#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 3.82 -0.42 1.61 0.01 -1.26 -4.38 113.70 113.09 1wh5 s SER 2 Ca 0.00 1.76 -0.19 0.00 1.31 0.00 0.00 55.95 58.83 1wh5 s SER 2 Cb 0.00 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.84 1wh5 s SER 2 CO 0.00 -2.46 0.56 -0.24 0.41 0.00 0.00 173.24 171.51 1wh5 n SER 3 N -3.79 -7.48 0.00 2.44 2.88 -1.26 -4.92 113.62 101.49 1wh5 n SER 3 Ca 0.09 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1wh5 n SER 3 Cb 0.54 -4.62 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 1wh5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh5 n GLY 4 N -0.18 -0.17 3.15 0.46 0.00 -1.26 -5.15 105.19 102.03 1wh5 n GLY 4 Ca 0.07 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.77 -0.03 1.61 0.01 -1.26 -5.01 113.70 108.24 1wh5 s SER 5 Ca 0.00 0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.64 1wh5 s SER 5 Cb 0.00 1.62 0.01 0.00 0.21 0.00 0.00 66.02 67.86 1wh5 s SER 5 CO 0.00 -0.14 0.06 -1.20 0.41 0.00 0.00 173.24 172.37 1wh5 n SER 6 N 5.42 -6.19 -4.51 2.44 7.64 -1.26 -5.05 113.62 112.12 1wh5 n SER 6 Ca -0.03 1.62 -0.25 0.00 1.01 0.00 0.00 58.87 61.23 1wh5 n SER 6 Cb 0.53 -4.69 -0.11 0.00 -1.01 0.00 0.00 64.21 58.94 1wh5 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh5 s GLY 7 N -0.53 2.13 -0.41 0.23 0.00 -1.26 -5.12 107.32 102.36 1wh5 s GLY 7 Ca -0.07 -2.07 0.06 0.00 0.00 0.00 0.00 44.72 42.63 1wh5 s GLY 7 CO 0.20 -1.97 0.52 -0.45 0.00 0.00 0.00 173.10 171.40 1wh5 s SER 8 N -3.57 -0.24 -0.12 1.64 0.15 -1.26 -5.13 113.70 105.18 1wh5 s SER 8 Ca 0.32 -1.43 -0.28 0.00 0.70 0.00 0.00 55.95 55.27 1wh5 s SER 8 Cb 0.05 1.22 0.07 0.00 -1.71 0.00 0.00 66.02 65.65 1wh5 s SER 8 CO 0.15 -0.19 0.67 -0.44 1.20 0.00 0.00 173.24 174.63 1wh5 s SER 9 N 1.39 -0.66 -0.40 5.45 0.01 -1.26 -5.11 113.70 113.12 1wh5 s SER 9 Ca 0.20 0.91 0.03 0.00 1.31 0.00 0.00 55.95 58.40 1wh5 s SER 9 Cb -0.07 0.81 0.16 0.00 0.21 0.00 0.00 66.02 67.13 1wh5 s SER 9 CO -0.06 -0.48 0.31 0.00 0.41 0.00 0.00 173.24 173.42 1wh5 s ALA 10 N -0.69 1.24 -0.34 1.44 0.00 -1.26 -4.98 121.76 117.17 1wh5 s ALA 10 Ca -0.08 -2.29 -0.14 0.00 0.00 0.00 0.00 51.96 49.45 1wh5 s ALA 10 Cb -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.52 1wh5 s ALA 10 CO 0.07 -2.01 0.37 0.39 0.00 0.00 0.00 175.76 174.58 1wh5 n GLU 11 N 3.13 -2.30 -3.74 0.00 1.02 -1.26 -5.04 120.64 112.45 1wh5 n GLU 11 Ca 0.26 1.98 -0.04 0.00 -0.02 0.00 0.00 57.16 59.33 1wh5 n GLU 11 Cb 0.45 -4.20 -0.01 0.00 -0.02 0.00 0.00 31.44 27.66 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 -1.89 -1.61 0.00 0.62 0.00 -1.26 -5.16 121.76 112.46 1wh5 s ALA 12 Ca 0.18 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1wh5 s ALA 12 Cb -0.04 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1wh5 s ALA 12 CO 0.69 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1wh5 n GLY 13 N -0.45 1.32 3.75 0.00 0.00 -1.26 -5.14 