#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 0.19 0.34 1.61 0.01 -1.26 -5.08 113.70 109.52 1wh5 s SER 2 Ca 0.00 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.90 1wh5 s SER 2 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wh5 s SER 2 CO 0.00 -0.88 0.00 -0.24 0.41 0.00 0.00 173.24 172.53 1wh5 n SER 3 N -0.34 -2.06 -1.66 2.44 2.88 -1.26 -5.16 113.62 108.46 1wh5 n SER 3 Ca 0.02 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1wh5 n SER 3 Cb 0.65 2.04 0.00 0.00 -0.75 0.00 0.00 64.21 66.16 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 -0.06 -4.76 3.61 0.46 0.00 -1.26 -4.92 105.19 98.27 1wh5 n GLY 4 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1wh5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh5 s SER 5 N -2.99 5.70 -0.07 1.61 1.04 -1.26 -5.00 113.70 112.73 1wh5 s SER 5 Ca 0.00 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.36 1wh5 s SER 5 Cb 0.00 -2.00 -0.07 0.00 0.10 0.00 0.00 66.02 64.04 1wh5 s SER 5 CO 0.00 0.10 0.42 0.28 0.98 0.00 0.00 173.24 175.02 1wh5 h SER 6 N 7.25 -0.21 0.00 7.02 0.02 -2.08 -3.49 113.55 122.06 1wh5 h SER 6 Ca -0.37 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1wh5 h SER 6 Cb 1.17 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1wh5 h SER 6 CO 0.66 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1wh5 n GLY 7 N 1.05 3.82 3.07 -3.77 0.00 -1.26 -5.18 105.19 102.93 1wh5 n GLY 7 Ca -0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1wh5 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh5 s SER 8 N 0.00 0.21 0.12 1.61 0.15 -1.26 -5.07 113.70 109.47 1wh5 s SER 8 Ca 0.00 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1wh5 s SER 8 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wh5 s SER 8 CO 0.00 -0.44 0.00 -1.20 1.20 0.00 0.00 173.24 172.80 1wh5 n SER 9 N 1.05 -7.53 -3.39 5.45 7.64 -1.26 -5.07 113.62 110.51 1wh5 n SER 9 Ca -0.20 1.17 0.02 0.00 1.01 0.00 0.00 58.87 60.86 1wh5 n SER 9 Cb 0.57 -4.19 -0.03 0.00 -1.01 0.00 0.00 64.21 59.56 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh5 s ALA 10 N -0.42 -2.25 -0.02 -0.43 0.00 -1.26 -5.16 121.76 112.23 1wh5 s ALA 10 Ca 0.00 2.07 0.02 0.00 0.00 0.00 0.00 51.96 54.05 1wh5 s ALA 10 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1wh5 s ALA 10 CO 0.00 -1.13 -0.06 -1.21 0.00 0.00 0.00 175.76 173.36 1wh5 s GLU 11 N 2.85 0.69 -0.30 0.00 2.02 -1.26 -5.12 118.70 117.59 1wh5 s GLU 11 Ca 0.06 -0.20 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 1wh5 s GLU 11 Cb -0.13 -0.68 0.18 0.00 0.10 0.00 0.00 34.13 33.60 1wh5 s GLU 11 CO -0.19 0.07 1.06 0.00 0.02 0.00 0.00 175.26 176.21 1wh5 s ALA 12 N 0.23 -3.21 0.00 5.21 0.00 -1.26 -5.15 121.76 117.57 1wh5 s ALA 12 Ca -0.03 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1wh5 s ALA 12 Cb -0.07 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1wh5 s ALA 12 CO -0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.91 1wh5 n GLY 13 N 5.22 -0.90 0.00 0.00 0.00 -1.26 -5.15 105.19 103.10 1wh5 n GLY 13 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.64 2.91 -0.02 0.00 -1.26 -5.00 105.19 102.46 1wh5 n GLY 14 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 5.00 -2.26 3.46 -0.02 0.00 -1.26 -4.92 105.19 105.19 1wh5 n GLY 15 Ca 0.00 0.58 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.75 4.96 -0.07 -0.61 1.01 -1.26 -5.03 121.20 119.44 1wh5 s ILE 16 Ca -0.08 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 1wh5 s ILE 16 Cb 0.01 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.96 1wh5 s ILE 16 CO 0.37 -0.09 0.99 -0.13 0.00 0.00 0.00 174.94 176.08 1wh5 s ARG 17 N 1.65 0.65 -0.33 2.79 1.81 -1.26 -5.13 118.95 119.13 1wh5 s ARG 17 Ca 0.05 -0.20 0.01 0.00 -1.72 0.00 0.00 55.73 53.87 1wh5 s ARG 17 Cb -0.18 0.30 0.08 0.00 -0.45 0.00 0.00 34.95 34.70 1wh5 s ARG 17 CO 0.08 -0.28 0.04 -1.59 -0.68 0.00 0.00 175.30 172.88 1wh5 s LYS 18 N -2.71 1.96 0.47 3.54 -2.85 -1.26 -5.09 119.74 113.79 1wh5 s LYS 18 Ca 0.06 -1.62 -0.23 0.00 -1.00 0.00 0.00 55.97 53.17 1wh5 s LYS 18 Cb -0.01 -3.21 -0.07 0.00 -2.06 0.00 0.00 37.83 32.48 1wh5 s LYS 18 CO -0.07 -0.82 1.25 1.03 0.10 0.00 0.00 175.35 176.84 1wh5 s ARG 19 N 1.07 3.62 -0.35 1.78 1.81 -1.26 -5.00 118.95 120.62 1wh5 s ARG 19 Ca 0.03 1.99 -0.09 0.00 -1.72 0.00 0.00 55.73 55.94 1wh5 s ARG 19 Cb -0.20 -2.44 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 1wh5 s ARG 19 CO -0.05 -0.73 0.16 -3.38 -0.68 0.00 0.00 175.30 170.62 1wh5 s HIS 20 N -1.41 3.25 -0.30 -0.53 -3.43 -1.26 -4.88 115.29 106.73 1wh5 s HIS 20 Ca 0.64 -1.17 0.02 0.00 -0.80 0.00 0.00 55.06 53.75 1wh5 s HIS 20 Cb -0.34 -2.36 0.32 0.00 -1.43 0.00 0.00 32.58 28.77 1wh5 s HIS 20 CO 0.42 -0.68 1.41 2.89 -2.00 0.00 0.00 174.74 176.78 1wh5 n ARG 21 N 4.91 0.01 -4.43 -0.38 1.85 -1.26 -5.17 116.66 112.19 1wh5 n ARG 21 Ca -0.12 -0.51 -0.25 0.00 -1.00 0.00 0.00 57.85 55.97 1wh5 n ARG 21 Cb 0.45 -0.01 -0.10 0.00 -1.05 0.00 0.00 32.46 31.76 1wh5 n ARG 21 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1wh5 s THR 22 N 0.00 2.62 -0.43 8.89 -4.23 -1.26 -5.08 115.64 116.15 1wh5 s THR 22 Ca 0.21 -2.22 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1wh5 s THR 22 Cb 0.27 -2.35 0.26 0.00 1.34 0.00 0.00 72.50 72.03 1wh5 s THR 22 CO -0.18 -0.32 0.74 0.29 -0.54 0.00 0.00 174.62 174.61 1wh5 n LYS 23 N -0.42 0.79 -2.22 3.99 4.76 -1.26 -5.11 118.16 118.70 1wh5 n LYS 23 Ca -0.07 -2.57 -0.43 0.00 -2.87 0.00 0.00 58.31 52.37 1wh5 n LYS 23 Cb 0.59 -1.34 -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 -0.49 2.34 0.67 2.13 0.08 -1.26 -5.00 117.98 116.45 1wh5 s PHE 24 Ca 0.33 0.65 -0.07 0.00 0.12 0.00 0.00 56.93 57.96 1wh5 s PHE 24 Cb 0.22 -3.89 0.04 0.00 -0.57 0.00 0.00 43.02 38.82 1wh5 s PHE 24 CO -0.15 -2.55 1.00 -0.08 -0.10 0.00 0.00 175.22 