#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 1.67 -0.12 1.61 1.04 -1.26 -5.11 113.70 111.53 1wh5 s SER 2 Ca 0.00 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 55.93 1wh5 s SER 2 Cb 0.00 -0.19 0.07 0.00 0.10 0.00 0.00 66.02 65.99 1wh5 s SER 2 CO 0.00 -0.29 0.68 -0.94 0.98 0.00 0.00 173.24 173.67 1wh5 s SER 3 N 2.15 -0.68 0.37 7.02 1.04 -1.26 -5.11 113.70 117.23 1wh5 s SER 3 Ca 0.04 0.95 0.08 0.00 0.48 0.00 0.00 55.95 57.50 1wh5 s SER 3 Cb -0.14 0.84 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 1wh5 s SER 3 CO -0.06 -0.48 -0.00 -0.83 0.98 0.00 0.00 173.24 172.85 1wh5 s GLY 4 N -0.66 2.26 -0.61 7.32 0.00 -1.26 -5.09 107.32 109.29 1wh5 s GLY 4 Ca -0.07 -2.12 -0.23 0.00 0.00 0.00 0.00 44.72 42.30 1wh5 s GLY 4 CO 0.07 -2.00 0.92 -0.56 0.00 0.00 0.00 173.10 171.52 1wh5 s SER 5 N -3.70 6.23 -0.37 1.64 0.01 -1.26 -4.92 113.70 111.33 1wh5 s SER 5 Ca 0.35 -0.77 0.05 0.00 1.31 0.00 0.00 55.95 56.89 1wh5 s SER 5 Cb 0.04 -2.41 0.17 0.00 0.21 0.00 0.00 66.02 64.03 1wh5 s SER 5 CO 0.18 -1.31 0.49 -0.44 0.41 0.00 0.00 173.24 172.58 1wh5 s SER 6 N 3.29 -0.17 0.00 2.44 0.01 -1.26 -5.12 113.70 112.89 1wh5 s SER 6 Ca 0.24 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1wh5 s SER 6 Cb -0.16 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.34 1wh5 s SER 6 CO 0.13 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1wh5 n GLY 7 N 4.52 3.82 3.77 3.44 0.00 -1.26 -5.08 105.19 114.39 1wh5 n GLY 7 Ca 0.09 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 6.90 0.13 1.61 0.15 -1.26 -4.99 113.70 116.24 1wh5 s SER 8 Ca 0.00 1.07 -0.31 0.00 0.70 0.00 0.00 55.95 57.41 1wh5 s SER 8 Cb 0.00 -2.33 -0.08 0.00 -1.71 0.00 0.00 66.02 61.90 1wh5 s SER 8 CO 0.00 0.12 1.56 0.28 1.20 0.00 0.00 173.24 176.40 1wh5 h SER 9 N 5.68 -1.57 -3.81 5.45 0.02 -1.94 -3.46 113.55 113.92 1wh5 h SER 9 Ca -0.45 0.21 0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1wh5 h SER 9 Cb 1.20 0.64 -0.05 0.00 0.14 0.00 0.00 62.40 64.33 1wh5 h SER 9 CO 0.69 -0.44 -0.98 0.00 -1.14 0.00 0.00 176.83 174.97 1wh5 n ALA 10 N -3.01 -2.32 -2.52 3.77 0.00 -1.26 -4.44 120.51 110.73 1wh5 n ALA 10 Ca -0.04 0.57 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 1wh5 n ALA 10 Cb 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1wh5 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wh5 n GLU 11 N -3.00 3.19 -2.56 0.00 -0.58 -1.26 -4.52 120.64 111.90 1wh5 n GLU 11 Ca -0.03 -3.27 -0.03 0.00 -0.42 0.00 0.00 57.16 53.42 1wh5 n GLU 11 Cb 0.50 -3.42 -0.02 0.00 -0.57 0.00 0.00 31.44 27.93 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wh5 n ALA 12 N 7.78 -3.56 0.00 0.62 0.00 -1.26 -5.04 120.51 119.05 1wh5 n ALA 12 Ca 0.48 1.30 0.00 0.00 0.00 0.00 0.00 53.44 55.22 1wh5 n ALA 12 Cb 0.45 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 1.07 3.73 0.00 