105.19 103.41 1wh5 n GLY 13 Ca -0.06 0.48 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 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 0.92 3.10 -0.02 0.00 -1.26 -4.87 105.19 103.06 1wh5 n GLY 14 Ca 0.00 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 0.63 3.76 3.14 -0.02 0.00 -1.26 -4.90 105.19 106.54 1wh5 n GLY 15 Ca 0.06 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 3.00 2.41 -0.45 -0.61 1.10 -1.26 -5.08 121.20 120.31 1wh5 s ILE 16 Ca 0.48 -1.16 -0.15 0.00 -0.51 0.00 0.00 60.65 59.31 1wh5 s ILE 16 Cb 0.08 -2.21 0.05 0.00 0.15 0.00 0.00 42.46 40.54 1wh5 s ILE 16 CO -0.01 0.25 0.35 -0.60 -2.11 0.00 0.00 174.94 172.82 1wh5 s ARG 17 N 1.25 2.96 0.53 3.50 3.52 -1.26 -5.06 118.95 124.40 1wh5 s ARG 17 Ca -0.01 -1.24 0.06 0.00 -0.13 0.00 0.00 55.73 54.42 1wh5 s ARG 17 Cb -0.16 -4.06 0.04 0.00 -1.56 0.00 0.00 34.95 29.20 1wh5 s ARG 17 CO -0.07 -0.92 0.45 -1.59 -0.81 0.00 0.00 175.30 172.35 1wh5 s LYS 18 N 1.65 2.29 0.00 5.12 -2.85 -1.26 -5.12 119.74 119.56 1wh5 s LYS 18 Ca 0.04 -1.91 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 1wh5 s LYS 18 Cb -0.22 -2.20 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1wh5 s LYS 18 CO 0.08 -0.59 0.00 -2.13 0.10 0.00 0.00 175.35 172.81 1wh5 n ARG 19 N -1.79 0.00 0.00 1.78 0.63 -1.26 -5.07 116.66 110.95 1wh5 n ARG 19 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1wh5 n ARG 19 Cb 0.64 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.55 1wh5 n ARG 19 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1wh5 n HIS 20 N 0.00 0.00 -2.74 -0.14 -0.00 -1.26 -4.92 115.22 106.17 1wh5 n HIS 20 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1wh5 n HIS 20 Cb 0.00 -0.49 0.02 0.00 -0.12 0.00 0.00 29.99 29.39 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 -2.02 0.20 0.31 1.57 3.52 -1.26 -5.17 118.95 116.10 1wh5 s ARG 21 Ca 0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1wh5 s ARG 21 Cb 0.00 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1wh5 s ARG 21 CO 0.00 -0.28 0.52 0.95 -0.81 0.00 0.00 175.30 175.69 1wh5 s THR 22 N 1.62 5.10 -0.42 4.11 -4.23 -1.26 -5.06 115.64 115.50 1wh5 s THR 22 Ca 0.18 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.46 1wh5 s THR 22 Cb 0.06 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.35 1wh5 s THR 22 CO -0.13 -0.43 0.66 0.29 -0.54 0.00 0.00 174.62 174.46 1wh5 n LYS 23 N -1.37 0.76 -2.31 3.99 4.76 -1.26 -5.10 118.16 117.63 1wh5 n LYS 23 Ca -0.04 -2.78 -0.43 0.00 -2.87 0.00 0.00 58.31 52.20 1wh5 n LYS 23 Cb 0.55 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 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 -0.70 2.51 0.64 2.13 0.08 -1.26 -5.01 117.98 116.38 1wh5 s PHE 24 Ca 0.34 0.77 -0.04 0.00 0.12 0.00 0.00 56.93 58.11 1wh5 s PHE 24 Cb 0.20 -3.84 0.04 0.00 -0.57 0.00 0.00 43.02 38.86 1wh5 s PHE 24 CO -0.14 -2.19 0.93 -0.08 -0.10 0.00 0.00 175.22 