#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 4.51 -3.87 1.61 7.64 -1.26 -5.00 113.62 117.25 1wh5 n SER 2 Ca 0.00 -3.15 -0.07 0.00 1.01 0.00 0.00 58.87 56.65 1wh5 n SER 2 Cb 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 1wh5 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh5 s SER 3 N -0.18 -0.24 -1.21 6.43 0.01 -1.26 -5.06 113.70 112.19 1wh5 s SER 3 Ca 0.29 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.85 1wh5 s SER 3 Cb -0.06 0.71 0.20 0.00 0.21 0.00 0.00 66.02 67.09 1wh5 s SER 3 CO -0.10 -1.32 2.03 0.61 0.41 0.00 0.00 173.24 174.87 1wh5 n GLY 4 N -0.45 5.35 3.52 3.44 0.00 -1.26 -4.97 105.19 110.82 1wh5 n GLY 4 Ca -0.04 -2.27 -0.44 0.00 0.00 0.00 0.00 46.02 43.27 1wh5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh5 n SER 5 N 1.67 2.41 -0.15 1.61 2.88 -1.26 -4.82 113.62 115.95 1wh5 n SER 5 Ca 0.49 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 58.03 1wh5 n SER 5 Cb 0.28 -1.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 1wh5 n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wh5 h SER 6 N 14.97 -1.63 -2.11 -3.46 0.02 -1.90 -3.48 113.55 115.97 1wh5 h SER 6 Ca -0.29 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1wh5 h SER 6 Cb 1.28 0.70 0.00 0.00 0.14 0.00 0.00 62.40 64.52 1wh5 h SER 6 CO 1.06 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1wh5 n GLY 7 N -1.40 -0.84 3.16 -3.77 0.00 -1.25 -4.93 105.19 96.17 1wh5 n GLY 7 Ca -0.01 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1wh5 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh5 n SER 8 N -0.33 4.69 -3.18 1.61 2.88 -1.02 -4.78 113.62 113.49 1wh5 n SER 8 Ca 0.00 -3.12 0.03 0.00 -1.33 0.00 0.00 58.87 54.45 1wh5 n SER 8 Cb 0.00 -1.15 -0.01 0.00 -0.75 0.00 0.00 64.21 62.29 1wh5 n SER 8 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh5 s SER 9 N 0.17 -1.31 -0.36 -3.46 1.04 -1.26 -5.04 113.70 103.48 1wh5 s SER 9 Ca 0.29 0.88 -0.00 0.00 0.48 0.00 0.00 55.95 57.60 1wh5 s SER 9 Cb -0.07 2.13 0.13 0.00 0.10 0.00 0.00 66.02 68.31 1wh5 s SER 9 CO -0.10 -0.26 0.19 0.00 0.98 0.00 0.00 173.24 174.05 1wh5 s ALA 10 N 2.85 1.27 -0.21 5.32 0.00 -1.26 -5.11 121.76 124.62 1wh5 s ALA 10 Ca 0.19 -1.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.18 1wh5 s ALA 10 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1wh5 s ALA 10 CO -0.21 -1.96 0.10 -1.21 0.00 0.00 0.00 175.76 172.48 1wh5 s GLU 11 N 1.14 3.99 0.16 0.00 8.01 -1.26 -4.58 118.70 126.17 1wh5 s GLU 11 Ca 0.15 -0.32 0.00 0.00 0.01 0.00 0.00 54.97 54.81 1wh5 s GLU 11 Cb -0.21 -3.34 0.00 0.00 -4.31 0.00 0.00 34.13 26.26 1wh5 s GLU 11 CO -0.09 0.16 0.00 0.00 0.01 0.00 0.00 175.26 175.34 1wh5 n ALA 12 N 3.91 3.00 -2.71 5.21 0.00 -1.26 -5.02 120.51 123.64 1wh5 n ALA 12 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1wh5 n ALA 12 Cb 0.52 0.12 0.10 0.00 0.00 0.00 0.00 19.45 20.18 1wh5 