#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 -0.48 1.07 1.61 1.04 -1.26 -5.16 113.70 110.52 1wh7 s SER 2 Ca 0.00 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 1wh7 s SER 2 Cb 0.00 0.49 0.23 0.00 0.10 0.00 0.00 66.02 66.84 1wh7 s SER 2 CO 0.00 -0.67 1.08 -0.55 0.98 0.00 0.00 173.24 174.07 1wh7 s SER 3 N -1.73 1.71 -0.30 7.02 0.15 -1.26 -5.05 113.70 114.25 1wh7 s SER 3 Ca -0.07 1.82 -0.23 0.00 0.70 0.00 0.00 55.95 58.17 1wh7 s SER 3 Cb -0.01 -2.44 0.18 0.00 -1.71 0.00 0.00 66.02 62.05 1wh7 s SER 3 CO 0.02 -3.80 1.32 -0.83 1.20 0.00 0.00 173.24 171.15 1wh7 s GLY 4 N -2.54 0.31 0.39 9.45 0.00 -1.26 -5.18 107.32 108.49 1wh7 s GLY 4 Ca 0.68 3.44 0.07 0.00 0.00 0.00 0.00 44.72 48.91 1wh7 s GLY 4 CO 0.62 2.12 0.53 -0.45 0.00 0.00 0.00 173.10 175.92 1wh7 s SER 5 N 0.32 5.79 0.32 1.64 0.15 -1.26 -5.03 113.70 115.63 1wh7 s SER 5 Ca 0.03 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1wh7 s SER 5 Cb -0.04 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1wh7 s SER 5 CO -0.13 -0.63 0.00 -1.20 1.20 0.00 0.00 173.24 172.48 1wh7 n SER 6 N -1.77 -1.89 -4.71 5.45 7.64 -1.26 -5.10 113.62 111.99 1wh7 n SER 6 Ca 0.05 0.58 -0.42 0.00 1.01 0.00 0.00 58.87 60.09 1wh7 n SER 6 Cb 0.59 1.90 -0.03 0.00 -1.01 0.00 0.00 64.21 65.65 1wh7 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh7 s GLY 7 N -3.45 1.35 0.00 0.23 0.00 -1.26 -4.95 107.32 99.25 1wh7 s GLY 7 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1wh7 s GLY 7 CO 0.00 2.93 0.00 -1.26 0.00 0.00 0.00 173.10 174.77 1wh7 n SER 8 N 4.76 0.00 -4.35 1.64 2.88 -1.26 -5.15 113.62 112.13 1wh7 n SER 8 Ca 0.16 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.36 1wh7 n SER 8 Cb 0.37 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.69 1wh7 n SER 8 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wh7 s ASN 9 N 0.00 4.25 -0.03 -3.46 0.01 -1.26 -5.01 114.94 109.45 1wh7 s ASN 9 Ca 0.00 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 51.59 1wh7 s ASN 9 Cb 0.00 -1.70 -0.22 0.00 0.41 0.00 0.00 41.25 39.74 1wh7 s ASN 9 CO 0.00 0.07 1.09 1.55 -1.51 0.00 0.00 177.10 178.30 1wh7 h PRO 10 N 7.41 0.25 -3.74 -0.60 0.13 -2.02 -3.43 132.00 130.01 1wh7 h PRO 10 Ca -0.35 -0.25 -0.53 0.00 -0.87 0.00 0.00 66.00 64.01 1wh7 h PRO 10 Cb 1.18 0.06 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 1wh7 h PRO 10 CO 0.59 0.94 -0.77 -1.12 -0.23 0.00 0.00 178.00 177.41 1wh7 s SER 11 N -6.39 2.92 -0.36 1.44 0.01 -1.26 -5.06 113.70 104.99 1wh7 s SER 11 Ca -0.15 -0.79 0.06 0.00 1.31 0.00 0.00 55.95 56.38 1wh7 s SER 11 Cb 0.02 -0.70 0.19 0.00 0.21 0.00 0.00 66.02 65.74 1wh7 s SER 11 CO 0.76 -0.27 0.64 -0.55 0.41 0.00 0.00 173.24 174.23 1wh7 s SER 12 N 1.78 -1.50 0.00 2.44 0.15 -1.26 -5.14 113.70 110.18 1wh7 s SER 12 Ca -0.01 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1wh7 s SER 12 Cb -0.17 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1wh7 s SER 12 CO -0.07 -0.21 0.00 -1.54 1.20 0.00 0.00 173.24 172.62 