173.64 1wh5 s THR 25 N 4.38 2.62 0.31 0.64 -1.32 -1.26 -4.52 115.64 116.50 1wh5 s THR 25 Ca 0.61 -0.33 0.14 0.00 -1.21 0.00 0.00 61.69 60.90 1wh5 s THR 25 Cb -0.21 -3.08 0.33 0.00 -1.51 0.00 0.00 72.50 68.02 1wh5 s THR 25 CO 0.23 -0.08 1.39 0.00 -2.21 0.00 0.00 174.62 173.96 1wh5 n ALA 26 N -2.71 0.80 0.05 11.08 0.00 -1.26 0.16 120.51 128.63 1wh5 n ALA 26 Ca 0.07 0.91 -0.02 0.00 0.00 0.00 0.00 53.44 54.41 1wh5 n ALA 26 Cb 0.60 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.13 -0.69 0.00 4.81 -1.97 0.64 114.58 117.24 1wh5 h GLU 27 Ca 0.70 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 60.06 1wh5 h GLU 27 Cb 1.77 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 31.09 1wh5 h GLU 27 CO -0.72 -0.09 0.23 1.96 -0.73 0.00 0.00 179.01 179.67 1wh5 h GLN 28 N -0.15 0.37 0.44 1.92 1.08 -1.07 1.58 115.11 119.28 1wh5 h GLN 28 Ca -0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1wh5 h GLN 28 Cb 0.11 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1wh5 h GLN 28 CO 0.02 0.25 -0.29 -0.22 -0.95 0.00 0.00 178.83 177.64 1wh5 h LYS 29 N 0.38 -0.67 -0.67 1.46 3.64 0.16 0.62 116.57 121.49 1wh5 h LYS 29 Ca 0.37 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.88 1wh5 h LYS 29 Cb 0.54 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 1wh5 h LYS 29 CO -0.39 -0.45 0.31 0.93 -2.27 0.00 0.00 179.45 177.59 1wh5 h GLU 30 N -0.69 0.52 -0.36 1.90 5.08 0.77 0.25 114.58 122.05 1wh5 h GLU 30 Ca -0.06 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1wh5 h GLU 30 Cb 0.56 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1wh5 h GLU 30 CO 0.05 0.35 -0.21 0.00 -1.00 0.00 0.00 179.01 178.19 1wh5 h ARG 31 N 0.54 -0.16 -0.51 2.33 2.47 0.25 1.20 114.38 120.51 1wh5 h ARG 31 Ca 0.33 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.96 1wh5 h ARG 31 Cb 0.35 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1wh5 h ARG 31 CO -0.27 -0.10 -0.06 0.52 0.56 0.00 0.00 179.97 180.61 1wh5 h MET 32 N -0.16 0.93 -0.42 0.04 2.86 -0.02 -0.88 114.93 117.29 1wh5 h MET 32 Ca 0.18 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1wh5 h MET 32 Cb 0.44 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1wh5 h MET 32 CO -0.46 0.99 0.26 -0.07 1.06 0.00 0.00 176.91 178.69 1wh5 h LEU 33 N 0.80 0.50 -1.56 1.22 3.38 0.64 1.56 115.31 121.85 1wh5 h LEU 33 Ca 0.14 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1wh5 h LEU 33 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1wh5 h LEU 33 CO 0.04 0.39 -0.23 0.00 0.09 0.00 0.00 178.44 178.73 1wh5 h ALA 34 N 1.13 1.52 0.00 1.53 0.00 0.16 -0.24 119.26 123.36 1wh5 h ALA 34 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wh5 h ALA 34 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wh5 h ALA 34 CO -0.03 0.29 -0.00 1.25 0.00 0.00 0.00 179.25 180.76 1wh5 h LEU 35 N 0.00 -0.01 -0.68 0.00 5.85 0.21 -3.00 115.31 117.69 1wh5 h LEU 35 Ca -0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1wh5 h LEU 35 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1wh5 h LEU 35 CO 0.03 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.03 1wh5 n ALA 36 N -2.60 1.12 0.91 1.25 0.00 0.52 0.55 120.51 122.27 1wh5 n ALA 36 Ca -0.09 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1wh5 n ALA 36 Cb 0.42 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.78 1wh5 n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wh5 n GLU 37 N -1.89 0.06 -0.02 0.00 1.02 -0.12 0.27 120.64 119.96 1wh5 n GLU 37 Ca -0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1wh5 n GLU 37 Cb 0.05 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 29.83 1wh5 n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wh5 n ARG 38 N -1.59 0.67 -0.07 3.49 1.85 0.19 -4.54 116.66 116.65 1wh5 n ARG 38 Ca 0.04 -0.12 -0.08 0.00 -1.00 0.00 0.00 57.85 56.70 1wh5 n ARG 38 Cb 0.35 -1.36 -0.11 0.00 -1.05 0.00 0.00 32.46 30.29 1wh5 n ARG 38 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1wh5 n ILE 39 N -2.10 1.02 0.00 8.89 -5.35 0.16 -5.01 119.36 116.96 1wh5 n ILE 39 Ca -0.06 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1wh5 n ILE 39 Cb 0.49 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 1wh5 n ILE 39 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wh5 n GLY 40 N 2.12 1.82 3.59 3.28 0.00 -0.27 -4.33 105.19 111.40 1wh5 n GLY 40 Ca -0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.10 -2.87 -3.95 1.61 7.02 0.14 -4.98 117.44 113.31 1wh5 n TRP 41 Ca 0.00 1.02 -0.10 0.00 -1.02 0.00 0.00 57.50 57.40 1wh5 n TRP 41 Cb 0.00 -5.05 -0.11 0.00 -2.42 0.00 0.00 31.31 23.73 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 -6.29 0.34 -0.07 -0.99 3.52 -1.26 -4.94 118.95 109.26 1wh5 s ARG 42 Ca 0.57 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1wh5 s ARG 42 Cb -0.25 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.24 1wh5 s ARG 42 CO 0.73 -0.06 -0.12 0.42 -0.81 0.00 0.00 175.30 175.46 1wh5 s ILE 43 N -1.36 3.26 0.36 4.11 1.01 -1.26 -4.86 121.20 122.45 1wh5 s ILE 43 Ca -0.15 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1wh5 s ILE 43 Cb -0.09 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1wh5 s ILE 43 CO -0.00 0.58 0.46 -1.10 0.00 0.00 0.00 174.94 174.88 1wh5 s GLN 44 N -0.52 1.95 0.00 2.79 -1.52 -1.26 -5.02 119.66 116.08 1wh5 s GLN 44 Ca 0.07 -1.84 0.29 0.00 -1.95 0.00 0.00 55.36 51.93 1wh5 s GLN 44 Cb -0.12 0.43 1.71 0.00 -0.22 0.00 0.00 33.01 34.82 1wh5 s GLN 44 CO 0.02 -0.80 2.10 -2.13 -0.25 0.00 0.00 175.29 174.23 1wh5 n ARG 45 N -0.60 1.00 -0.12 2.91 0.00 -1.26 -2.31 116.66 116.28 1wh5 n ARG 45 Ca 0.02 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.85 57.70 1wh5 n ARG 45 Cb 0.61 -1.45 -0.12 0.00 0.00 0.00 0.00 32.46 31.50 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 -0.94 0.65 0.00 -0.14 6.02 -1.26 -4.27 