#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 -0.55 0.32 1.61 1.04 -1.26 -5.17 113.70 109.69 1wh5 s SER 2 Ca 0.00 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.33 1wh5 s SER 2 Cb 0.00 0.83 -0.06 0.00 0.10 0.00 0.00 66.02 66.89 1wh5 s SER 2 CO 0.00 -0.07 -0.12 -0.44 0.98 0.00 0.00 173.24 173.59 1wh5 s SER 3 N 2.16 3.57 0.00 7.02 0.01 -1.26 -5.08 113.70 120.11 1wh5 s SER 3 Ca 0.17 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1wh5 s SER 3 Cb 0.01 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1wh5 s SER 3 CO -0.16 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wh5 n GLY 4 N -0.71 -0.03 1.92 3.44 0.00 -1.26 -5.15 105.19 103.39 1wh5 n GLY 4 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1wh5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh5 n SER 5 N 0.00 -8.66 -3.69 1.61 7.64 -1.26 -5.02 113.62 104.23 1wh5 n SER 5 Ca 0.00 1.29 -0.05 0.00 1.01 0.00 0.00 58.87 61.12 1wh5 n SER 5 Cb 0.00 -4.79 -0.02 0.00 -1.01 0.00 0.00 64.21 58.39 1wh5 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh5 s SER 6 N -0.85 -0.24 0.00 6.43 1.04 -1.26 -4.87 113.70 113.96 1wh5 s SER 6 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1wh5 s SER 6 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1wh5 s SER 6 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1wh5 n GLY 7 N -0.42 -0.16 0.00 7.32 0.00 -1.26 -5.09 105.19 105.59 1wh5 n GLY 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.62 0.00 -2.41 1.61 7.64 -1.26 -5.12 113.62 112.46 1wh5 n SER 8 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1wh5 n SER 8 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wh5 n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh5 n SER 9 N 0.00 -7.48 0.19 6.43 2.88 -1.26 -4.94 113.62 109.43 1wh5 n SER 9 Ca 0.00 1.75 -0.08 0.00 -1.33 0.00 0.00 58.87 59.21 1wh5 n SER 9 Cb 0.00 -5.11 -0.04 0.00 -0.75 0.00 0.00 64.21 58.32 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh5 h ALA 10 N 4.29 -0.61 0.00 -1.46 0.00 -2.05 -3.49 119.26 115.95 1wh5 h ALA 10 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wh5 h ALA 10 Cb 0.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1wh5 h ALA 10 CO 0.00 -0.57 0.00 -1.91 0.00 0.00 0.00 179.25 176.78 1wh5 n GLU 11 N -4.71 0.00 -3.48 0.00 0.00 -1.26 -5.15 120.64 106.04 1wh5 n GLU 11 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.99 1wh5 n GLU 11 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.63 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wh5 s ALA 12 N -2.00 -1.70 -0.36 4.31 0.00 -1.26 -5.14 121.76 115.61 1wh5 s ALA 12 Ca 0.00 0.71 0.06 0.00 0.00 0.00 0.00 51.96 52.73 1wh5 s ALA 12 Cb 0.00 0.66 0.19 0.00 0.00 0.00 0.00 23.12 23.97 1wh5 s ALA 12 CO 0.00 -0.74 0.64 0.20 0.00 0.00 0.00 175.76 175.85 1wh5 s GLY 13 N -2.63 -1.27 0.42 0.00 0.00 -1.26 -5.12 107.32 97.46 1wh5 s GLY 13 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1wh5 s GLY 13 CO -0.10 3.71 0.00 0.61 0.00 0.00 0.00 173.10 177.31 1wh5 n GLY 14 N 4.81 -4.33 2.39 0.20 0.00 -1.26 -4.56 105.19 102.43 1wh5 n GLY 14 Ca 0.08 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.87 4.49 3.04 -0.02 0.00 -1.26 -4.81 105.19 105.76 1wh5 n GLY 15 Ca 0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 1.45 2.32 0.24 -0.61 1.09 -1.26 -5.09 121.20 119.34 1wh5 s ILE 16 Ca 0.64 -2.20 0.09 0.00 -1.10 