0.00 0.00 -1.26 -5.16 105.19 103.57 1wh5 n GLY 13 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 1.52 0.81 -0.02 0.00 -1.26 -4.62 105.19 101.62 1wh5 n GLY 14 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.54 3.17 -0.02 0.00 -1.26 -4.89 105.19 100.65 1wh5 n GLY 15 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 2.56 -0.16 -0.61 2.07 -1.26 -5.08 121.20 118.72 1wh5 s ILE 16 Ca 0.00 -1.02 -0.29 0.00 -1.41 0.00 0.00 60.65 57.93 1wh5 s ILE 16 Cb 0.00 -2.24 0.09 0.00 0.13 0.00 0.00 42.46 40.44 1wh5 s ILE 16 CO 0.00 0.30 0.81 0.00 -1.91 0.00 0.00 174.94 174.15 1wh5 s ARG 17 N 1.30 0.83 -0.55 3.50 1.70 -1.26 -5.11 118.95 119.35 1wh5 s ARG 17 Ca 0.01 0.44 0.04 0.00 -0.47 0.00 0.00 55.73 55.75 1wh5 s ARG 17 Cb -0.16 0.39 0.14 0.00 -0.57 0.00 0.00 34.95 34.76 1wh5 s ARG 17 CO -0.07 -0.21 0.32 0.21 -1.08 0.00 0.00 175.30 174.47 1wh5 s LYS 18 N -0.63 1.95 -0.51 3.89 2.47 -1.26 -4.94 119.74 120.71 1wh5 s LYS 18 Ca -0.04 -2.70 0.07 0.00 -1.56 0.00 0.00 55.97 51.73 1wh5 s LYS 18 Cb -0.02 -3.11 0.21 0.00 -1.46 0.00 0.00 37.83 33.45 1wh5 s LYS 18 CO 0.04 -1.18 0.78 -2.13 0.16 0.00 0.00 175.35 173.02 1wh5 n ARG 19 N 2.86 0.62 0.00 4.03 0.63 -1.26 -5.02 116.66 118.52 1wh5 n ARG 19 Ca 0.10 -1.96 0.00 0.00 -0.92 0.00 0.00 57.85 55.08 1wh5 n ARG 19 Cb 0.34 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.78 1wh5 n ARG 19 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1wh5 n HIS 20 N 2.50 0.00 -2.35 -0.14 1.44 -1.26 -5.14 115.22 110.27 1wh5 n HIS 20 Ca 0.15 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1wh5 n HIS 20 Cb 0.58 0.39 -0.00 0.00 0.12 0.00 0.00 29.99 31.07 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 -2.42 -4.58 -4.22 -1.40 0.63 -1.26 -5.02 116.66 98.39 1wh5 n ARG 21 Ca 0.00 3.33 -0.24 0.00 -0.92 0.00 0.00 57.85 60.02 1wh5 n ARG 21 Cb 0.00 -4.28 -0.07 0.00 0.45 0.00 0.00 32.46 28.57 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 -0.54 3.80 -1.00 5.15 -4.23 -1.26 -5.06 115.64 112.50 1wh5 s THR 22 Ca -0.02 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1wh5 s THR 22 Cb 0.00 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 71.08 1wh5 s THR 22 CO 0.06 -0.27 1.01 -0.75 -0.54 0.00 0.00 174.62 174.14 1wh5 s LYS 23 N -3.44 3.93 -0.23 3.99 2.36 -1.26 -5.01 119.74 120.08 1wh5 s LYS 23 Ca 0.30 -2.78 -0.29 0.00 -2.55 0.00 0.00 55.97 50.65 1wh5 s LYS 23 Cb -0.08 -4.58 -0.02 0.00 -1.05 0.00 0.00 37.83 32.11 1wh5 s LYS 23 CO 0.21 -1.34 1.42 -0.06 1.55 0.00 0.00 175.35 177.13 1wh5 s PHE 24 N -0.20 2.47 0.66 4.03 0.08 -1.26 -5.01 117.98 118.75 1wh5 s PHE 24 Ca 0.27 0.74 -0.03 0.00 0.12 0.00 0.00 56.93 58.03 1wh5 s PHE 24 Cb -0.09 -3.86 0.06 0.00 -0.57 0.00 0.00 43.02 38.57 1wh5 s PHE 24 CO -0.08 -2.28 0.93 -0.08 -0.10 0.00 0.00 175.22 173.62 1wh5 s THR 25 N 4.46 2.39 0.23 0.64 -1.32 -1.26 -4.52 