117.38 117.44 1wh5 n GLN 46 Ca 0.22 0.13 0.13 0.00 -0.01 0.00 0.00 57.00 57.47 1wh5 n GLN 46 Cb 0.10 -1.51 0.51 0.00 1.02 0.00 0.00 30.24 30.36 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 -3.19 0.16 -0.31 1.08 8.00 -1.20 -3.83 116.55 117.25 1wh5 n ASP 47 Ca -0.44 0.30 0.17 0.00 0.71 0.00 0.00 54.79 55.53 1wh5 n ASP 47 Cb 1.00 -0.31 0.34 0.00 -0.02 0.00 0.00 41.12 42.14 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 -0.06 -0.98 -2.24 3.58 -1.64 1.92 116.42 117.00 1wh5 h ASP 48 Ca 0.00 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.70 1wh5 h ASP 48 Cb 0.51 0.32 -0.05 0.00 1.72 0.00 0.00 39.33 41.83 1wh5 h ASP 48 CO 0.00 -0.25 0.65 -0.08 -2.88 0.00 0.00 179.24 176.68 1wh5 h GLU 49 N 0.13 1.25 0.03 0.28 4.81 -1.86 0.41 114.58 119.64 1wh5 h GLU 49 Ca 0.61 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.56 1wh5 h GLU 49 Cb 1.33 -0.28 0.02 0.00 0.63 0.00 0.00 28.75 30.44 1wh5 h GLU 49 CO -0.74 0.83 -0.85 0.28 -0.73 0.00 0.00 179.01 177.80 1wh5 h VAL 50 N 1.29 1.37 0.21 0.32 2.07 0.19 0.27 116.25 121.97 1wh5 h VAL 50 Ca 0.38 -2.22 0.01 0.00 0.82 0.00 0.00 66.70 65.68 1wh5 h VAL 50 Cb -0.08 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1wh5 h VAL 50 CO -0.10 0.66 -0.26 0.40 0.02 0.00 0.00 177.57 178.29 1wh5 h ILE 51 N 0.08 0.43 -0.01 4.57 1.08 0.27 1.45 117.51 125.38 1wh5 h ILE 51 Ca -0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1wh5 h ILE 51 Cb 1.55 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1wh5 h ILE 51 CO 0.17 0.00 0.00 -0.61 -0.69 0.00 0.00 178.15 177.02 1wh5 h GLN 52 N -0.53 0.01 -0.85 2.37 4.15 -0.27 -2.26 115.11 117.73 1wh5 h GLN 52 Ca 0.01 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1wh5 h GLN 52 Cb 0.51 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 1wh5 h GLN 52 CO -0.09 0.22 0.51 -0.09 -1.93 0.00 0.00 178.83 177.45 1wh5 h ARG 53 N -0.20 0.87 -0.84 1.69 9.65 -0.72 -1.21 114.38 123.62 1wh5 h ARG 53 Ca 0.00 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.88 1wh5 h ARG 53 Cb 0.21 -0.20 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 1wh5 h ARG 53 CO -0.00 0.58 0.53 0.35 2.80 0.00 0.00 179.97 184.22 1wh5 h PHE 54 N 0.90 0.98 0.00 2.20 3.04 0.22 0.38 116.94 124.66 1wh5 h PHE 54 Ca 0.39 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.36 1wh5 h PHE 54 Cb 0.26 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1wh5 h PHE 54 CO -0.04 0.53 0.00 0.00 -2.02 0.00 0.00 178.31 176.78 1wh5 h GLN 56 N 0.00 0.18 0.06 0.00 5.75 0.04 -1.16 115.11 119.99 1wh5 h GLN 56 Ca 0.00 -0.31 -0.28 0.00 -0.15 0.00 0.00 58.65 57.90 1wh5 h GLN 56 Cb 0.13 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1wh5 h GLN 56 CO 0.00 0.99 -1.49 1.05 -2.65 0.00 0.00 178.83 176.74 1wh5 h GLU 57 N 0.05 0.13 0.00 1.69 4.11 -0.31 -3.42 114.58 116.83 1wh5 h GLU 57 Ca -0.26 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1wh5 h GLU 57 Cb 2.