0.00 0.00 60.65 58.08 1wh5 s ILE 16 Cb 0.18 -2.65 -0.05 0.00 -1.06 0.00 0.00 42.46 38.88 1wh5 s ILE 16 CO -0.07 -0.50 -0.16 -0.13 -0.10 0.00 0.00 174.94 173.98 1wh5 s ARG 17 N 0.95 1.48 0.41 2.79 0.52 -1.26 -4.92 118.95 118.92 1wh5 s ARG 17 Ca 0.07 -1.67 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 1wh5 s ARG 17 Cb -0.19 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 33.91 1wh5 s ARG 17 CO -0.07 0.22 0.00 1.17 0.02 0.00 0.00 175.30 176.64 1wh5 n LYS 18 N -0.49 -2.27 -2.18 3.54 0.00 -1.26 -4.96 118.16 110.54 1wh5 n LYS 18 Ca -0.07 1.85 -0.00 0.00 0.00 0.00 0.00 58.31 60.09 1wh5 n LYS 18 Cb 0.60 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1wh5 n LYS 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1wh5 n ARG 19 N -3.40 -0.62 -3.65 1.64 0.63 -1.26 -4.26 116.66 105.75 1wh5 n ARG 19 Ca -0.06 0.96 -0.21 0.00 -0.92 0.00 0.00 57.85 57.62 1wh5 n ARG 19 Cb 0.44 -3.39 0.00 0.00 0.45 0.00 0.00 32.46 29.97 1wh5 n ARG 19 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1wh5 n HIS 20 N -1.27 -2.19 -2.67 -0.14 8.25 -1.26 -4.91 115.22 111.04 1wh5 n HIS 20 Ca 0.00 0.82 -0.04 0.00 -0.26 0.00 0.00 57.72 58.24 1wh5 n HIS 20 Cb 0.48 -3.10 0.02 0.00 1.12 0.00 0.00 29.99 28.51 1wh5 n HIS 20 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1wh5 n ARG 21 N -2.72 0.39 -4.34 -0.41 3.00 -1.26 -5.13 116.66 106.18 1wh5 n ARG 21 Ca -0.22 -0.93 -0.25 0.00 -0.00 0.00 0.00 57.85 56.44 1wh5 n ARG 21 Cb 0.64 -0.04 -0.09 0.00 0.00 0.00 0.00 32.46 32.97 1wh5 n ARG 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wh5 s THR 22 N 0.07 3.05 -0.47 5.15 -4.23 -1.26 -3.99 115.64 113.96 1wh5 s THR 22 Ca 0.08 -1.92 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1wh5 s THR 22 Cb 0.14 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.69 1wh5 s THR 22 CO -0.04 -0.25 0.93 0.29 -0.54 0.00 0.00 174.62 175.01 1wh5 n LYS 23 N -0.36 0.87 -2.51 3.99 4.76 -1.26 -5.11 118.16 118.53 1wh5 n LYS 23 Ca -0.08 -1.99 -0.43 0.00 -2.87 0.00 0.00 58.31 52.93 1wh5 n LYS 23 Cb 0.57 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.26 2.89 0.71 2.13 0.08 -1.26 -5.02 117.98 117.77 1wh5 s PHE 24 Ca 0.29 1.01 -0.04 0.00 0.12 0.00 0.00 56.93 58.31 1wh5 s PHE 24 Cb 0.25 -3.78 0.10 0.00 -0.57 0.00 0.00 43.02 39.02 1wh5 s PHE 24 CO -0.16 -1.34 1.00 -0.08 -0.10 0.00 0.00 175.22 174.54 1wh5 s THR 25 N 3.99 2.27 0.23 0.64 -1.32 -1.26 -4.49 115.64 115.70 1wh5 s THR 25 Ca 0.52 -0.43 -0.06 0.00 -1.21 0.00 0.00 61.69 60.51 1wh5 s THR 25 Cb -0.15 -2.84 0.37 0.00 -1.51 0.00 0.00 72.50 68.37 1wh5 s THR 25 CO 0.19 0.00 1.27 0.00 -2.21 0.00 0.00 174.62 173.87 1wh5 n ALA 26 N -2.88 0.21 -0.15 11.08 0.00 -1.26 0.18 120.51 127.69 1wh5 n ALA 26 Ca 0.11 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.45 1wh5 n ALA 26 Cb 0.60 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -5.32 0.00 -0.26 0.00 2.13 -1.26 0.16 120.64 116.10 1wh5 n GLU 27 Ca 0.13 0.51 0.06 0.00 0.66 0.00 0.00 57.16 58.52 1wh5 n GLU 27 Cb 0.42 -1.42 0.17 0.00 0.27 0.00 0.00 31.44 30.87 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 0.13 0.58 5.31 1.08 -1.32 1.68 115.11 122.57 1wh5 h GLN 28 Ca 0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1wh5 h GLN 28 Cb 0.00 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1wh5 h GLN 28 CO 0.00 0.08 -0.35 -0.22 -0.95 0.00 0.00 178.83 177.39 1wh5 h LYS 29 