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wh5 n GLY 13 N 2.59 0.07 2.60 0.00 0.00 -1.26 -5.03 105.19 104.16 1wh5 n GLY 13 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.30 2.04 3.68 -0.02 0.00 -1.26 -4.92 105.19 105.01 1wh5 n GLY 14 Ca 0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1wh5 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh5 s GLY 15 N 0.00 2.25 -0.48 -0.02 0.00 -1.26 -4.94 107.32 102.88 1wh5 s GLY 15 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.79 1wh5 s GLY 15 CO 0.00 1.95 2.41 0.29 0.00 0.00 0.00 173.10 177.75 1wh5 n ILE 16 N 4.66 -0.07 -2.98 0.90 -5.35 -1.26 -4.63 119.36 110.63 1wh5 n ILE 16 Ca 0.09 -0.79 -0.32 0.00 -0.27 0.00 0.00 62.75 61.46 1wh5 n ILE 16 Cb 0.48 -2.80 -0.06 0.00 -1.74 0.00 0.00 39.64 35.52 1wh5 n ILE 16 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1wh5 s ARG 17 N 8.20 4.05 0.37 6.28 3.00 -1.26 -5.07 118.95 134.52 1wh5 s ARG 17 Ca 0.98 0.80 -0.13 0.00 -1.00 0.00 0.00 55.73 56.39 1wh5 s ARG 17 Cb -0.18 -2.34 0.04 0.00 0.00 0.00 0.00 34.95 32.47 1wh5 s ARG 17 CO 0.27 0.06 0.71 -1.59 0.00 0.00 0.00 175.30 174.74 1wh5 s LYS 18 N -3.17 2.13 0.00 5.12 0.00 -1.26 -5.00 119.74 117.56 1wh5 s LYS 18 Ca 0.57 -1.49 0.00 0.00 0.00 0.00 0.00 55.97 55.05 1wh5 s LYS 18 Cb -0.10 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.31 1wh5 s LYS 18 CO 0.18 -0.97 0.00 2.89 0.00 0.00 0.00 175.35 177.45 1wh5 n ARG 19 N -0.53 0.00 0.00 1.78 1.85 -1.26 -5.10 116.66 113.39 1wh5 n ARG 19 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1wh5 n ARG 19 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1wh5 n ARG 19 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1wh5 n HIS 20 N 0.00 0.00 -2.45 2.89 1.44 -1.26 -5.06 115.22 110.78 1wh5 n HIS 20 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1wh5 n HIS 20 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1wh5 n HIS 20 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1wh5 n ARG 21 N 0.00 0.30 -4.08 -1.40 3.00 -1.26 -5.16 116.66 108.07 1wh5 n ARG 21 Ca 0.00 -0.29 -0.24 0.00 -0.00 0.00 0.00 57.85 57.32 1wh5 n ARG 21 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 32.46 32.56 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 0.03 4.60 -0.47 5.15 -4.23 -1.26 -5.07 115.64 114.39 1wh5 s THR 22 Ca 0.02 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1wh5 s THR 22 Cb 0.10 -3.42 0.25 0.00 1.34 0.00 0.00 72.50 70.77 1wh5 s THR 22 CO -0.03 -0.23 0.86 0.29 -0.54 0.00 0.00 174.62 174.97 1wh5 n LYS 23 N -0.82 0.80 -2.28 3.99 4.76 -1.26 -5.11 118.16 118.24 1wh5 n LYS 23 Ca -0.08 -1.95 -0.43 0.00 -2.87 0.00 0.00 58.31 52.98 1wh5 n LYS 23 Cb 0.56 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 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 0.39 2.44 0.65 2.13 0.08 -1.26 -5.00 117.98 117.40 1wh5 s PHE 24 Ca 0.32 0.72 -0.08 0.00 0.12 0.00 0.00 