1wh7 n SER 13 N 4.77 0.00 -3.53 5.45 3.41 -1.26 -5.14 113.62 117.32 1wh7 n SER 13 Ca 0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.50 1wh7 n SER 13 Cb 0.56 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1wh7 n SER 13 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wh7 s GLY 14 N 0.00 2.28 0.00 5.00 0.00 -1.26 -5.15 107.32 108.19 1wh7 s GLY 14 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1wh7 s GLY 14 CO 0.00 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1wh7 n GLY 15 N -0.62 1.58 3.48 0.20 0.00 -1.26 -5.16 105.19 103.41 1wh7 n GLY 15 Ca 0.05 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1wh7 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wh7 s THR 16 N 1.41 2.14 0.25 2.61 -4.23 -1.26 -4.98 115.64 111.58 1wh7 s THR 16 Ca 0.00 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1wh7 s THR 16 Cb 0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1wh7 s THR 16 CO 0.00 -0.32 0.00 0.41 -0.54 0.00 0.00 174.62 174.17 1wh7 n THR 17 N -0.65 0.00 0.00 3.99 -1.04 -1.26 -5.04 114.28 110.28 1wh7 n THR 17 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1wh7 n THR 17 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1wh7 n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1wh7 n LYS 18 N -3.11 0.00 -3.74 -2.82 2.85 -1.26 -5.08 118.16 104.99 1wh7 n LYS 18 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1wh7 n LYS 18 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1wh7 n LYS 18 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1wh7 s ARG 19 N -0.91 2.08 0.02 -1.58 0.52 -1.26 -5.08 118.95 112.74 1wh7 s ARG 19 Ca 0.00 -1.84 -0.23 0.00 -0.52 0.00 0.00 55.73 53.15 1wh7 s ARG 19 Cb 0.00 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1wh7 s ARG 19 CO 0.00 -1.09 0.67 -0.59 0.02 0.00 0.00 175.30 174.31 1wh7 s PHE 20 N 1.13 3.70 -0.30 -0.53 -0.12 -1.26 -5.02 117.98 115.58 1wh7 s PHE 20 Ca 0.08 1.32 -0.07 0.00 -0.05 0.00 0.00 56.93 58.21 1wh7 s PHE 20 Cb -0.23 -2.71 0.19 0.00 -0.63 0.00 0.00 43.02 39.64 1wh7 s PHE 20 CO -0.04 0.31 0.91 0.50 -0.05 0.00 0.00 175.22 176.85 1wh7 s ARG 21 N -0.10 0.28 0.40 1.99 3.52 -1.26 -5.16 118.95 118.63 1wh7 s ARG 21 Ca 0.34 0.38 -0.23 0.00 -0.13 0.00 0.00 55.73 56.09 1wh7 s ARG 21 Cb -0.19 0.19 -0.09 0.00 -1.56 0.00 0.00 34.95 33.30 1wh7 s ARG 21 CO 0.20 -0.43 1.03 0.95 -0.81 0.00 0.00 175.30 176.23 1wh7 s THR 22 N 2.92 3.85 -0.18 4.11 -4.23 -1.26 -5.05 115.64 115.80 1wh7 s THR 22 Ca 0.14 1.36 0.01 0.00 -1.18 0.00 0.00 61.69 62.02 1wh7 s THR 22 Cb -0.08 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.12 1wh7 s THR 22 CO -0.19 -0.04 -0.10 -0.75 -0.54 0.00 0.00 174.62 172.99 1wh7 s LYS 23 N -2.61 1.98 0.33 3.99 2.20 -1.26 -5.12 119.74 119.25 1wh7 s LYS 23 Ca 0.59 -0.74 0.09 0.00 -0.36 0.00 0.00 55.97 55.54 1wh7 s LYS 23 Cb -0.20 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 1wh7 s LYS 23 CO 0.25 -0.39 0.05 -0.06 -0.36 0.00 0.00 175.35 174.83 1wh7 s PHE 24 N 1.45 2.61 