173.34 1wh5 s THR 25 N 4.63 2.92 0.32 0.64 -1.32 -1.26 -4.47 115.64 117.10 1wh5 s THR 25 Ca 0.65 -0.05 0.18 0.00 -1.21 0.00 0.00 61.69 61.27 1wh5 s THR 25 Cb -0.23 -3.23 0.31 0.00 -1.51 0.00 0.00 72.50 67.84 1wh5 s THR 25 CO 0.26 -0.25 1.39 0.00 -2.21 0.00 0.00 174.62 173.80 1wh5 n ALA 26 N -2.84 0.90 -0.10 11.08 0.00 -1.26 0.14 120.51 128.42 1wh5 n ALA 26 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1wh5 n ALA 26 Cb 0.59 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -4.99 0.00 -0.22 0.00 2.13 -1.26 -0.37 120.64 115.93 1wh5 n GLU 27 Ca 0.33 0.45 0.02 0.00 0.66 0.00 0.00 57.16 58.62 1wh5 n GLU 27 Cb 1.13 -1.35 0.12 0.00 0.27 0.00 0.00 31.44 31.61 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 0.18 5.31 1.08 -1.22 1.19 115.11 121.78 1wh5 h GLN 28 Ca 0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1wh5 h GLN 28 Cb 0.00 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1wh5 h GLN 28 CO 0.00 0.08 -0.26 -0.22 -0.95 0.00 0.00 178.83 177.49 1wh5 h LYS 29 N 0.13 -0.44 -0.99 1.46 3.64 0.11 0.13 116.57 120.62 1wh5 h LYS 29 Ca 0.34 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.89 1wh5 h LYS 29 Cb 0.57 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1wh5 h LYS 29 CO -0.55 -0.29 0.62 0.93 -2.27 0.00 0.00 179.45 177.89 1wh5 h GLU 30 N -0.45 0.87 -0.89 1.90 5.08 -0.00 0.14 114.58 121.22 1wh5 h GLU 30 Ca -0.02 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1wh5 h GLU 30 Cb 0.41 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1wh5 h GLU 30 CO -0.07 0.58 0.54 0.00 -1.00 0.00 0.00 179.01 179.05 1wh5 h ARG 31 N 0.90 0.88 -0.04 2.33 2.47 0.22 0.31 114.38 121.44 1wh5 h ARG 31 Ca 0.51 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 59.08 1wh5 h ARG 31 Cb 0.62 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1wh5 h ARG 31 CO -0.28 0.58 -0.35 0.52 0.56 0.00 0.00 179.97 181.00 1wh5 h MET 32 N 0.90 0.30 -0.79 0.04 2.86 0.16 -1.99 114.93 116.41 1wh5 h MET 32 Ca 0.42 -0.27 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 1wh5 h MET 32 Cb 0.35 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.00 1wh5 h MET 32 CO -0.23 0.95 0.44 -0.07 1.06 0.00 0.00 176.91 179.05 1wh5 h LEU 33 N -0.25 0.62 -0.83 1.22 3.38 -0.32 1.53 115.31 120.66 1wh5 h LEU 33 Ca -0.03 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1wh5 h LEU 33 Cb 1.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1wh5 h LEU 33 CO 0.07 0.35 -0.21 0.00 0.09 0.00 0.00 178.44 178.74 1wh5 h ALA 34 N 1.45 1.01 0.03 1.53 0.00 -0.43 0.52 119.26 123.37 1wh5 h ALA 34 Ca 0.39 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wh5 h ALA 34 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wh5 h ALA 34 CO -0.25 0.59 -0.02 1.25 0.00 0.00 0.00 179.25 180.82 1wh5 h LEU 35 N 0.56 -0.04 -0.56 0.00 5.85 -0.03 -1.03 115.31 120.06 1wh5 h LEU 35 Ca 0.08 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.38 