115.64 116.26 1wh5 s THR 25 Ca 0.62 -0.46 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 1wh5 s THR 25 Cb -0.22 -2.94 0.36 0.00 -1.51 0.00 0.00 72.50 68.19 1wh5 s THR 25 CO 0.24 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.89 1wh5 n ALA 26 N -2.72 0.26 -0.20 11.08 0.00 -1.26 0.19 120.51 127.86 1wh5 n ALA 26 Ca 0.09 0.87 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1wh5 n ALA 26 Cb 0.60 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -5.24 0.00 -0.24 0.00 2.13 -1.26 0.19 120.64 116.22 1wh5 n GLU 27 Ca 0.15 0.53 0.04 0.00 0.66 0.00 0.00 57.16 58.54 1wh5 n GLU 27 Cb 0.47 -1.40 0.16 0.00 0.27 0.00 0.00 31.44 30.94 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 0.24 0.57 5.31 1.08 -1.25 1.73 115.11 122.78 1wh5 h GLN 28 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1wh5 h GLN 28 Cb 0.00 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1wh5 h GLN 28 CO 0.00 0.16 -0.41 0.87 -0.95 0.00 0.00 178.83 178.50 1wh5 h LYS 29 N 0.24 -0.90 -0.77 1.46 1.57 0.22 0.93 116.57 119.32 1wh5 h LYS 29 Ca 0.39 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.30 1wh5 h LYS 29 Cb 0.65 0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.10 1wh5 h LYS 29 CO -0.50 -0.60 0.44 0.93 -0.57 0.00 0.00 179.45 179.15 1wh5 h GLU 30 N -0.93 0.76 -0.22 3.15 5.08 0.30 0.38 114.58 123.09 1wh5 h GLU 30 Ca -0.08 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1wh5 h GLU 30 Cb 0.77 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1wh5 h GLU 30 CO 0.04 0.50 -0.23 0.00 -1.00 0.00 0.00 179.01 178.32 1wh5 h ARG 31 N 0.78 -0.24 -0.31 2.33 2.47 0.29 1.56 114.38 121.27 1wh5 h ARG 31 Ca 0.35 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 59.02 1wh5 h ARG 31 Cb 0.25 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1wh5 h ARG 31 CO -0.21 -0.16 -0.08 0.52 0.56 0.00 0.00 179.97 180.60 1wh5 h MET 32 N -0.25 0.60 -0.37 0.04 2.86 -0.16 -0.52 114.93 117.14 1wh5 h MET 32 Ca 0.13 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1wh5 h MET 32 Cb 0.44 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1wh5 h MET 32 CO -0.36 0.79 0.21 -0.07 1.06 0.00 0.00 176.91 178.54 1wh5 h LEU 33 N 0.37 0.35 -1.58 1.22 3.38 0.35 2.01 115.31 121.40 1wh5 h LEU 33 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1wh5 h LEU 33 Cb 0.58 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wh5 h LEU 33 CO 0.03 0.25 -0.21 0.00 0.09 0.00 0.00 178.44 178.60 1wh5 h ALA 34 N 1.16 1.62 0.02 1.53 0.00 0.23 -0.12 119.26 123.70 1wh5 h ALA 34 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wh5 h ALA 34 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wh5 h ALA 34 CO -0.07 0.27 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 1wh5 h LEU 35 N 0.00 -0.03 -1.93 0.00 5.85 0.53 -3.16 115.31 116.57 1wh5 h LEU 35 Ca -0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1wh5 h LEU 35 Cb 0.39 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1wh5 h LEU 35 CO 0.03 0.73 0.17 0.00 -0.34 0.00 0.00 178.44 179.03 1wh5 h ALA 36 N -0.38 1.15 -0.00 1.25 0.00 0.33 1.49 119.26 123.09 1wh5 h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wh5 h ALA 36 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wh5 h ALA 36 CO 0.01 -0.15 -0.28 0.39 0.00 0.00 0.00 179.25 179.22 1wh5 n GLU 37 N -2.65 0.34 -0.00 0.00 1.02 -0.07 0.09 120.64 119.37 1wh5 n GLU 37 Ca -0.02 -0.16 0.06 0.00 -0.02 0.00 0.00 57.16 57.02 1wh5 n GLU 37 Cb 0.21 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.19 1.11 -0.06 3.49 1.85 0.50 -4.58 116.66 117.77 1wh5 n ARG 38 Ca 0.09 -0.08 -0.07 0.00 -1.00 0.00 0.00 57.85 56.80 1wh5 n ARG 38 Cb 0.32 -1.22 -0.08 0.00 -1.05 0.00 0.00 32.46 30.43 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 -1.74 0.78 0.00 8.89 -5.35 -0.29 -5.02 119.36 116.63 1wh5 n ILE 39 Ca -0.01 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1wh5 n ILE 39 Cb 0.27 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 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 2.45 1.89 3.57 3.28 0.00 0.10 -4.39 105.19 112.09 1wh5 n GLY 40 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.94 -2.76 -3.92 1.61 7.02 0.11 -4.99 117.44 113.58 1wh5 n TRP 41 Ca 0.00 1.00 -0.09 0.00 -1.02 0.00 0.00 57.50 57.39 1wh5 n TRP 41 Cb 0.00 -5.05 -0.09 0.00 -2.42 0.00 0.00 31.31 23.75 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 -6.13 0.61 -0.04 -0.99 3.52 -1.26 -4.95 118.95 109.70 1wh5 s ARG 42 Ca 0.48 -0.75 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 1wh5 s ARG 42 Cb -0.21 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1wh5 s ARG 42 CO 0.73 -0.16 -0.22 0.42 -0.81 0.00 0.00 175.30 175.27 1wh5 s ILE 43 N -2.66 2.41 0.32 4.11 1.01 -1.26 -4.86 121.20 120.27 1wh5 s ILE 43 Ca -0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1wh5 s ILE 43 Cb -0.01 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1wh5 s ILE 43 CO -0.05 0.58 0.47 -1.10 0.00 0.00 0.00 174.94 174.84 1wh5 s GLN 44 N -0.55 1.82 0.30 2.79 -0.21 -1.26 -5.02 119.66 117.53 1wh5 s GLN 44 Ca 0.08 -1.64 0.04 0.00 0.02 0.00 0.00 55.36 53.85 1wh5 s GLN 44 Cb -0.11 0.45 0.47 0.00 1.00 0.00 0.00 33.01 34.82 1wh5 s GLN 44 CO 0.00 -0.75 1.75 -0.09 -2.12 0.00 0.00 175.29 174.08 1wh5 h ARG 45 N 2.16 0.43 -0.07 2.91 9.65 -2.00 0.93 114.38 128.40 1wh5 h ARG 45 Ca -0.28 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.42 1wh5 h ARG 45 Cb 1.24 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1wh5 h ARG 45 CO 0.39 0.64 -0.04 1.96 2.80 0.00 0.00 179.97 185.72 1wh5 h GLN 46 N 0.38 0.14 0.00 0.20 4.20 -2.03 -3.00 115.11 115.01 1wh5 h GLN 46 Ca 0.06 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1wh5 h GLN 