56.93 58.00 1wh5 s PHE 24 Cb 0.23 -3.88 0.01 0.00 -0.57 0.00 0.00 43.02 38.81 1wh5 s PHE 24 CO -0.21 -2.31 0.99 -0.08 -0.10 0.00 0.00 175.22 173.51 1wh5 s THR 25 N 4.56 3.53 0.32 0.64 -1.32 -1.26 -4.30 115.64 117.81 1wh5 s THR 25 Ca 0.63 0.21 0.21 0.00 -1.21 0.00 0.00 61.69 61.53 1wh5 s THR 25 Cb -0.21 -3.45 0.34 0.00 -1.51 0.00 0.00 72.50 67.67 1wh5 s THR 25 CO 0.25 -0.52 1.20 0.00 -2.21 0.00 0.00 174.62 173.33 1wh5 n ALA 26 N -2.78 0.95 -0.08 11.08 0.00 -1.26 0.21 120.51 128.62 1wh5 n ALA 26 Ca 0.06 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1wh5 n ALA 26 Cb 0.57 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.41 0.00 -0.21 0.00 2.13 -1.26 -0.24 120.64 116.66 1wh5 n GLU 27 Ca 0.30 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1wh5 n GLU 27 Cb 1.12 -1.28 0.12 0.00 0.27 0.00 0.00 31.44 31.66 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 0.42 0.46 5.31 1.08 -0.87 1.50 115.11 123.02 1wh5 h GLN 28 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1wh5 h GLN 28 Cb 0.00 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1wh5 h GLN 28 CO 0.00 0.28 -0.35 -0.22 -0.95 0.00 0.00 178.83 177.58 1wh5 h LYS 29 N 0.43 -0.76 -0.29 1.46 3.64 0.23 -1.05 116.57 120.23 1wh5 h LYS 29 Ca 0.32 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.79 1wh5 h LYS 29 Cb 0.39 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1wh5 h LYS 29 CO -0.31 -0.51 0.05 0.93 -2.27 0.00 0.00 179.45 177.34 1wh5 h GLU 30 N -0.79 0.14 -0.83 1.90 5.08 -0.22 -0.64 114.58 119.23 1wh5 h GLU 30 Ca -0.06 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.45 1wh5 h GLU 30 Cb 0.65 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.71 1wh5 h GLU 30 CO 0.02 0.10 -0.24 0.00 -1.00 0.00 0.00 179.01 177.89 1wh5 h ARG 31 N 0.15 -0.02 -0.26 2.33 2.47 0.23 1.06 114.38 120.34 1wh5 h ARG 31 Ca 0.14 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 1wh5 h ARG 31 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1wh5 h ARG 31 CO -0.19 -0.01 -0.02 0.52 0.56 0.00 0.00 179.97 180.83 1wh5 h MET 32 N -0.02 0.48 -0.35 0.04 2.86 -0.55 -1.18 114.93 116.21 1wh5 h MET 32 Ca 0.38 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1wh5 h MET 32 Cb 0.61 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 1wh5 h MET 32 CO -0.86 0.66 0.07 -0.07 1.06 0.00 0.00 176.91 177.76 1wh5 h LEU 33 N 0.25 0.01 -1.57 1.22 3.38 0.94 1.57 115.31 121.11 1wh5 h LEU 33 Ca 0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1wh5 h LEU 33 Cb 0.45 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1wh5 h LEU 33 CO 0.02 0.04 0.07 0.00 0.09 0.00 0.00 178.44 178.66 1wh5 h ALA 34 N 1.26 1.67 0.11 1.53 0.00 0.11 0.06 119.26 124.00 1wh5 h ALA 34 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wh5 h ALA 34 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wh5 h ALA 34 CO -0.22 0.26 -0.05 1.25 0.00 0.00 