1wh5 h LEU 35 Cb 0.67 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1wh5 h LEU 35 CO 0.05 0.49 0.24 0.00 -0.34 0.00 0.00 178.44 178.88 1wh5 h ALA 36 N 0.35 0.72 0.00 1.25 0.00 0.21 1.28 119.26 123.08 1wh5 h ALA 36 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wh5 h ALA 36 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wh5 h ALA 36 CO 0.01 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.50 1wh5 n GLU 37 N -4.95 0.14 -0.13 0.00 1.02 0.16 0.19 120.64 117.08 1wh5 n GLU 37 Ca 0.07 0.14 -0.27 0.00 -0.02 0.00 0.00 57.16 57.08 1wh5 n GLU 37 Cb 0.21 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 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 0.58 0.05 3.49 0.63 0.18 -4.53 116.66 115.68 1wh5 n ARG 38 Ca 0.07 0.34 -0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1wh5 n ARG 38 Cb 0.19 -1.55 -0.13 0.00 0.45 0.00 0.00 32.46 31.41 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 1.36 0.00 5.15 3.07 0.13 -3.48 117.51 122.75 1wh5 h ILE 39 Ca -0.60 -3.05 0.00 0.00 1.55 0.00 0.00 64.86 62.76 1wh5 h ILE 39 Cb 1.52 2.76 0.00 0.00 -0.27 0.00 0.00 36.82 40.83 1wh5 h ILE 39 CO -0.36 0.83 0.00 0.61 -1.05 0.00 0.00 178.15 178.18 1wh5 n GLY 40 N 1.51 1.68 2.44 0.16 0.00 0.52 -4.36 105.19 107.13 1wh5 n GLY 40 Ca -0.09 0.00 -0.09 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 -0.82 0.00 -4.33 1.61 7.02 0.20 -4.95 117.44 116.17 1wh5 n TRP 41 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 1wh5 n TRP 41 Cb 0.00 -2.01 -0.12 0.00 -2.42 0.00 0.00 31.31 26.75 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 -2.55 1.24 -0.04 -0.99 3.52 -1.26 -4.91 118.95 113.96 1wh5 s ARG 42 Ca 0.00 -1.27 0.06 0.00 -0.13 0.00 0.00 55.73 54.40 1wh5 s ARG 42 Cb 0.00 -1.54 -0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1wh5 s ARG 42 CO 0.00 0.35 -0.23 0.42 -0.81 0.00 0.00 175.30 175.03 1wh5 s ILE 43 N -1.28 2.30 0.22 4.11 1.01 -1.26 -4.81 121.20 121.48 1wh5 s ILE 43 Ca 0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 1wh5 s ILE 43 Cb -0.09 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1wh5 s ILE 43 CO 0.05 0.58 0.37 -1.10 0.00 0.00 0.00 174.94 174.85 1wh5 s GLN 44 N -0.53 1.38 0.29 2.79 -1.52 -1.26 -5.01 119.66 115.80 1wh5 s GLN 44 Ca 0.07 -1.28 0.21 0.00 -1.95 0.00 0.00 55.36 52.42 1wh5 s GLN 44 Cb -0.11 0.42 1.07 0.00 -0.22 0.00 0.00 33.01 34.17 1wh5 s GLN 44 CO 0.00 -0.54 1.65 2.89 -0.25 0.00 0.00 175.29 179.04 1wh5 n ARG 45 N -0.32 0.15 -0.08 2.91 -4.01 -1.26 -0.36 116.66 113.69 1wh5 n ARG 45 Ca -0.03 0.57 -0.14 0.00 -1.04 0.00 0.00 57.85 57.21 1wh5 n ARG 45 Cb 0.63 -1.91 -0.11 0.00 -3.04 0.00 0.00 32.46 28.03 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 -2.02 -3.31 115.11 113.75 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 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1wh5 h GLN 46 CO 0.00 0.86 0.00 -0.44 -0.95 0.00 0.00 178.83 178.30 1wh5 h ASP 47 N -1.00 0.00 -1.00 1.46 3.32 -1.82 -3.23 116.42 114.15 1wh5 h ASP 47 Ca -0.09 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.16 1wh5 h ASP 47 Cb 0.95 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.31 1wh5 h ASP 47 CO -0.05 0.00 -0.26 -0.67 -1.72 0.00 0.00 179.24 176.54 1wh5 n ASP 48 N -2.37 -0.38 -0.22 6.45 -0.08 0.51 0.19 116.55 120.65 1wh5 n ASP 48 Ca 0.03 1.72 0.01 0.00 -1.51 0.00 0.00 54.79 55.04 1wh5 n ASP 48 Cb 0.29 -0.51 0.13 0.00 2.34 0.00 0.00 41.12 43.37 1wh5 n ASP 48 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1wh5 h GLU 49 N 0.00 0.41 -0.24 -0.67 5.08 -1.78 0.88 114.58 118.27 1wh5 h GLU 49 Ca 0.47 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.61 1wh5 h GLU 49 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wh5 h GLU 49 CO -1.03 0.27 -0.61 0.28 -1.00 0.00 0.00 179.01 176.92 1wh5 h VAL 50 N 0.42 1.28 0.01 3.13 2.07 0.18 -1.10 116.25 122.24 1wh5 h VAL 50 Ca 0.34 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 1wh5 h VAL 50 Cb 0.44 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1wh5 h VAL 50 CO -0.33 0.58 -0.01 0.40 0.02 0.00 0.00 177.57 178.23 1wh5 h ILE 51 N 0.60 0.00 -1.04 4.57 1.08 0.37 1.51 117.51 124.60 1wh5 h ILE 51 Ca -0.00 -0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.75 1wh5 h ILE 51 Cb 1.22 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 1wh5 h ILE 51 CO 0.13 0.00 0.71 1.56 -0.69 0.00 0.00 178.15 179.86 1wh5 h GLN 52 N -0.02 0.19 0.17 2.37 4.20 0.61 0.11 115.11 122.74 1wh5 h GLN 52 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1wh5 h GLN 52 Cb 0.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1wh5 h GLN 52 CO 0.00 0.12 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.11 1wh5 h ARG 53 N 0.19 -0.22 -0.49 1.46 9.65 -0.97 -3.15 114.38 120.85 1wh5 h ARG 53 Ca 0.53 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.57 1wh5 h ARG 53 Cb 1.74 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 30.35 1wh5 h ARG 53 CO -0.14 0.20 0.39 0.35 2.80 0.00 0.00 179.97 183.57 1wh5 h PHE 54 N -0.84 0.00 0.00 2.20 3.04 0.40 1.49 116.94 123.22 1wh5 h PHE 54 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1wh5 h PHE 54 Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1wh5 h PHE 54 CO 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.37 1wh5 n GLN 56 N -1.77 0.65 0.04 0.00 6.02 0.51 -0.92 117.38 121.90 1wh5 n GLN 56 Ca 0.04 0.25 -0.11 0.00 -0.01 0.00 0.00 57.00 57.17 1wh5 n GLN 56 Cb 0.24 -1.75 -0.13 0.00 1.02 0.00 0.00 30.24 29.62 1wh5 n GLN 56 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1wh5 h GLU 57 N 0.01 0.09 0.00 -1.09 4.11 -1.04 -3.40 114.58 113.26 1wh5 h GLU 57 Ca -0.34 -0.16 -0.21 0.00 0.07 0.00 0.00 59.36 58.73 1wh5 h GLU 57 Cb 2.04 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.32 1wh5 h GLU 57 CO 0.07 0.89 -1.64 