46 Cb 0.62 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1wh5 h GLN 46 CO 0.04 0.54 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.12 1wh5 h ASP 47 N -0.26 0.00 -1.03 1.46 3.32 -1.93 -3.21 116.42 114.78 1wh5 h ASP 47 Ca 0.01 0.00 0.42 0.00 0.02 0.00 0.00 57.03 57.49 1wh5 h ASP 47 Cb 0.50 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.88 1wh5 h ASP 47 CO 0.01 0.18 0.57 -0.67 -1.72 0.00 0.00 179.24 177.61 1wh5 n ASP 48 N -3.22 0.34 0.05 6.45 -0.08 0.32 0.20 116.55 120.61 1wh5 n ASP 48 Ca 0.02 1.63 -0.13 0.00 -1.51 0.00 0.00 54.79 54.80 1wh5 n ASP 48 Cb 0.50 -0.80 -0.08 0.00 2.34 0.00 0.00 41.12 43.09 1wh5 n ASP 48 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1wh5 h GLU 49 N 0.00 -0.08 -0.36 -0.67 4.81 -1.69 0.49 114.58 117.09 1wh5 h GLU 49 Ca 0.85 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.96 1wh5 h GLU 49 Cb 2.29 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.68 1wh5 h GLU 49 CO -0.74 0.09 -0.28 0.28 -0.73 0.00 0.00 179.01 177.63 1wh5 h VAL 50 N -0.23 1.28 0.00 0.32 2.07 0.15 -0.32 116.25 119.52 1wh5 h VAL 50 Ca -0.01 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1wh5 h VAL 50 Cb 0.20 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1wh5 h VAL 50 CO 0.01 0.47 0.00 -0.38 0.02 0.00 0.00 177.57 177.69 1wh5 n ILE 51 N -4.09 0.00 -0.32 4.57 2.08 0.52 0.15 119.36 122.27 1wh5 n ILE 51 Ca -0.01 1.28 0.31 0.00 0.56 0.00 0.00 62.75 64.90 1wh5 n ILE 51 Cb 0.46 -2.26 0.68 0.00 -0.75 0.00 0.00 39.64 37.77 1wh5 n ILE 51 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1wh5 h GLN 52 N 0.00 0.11 0.37 0.38 4.20 -0.10 -0.59 115.11 119.48 1wh5 h GLN 52 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1wh5 h GLN 52 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1wh5 h GLN 52 CO 0.00 0.07 -0.18 -0.09 -0.67 0.00 0.00 178.83 177.97 1wh5 h ARG 53 N 0.12 -0.48 -0.84 1.46 9.65 -0.89 -3.17 114.38 120.22 1wh5 h ARG 53 Ca 0.58 0.03 0.24 0.00 -1.10 0.00 0.00 59.98 59.73 1wh5 h ARG 53 Cb 2.03 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 30.69 1wh5 h ARG 53 CO -0.10 -0.30 0.85 0.35 2.80 0.00 0.00 179.97 183.57 1wh5 h PHE 54 N -1.12 0.00 0.00 2.20 3.04 0.28 2.23 116.94 123.57 1wh5 h PHE 54 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1wh5 h PHE 54 Cb 0.40 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1wh5 h PHE 54 CO 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.30 1wh5 n GLN 56 N -2.59 0.68 0.22 0.00 10.64 0.75 -0.36 117.38 126.72 1wh5 n GLN 56 Ca -0.02 0.09 0.10 0.00 -1.83 0.00 0.00 57.00 55.35 1wh5 n GLN 56 Cb 0.08 -1.57 0.44 0.00 -0.86 0.00 0.00 30.24 28.33 1wh5 n GLN 56 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1wh5 h GLU 57 N 0.01 0.00 0.00 2.61 -0.00 -0.95 -3.32 114.58 112.92 1wh5 h GLU 57 Ca -0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.77 