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1wh5 h GLU 57 CO 0.13 0.93 0.00 0.25 0.07 0.00 0.00 179.01 180.39 1wh5 n THR 58 N -3.32 0.00 0.00 -1.06 -2.24 0.22 -5.05 114.28 102.82 1wh5 n THR 58 Ca -0.14 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1wh5 n THR 58 Cb 1.02 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 1.77 0.32 3.77 3.38 0.00 -0.44 -5.01 105.19 108.99 1wh5 n GLY 59 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.32 3.50 0.28 1.61 1.01 -1.26 -4.99 120.40 119.23 1wh5 s VAL 60 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 1wh5 s VAL 60 Cb 0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1wh5 s VAL 60 CO 0.00 0.17 1.08 -2.16 0.00 0.00 0.00 175.10 174.19 1wh5 s PRO 61 N -2.02 4.65 0.16 2.72 0.04 -1.26 -4.46 135.00 134.84 1wh5 s PRO 61 Ca 0.52 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 63.10 1wh5 s PRO 61 Cb -0.28 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.15 1wh5 s PRO 61 CO 0.36 0.23 1.61 -0.09 0.04 0.00 0.00 177.00 179.15 1wh5 h ARG 62 N 3.81 -0.22 -1.09 4.56 2.43 -1.94 0.55 114.38 122.47 1wh5 h ARG 62 Ca -0.47 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.03 1wh5 h ARG 62 Cb 1.21 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1wh5 h ARG 62 CO 0.67 -0.14 0.76 0.37 -1.51 0.00 0.00 179.97 180.12 1wh5 h GLN 63 N -0.22 0.11 0.06 0.20 4.15 -1.99 0.31 115.11 117.72 1wh5 h GLN 63 Ca 0.17 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 1wh5 h GLN 63 Cb 0.50 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1wh5 h GLN 63 CO -0.50 0.07 -0.35 0.28 -1.93 0.00 0.00 178.83 176.41 1wh5 h VAL 64 N 0.11 1.67 -0.07 2.39 2.07 -0.50 -2.81 116.25 119.10 1wh5 h VAL 64 Ca 0.55 -2.39 0.02 0.00 0.82 0.00 0.00 66.70 65.70 1wh5 h VAL 64 Cb 1.95 3.27 -0.00 0.00 -1.52 0.00 0.00 31.29 34.99 1wh5 h VAL 64 CO -0.09 0.65 0.20 0.25 0.02 0.00 0.00 177.57 178.60 1wh5 h LEU 65 N -0.71 0.00 0.00 2.57 7.12 0.29 0.97 115.31 125.55 1wh5 h LEU 65 Ca -0.06 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1wh5 h LEU 65 Cb 1.26 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.39 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 -3.25 0.00 -0.24 1.25 4.81 0.77 -3.43 118.16 118.07 1wh5 n LYS 66 Ca -0.01 0.44 0.03 0.00 -0.87 0.00 0.00 58.31 57.90 1wh5 n LYS 66 Cb 0.28 -0.97 0.16 0.00 0.02 0.00 0.00 35.03 34.52 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 0.69 -0.61 3.15 -1.51 -1.22 -1.80 116.25 114.94 1wh5 h VAL 67 Ca 0.00 -0.14 0.05 0.00 -1.23 0.00 0.00 66.70 65.38 1wh5 h VAL 67 Cb 0.00 0.23 -0.07 0.00 -2.13 0.00 0.00 31.29 29.32 1wh5 h VAL 67 CO 0.00 0.08 -0.36 1.87 -1.23 0.00 0.00 177.57 177.93 1wh5 n TRP 68 N -5.01 -0.27 -0.31 5.19 -0.00 0.33 0.24 117.44 117.61 1wh5 n TRP 68 Ca 0.12 0.76 0.09 0.00 -0.00 0.00 0.00 57.50 58.48 1wh5 n TRP 68 Cb 0.37 -0.53 0.21 0.00 -0.00 0.00 0.00 31.31 31.35 