N 0.13 -0.84 -0.97 1.46 3.64 0.21 0.43 116.57 120.62 1wh5 h LYS 29 Ca 0.42 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 60.01 1wh5 h LYS 29 Cb 0.75 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.68 1wh5 h LYS 29 CO -0.64 -0.56 0.61 0.93 -2.27 0.00 0.00 179.45 177.52 1wh5 h GLU 30 N -0.87 0.80 0.42 1.90 5.08 0.27 0.18 114.58 122.37 1wh5 h GLU 30 Ca -0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1wh5 h GLU 30 Cb 0.69 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1wh5 h GLU 30 CO 0.09 0.53 -0.40 0.00 -1.00 0.00 0.00 179.01 178.23 1wh5 h ARG 31 N 0.83 -0.80 -0.69 2.33 2.47 0.29 0.12 114.38 118.92 1wh5 h ARG 31 Ca 0.51 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.28 1wh5 h ARG 31 Cb 0.70 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 1wh5 h ARG 31 CO -0.28 -0.53 0.43 0.52 0.56 0.00 0.00 179.97 180.66 1wh5 h MET 32 N -0.83 0.93 -0.46 0.04 2.86 -0.08 -0.35 114.93 117.04 1wh5 h MET 32 Ca -0.04 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1wh5 h MET 32 Cb 0.73 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 1wh5 h MET 32 CO -0.05 0.65 0.07 -0.07 1.06 0.00 0.00 176.91 178.57 1wh5 h LEU 33 N 0.94 -0.03 -1.07 1.22 3.38 -0.33 1.56 115.31 120.97 1wh5 h LEU 33 Ca 0.25 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 1wh5 h LEU 33 Cb -0.05 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1wh5 h LEU 33 CO -0.05 0.02 0.02 0.00 0.09 0.00 0.00 178.44 178.52 1wh5 h ALA 34 N 1.36 1.23 0.01 1.53 0.00 -0.28 0.11 119.26 123.22 1wh5 h ALA 34 Ca 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wh5 h ALA 34 Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wh5 h ALA 34 CO -0.31 0.51 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 1wh5 h LEU 35 N 0.65 -0.02 -0.44 0.00 5.85 0.90 0.94 115.31 123.19 1wh5 h LEU 35 Ca 0.13 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1wh5 h LEU 35 Cb 0.38 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1wh5 h LEU 35 CO 0.01 0.41 0.17 0.00 -0.34 0.00 0.00 178.44 178.69 1wh5 h ALA 36 N 0.53 0.53 0.00 1.25 0.00 0.23 1.02 119.26 122.83 1wh5 h ALA 36 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wh5 h ALA 36 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wh5 h ALA 36 CO 0.00 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.43 1wh5 n GLU 37 N -4.98 0.14 -0.12 0.00 1.02 0.35 0.19 120.64 117.24 1wh5 n GLU 37 Ca 0.03 0.13 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 1wh5 n GLU 37 Cb 0.15 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 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 0.57 0.04 3.49 0.63 0.11 -4.50 116.66 115.60 1wh5 n ARG 38 Ca 0.07 0.43 -0.11 0.00 -0.92 0.00 0.00 57.85 57.32 1wh5 n ARG 38 Cb 0.20 -1.63 -0.13 0.00 0.45 0.00 0.00 32.46 31.35 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 1.25 0.00 5.15 3.07 0.87 -3.48 117.51 123.36 1wh5 h ILE 39 Ca -0.45 -2.97 0.00 0.00 1.55 0.00 0.00 64.86 62.98 1wh5 h ILE 39 Cb 1.37 2.69 0.00 0.00 -0.27 0.00 0.00 36.82 40.61 1wh5 h ILE 39 CO -0.27 0.78 0.00 0.61 -1.05 0.00 0.00 178.15 178.21 1wh5 n GLY 40 N 1.53 1.91 2.63 0.16 0.00 0.51 -4.36 105.19 107.57 1wh5 n GLY 40 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.60 0.00 -4.37 1.61 7.02 0.29 -4.95 117.44 116.43 1wh5 n TRP 41 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.19 1wh5 n TRP 41 Cb 