1wh5 h GLU 57 Cb 2.11 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.84 1wh5 h GLU 57 CO 0.01 0.22 -1.26 0.25 -0.00 0.00 0.00 179.01 178.23 1wh5 n THR 58 N -3.36 0.26 -0.11 -1.06 -2.24 0.49 -5.02 114.28 103.23 1wh5 n THR 58 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1wh5 n THR 58 Cb 0.44 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 3.17 0.54 3.77 3.38 0.00 0.51 -4.90 105.19 111.66 1wh5 n GLY 59 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.24 3.69 0.43 1.61 1.01 -1.18 -4.60 120.40 119.10 1wh5 s VAL 60 Ca 0.00 1.50 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 1wh5 s VAL 60 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 1wh5 s VAL 60 CO 0.00 0.21 1.05 -2.16 0.00 0.00 0.00 175.10 174.20 1wh5 s PRO 61 N -1.90 4.05 0.07 2.72 0.04 -1.26 -4.33 135.00 134.39 1wh5 s PRO 61 Ca 0.50 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1wh5 s PRO 61 Cb -0.26 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.75 1wh5 s PRO 61 CO 0.33 -0.24 1.40 -0.09 0.04 0.00 0.00 177.00 178.44 1wh5 h ARG 62 N 2.22 -0.59 -1.43 4.56 2.43 -1.95 0.39 114.38 120.02 1wh5 h ARG 62 Ca -0.49 0.04 0.47 0.00 -0.81 0.00 0.00 59.98 59.20 1wh5 h ARG 62 Cb 1.22 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.77 1wh5 h ARG 62 CO 0.61 -0.39 0.94 0.37 -1.51 0.00 0.00 179.97 179.99 1wh5 h GLN 63 N -0.61 0.03 0.01 0.20 4.15 -1.99 1.06 115.11 117.96 1wh5 h GLN 63 Ca -0.02 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wh5 h GLN 63 Cb 0.58 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1wh5 h GLN 63 CO -0.15 0.02 -0.01 0.28 -1.93 0.00 0.00 178.83 177.05 1wh5 h VAL 64 N 0.03 1.54 -0.69 2.39 2.07 -1.45 -2.31 116.25 117.83 1wh5 h VAL 64 Ca 0.87 -1.77 0.20 0.00 0.82 0.00 0.00 66.70 66.82 1wh5 h VAL 64 Cb 2.85 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 35.31 1wh5 h VAL 64 CO -0.39 0.45 0.55 0.25 0.02 0.00 0.00 177.57 178.44 1wh5 h LEU 65 N -0.79 0.00 0.00 2.57 7.12 0.52 1.36 115.31 126.08 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 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 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 -4.09 0.00 -0.26 1.25 4.81 0.82 -3.22 118.16 117.46 1wh5 n LYS 66 Ca 0.14 0.38 0.07 0.00 -0.87 0.00 0.00 58.31 58.02 1wh5 n LYS 66 Cb 0.81 -1.01 0.20 0.00 0.02 0.00 0.00 35.03 35.06 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 0.48 -0.70 3.15 -1.51 -1.04 -0.66 116.25 115.97 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 0.19 -0.08 0.00 -2.13 0.00 0.00 31.29 29.26 1wh5 h VAL 67 CO 0.00 0.05 -0.41 1.87 -1.23 0.00 0.00 177.57 177.85 1wh5 n TRP 68 N -5.17 -0.31 -0.29 5.19 -0.00 0.46 0.24 117.44 117.57 1wh5 n TRP 68 Ca 0.16 0.87 0.08 0.00 -0.00 0.00 0.00 57.50 58.61 1wh5 n TRP 68 Cb 0.50 -0.55 0.19 0.00 -0.00 0.00 0.00 31.31 31.46 