0.27 4.03 0.08 -1.26 -5.13 117.98 120.03 1wh7 s PHE 24 Ca 0.00 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.57 1wh7 s PHE 24 Cb -0.15 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.74 1wh7 s PHE 24 CO -0.09 0.45 0.59 -0.08 -0.10 0.00 0.00 175.22 176.00 1wh7 s THR 25 N -2.46 4.92 0.16 0.64 -1.32 -1.26 -4.89 115.64 111.43 1wh7 s THR 25 Ca 0.35 0.42 -0.29 0.00 -1.21 0.00 0.00 61.69 60.96 1wh7 s THR 25 Cb -0.02 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.27 1wh7 s THR 25 CO 0.20 -0.19 1.49 0.00 -2.21 0.00 0.00 174.62 173.91 1wh7 n ALA 26 N -0.48 -0.57 -0.37 11.08 0.00 -1.26 0.18 120.51 129.08 1wh7 n ALA 26 Ca 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 53.44 54.23 1wh7 n ALA 26 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -5.22 -0.30 0.14 0.00 2.13 -1.26 0.10 120.64 116.24 1wh7 n GLU 27 Ca 0.03 1.43 -0.15 0.00 0.66 0.00 0.00 57.16 59.13 1wh7 n GLU 27 Cb 0.26 -2.12 -0.08 0.00 0.27 0.00 0.00 31.44 29.78 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 -0.67 -0.59 5.31 4.20 -0.65 0.97 115.11 123.67 1wh7 h GLN 28 Ca 0.26 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.13 1wh7 h GLN 28 Cb 0.49 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 1wh7 h GLN 28 CO -0.91 -0.45 0.02 0.87 -0.67 0.00 0.00 178.83 177.69 1wh7 h LYS 29 N -0.70 0.13 0.18 1.46 6.56 0.81 0.58 116.57 125.61 1wh7 h LYS 29 Ca 0.01 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1wh7 h LYS 29 Cb 0.70 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1wh7 h LYS 29 CO -0.21 0.09 -0.09 0.93 -2.06 0.00 0.00 179.45 178.11 1wh7 h GLU 30 N 0.14 -0.24 -0.28 3.15 5.08 0.15 0.47 114.58 123.06 1wh7 h GLU 30 Ca 0.31 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1wh7 h GLU 30 Cb 0.49 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1wh7 h GLU 30 CO -0.49 -0.14 -0.12 0.87 -1.00 0.00 0.00 179.01 178.13 1wh7 h LYS 31 N -0.27 -0.07 0.09 2.33 6.56 0.23 -1.66 116.57 123.78 1wh7 h LYS 31 Ca -0.03 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1wh7 h LYS 31 Cb 0.21 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1wh7 h LYS 31 CO 0.04 -0.05 -0.05 0.52 -2.06 0.00 0.00 179.45 177.85 1wh7 h MET 32 N -0.07 -0.14 -0.91 3.15 2.86 0.36 1.20 114.93 121.38 1wh7 h MET 32 Ca 0.15 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 58.04 1wh7 h MET 32 Cb 0.29 0.03 -0.16 0.00 0.06 0.00 0.00 31.60 31.82 1wh7 h MET 32 CO -0.33 -0.09 0.12 -0.07 1.06 0.00 0.00 176.91 177.60 1wh7 h LEU 33 N -0.14 -0.25 0.03 1.22 -0.00 0.57 0.80 115.31 117.55 1wh7 h LEU 33 Ca -0.01 0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 58.10 1wh7 h LEU 33 Cb 0.12 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1wh7 h LEU 33 CO 0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 178.44 178.18 1wh7 h ALA 34 N 1.87 -0.04 -0.92 1.53 0.00 -0.82 -2.78 119.26 118.09 1wh7 h ALA 34 Ca 0.56 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.55 1wh7 h ALA 34 Cb 1.15 