#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 s SER 2 N 0.00 -0.41 0.18 1.61 1.04 -1.26 -5.18 113.70 109.67 1wh7 s SER 2 Ca 0.00 0.51 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 1wh7 s SER 2 Cb 0.00 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.58 1wh7 s SER 2 CO 0.00 -0.34 0.56 -0.44 0.98 0.00 0.00 173.24 173.99 1wh7 s SER 3 N -0.92 -0.38 0.00 7.02 0.01 -1.26 -5.04 113.70 113.13 1wh7 s SER 3 Ca -0.02 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1wh7 s SER 3 Cb -0.01 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1wh7 s SER 3 CO 0.01 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1wh7 n GLY 4 N -0.35 1.78 3.80 3.44 0.00 -1.26 -5.11 105.19 107.49 1wh7 n GLY 4 Ca -0.13 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1wh7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh7 s SER 5 N -0.38 5.35 -0.32 1.61 1.04 -1.26 -5.04 113.70 114.71 1wh7 s SER 5 Ca 0.00 1.73 -0.11 0.00 0.48 0.00 0.00 55.95 58.05 1wh7 s SER 5 Cb 0.00 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 63.80 1wh7 s SER 5 CO 0.00 -1.47 1.09 -0.44 0.98 0.00 0.00 173.24 173.41 1wh7 s SER 6 N -3.36 -0.20 0.00 7.02 0.01 -1.26 -5.10 113.70 110.81 1wh7 s SER 6 Ca 0.61 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1wh7 s SER 6 Cb -0.15 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wh7 s SER 6 CO 0.49 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1wh7 n GLY 7 N 3.55 -1.47 0.00 3.44 0.00 -1.26 -5.09 105.19 104.36 1wh7 n GLY 7 Ca 0.05 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1wh7 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh7 n SER 8 N 0.00 0.00 -4.69 1.61 7.64 -1.26 -5.03 113.62 111.89 1wh7 n SER 8 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wh7 n SER 8 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1wh7 n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wh7 s ASN 9 N 0.00 7.21 0.03 6.43 -0.87 -1.26 -4.94 114.94 121.55 1wh7 s ASN 9 Ca 0.00 1.64 -0.18 0.00 -1.57 0.00 0.00 52.86 52.75 1wh7 s ASN 9 Cb 0.00 -2.56 -0.21 0.00 -0.02 0.00 0.00 41.25 38.46 1wh7 s ASN 9 CO 0.00 -0.45 1.17 1.55 -2.57 0.00 0.00 177.10 176.80 1wh7 h PRO 10 N 7.12 0.52 0.00 -0.60 0.13 -2.06 -3.46 132.00 133.65 1wh7 h PRO 10 Ca -0.34 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1wh7 h PRO 10 Cb 1.16 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wh7 h PRO 10 CO 0.84 1.14 0.00 0.43 -0.23 0.00 0.00 178.00 180.19 1wh7 n SER 11 N -4.13 0.00 -4.56 1.44 7.64 -1.26 -4.66 113.62 108.08 1wh7 n SER 11 Ca -0.10 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.36 1wh7 n SER 11 Cb 0.70 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.84 1wh7 n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh7 s SER 12 N -0.47 6.45 0.32 6.43 0.01 -1.26 -5.04 113.70 120.14 1wh7 s SER 12 Ca 0.00 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1wh7 s SER 12 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1wh7 s SER 12 CO 0.00 -0.74 0.50 -0.55 0.41 0.00 0.00 173.24 172.87 1wh7 s SER 13 N 1.92 6.31 0.00 