0.00 -1.87 -0.12 0.00 -2.42 0.00 0.00 31.31 26.90 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 -2.08 1.50 0.07 -0.99 3.52 -1.26 -4.90 118.95 114.81 1wh5 s ARG 42 Ca 0.00 -1.33 0.09 0.00 -0.13 0.00 0.00 55.73 54.36 1wh5 s ARG 42 Cb 0.00 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 1wh5 s ARG 42 CO 0.00 0.45 -0.25 0.42 -0.81 0.00 0.00 175.30 175.12 1wh5 s ILE 43 N -1.14 2.00 0.37 4.11 1.01 -1.26 -4.79 121.20 121.50 1wh5 s ILE 43 Ca 0.16 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 1wh5 s ILE 43 Cb -0.10 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1wh5 s ILE 43 CO 0.07 0.23 0.79 -1.10 0.00 0.00 0.00 174.94 174.94 1wh5 s GLN 44 N -1.45 2.16 0.02 2.79 -0.21 -1.26 -5.00 119.66 116.71 1wh5 s GLN 44 Ca 0.11 -1.37 0.12 0.00 0.02 0.00 0.00 55.36 54.23 1wh5 s GLN 44 Cb -0.10 0.62 0.52 0.00 1.00 0.00 0.00 33.01 35.05 1wh5 s GLN 44 CO 0.03 -1.01 1.39 2.89 -2.12 0.00 0.00 175.29 176.46 1wh5 n ARG 45 N -0.53 0.01 -0.09 2.91 -4.01 -1.26 -0.82 116.66 112.88 1wh5 n ARG 45 Ca -0.08 0.32 -0.14 0.00 -1.04 0.00 0.00 57.85 56.91 1wh5 n ARG 45 Cb 0.60 -1.53 -0.08 0.00 -3.04 0.00 0.00 32.46 28.41 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 1wh5 h GLN 46 N 0.00 0.00 0.00 2.89 1.08 -2.01 -3.35 115.11 113.72 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 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1wh5 h GLN 46 CO 0.00 0.65 0.00 -0.44 -0.95 0.00 0.00 178.83 178.09 1wh5 h ASP 47 N -1.00 0.00 -0.95 1.46 3.32 -1.90 -3.16 116.42 114.19 1wh5 h ASP 47 Ca -0.17 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.11 1wh5 h ASP 47 Cb 0.93 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.30 1wh5 h ASP 47 CO -0.10 0.00 -0.05 -0.78 -1.72 0.00 0.00 179.24 176.59 1wh5 h ASP 48 N 0.00 -0.58 -0.67 6.45 3.58 -1.11 1.80 116.42 125.90 1wh5 h ASP 48 Ca 0.00 0.27 0.09 0.00 0.42 0.00 0.00 57.03 57.82 1wh5 h ASP 48 Cb 0.42 0.50 -0.07 0.00 1.72 0.00 0.00 39.33 41.90 1wh5 h ASP 48 CO 0.00 -0.32 0.31 -0.08 -2.88 0.00 0.00 179.24 176.26 1wh5 h GLU 49 N 0.02 0.51 -0.12 0.28 4.81 -1.78 0.54 114.58 118.84 1wh5 h GLU 49 Ca 0.54 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.54 1wh5 h GLU 49 Cb 1.03 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.30 1wh5 h GLU 49 CO -0.91 0.34 -0.69 0.28 -0.73 0.00 0.00 179.01 177.29 1wh5 h VAL 50 N 0.53 1.31 0.00 0.32 2.07 0.17 -1.63 116.25 119.01 1wh5 h VAL 50 Ca 0.33 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1wh5 h VAL 50 Cb 0.37 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1wh5 h VAL 50 CO -0.28 0.60 0.00 -0.38 0.02 0.00 0.00 177.57 177.53 1wh5 n ILE 51 N -4.05 0.00 -0.28 4.57 2.08 0.50 0.19 119.36 122.37 1wh5 n ILE 51 Ca -0.08 1.42 0.10 0.00 0.56 0.00 0.00 62.75 64.75 1wh5 n ILE 51 Cb 0.70 -2.35 0.25 0.00 -0.75 0.00 0.00 39.64 37.49 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 0.26 -0.17 0.38 4.15 -0.09 0.23 115.11 119.87 1wh5 h GLN 52 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wh5 h GLN 52 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1wh5 h GLN 52 CO 0.00 0.17 0.10 -0.09 -1.93 0.00 0.00 178.83 177.08 1wh5 h ARG 53 N 0.27 0.23 0.00 1.69 9.65 -1.12 -1.50 114.38 123.60 1wh5 h ARG 53 Ca 0.50 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.35 1wh5 h ARG 53 Cb 0.94 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1wh5 h ARG 53 CO -0.58 0.20 -0.02 0.35 2.80 0.00 0.00 179.97 182.72 1wh5 h PHE 54 N 0.20 0.00 0.00 2.20 3.04 0.50 0.37 116.94 123.25 1wh5 h PHE 54 Ca 0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1wh5 h PHE 54 Cb 0.