0.25 0.07 0.00 0.00 179.01 178.66 1wh5 n THR 58 N -3.30 1.51 0.00 -1.06 -2.24 0.22 -5.02 114.28 104.39 1wh5 n THR 58 Ca -0.11 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1wh5 n THR 58 Cb 1.01 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 1.38 0.70 3.77 3.38 0.00 -0.10 -5.04 105.19 109.27 1wh5 n GLY 59 Ca -0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 0.38 1.61 1.01 -1.25 -4.98 120.40 118.67 1wh5 s VAL 60 Ca 0.00 1.38 -0.25 0.00 0.00 0.00 0.00 61.98 63.11 1wh5 s VAL 60 Cb 0.00 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1wh5 s VAL 60 CO 0.00 0.22 1.06 -2.16 0.00 0.00 0.00 175.10 174.22 1wh5 s PRO 61 N -1.85 4.24 0.11 2.72 0.04 -1.26 -4.55 135.00 134.45 1wh5 s PRO 61 Ca 0.50 1.57 -0.33 0.00 0.04 0.00 0.00 61.00 62.78 1wh5 s PRO 61 Cb -0.29 -2.66 -0.12 0.00 0.04 0.00 0.00 34.50 31.47 1wh5 s PRO 61 CO 0.37 -0.08 1.57 -0.09 0.04 0.00 0.00 177.00 178.81 1wh5 h ARG 62 N 2.73 -0.69 -1.41 4.56 2.43 -1.95 0.49 114.38 120.54 1wh5 h ARG 62 Ca -0.48 0.05 0.42 0.00 -0.81 0.00 0.00 59.98 59.16 1wh5 h ARG 62 Cb 1.21 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.84 1wh5 h ARG 62 CO 0.63 -0.46 0.98 0.37 -1.51 0.00 0.00 179.97 179.98 1wh5 h GLN 63 N -0.72 0.07 0.03 0.20 4.15 -1.98 0.88 115.11 117.74 1wh5 h GLN 63 Ca 0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1wh5 h GLN 63 Cb 0.73 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1wh5 h GLN 63 CO -0.27 0.05 -0.01 0.28 -1.93 0.00 0.00 178.83 176.95 1wh5 h VAL 64 N 0.08 0.84 -0.40 2.39 2.07 -1.19 -2.04 116.25 117.99 1wh5 h VAL 64 Ca 0.73 -1.56 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1wh5 h VAL 64 Cb 2.65 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.96 1wh5 h VAL 64 CO -0.15 0.28 0.43 0.25 0.02 0.00 0.00 177.57 178.39 1wh5 h LEU 65 N -0.99 0.00 0.00 2.57 7.12 0.31 1.35 115.31 125.68 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 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1wh5 h LEU 65 CO 0.01 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.49 1wh5 n LYS 66 N -3.75 0.00 -0.27 1.25 4.81 0.27 -3.36 118.16 117.11 1wh5 n LYS 66 Ca 0.07 0.40 0.08 0.00 -0.87 0.00 0.00 58.31 57.99 1wh5 n LYS 66 Cb 0.60 -0.98 0.22 0.00 0.02 0.00 0.00 35.03 34.90 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 0.58 -0.75 3.15 -1.51 -1.02 -1.07 116.25 115.63 1wh5 h VAL 67 Ca 0.00 -0.14 0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1wh5 h VAL 67 Cb 0.00 0.13 -0.09 0.00 -2.13 0.00 0.00 31.29 29.20 1wh5 h VAL 67 CO 0.00 0.08 -0.44 1.87 -1.23 0.00 0.00 177.57 177.84 1wh5 n TRP 68 N -5.03 -0.33 -0.30 5.19 -0.00 0.46 0.24 117.44 117.66 1wh5 n TRP 68 Ca 0.17 0.94 0.12 0.00 -0.00 0.00 0.00 57.50 58.73 1wh5 n TRP 68 Cb 0.49 -0.56 0.26 0.00 -0.00 0.00 0.00 31.31 31.51 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 -0.25 -0.63 5.87 3.38 -1.20 1.82 115.31 124.30 1wh5 