2.44 0.15 -1.26 -5.02 113.70 118.24 1wh7 s SER 13 Ca 0.28 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wh7 s SER 13 Cb -0.13 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1wh7 s SER 13 CO 0.18 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1wh7 n GLY 14 N -1.62 2.85 0.00 9.45 0.00 -1.26 -5.03 105.19 109.59 1wh7 n GLY 14 Ca -0.05 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1wh7 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh7 n GLY 15 N 0.85 -2.03 3.73 -0.02 0.00 -1.26 -4.83 105.19 101.62 1wh7 n GLY 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1wh7 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wh7 s THR 16 N -0.24 2.84 -0.29 2.61 2.01 -1.26 -5.06 115.64 116.25 1wh7 s THR 16 Ca 0.00 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 1wh7 s THR 16 Cb 0.00 -2.72 0.14 0.00 0.01 0.00 0.00 72.50 69.94 1wh7 s THR 16 CO 0.00 -0.36 0.94 -0.89 -0.69 0.00 0.00 174.62 173.62 1wh7 s THR 17 N -2.89 -0.15 0.21 -0.82 2.01 -1.26 -5.04 115.64 107.70 1wh7 s THR 17 Ca 0.63 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.43 1wh7 s THR 17 Cb -0.18 -1.00 0.18 0.00 0.01 0.00 0.00 72.50 71.50 1wh7 s THR 17 CO 0.57 0.00 1.55 0.07 -0.69 0.00 0.00 174.62 176.12 1wh7 h LYS 18 N 6.52 -0.02 -5.32 4.92 2.10 -2.02 -3.35 116.57 119.41 1wh7 h LYS 18 Ca -0.25 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 57.95 1wh7 h LYS 18 Cb 1.18 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 1wh7 h LYS 18 CO 0.17 -0.02 1.62 0.54 -2.00 0.00 0.00 179.45 179.76 1wh7 n ARG 19 N -5.43 0.54 -2.59 0.07 1.74 -1.26 -4.86 116.66 104.87 1wh7 n ARG 19 Ca 0.08 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1wh7 n ARG 19 Cb 0.37 -2.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.23 1wh7 n ARG 19 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wh7 s PHE 20 N 10.53 3.36 0.20 -1.55 0.08 -1.26 -5.03 117.98 124.32 1wh7 s PHE 20 Ca 1.15 1.42 0.09 0.00 0.12 0.00 0.00 56.93 59.71 1wh7 s PHE 20 Cb -0.64 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 38.47 1wh7 s PHE 20 CO 0.36 -0.71 -0.05 -0.98 -0.10 0.00 0.00 175.22 173.74 1wh7 s ARG 21 N 2.19 2.20 0.34 0.44 1.70 -1.26 -5.08 118.95 119.48 1wh7 s ARG 21 Ca 0.51 -1.28 -0.24 0.00 -0.47 0.00 0.00 55.73 54.26 1wh7 s ARG 21 Cb -0.21 -2.20 -0.16 0.00 -0.57 0.00 0.00 34.95 31.81 1wh7 s ARG 21 CO 0.19 0.42 0.29 0.25 -1.08 0.00 0.00 175.30 175.37 1wh7 n THR 22 N -0.27 1.22 -4.12 4.99 -2.24 -1.26 -4.96 114.28 107.65 1wh7 n THR 22 Ca -0.09 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 1wh7 n THR 22 Cb 0.56 -0.08 -0.17 0.00 -2.10 0.00 0.00 70.33 68.55 1wh7 n THR 22 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wh7 s LYS 23 N -1.08 2.18 0.37 -0.78 2.20 -1.26 -5.12 119.74 116.25 1wh7 s LYS 23 Ca 0.61 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1wh7 s LYS 23 Cb -0.73 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 1wh7 s LYS 23 CO 0.60 -0.20 0.10 -0.06 -0.36 0.00 0.00 175.35 175.43 1wh7 s PHE 24 N 1.39 1.84 0.12 4.03 0.08 -1.26 -5.16 117.98 119.02 1wh7 s