0.00 179.25 180.49 1wh5 h LEU 35 N 0.35 -0.12 -1.79 0.00 5.85 0.41 -2.68 115.31 117.31 1wh5 h LEU 35 Ca 0.09 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1wh5 h LEU 35 Cb 0.12 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1wh5 h LEU 35 CO -0.01 0.49 0.15 0.00 -0.34 0.00 0.00 178.44 178.74 1wh5 h ALA 36 N -0.24 1.13 -0.00 1.25 0.00 0.24 1.54 119.26 123.18 1wh5 h ALA 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wh5 h ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wh5 h ALA 36 CO 0.02 -0.13 -0.51 0.39 0.00 0.00 0.00 179.25 179.02 1wh5 n GLU 37 N -2.55 0.35 -0.00 0.00 1.02 -0.02 0.07 120.64 119.51 1wh5 n GLU 37 Ca -0.02 -0.23 0.06 0.00 -0.02 0.00 0.00 57.16 56.96 1wh5 n GLU 37 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.13 0.84 -0.05 3.49 -4.01 0.50 -4.59 116.66 111.72 1wh5 n ARG 38 Ca 0.07 -0.10 -0.05 0.00 -1.04 0.00 0.00 57.85 56.73 1wh5 n ARG 38 Cb 0.35 -1.27 -0.06 0.00 -3.04 0.00 0.00 32.46 28.43 1wh5 n ARG 38 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 1wh5 n ILE 39 N -1.83 0.61 0.00 8.89 -5.35 0.51 -5.02 119.36 117.17 1wh5 n ILE 39 Ca -0.02 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1wh5 n ILE 39 Cb 0.31 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 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 2.59 1.74 3.35 3.28 0.00 0.21 -4.41 105.19 111.94 1wh5 n GLY 40 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.01 -2.51 -3.94 1.61 7.02 0.11 -4.98 117.44 113.74 1wh5 n TRP 41 Ca 0.00 0.90 -0.10 0.00 -1.02 0.00 0.00 57.50 57.29 1wh5 n TRP 41 Cb 0.00 -4.63 -0.10 0.00 -2.42 0.00 0.00 31.31 24.16 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 -6.05 0.48 -0.13 -0.99 3.52 -1.26 -4.95 118.95 109.57 1wh5 s ARG 42 Ca 0.46 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 55.43 1wh5 s ARG 42 Cb -0.20 0.19 -0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1wh5 s ARG 42 CO 0.65 -0.11 -0.18 0.42 -0.81 0.00 0.00 175.30 175.27 1wh5 s ILE 43 N -2.03 2.52 0.30 4.11 1.01 -1.26 -4.87 121.20 120.97 1wh5 s ILE 43 Ca -0.10 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1wh5 s ILE 43 Cb -0.05 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1wh5 s ILE 43 CO -0.02 0.54 0.18 0.00 0.00 0.00 0.00 174.94 175.64 1wh5 n GLN 44 N 3.75 0.46 -0.01 2.79 6.02 -1.26 -5.02 117.38 124.11 1wh5 n GLN 44 Ca -0.19 -2.76 0.14 0.00 -0.01 0.00 0.00 57.00 54.18 1wh5 n GLN 44 Cb 0.52 1.94 0.72 0.00 1.02 0.00 0.00 30.24 34.44 1wh5 n GLN 44 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wh5 n ARG 45 N -0.61 1.19 -0.10 -1.09 0.00 -1.26 -2.32 116.66 112.48 1wh5 n ARG 45 Ca 0.02 -0.29 -0.10 0.00 -0.00 0.00 0.00 57.85 57.48 1wh5 n ARG 45 Cb 0.49 -1.44 -0.15 0.00 0.00 0.00 0.00 32.46 31.37 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 -0.60 0.89 0.02 -0.14 6.02 -1.26 -4.28 117.38 118.03 1wh5 n GLN 46 Ca 0.20 