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1wh7 h ALA 34 CO -0.78 -0.04 -0.29 0.34 0.00 0.00 0.00 179.25 178.48 1wh7 n PHE 35 N -4.78 0.19 -0.14 0.00 7.35 0.41 0.15 117.46 120.64 1wh7 n PHE 35 Ca -0.02 1.13 -0.09 0.00 -0.76 0.00 0.00 57.45 57.71 1wh7 n PHE 35 Cb 0.09 -0.95 -0.00 0.00 0.35 0.00 0.00 39.48 38.97 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 1.59 0.54 -0.63 3.13 0.00 0.46 -1.36 119.26 122.98 1wh7 h ALA 36 Ca 0.39 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.32 1wh7 h ALA 36 Cb 0.62 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1wh7 h ALA 36 CO -0.94 0.12 0.43 0.93 0.00 0.00 0.00 179.25 179.80 1wh7 h GLU 37 N 0.54 0.23 0.01 0.00 4.39 0.17 1.89 114.58 121.80 1wh7 h GLU 37 Ca 0.14 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1wh7 h GLU 37 Cb 0.15 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1wh7 h GLU 37 CO -0.02 0.15 -0.00 0.00 -1.16 0.00 0.00 179.01 177.98 1wh7 h ARG 38 N 0.23 -0.01 0.00 2.33 3.08 0.50 -3.07 114.38 117.44 1wh7 h ARG 38 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1wh7 h ARG 38 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1wh7 h ARG 38 CO -0.06 0.64 0.00 1.28 -1.07 0.00 0.00 179.97 180.76 1wh7 n LEU 39 N -4.78 0.30 0.00 3.04 4.77 -0.58 -4.86 117.00 114.89 1wh7 n LEU 39 Ca -0.09 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1wh7 n LEU 39 Cb 0.32 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1wh7 n LEU 39 CO 0.33 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1wh7 n GLY 40 N 0.53 0.60 2.29 -0.72 0.00 0.53 -3.38 105.19 105.03 1wh7 n GLY 40 Ca 0.04 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.33 -0.70 -3.83 1.61 7.02 0.45 -4.94 117.44 113.72 1wh7 n TRP 41 Ca 0.00 0.02 -0.12 0.00 -1.02 0.00 0.00 57.50 56.38 1wh7 n TRP 41 Cb 0.30 -3.02 -0.10 0.00 -2.42 0.00 0.00 31.31 26.07 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 -4.73 0.45 -0.16 -0.99 1.70 -1.22 -4.90 118.95 109.11 1wh7 s ARG 42 Ca 0.01 -0.18 0.01 0.00 -0.47 0.00 0.00 55.73 55.10 1wh7 s ARG 42 Cb -0.01 0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.59 1wh7 s ARG 42 CO 0.01 -0.10 -0.17 0.42 -1.08 0.00 0.00 175.30 174.38 1wh7 s ILE 43 N -0.97 1.76 0.00 4.99 1.01 -1.26 -4.66 121.20 122.07 1wh7 s ILE 43 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1wh7 s ILE 43 Cb -0.06 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1wh7 s ILE 43 CO 0.02 0.49 0.00 0.00 0.00 0.00 0.00 174.94 175.45 1wh7 n GLN 44 N 4.63 3.93 -0.02 2.79 6.02 -1.26 -4.98 117.38 128.49 1wh7 n GLN 44 Ca -0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.73 1wh7 n GLN 44 Cb 0.50 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.63 1wh7 n GLN 44 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1wh7 n LYS 45 N 0.00 0.64 0.11 -1.09 4.81 -1.26 -3.48 118.16 117.89 1wh7 n LYS 45 Ca 0.00 0.25 -0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1wh7 n LYS 45 Cb 0.00 -1.77 -0.02 0.00 0.02 0.00 0.00 35.03 33.26 1wh7 n LYS 45 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1wh7 h HIS 46 N 0.00 0.00 0.00 5.64 2.07 -2.03 -3.04 115.15 117.79 1wh7 h HIS 46 Ca -0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1wh7 h HIS 46 Cb 1.