PHE 24 Ca 0.02 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 55.95 1wh7 s PHE 24 Cb -0.13 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1wh7 s PHE 24 CO -0.08 -0.16 0.25 -0.08 -0.10 0.00 0.00 175.22 175.04 1wh7 s THR 25 N -3.26 5.26 0.18 0.64 -1.32 -1.26 -4.95 115.64 110.93 1wh7 s THR 25 Ca 0.28 -0.64 -0.26 0.00 -1.21 0.00 0.00 61.69 59.86 1wh7 s THR 25 Cb 0.05 -3.67 0.02 0.00 -1.51 0.00 0.00 72.50 67.39 1wh7 s THR 25 CO 0.14 -0.02 1.50 0.00 -2.21 0.00 0.00 174.62 174.03 1wh7 n ALA 26 N -0.28 -0.48 -0.34 11.08 0.00 -1.26 -0.30 120.51 128.93 1wh7 n ALA 26 Ca -0.07 0.87 -0.09 0.00 0.00 0.00 0.00 53.44 54.15 1wh7 n ALA 26 Cb 0.53 -0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 1wh7 n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh7 n GLU 27 N -5.28 -0.36 -0.01 0.00 2.13 -1.26 0.13 120.64 116.00 1wh7 n GLU 27 Ca 0.04 1.29 -0.12 0.00 0.66 0.00 0.00 57.16 59.03 1wh7 n GLU 27 Cb 0.29 -1.90 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 1wh7 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wh7 h GLN 28 N 0.00 -0.46 -0.71 5.31 4.20 -1.05 1.56 115.11 123.96 1wh7 h GLN 28 Ca 0.13 0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.01 1wh7 h GLN 28 Cb 0.33 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 1wh7 h GLN 28 CO -0.76 -0.31 0.24 0.87 -0.67 0.00 0.00 178.83 178.20 1wh7 h LYS 29 N -0.48 0.36 0.21 1.46 6.56 0.53 0.74 116.57 125.95 1wh7 h LYS 29 Ca 0.08 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1wh7 h LYS 29 Cb 0.62 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1wh7 h LYS 29 CO -0.41 0.24 -0.10 0.93 -2.06 0.00 0.00 179.45 178.05 1wh7 h GLU 30 N 0.37 -0.27 -0.35 3.15 5.08 0.29 0.34 114.58 123.18 1wh7 h GLU 30 Ca 0.38 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.83 1wh7 h GLU 30 Cb 0.59 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1wh7 h GLU 30 CO -0.41 -0.02 -0.07 0.87 -1.00 0.00 0.00 179.01 178.37 1wh7 h LYS 31 N -0.51 0.02 0.12 2.33 6.56 0.32 -1.55 116.57 123.86 1wh7 h LYS 31 Ca -0.03 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1wh7 h LYS 31 Cb 0.38 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1wh7 h LYS 31 CO 0.05 0.01 -0.06 0.52 -2.06 0.00 0.00 179.45 177.91 1wh7 h MET 32 N 0.02 -0.15 -0.89 3.15 2.86 0.54 1.05 114.93 121.50 1wh7 h MET 32 Ca 0.17 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.05 1wh7 h MET 32 Cb 0.26 0.03 -0.16 0.00 0.06 0.00 0.00 31.60 31.79 1wh7 h MET 32 CO -0.35 -0.07 0.06 -0.07 1.06 0.00 0.00 176.91 177.54 1wh7 h LEU 33 N -0.19 -0.35 0.11 1.22 -0.00 0.34 0.72 115.31 117.16 1wh7 h LEU 33 Ca -0.02 0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 58.10 1wh7 h LEU 33 Cb 0.15 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1wh7 h LEU 33 CO 0.03 -0.26 -0.05 0.00 -0.00 0.00 0.00 178.44 178.16 1wh7 h ALA 34 N 1.86 -0.14 -0.89 1.53 0.00 -0.90 -2.62 119.26 118.09 1wh7 h ALA 34 Ca 0.53 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.52 1wh7 h ALA 34 Cb 1.05 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 1wh7 h