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 1wh5 n GLN 46 Cb 0.17 -1.48 0.17 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.74 0.60 -0.32 1.08 8.00 -1.20 -4.17 116.55 117.79 1wh5 n ASP 47 Ca -0.32 -0.17 0.09 0.00 0.71 0.00 0.00 54.79 55.11 1wh5 n ASP 47 Cb 1.10 0.37 0.21 0.00 -0.02 0.00 0.00 41.12 42.78 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 -0.58 -0.86 -2.24 3.58 -1.64 1.92 116.42 116.59 1wh5 h ASP 48 Ca 0.00 0.26 0.09 0.00 0.42 0.00 0.00 57.03 57.81 1wh5 h ASP 48 Cb 0.62 0.49 -0.07 0.00 1.72 0.00 0.00 39.33 42.08 1wh5 h ASP 48 CO 0.00 -0.30 0.51 -0.33 -2.88 0.00 0.00 179.24 176.24 1wh5 h GLU 49 N 0.03 0.83 -0.02 0.28 5.08 -1.86 0.54 114.58 119.46 1wh5 h GLU 49 Ca 0.51 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.62 1wh5 h GLU 49 Cb 0.95 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1wh5 h GLU 49 CO -0.89 0.55 -0.77 0.28 -1.00 0.00 0.00 179.01 177.18 1wh5 h VAL 50 N 0.85 1.35 0.37 3.13 2.07 0.19 -1.03 116.25 123.19 1wh5 h VAL 50 Ca 0.41 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1wh5 h VAL 50 Cb 0.36 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1wh5 h VAL 50 CO -0.24 0.63 -0.29 0.40 0.02 0.00 0.00 177.57 178.09 1wh5 h ILE 51 N 0.16 0.00 -0.38 4.57 1.08 0.32 1.49 117.51 124.75 1wh5 h ILE 51 Ca -0.09 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 1wh5 h ILE 51 Cb 1.44 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 1wh5 h ILE 51 CO 0.15 0.00 0.04 -0.61 -0.69 0.00 0.00 178.15 177.04 1wh5 h GLN 52 N -0.64 0.15 -0.20 2.37 4.15 -0.07 -1.14 115.11 119.74 1wh5 h GLN 52 Ca -0.05 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.40 1wh5 h GLN 52 Cb 0.53 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1wh5 h GLN 52 CO 0.01 0.10 -0.01 -0.09 -1.93 0.00 0.00 178.83 176.91 1wh5 h ARG 53 N 0.15 0.05 -0.71 1.69 9.65 -0.99 -0.92 114.38 123.30 1wh5 h ARG 53 Ca 0.18 -0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.22 1wh5 h ARG 53 Cb 0.24 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 1wh5 h ARG 53 CO -0.27 0.03 0.49 0.35 2.80 0.00 0.00 179.97 183.37 1wh5 h PHE 54 N 0.05 0.36 0.00 2.20 3.04 0.29 1.27 116.94 124.14 1wh5 h PHE 54 Ca 0.09 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1wh5 h PHE 54 Cb 0.12 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1wh5 h PHE 54 CO -0.18 0.13 0.00 0.00 -2.02 0.00 0.00 178.31 176.24 1wh5 h GLN 56 N 0.00 0.25 0.16 0.00 -0.00 0.21 0.06 115.11 115.80 1wh5 h GLN 56 Ca 0.00 -0.43 -0.32 0.00 -0.00 0.00 0.00 58.65 57.90 1wh5 h GLN 56 Cb 0.56 0.16 0.01 0.00 -0.00 0.00 0.00 27.48 28.20 1wh5 h GLN 56 CO 0.00 1.15 -1.55 1.05 -0.00 0.00 0.00 178.83 179.49 1wh5 h GLU 57 N 0.07 0.33 0.00 0.06 4.11 -1.01 -3.42 114.58 114.72 1wh5 h GLU 57 Ca -0.18 -0.57 0.00 0.00 0.07 0.00 0.00 59.36 58.68 1wh5 h GLU 57 Cb 1.99 0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.45 