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 -0.52 -0.50 5.87 3.38 -1.35 1.31 115.31 123.50 1wh5 h LEU 69 Ca 0.10 0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 1wh5 h LEU 69 Cb 0.25 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1wh5 h LEU 69 CO -0.57 -0.28 -0.03 -0.74 0.09 0.00 0.00 178.44 176.91 1wh5 h HIS 70 N 0.04 0.98 0.00 1.13 2.76 0.22 1.00 115.15 121.29 1wh5 h HIS 70 Ca 0.50 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1wh5 h HIS 70 Cb 0.93 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1wh5 h HIS 70 CO -0.52 0.93 0.00 0.09 -1.30 0.00 0.00 177.93 177.13 1wh5 n ASN 71 N -4.29 0.13 0.00 3.26 3.02 0.65 -3.94 115.26 114.09 1wh5 n ASN 71 Ca 0.01 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1wh5 n ASN 71 Cb 0.34 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1wh5 n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wh5 n ASN 72 N -1.65 0.00 -4.52 6.41 3.02 0.30 -4.88 115.26 113.94 1wh5 n ASN 72 Ca 0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.26 1wh5 n ASN 72 Cb 0.14 -0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.52 0.35 -0.00 3.52 -0.00 0.34 -4.61 118.16 116.24 1wh5 n LYS 73 Ca 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1wh5 n LYS 73 Cb 0.00 -2.24 -0.00 0.00 -0.00 0.00 0.00 35.03 32.79 1wh5 n LYS 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1wh5 n HIS 74 N 12.09 0.00 0.19 5.58 -0.00 -1.26 -4.72 115.22 127.09 1wh5 n HIS 74 Ca 0.56 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.66 1wh5 n HIS 74 Cb 0.25 -0.02 -0.04 0.00 -0.12 0.00 0.00 29.99 30.06 1wh5 n HIS 74 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1wh5 h SER 75 N -0.04 -0.46 -3.49 0.26 0.87 -1.99 -3.50 113.55 105.19 1wh5 h SER 75 Ca 0.00 0.02 0.36 0.00 -1.23 0.00 0.00 61.79 60.93 1wh5 h SER 75 Cb 0.04 0.12 -0.15 0.00 -0.44 0.00 0.00 62.40 61.98 1wh5 h SER 75 CO 0.00 -0.06 -0.92 0.61 -0.53 0.00 0.00 176.83 175.94 1wh5 n GLY 76 N 0.35 -2.71 2.73 5.77 0.00 -1.26 -4.07 105.19 106.00 1wh5 n GLY 76 Ca -0.07 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.27 2.41 -3.72 1.61 -0.04 -1.26 -4.83 135.00 124.91 1wh5 n PRO 77 Ca -0.04 -2.01 -0.38 0.00 -0.04 0.00 0.00 63.50 61.02 1wh5 n PRO 77 Cb 0.66 -2.88 -0.11 0.00 -0.04 0.00 0.00 33.50 31.12 1wh5 n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wh5 s SER 78 N 3.60 5.37 0.20 3.54 1.04 -1.26 -5.04 113.70 121.16 1wh5 s SER 78 Ca 0.52 -1.59 -0.23 0.00 0.48 0.00 0.00 55.95 55.13 1wh5 s SER 78 Cb 0.14 -1.88 0.05 0.00 0.10 0.00 0.00 66.02 64.43 1wh5 s SER 78 CO -0.01 -0.48 0.89 -0.94 0.98 0.00 0.00 173.24 173.68 1wh5 s SER 79 N 1.83 -0.18 0.00 7.02 1.04 -1.26 -5.16 113.70 116.99 1wh5 s SER 79 Ca 0.03 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1wh5 s SER 79 Cb -0.22 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1wh5 s SER 79 CO -0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75