ALA 34 CO -0.79 -0.14 -0.25 0.34 0.00 0.00 0.00 179.25 178.41 1wh7 n PHE 35 N -4.86 0.25 0.19 0.00 7.35 0.36 0.48 117.46 121.23 1wh7 n PHE 35 Ca -0.03 1.09 -0.14 0.00 -0.76 0.00 0.00 57.45 57.60 1wh7 n PHE 35 Cb 0.11 -0.97 -0.08 0.00 0.35 0.00 0.00 39.48 38.89 1wh7 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wh7 h ALA 36 N 1.65 -0.44 -1.07 3.13 0.00 0.29 0.60 119.26 123.42 1wh7 h ALA 36 Ca 0.40 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.46 1wh7 h ALA 36 Cb 0.62 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1wh7 h ALA 36 CO -0.91 -0.67 0.74 0.93 0.00 0.00 0.00 179.25 179.34 1wh7 h GLU 37 N -0.59 0.15 0.00 0.00 4.39 0.43 1.70 114.58 120.66 1wh7 h GLU 37 Ca -0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1wh7 h GLU 37 Cb 0.43 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1wh7 h GLU 37 CO 0.07 0.10 -0.04 0.00 -1.16 0.00 0.00 179.01 177.99 1wh7 h ARG 38 N 0.16 0.02 0.00 2.33 3.08 0.54 -3.14 114.38 117.38 1wh7 h ARG 38 Ca 0.55 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1wh7 h ARG 38 Cb 1.85 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.91 1wh7 h ARG 38 CO -0.12 0.82 0.00 1.28 -1.07 0.00 0.00 179.97 180.88 1wh7 n LEU 39 N -4.67 0.12 0.00 3.04 4.77 0.26 -4.84 117.00 115.67 1wh7 n LEU 39 Ca -0.09 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1wh7 n LEU 39 Cb 0.41 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1wh7 n LEU 39 CO 0.35 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1wh7 n GLY 40 N 0.16 0.45 2.35 -0.72 0.00 0.53 -3.09 105.19 104.87 1wh7 n GLY 40 Ca 0.04 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1wh7 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh7 n TRP 41 N -3.23 -0.31 -3.74 1.61 7.02 0.14 -4.95 117.44 113.97 1wh7 n TRP 41 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 1wh7 n TRP 41 Cb 0.17 -2.77 -0.13 0.00 -2.42 0.00 0.00 31.31 26.16 1wh7 n TRP 41 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1wh7 s ARG 42 N -3.90 0.19 -0.22 -0.99 1.70 -1.18 -4.73 118.95 109.82 1wh7 s ARG 42 Ca 0.00 0.45 -0.10 0.00 -0.47 0.00 0.00 55.73 55.61 1wh7 s ARG 42 Cb 0.00 -0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1wh7 s ARG 42 CO 0.00 -0.14 0.14 0.42 -1.08 0.00 0.00 175.30 174.64 1wh7 s ILE 43 N 1.04 5.31 0.29 4.99 1.01 -1.26 -4.73 121.20 127.85 1wh7 s ILE 43 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1wh7 s ILE 43 Cb -0.09 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.96 1wh7 s ILE 43 CO -0.06 0.39 0.26 0.00 0.00 0.00 0.00 174.94 175.52 1wh7 n GLN 44 N 3.96 1.01 0.20 2.79 6.02 -1.26 -4.96 117.38 125.14 1wh7 n GLN 44 Ca -0.16 -1.78 0.06 0.00 -0.01 0.00 0.00 57.00 55.11 1wh7 n GLN 44 Cb 0.52 0.13 0.44 0.00 1.02 0.00 0.00 30.24 32.35 1wh7 n GLN 44 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1wh7 h LYS 45 N 0.00 0.00 0.17 -1.09 3.64 -2.00 -0.87 116.57 116.42 1wh7 h LYS 45 Ca -0.18 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.90 1wh7 h LYS 45 Cb 0.67 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1wh7 h LYS 