1wh5 h GLU 57 CO 0.18 1.22 0.00 0.25 0.07 0.00 0.00 179.01 180.74 1wh5 n THR 58 N -3.53 0.00 0.00 -1.06 -2.24 0.52 -5.04 114.28 102.93 1wh5 n THR 58 Ca -0.18 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1wh5 n THR 58 Cb 1.06 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.57 3.77 3.38 0.00 0.01 -4.41 105.19 110.31 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 -1.50 3.50 0.28 1.61 1.01 -1.26 -2.45 120.40 121.60 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 -1.97 4.63 0.15 2.72 0.04 -1.26 -4.55 135.00 134.75 1wh5 s PRO 61 Ca 0.51 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 63.04 1wh5 s PRO 61 Cb -0.28 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1wh5 s PRO 61 CO 0.36 0.22 1.58 -0.09 0.04 0.00 0.00 177.00 179.12 1wh5 h ARG 62 N 3.75 -0.34 -1.19 4.56 2.43 -1.94 0.48 114.38 122.13 1wh5 h ARG 62 Ca -0.47 0.02 0.35 0.00 -0.81 0.00 0.00 59.98 59.07 1wh5 h ARG 62 Cb 1.21 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 1wh5 h ARG 62 CO 0.67 -0.22 0.79 0.37 -1.51 0.00 0.00 179.97 180.06 1wh5 h GLN 63 N -0.35 0.21 0.00 0.20 4.15 -1.99 0.53 115.11 117.86 1wh5 h GLN 63 Ca 0.13 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1wh5 h GLN 63 Cb 0.58 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1wh5 h GLN 63 CO -0.51 0.14 -0.16 0.28 -1.93 0.00 0.00 178.83 176.64 1wh5 h VAL 64 N 0.21 1.60 -0.06 2.39 2.07 -0.64 -1.96 116.25 119.87 1wh5 h VAL 64 Ca 0.68 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1wh5 h VAL 64 Cb 2.08 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 34.72 1wh5 h VAL 64 CO -0.28 0.53 0.16 0.25 0.02 0.00 0.00 177.57 178.24 1wh5 h LEU 65 N -0.64 0.00 0.00 2.57 7.12 0.36 1.01 115.31 125.74 1wh5 h LEU 65 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1wh5 h LEU 65 Cb 0.96 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1wh5 h LEU 65 CO 0.03 0.00 -0.00 0.50 -0.13 0.00 0.00 178.44 178.84 1wh5 h LYS 66 N 0.00 0.00 -0.67 1.25 3.64 -0.11 -3.27 116.57 117.41 1wh5 h LYS 66 Ca 0.03 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1wh5 h LYS 66 Cb 0.34 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 1wh5 h LYS 66 CO -0.00 0.00 0.19 -0.39 -2.27 0.00 0.00 179.45 176.98 1wh5 h VAL 67 N -0.01 0.64 -0.69 2.00 -1.51 -1.12 -1.59 116.25 113.97 1wh5 h VAL 67 Ca 0.00 -0.11 0.06 0.00 -1.23 0.00 0.00 66.70 65.42 1wh5 h VAL 67 Cb 0.00 0.28 -0.08 0.00 -2.13 0.00 0.00 31.29 29.36 1wh5 h VAL 67 CO 0.00 0.06 -0.40 1.87 -1.23 0.00 0.00 177.57 177.86 1wh5 n TRP 68 N -5.08 -0.30 -0.31 5.19 -0.00 0.35 0.23 117.44 117.52 1wh5 n TRP 68 Ca 0.11 0.86 0.11 0.00 -0.00 0.00 0.00 57.50 58.59 1wh5 n TRP 68 Cb 0.37 -0.55 0.25 0.00 -0.00 0.00 0.00 31.31 31.38 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 -0.36 -0.66 5.87 3.38 -1.34 1.77 115.31 123.97 1wh5 h LEU 69 Ca 0.11 