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.54 1wh5 h PHE 54 CO -0.05 0.02 0.00 0.00 -2.02 0.00 0.00 178.31 176.26 1wh5 n GLN 56 N -1.70 0.38 -0.05 0.00 -0.00 0.13 -1.05 117.38 115.08 1wh5 n GLN 56 Ca 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.00 56.98 1wh5 n GLN 56 Cb 0.31 -1.56 -0.16 0.00 -0.00 0.00 0.00 30.24 28.83 1wh5 n GLN 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1wh5 n GLU 57 N -2.02 0.67 -0.06 2.61 0.28 -1.00 -4.60 120.64 116.53 1wh5 n GLU 57 Ca 0.00 -0.07 -0.08 0.00 -0.16 0.00 0.00 57.16 56.86 1wh5 n GLU 57 Cb 0.47 -1.54 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 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 -2.56 0.66 -0.37 3.84 -2.24 -0.27 -5.02 114.28 108.32 1wh5 n THR 58 Ca -0.20 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1wh5 n THR 58 Cb 0.90 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 2.89 0.70 3.77 3.38 0.00 -0.22 -5.04 105.19 110.67 1wh5 n GLY 59 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.64 3.51 0.37 1.61 1.01 -1.25 -4.98 120.40 118.03 1wh5 s VAL 60 Ca 0.00 1.39 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 1wh5 s VAL 60 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1wh5 s VAL 60 CO 0.00 0.23 1.06 -2.16 0.00 0.00 0.00 175.10 174.23 1wh5 s PRO 61 N -1.83 4.29 0.12 2.72 0.04 -1.26 -4.50 135.00 134.58 1wh5 s PRO 61 Ca 0.49 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1wh5 s PRO 61 Cb -0.29 -2.72 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 1wh5 s PRO 61 CO 0.37 -0.05 1.59 -0.09 0.04 0.00 0.00 177.00 178.86 1wh5 h ARG 62 N 2.85 -0.55 -1.31 4.56 2.43 -1.94 0.46 114.38 120.88 1wh5 h ARG 62 Ca -0.48 0.04 0.38 0.00 -0.81 0.00 0.00 59.98 59.11 1wh5 h ARG 62 Cb 1.21 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.81 1wh5 h ARG 62 CO 0.64 -0.37 0.91 0.37 -1.51 0.00 0.00 179.97 180.00 1wh5 h GLN 63 N -0.57 0.10 0.02 0.20 4.15 -1.99 0.47 115.11 117.48 1wh5 h GLN 63 Ca 0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1wh5 h GLN 63 Cb 0.65 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1wh5 h GLN 63 CO -0.31 0.06 -0.01 0.28 -1.93 0.00 0.00 178.83 176.93 1wh5 h VAL 64 N 0.10 1.31 -0.22 2.39 2.07 -1.12 -2.31 116.25 118.47 1wh5 h VAL 64 Ca 0.68 -1.88 0.06 0.00 0.82 0.00 0.00 66.70 66.38 1wh5 h VAL 64 Cb 2.41 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 34.60 1wh5 h VAL 64 CO -0.14 0.43 0.39 0.25 0.02 0.00 0.00 177.57 178.51 1wh5 h LEU 65 N -0.96 0.00 0.00 2.57 7.12 0.31 1.18 115.31 125.53 1wh5 h LEU 65 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1wh5 h LEU 65 Cb 0.72 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1wh5 h LEU 65 CO 0.00 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.48 1wh5 n LYS 66 N -3.35 0.00 -0.24 1.25 4.81 0.13 -3.53 118.16 117.23 1wh5 n LYS 66 Ca 0.03 0.39 0.04 0.00 -0.87 0.00 0.00 58.31 57.90 1wh5 n LYS 66 Cb 0.50 -0.89 0.16 0.00 0.02 0.00 0.00 35.03 34.83 1wh5 n LYS 66 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1wh5 h VAL 67 N 0.00 0.54 -0.67 3.15 -1.51 -1.04 -1.15 116.25 115.56 1wh5 h VAL 67 Ca 0.00 -0.09 0.06 0.00 -1.23 0.00 0.00 66.70 65.44 