45 CO 0.27 0.32 -1.32 1.12 -2.27 0.00 0.00 179.45 177.57 1wh7 h HIS 46 N 0.00 0.91 0.00 1.91 2.07 -2.02 -3.15 115.15 114.88 1wh7 h HIS 46 Ca -0.00 -0.61 -0.02 0.00 -2.85 0.00 0.00 60.37 56.88 1wh7 h HIS 46 Cb 0.64 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.56 1wh7 h HIS 46 CO 0.00 1.46 -0.10 -0.44 -3.07 0.00 0.00 177.93 175.79 1wh7 h ASP 47 N 0.20 0.00 -1.66 3.10 5.19 -1.85 -2.95 116.42 118.45 1wh7 h ASP 47 Ca -0.20 0.00 0.51 0.00 -0.62 0.00 0.00 57.03 56.72 1wh7 h ASP 47 Cb 2.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.41 1wh7 h ASP 47 CO 0.24 0.10 1.14 -0.78 -3.12 0.00 0.00 179.24 176.83 1wh7 h ASP 48 N 0.00 0.10 0.00 6.45 1.82 -1.12 1.37 116.42 125.04 1wh7 h ASP 48 Ca -0.00 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.60 1wh7 h ASP 48 Cb 0.52 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1wh7 h ASP 48 CO 0.01 -0.11 -0.59 0.58 -1.61 0.00 0.00 179.24 177.52 1wh7 h VAL 49 N 0.02 1.36 -0.87 2.25 2.07 -1.73 -2.91 116.25 116.43 1wh7 h VAL 49 Ca 0.89 -2.25 0.19 0.00 0.82 0.00 0.00 66.70 66.36 1wh7 h VAL 49 Cb 3.24 2.79 -0.06 0.00 -1.52 0.00 0.00 31.29 35.74 1wh7 h VAL 49 CO -0.22 0.46 0.58 0.00 0.02 0.00 0.00 177.57 178.41 1wh7 h ALA 50 N -0.25 2.20 -0.10 1.67 0.00 0.56 1.20 119.26 124.54 1wh7 h ALA 50 Ca -0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1wh7 h ALA 50 Cb 1.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1wh7 h ALA 50 CO -0.10 -0.47 -0.13 0.28 0.00 0.00 0.00 179.25 178.83 1wh7 h VAL 51 N 0.40 1.37 -0.34 0.00 2.07 0.13 0.38 116.25 120.25 1wh7 h VAL 51 Ca 0.45 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 1wh7 h VAL 51 Cb 1.12 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1wh7 h VAL 51 CO -0.16 0.38 -0.10 1.05 0.02 0.00 0.00 177.57 178.76 1wh7 h GLU 52 N -0.14 0.58 -0.08 1.57 -0.00 -0.56 1.46 114.58 117.40 1wh7 h GLU 52 Ca 0.01 -0.17 -0.10 0.00 -0.00 0.00 0.00 59.36 59.10 1wh7 h GLU 52 Cb 0.67 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.37 1wh7 h GLU 52 CO 0.03 0.67 -0.36 1.96 -0.00 0.00 0.00 179.01 181.32 1wh7 h GLN 53 N 0.53 0.38 -0.15 1.06 1.08 0.14 -2.74 115.11 115.42 1wh7 h GLN 53 Ca 0.10 -0.30 -0.22 0.00 -1.45 0.00 0.00 58.65 56.78 1wh7 h GLN 53 Cb 0.49 0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1wh7 h GLN 53 CO 0.03 0.94 -0.77 0.35 -0.95 0.00 0.00 178.83 178.42 1wh7 h PHE 54 N -0.09 1.03 0.00 2.96 3.04 -0.07 -2.70 116.94 121.11 1wh7 h PHE 54 Ca -0.02 -0.46 0.00 0.00 3.98 0.00 0.00 57.97 61.47 1wh7 h PHE 54 Cb 1.00 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1wh7 h PHE 54 CO 0.12 1.28 0.00 0.00 -2.02 0.00 0.00 178.31 177.70 1wh7 h ALA 56 N 2.01 -0.00 0.55 0.00 0.00 -1.18 0.15 119.26 120.80 1wh7 h ALA 56 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1wh7 h ALA 56 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wh7 h ALA 56 CO 0.00 -0.00 -0.33 0.93 0.00 0.00 0.00 179.25 179.85 1wh7 h GLU 57 N -0.99 -0.79 -0.04 0.00 4.39 -1.05 -3.24 114.58 112.86 1wh7 h GLU 57 Ca -0.00 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1wh7 h GLU 