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 1wh5 h LEU 69 Cb 0.28 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1wh5 h LEU 69 CO -0.65 -0.27 -0.23 -0.74 0.09 0.00 0.00 178.44 176.64 1wh5 h HIS 70 N 0.07 0.90 0.00 1.13 2.76 0.23 1.28 115.15 121.52 1wh5 h HIS 70 Ca 0.54 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1wh5 h HIS 70 Cb 1.06 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1wh5 h HIS 70 CO -0.44 0.95 0.00 -0.91 -1.30 0.00 0.00 177.93 176.23 1wh5 h ASN 71 N 0.69 0.00 0.00 3.26 2.35 1.41 -3.33 115.58 119.96 1wh5 h ASN 71 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1wh5 h ASN 71 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1wh5 h ASN 71 CO 0.06 0.00 -0.14 0.59 -1.65 0.00 0.00 177.43 176.29 1wh5 n ASN 72 N -2.71 0.29 -4.55 5.81 3.02 0.43 -4.82 115.26 112.74 1wh5 n ASN 72 Ca 0.01 0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 1wh5 n ASN 72 Cb 0.28 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.27 2.23 0.22 3.52 -2.85 0.43 -4.85 119.74 117.18 1wh5 s LYS 73 Ca -0.04 1.08 -0.21 0.00 -1.00 0.00 0.00 55.97 55.80 1wh5 s LYS 73 Cb 0.01 -4.55 0.04 0.00 -2.06 0.00 0.00 37.83 31.26 1wh5 s LYS 73 CO 0.06 -3.20 0.63 -1.58 0.10 0.00 0.00 175.35 171.37 1wh5 s HIS 74 N 11.41 -0.27 -0.26 1.78 2.46 -1.26 -4.65 115.29 124.51 1wh5 s HIS 74 Ca 0.88 -0.09 -0.05 0.00 0.47 0.00 0.00 55.06 56.27 1wh5 s HIS 74 Cb -0.15 0.58 -0.16 0.00 -0.13 0.00 0.00 32.58 32.72 1wh5 s HIS 74 CO 0.23 -1.04 -0.23 -1.13 -2.47 0.00 0.00 174.74 170.10 1wh5 n SER 75 N -0.41 1.98 -4.03 9.88 3.41 -1.26 -4.82 113.62 118.37 1wh5 n SER 75 Ca -0.09 0.07 -0.32 0.00 -0.26 0.00 0.00 58.87 58.26 1wh5 n SER 75 Cb 0.62 -0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 1wh5 n SER 75 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wh5 s GLY 76 N -6.05 2.14 0.97 5.00 0.00 -1.26 -5.10 107.32 103.02 1wh5 s GLY 76 Ca -0.36 -2.81 -0.14 0.00 0.00 0.00 0.00 44.72 41.41 1wh5 s GLY 76 CO 0.57 0.99 1.17 2.56 0.00 0.00 0.00 173.10 178.39 1wh5 s PRO 77 N 0.53 0.66 0.07 2.90 0.04 -1.26 -4.93 135.00 133.00 1wh5 s PRO 77 Ca 0.13 0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.96 1wh5 s PRO 77 Cb -0.22 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1wh5 s PRO 77 CO -0.05 -2.49 1.92 -1.13 0.04 0.00 0.00 177.00 175.29 1wh5 n SER 78 N -3.93 4.08 -4.72 6.66 3.41 -1.26 -4.97 113.62 112.89 1wh5 n SER 78 Ca 0.09 0.94 -0.23 0.00 -0.26 0.00 0.00 58.87 59.41 1wh5 n SER 78 Cb 0.59 -1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 62.96 1wh5 n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wh5 s SER 79 N 3.73 4.96 0.00 4.04 0.01 -1.26 -5.29 113.70 119.89 1wh5 s SER 79 Ca 0.86 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1wh5 s SER 79 Cb -0.47 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1wh5 s SER 79 CO 0.41 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.67