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 -0.45 -0.96 5.87 3.38 -1.09 1.80 115.31 123.87 1wh5 h LEU 69 Ca 0.11 0.23 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 1wh5 h LEU 69 Cb 0.29 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1wh5 h LEU 69 CO -0.66 -0.24 -0.19 -0.74 0.09 0.00 0.00 178.44 176.70 1wh5 h HIS 70 N 0.07 0.59 0.00 1.13 2.76 0.23 1.41 115.15 121.34 1wh5 h HIS 70 Ca 0.47 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.49 1wh5 h HIS 70 Cb 0.86 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1wh5 h HIS 70 CO -0.48 0.69 -0.17 -0.91 -1.30 0.00 0.00 177.93 175.76 1wh5 h ASN 71 N 0.49 0.00 0.00 3.26 2.35 1.42 -3.36 115.58 119.74 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 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1wh5 h ASN 71 CO 0.04 0.17 0.00 0.59 -1.65 0.00 0.00 177.43 176.58 1wh5 n ASN 72 N -3.28 0.00 -4.17 5.81 3.02 0.48 -4.85 115.26 112.28 1wh5 n ASN 72 Ca 0.01 0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.41 1wh5 n ASN 72 Cb 0.43 -0.49 0.24 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.33 -2.69 -2.80 3.52 2.85 0.47 -4.51 118.16 112.67 1wh5 n LYS 73 Ca 0.00 -0.77 -0.02 0.00 -1.05 0.00 0.00 58.31 56.47 1wh5 n LYS 73 Cb 0.00 -1.94 -0.01 0.00 -0.65 0.00 0.00 35.03 32.43 1wh5 n LYS 73 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1wh5 n HIS 74 N -4.97 -3.16 -1.68 5.58 -0.00 -1.26 -4.72 115.22 105.01 1wh5 n HIS 74 Ca 0.03 1.58 -0.46 0.00 0.46 0.00 0.00 57.72 59.34 1wh5 n HIS 74 Cb 0.56 -3.24 -0.04 0.00 -0.12 0.00 0.00 29.99 27.15 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 1.27 3.50 0.00 0.26 7.64 -1.26 -4.62 113.62 120.41 1wh5 n SER 75 Ca -0.12 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1wh5 n SER 75 Cb 0.27 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 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 3.97 1.33 3.56 0.23 0.00 -1.26 -5.04 105.19 107.99 1wh5 n GLY 76 Ca 0.19 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.09 -0.30 1.61 0.04 -1.26 -4.79 135.00 133.39 1wh5 s PRO 77 Ca 0.00 -0.75 -0.17 0.00 0.04 0.00 0.00 61.00 60.12 1wh5 s PRO 77 Cb 0.00 -5.22 0.18 0.00 0.04 0.00 0.00 34.50 29.50 1wh5 s PRO 77 CO 0.00 -2.79 1.17 -1.12 0.04 0.00 0.00 177.00 174.30 1wh5 s SER 78 N 6.43 -0.23 0.01 6.66 0.01 -1.26 -5.08 113.70 120.24 1wh5 s SER 78 Ca 0.58 0.21 -0.05 0.00 1.31 0.00 0.00 55.95 58.00 1wh5 s SER 78 Cb -0.03 1.22 -0.02 0.00 0.21 0.00 0.00 66.02 67.40 1wh5 s SER 78 CO -0.05 -0.04 -0.10 -0.24 0.41 0.00 0.00 173.24 173.22 1wh5 n SER 79 N 5.16 1.28 0.00 2.44 2.88 -1.26 -5.20 113.62 118.92 1wh5 n SER 79 Ca -0.08 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1wh5 n SER 79 Cb 0.54 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1wh5 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42