57 Cb 0.91 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1wh7 h GLU 57 CO 0.00 -0.53 -0.00 1.79 -1.16 0.00 0.00 179.01 179.11 1wh7 h THR 58 N -0.82 1.26 0.00 1.13 1.35 -1.33 -3.47 112.91 111.03 1wh7 h THR 58 Ca -0.07 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1wh7 h THR 58 Cb 0.65 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1wh7 h THR 58 CO 0.08 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 1wh7 n GLY 59 N -0.24 0.80 3.75 5.82 0.00 0.52 -5.01 105.19 110.84 1wh7 n GLY 59 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1wh7 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh7 s VAL 60 N -2.00 3.30 0.07 1.61 1.01 -1.12 -4.92 120.40 118.34 1wh7 s VAL 60 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1wh7 s VAL 60 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1wh7 s VAL 60 CO 0.00 0.26 0.97 -0.13 0.00 0.00 0.00 175.10 176.20 1wh7 s ARG 61 N -1.12 4.64 0.24 2.72 0.52 -1.26 -4.41 118.95 120.28 1wh7 s ARG 61 Ca 0.49 1.44 -0.13 0.00 -0.52 0.00 0.00 55.73 57.00 1wh7 s ARG 61 Cb -0.34 -3.41 0.32 0.00 0.52 0.00 0.00 34.95 32.04 1wh7 s ARG 61 CO 0.43 0.11 1.48 -2.13 0.02 0.00 0.00 175.30 175.20 1wh7 n ARG 62 N 3.23 -0.16 -0.28 3.54 0.00 -1.26 0.20 116.66 121.93 1wh7 n ARG 62 Ca 0.04 1.47 0.02 0.00 -0.00 0.00 0.00 57.85 59.38 1wh7 n ARG 62 Cb 0.50 -2.19 0.16 0.00 0.00 0.00 0.00 32.46 30.93 1wh7 n ARG 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 1wh7 h GLN 63 N 0.00 0.75 -0.17 -0.14 3.07 -1.98 1.31 115.11 117.95 1wh7 h GLN 63 Ca 0.38 -0.05 -0.09 0.00 0.09 0.00 0.00 58.65 58.98 1wh7 h GLN 63 Cb 0.62 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 1wh7 h GLN 63 CO -0.96 0.50 -0.26 0.28 0.09 0.00 0.00 178.83 178.48 1wh7 h VAL 64 N 0.78 1.35 -0.41 1.86 2.07 0.18 0.22 116.25 122.29 1wh7 h VAL 64 Ca 0.38 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1wh7 h VAL 64 Cb 0.34 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1wh7 h VAL 64 CO -0.24 0.45 0.26 0.25 0.02 0.00 0.00 177.57 178.31 1wh7 h LEU 65 N 0.11 0.48 0.44 2.57 6.46 0.32 1.43 115.31 127.13 1wh7 h LEU 65 Ca 0.01 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1wh7 h LEU 65 Cb 0.84 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1wh7 h LEU 65 CO 0.06 0.37 -0.21 0.50 -0.62 0.00 0.00 178.44 178.54 1wh7 h LYS 66 N 0.55 -0.57 -0.03 1.25 3.64 0.17 0.55 116.57 122.12 1wh7 h LYS 66 Ca 0.15 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1wh7 h LYS 66 Cb -0.03 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1wh7 h LYS 66 CO -0.03 -0.29 0.03 0.82 -2.27 0.00 0.00 179.45 177.71 1wh7 h ILE 67 N -0.81 0.83 -0.03 2.00 2.04 -0.40 0.25 117.51 121.39 1wh7 h ILE 67 Ca -0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1wh7 h ILE 67 Cb 0.55 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1wh7 h ILE 67 CO 0.10 0.00 -0.09 -0.25 0.00 0.00 0.00 178.15 177.91 1wh7 h TRP 68 N 0.00 0.15 0.14 1.37 7.01 0.24 -0.51 115.95 124.35 1wh7 h TRP 68 Ca 0.02 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 1wh7 h TRP 68 Cb 0.07 