h LEU 69 Ca 0.12 0.23 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 1wh5 h LEU 69 Cb 0.31 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1wh5 h LEU 69 CO -0.71 -0.24 -0.28 -0.74 0.09 0.00 0.00 178.44 176.56 1wh5 h HIS 70 N 0.11 0.89 0.00 1.13 2.76 0.23 1.18 115.15 121.44 1wh5 h HIS 70 Ca 0.54 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1wh5 h HIS 70 Cb 1.07 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1wh5 h HIS 70 CO -0.38 0.96 -0.12 -0.91 -1.30 0.00 0.00 177.93 176.18 1wh5 h ASN 71 N 0.66 0.00 0.00 3.26 2.35 1.32 -3.34 115.58 119.83 1wh5 h ASN 71 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1wh5 h ASN 71 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1wh5 h ASN 71 CO 0.07 0.12 -0.01 0.59 -1.65 0.00 0.00 177.43 176.55 1wh5 n ASN 72 N -3.29 0.02 -4.19 5.81 3.02 0.51 -4.96 115.26 112.18 1wh5 n ASN 72 Ca 0.00 0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 54.44 1wh5 n ASN 72 Cb 0.35 -0.50 0.26 0.00 -0.61 0.00 0.00 39.78 39.28 1wh5 n ASN 72 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1wh5 s LYS 73 N -1.01 -1.45 -0.31 3.52 -2.85 0.40 -4.58 119.74 113.45 1wh5 s LYS 73 Ca -0.00 0.54 -0.01 0.00 -1.00 0.00 0.00 55.97 55.50 1wh5 s LYS 73 Cb 0.00 -1.52 0.00 0.00 -2.06 0.00 0.00 37.83 34.26 1wh5 s LYS 73 CO 0.00 -4.00 0.03 1.58 0.10 0.00 0.00 175.35 173.06 1wh5 n HIS 74 N -5.07 -3.97 -1.71 1.78 -0.00 -1.26 -4.68 115.22 100.31 1wh5 n HIS 74 Ca 0.06 1.75 -0.38 0.00 0.46 0.00 0.00 57.72 59.61 1wh5 n HIS 74 Cb 0.56 -4.01 0.04 0.00 -0.12 0.00 0.00 29.99 26.47 1wh5 n HIS 74 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1wh5 n SER 75 N 0.66 2.19 -3.23 0.26 7.64 -1.26 -3.58 113.62 116.31 1wh5 n SER 75 Ca 0.01 0.94 -0.09 0.00 1.01 0.00 0.00 58.87 60.74 1wh5 n SER 75 Cb 0.03 -1.53 0.02 0.00 -1.01 0.00 0.00 64.21 61.73 1wh5 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh5 n GLY 76 N 0.90 -1.21 2.50 0.23 0.00 -1.26 -4.80 105.19 101.54 1wh5 n GLY 76 Ca 0.11 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.44 2.76 0.00 1.61 -0.04 -1.23 -4.77 135.00 130.87 1wh5 n PRO 77 Ca -0.05 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1wh5 n PRO 77 Cb 0.56 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1wh5 n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh5 n SER 78 N 4.05 0.00 -3.19 3.54 7.64 -1.26 -4.14 113.62 120.26 1wh5 n SER 78 Ca 0.59 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.48 1wh5 n SER 78 Cb 0.18 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 1wh5 n SER 78 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh5 s SER 79 N -2.96 -1.03 0.00 6.43 0.15 -1.26 -5.27 113.70 109.75 1wh5 s SER 79 Ca 0.00 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1wh5 s SER 79 Cb 0.00 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1wh5 s SER 79 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78