh5 s PRO 61 CO 0.36 0.21 1.61 -0.09 0.04 0.00 0.00 177.00 179.12 1wh5 h ARG 62 N 3.72 -0.25 -1.14 4.56 2.43 -1.94 0.54 114.38 122.30 1wh5 h ARG 62 Ca -0.47 0.02 0.32 0.00 -0.81 0.00 0.00 59.98 59.04 1wh5 h ARG 62 Cb 1.21 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 1wh5 h ARG 62 CO 0.67 -0.17 0.79 0.37 -1.51 0.00 0.00 179.97 180.12 1wh5 h GLN 63 N -0.26 0.13 0.03 0.20 -0.00 -1.99 0.52 115.11 113.74 1wh5 h GLN 63 Ca 0.16 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.76 1wh5 h GLN 63 Cb 0.52 -0.03 0.01 0.00 0.00 0.00 0.00 27.48 27.98 1wh5 h GLN 63 CO -0.49 0.09 -0.19 0.28 0.00 0.00 0.00 178.83 178.51 1wh5 h VAL 64 N 0.13 1.71 -0.10 2.39 2.07 -0.53 -2.52 116.25 119.41 1wh5 h VAL 64 Ca 0.58 -2.33 0.03 0.00 0.82 0.00 0.00 66.70 65.80 1wh5 h VAL 64 Cb 2.02 3.28 -0.00 0.00 -1.52 0.00 0.00 31.29 35.07 1wh5 h VAL 64 CO -0.12 0.62 0.18 0.25 0.02 0.00 0.00 177.57 178.52 1wh5 h LEU 65 N -0.82 0.00 0.01 2.57 7.12 0.29 1.14 115.31 125.62 1wh5 h LEU 65 Ca -0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 1wh5 h LEU 65 Cb 1.13 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1wh5 h LEU 65 CO 0.04 0.00 -0.00 0.50 -0.13 0.00 0.00 178.44 178.84 1wh5 h LYS 66 N 0.00 -0.01 -0.70 1.25 3.64 -0.14 -3.22 116.57 117.39 1wh5 h LYS 66 Ca 0.05 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 1wh5 h LYS 66 Cb 0.40 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 1wh5 h LYS 66 CO -0.00 -0.01 0.30 -0.39 -2.27 0.00 0.00 179.45 177.08 1wh5 h VAL 67 N -0.10 0.76 -0.61 2.00 -1.51 -1.16 -2.03 116.25 113.59 1wh5 h VAL 67 Ca -0.00 -0.17 0.06 0.00 -1.23 0.00 0.00 66.70 65.35 1wh5 h VAL 67 Cb 0.01 0.22 -0.07 0.00 -2.13 0.00 0.00 31.29 29.32 1wh5 h VAL 67 CO 0.00 0.09 -0.36 1.87 -1.23 0.00 0.00 177.57 177.94 1wh5 n TRP 68 N -4.95 -0.27 -0.31 5.19 -0.00 0.39 0.24 117.44 117.73 1wh5 n TRP 68 Ca 0.11 0.77 0.17 0.00 -0.00 0.00 0.00 57.50 58.55 1wh5 n TRP 68 Cb 0.32 -0.54 0.34 0.00 -0.00 0.00 0.00 31.31 31.43 1wh5 n TRP 68 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wh5 h LEU 69 N 0.00 -0.05 -0.53 5.87 3.38 -1.38 1.78 115.31 124.38 1wh5 h LEU 69 Ca 0.10 0.23 -0.14 0.00 0.09 0.00 0.00 57.88 58.15 1wh5 h LEU 69 Cb 0.25 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wh5 h LEU 69 CO -0.58 -0.24 -0.36 -0.74 0.09 0.00 0.00 178.44 176.61 1wh5 h HIS 70 N 0.14 0.95 0.00 1.13 2.76 0.25 1.29 115.15 121.66 1wh5 h HIS 70 Ca 0.61 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1wh5 h HIS 70 Cb 1.32 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1wh5 h HIS 70 CO -0.27 1.04 0.00 -0.91 -1.30 0.00 0.00 177.93 176.49 1wh5 h ASN 71 N 0.66 0.00 0.00 3.26 2.35 1.45 -3.34 115.58 119.97 1wh5 h ASN 71 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1wh5 h ASN 71 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1wh5 h ASN 71 CO 0.08 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.45 1wh5 n ASN 72 N -2.92 0.00 -3.61 5.81 3.02 0.40 -5.00 115.26 112.96 1wh5 n ASN 72 Ca 0.01 0.05 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 1wh5 n ASN 72 Cb 0.29 -0.47 0.19 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.37 -2.91 -3.61 3.52 2.85 0.44 -5.01 118.16 111.06 1wh5 n LYS 73 Ca 0.00 -0.86 -0.28 0.00 -1.05 0.00 0.00 58.31 56.12 1wh5 n LYS 73 Cb 0.00 -1.64 -0.16 0.00 -0.65 0.00 0.00 35.03 32.58 1wh5 n LYS 73 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1wh5 s HIS 74 N -2.11 0.57 -0.44 5.58 3.76 -1.26 -4.78 115.29 116.61 1wh5 s HIS 74 Ca 0.47 -0.82 0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1wh5 s HIS 74 Cb -0.09 -0.96 0.18 0.00 1.11 0.00 0.00 32.58 32.82 1wh5 s HIS 74 CO 0.44 -0.71 0.67 0.45 -0.85 0.00 0.00 174.74 174.73 1wh5 s SER 75 N 2.01 -1.48 0.00 1.40 0.15 -1.26 -5.14 113.70 109.38 1wh5 s SER 75 Ca 0.06 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1wh5 s SER 75 Cb -0.16 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1wh5 s SER 75 CO -0.23 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1wh5 n GLY 76 N 4.00 3.07 3.78 9.45 0.00 -1.26 -5.08 105.19 119.14 1wh5 n GLY 76 Ca 0.13 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1wh5 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh5 s PRO 77 N -2.35 4.23 -0.13 1.61 0.04 -1.26 -5.05 135.00 132.09 1wh5 s PRO 77 Ca 0.00 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 1wh5 s PRO 77 Cb 0.00 -2.64 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1wh5 s PRO 77 CO 0.00 -0.09 0.62 -1.54 0.04 0.00 0.00 177.00 176.03 1wh5 s SER 78 N -1.45 -0.61 -0.18 6.66 1.04 -1.26 -5.16 113.70 112.74 1wh5 s SER 78 Ca 0.56 0.91 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 1wh5 s SER 78 Cb -0.24 0.86 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1wh5 s SER 78 CO 0.30 -0.42 0.41 -0.44 0.98 0.00 0.00 173.24 174.06 1wh5 s SER 79 N -0.52 -0.40 0.00 7.02 0.01 -1.26 -5.25 113.70 113.30 1wh5 s SER 79 Ca -0.06 0.91 0.19 0.00 1.31 0.00 0.00 55.95 58.30 1wh5 s SER 79 Cb -0.03 0.94 1.16 0.00 0.21 0.00 0.00 66.02 68.31 1wh5 s SER 79 CO 0.05 -0.21 1.55 0.61 0.41 0.00 0.00 173.24 175.66