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1wh7 h TRP 68 CO 0.00 0.71 -0.09 0.52 -2.79 0.00 0.00 178.44 176.80 1wh7 h MET 69 N -0.45 -0.21 -0.30 2.65 2.86 0.14 -0.61 114.93 118.99 1wh7 h MET 69 Ca -0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1wh7 h MET 69 Cb 0.72 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1wh7 h MET 69 CO 0.02 -0.14 0.13 1.25 1.06 0.00 0.00 176.91 179.23 1wh7 h HIS 70 N -0.22 0.25 -0.41 -0.22 -0.00 -0.64 0.88 115.15 114.79 1wh7 h HIS 70 Ca -0.01 0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 1wh7 h HIS 70 Cb 0.19 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1wh7 h HIS 70 CO -0.09 0.13 0.30 -0.91 -0.00 0.00 0.00 177.93 177.36 1wh7 h ASN 71 N 0.29 0.00 0.00 3.26 2.35 -0.81 -2.47 115.58 118.19 1wh7 h ASN 71 Ca 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1wh7 h ASN 71 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1wh7 h ASN 71 CO -0.11 0.00 -0.13 0.78 -1.65 0.00 0.00 177.43 176.32 1wh7 h ASN 72 N 0.00 0.00 -1.66 5.81 2.35 0.67 -3.46 115.58 119.29 1wh7 h ASN 72 Ca 0.19 -0.17 -0.70 0.00 -0.55 0.00 0.00 56.30 55.07 1wh7 h ASN 72 Cb 0.80 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.21 1wh7 h ASN 72 CO -0.00 0.66 0.62 1.17 -1.65 0.00 0.00 177.43 178.23 1wh7 n LYS 73 N -4.71 1.20 -1.38 0.81 4.81 0.28 -4.63 118.16 114.54 1wh7 n LYS 73 Ca -0.04 0.43 -0.50 0.00 -0.87 0.00 0.00 58.31 57.33 1wh7 n LYS 73 Cb 0.14 -2.10 -0.12 0.00 0.02 0.00 0.00 35.03 32.97 1wh7 n LYS 73 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wh7 n ASN 74 N 3.57 0.80 -1.57 3.14 3.02 -1.26 -4.71 115.26 118.25 1wh7 n ASN 74 Ca 0.21 0.39 0.01 0.00 -0.03 0.00 0.00 54.58 55.16 1wh7 n ASN 74 Cb 0.18 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1wh7 n ASN 74 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wh7 n SER 75 N 9.36 -0.23 0.00 6.41 7.64 -1.26 -5.13 113.62 130.41 1wh7 n SER 75 Ca 0.57 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1wh7 n SER 75 Cb 0.05 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 76 N -0.18 0.76 0.07 0.23 0.00 -1.26 -4.91 105.19 99.89 1wh7 n GLY 76 Ca 0.01 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 1wh7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 h PRO 77 N 8.08 0.03 -5.75 1.61 0.13 -2.03 -3.49 132.00 130.58 1wh7 h PRO 77 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1wh7 h PRO 77 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wh7 h PRO 77 CO 0.00 0.77 -0.99 0.43 -0.23 0.00 0.00 178.00 177.98 1wh7 n SER 78 N -4.70 -7.31 -4.73 1.44 7.64 -1.26 -4.91 113.62 99.79 1wh7 n SER 78 Ca -0.09 0.91 -0.32 0.00 1.01 0.00 0.00 58.87 60.37 1wh7 n SER 78 Cb 0.39 -3.52 0.10 0.00 -1.01 0.00 0.00 64.21 60.16 1wh7 n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh7 s SER 79 N -1.36 4.22 0.00 6.43 0.01 -1.26 -5.28 113.70 116.46 1wh7 s SER 79 Ca 0.01 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.38 1wh7 s SER 79 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1wh7 s SER 79 CO 0.42 -2.23 0.04 0.61 0.41 0.00 0.00 173.24 172.48