1wh5 h VAL 67 Cb 0.00 0.26 -0.08 0.00 -2.13 0.00 0.00 31.29 29.34 1wh5 h VAL 67 CO 0.00 0.05 -0.39 1.87 -1.23 0.00 0.00 177.57 177.86 1wh5 n TRP 68 N -5.16 -0.29 -0.29 5.19 -0.00 0.40 0.24 117.44 117.53 1wh5 n TRP 68 Ca 0.13 0.83 0.05 0.00 -0.00 0.00 0.00 57.50 58.51 1wh5 n TRP 68 Cb 0.42 -0.54 0.14 0.00 -0.00 0.00 0.00 31.31 31.34 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 -0.60 -0.47 5.87 3.38 -1.25 1.38 115.31 123.61 1wh5 h LEU 69 Ca 0.11 0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 1wh5 h LEU 69 Cb 0.27 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1wh5 h LEU 69 CO -0.63 -0.26 0.12 -0.74 0.09 0.00 0.00 178.44 177.03 1wh5 h HIS 70 N 0.03 0.78 0.00 1.13 2.76 0.22 1.44 115.15 121.52 1wh5 h HIS 70 Ca 0.43 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 1wh5 h HIS 70 Cb 0.72 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1wh5 h HIS 70 CO -0.56 0.71 -0.08 -0.91 -1.30 0.00 0.00 177.93 175.78 1wh5 h ASN 71 N 0.63 0.00 0.00 3.26 2.35 0.94 -3.29 115.58 119.47 1wh5 h ASN 71 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1wh5 h ASN 71 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1wh5 h ASN 71 CO 0.00 0.08 0.00 0.59 -1.65 0.00 0.00 177.43 176.45 1wh5 n ASN 72 N -3.83 0.00 -4.06 5.81 3.02 0.41 -4.97 115.26 111.63 1wh5 n ASN 72 Ca -0.02 0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 1wh5 n ASN 72 Cb 0.18 -0.34 0.16 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.87 -1.70 -3.47 3.52 2.85 0.48 -4.98 118.16 112.99 1wh5 n LYS 73 Ca 0.00 -0.49 -0.28 0.00 -1.05 0.00 0.00 58.31 56.50 1wh5 n LYS 73 Cb 0.00 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 32.69 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 -2.17 1.28 -0.43 5.58 3.76 -1.26 -4.76 115.29 117.29 1wh5 s HIS 74 Ca 0.49 -2.28 -0.28 0.00 -0.15 0.00 0.00 55.06 52.84 1wh5 s HIS 74 Cb -0.08 -1.13 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1wh5 s HIS 74 CO 0.58 -0.80 1.70 0.45 -0.85 0.00 0.00 174.74 175.82 1wh5 s SER 75 N 0.15 5.85 0.00 1.40 0.15 -1.26 -4.91 113.70 115.08 1wh5 s SER 75 Ca 0.28 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1wh5 s SER 75 Cb -0.04 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1wh5 s SER 75 CO -0.14 -1.81 0.02 0.61 1.20 0.00 0.00 173.24 173.12 1wh5 n GLY 76 N 5.40 1.43 3.12 9.45 0.00 -1.26 -4.48 105.19 118.85 1wh5 n GLY 76 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1wh5 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh5 n PRO 77 N -0.27 2.23 -3.65 1.61 -0.04 -1.26 -4.73 135.00 128.89 1wh5 n PRO 77 Ca 0.00 -2.41 -0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1wh5 n PRO 77 Cb 0.00 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.15 1wh5 n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wh5 s SER 78 N 4.50 -0.25 0.29 3.54 0.01 -1.26 -5.18 113.70 115.36 1wh5 s SER 78 Ca 0.55 0.40 0.09 0.00 1.31 0.00 0.00 55.95 58.30 1wh5 s SER 78 Cb 0.10 1.01 -0.04 0.00 0.21 0.00 0.00 66.02 67.30 1wh5 s SER 78 CO 0.05 -0.06 0.04 -0.94 0.41 0.00 0.00 173.24 172.73 1wh5 s SER 79 N 1.03 4.57 0.00 2.44 1.04 -1.26 -4.96 113.70 116.55 1wh5 s SER 79 Ca -0.07 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1wh5 s SER 79 Cb -0.03 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.29 1wh5 s SER 79 CO -0.12 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.61