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.96 1wh7 h HIS 46 CO 0.00 0.66 0.00 -0.44 -3.07 0.00 0.00 177.93 175.08 1wh7 h ASP 47 N 0.00 0.00 -0.92 3.10 5.19 -1.94 -3.23 116.42 118.62 1wh7 h ASP 47 Ca -0.01 0.00 0.24 0.00 -0.62 0.00 0.00 57.03 56.64 1wh7 h ASP 47 Cb 1.51 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.89 1wh7 h ASP 47 CO 0.08 0.00 0.42 -0.78 -3.12 0.00 0.00 179.24 175.85 1wh7 h ASP 48 N 0.00 0.36 0.19 6.45 1.82 -1.56 0.93 116.42 124.61 1wh7 h ASP 48 Ca 0.00 0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1wh7 h ASP 48 Cb 0.75 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.90 1wh7 h ASP 48 CO 0.00 -0.02 -0.09 0.58 -1.61 0.00 0.00 179.24 178.09 1wh7 h VAL 49 N 0.39 0.00 -1.57 2.25 2.07 -1.77 -2.50 116.25 115.12 1wh7 h VAL 49 Ca 0.59 -0.22 0.48 0.00 0.82 0.00 0.00 66.70 68.37 1wh7 h VAL 49 Cb 1.17 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.84 1wh7 h VAL 49 CO -0.55 0.00 1.08 0.00 0.02 0.00 0.00 177.57 178.13 1wh7 h ALA 50 N -1.66 3.24 0.05 1.67 0.00 -1.54 1.56 119.26 122.59 1wh7 h ALA 50 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wh7 h ALA 50 Cb 0.20 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wh7 h ALA 50 CO 0.04 -1.82 -0.02 0.28 0.00 0.00 0.00 179.25 177.73 1wh7 h VAL 51 N 0.04 1.12 -0.52 0.00 2.07 0.94 -0.59 116.25 119.31 1wh7 h VAL 51 Ca 0.84 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.79 1wh7 h VAL 51 Cb 3.03 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 34.26 1wh7 h VAL 51 CO -0.21 0.14 0.25 1.05 0.02 0.00 0.00 177.57 178.83 1wh7 h GLU 52 N -0.31 0.74 -0.29 1.57 4.11 0.25 -0.93 114.58 119.72 1wh7 h GLU 52 Ca -0.01 -0.11 0.03 0.00 0.07 0.00 0.00 59.36 59.34 1wh7 h GLU 52 Cb 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1wh7 h GLU 52 CO 0.01 0.61 0.20 1.96 0.07 0.00 0.00 179.01 181.86 1wh7 h GLN 53 N 0.69 0.28 -0.11 1.06 4.20 -0.60 0.50 115.11 121.12 1wh7 h GLN 53 Ca 0.18 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.67 1wh7 h GLN 53 Cb 0.11 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.84 1wh7 h GLN 53 CO -0.02 0.19 -0.73 0.35 -0.67 0.00 0.00 178.83 177.94 1wh7 h PHE 54 N 0.29 0.95 -0.25 2.96 3.57 -0.29 -3.20 116.94 120.97 1wh7 h PHE 54 Ca 0.12 -0.44 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 1wh7 h PHE 54 Cb 0.13 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1wh7 h PHE 54 CO -0.00 1.26 0.11 0.00 -2.23 0.00 0.00 178.31 177.44 1wh7 h ALA 56 N 0.96 2.33 -1.17 0.00 0.00 -0.96 1.45 119.26 121.86 1wh7 h ALA 56 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wh7 h ALA 56 Cb 0.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wh7 h ALA 56 CO -0.01 -0.99 0.00 -1.91 0.00 0.00 0.00 179.25 176.34 1wh7 n GLU 57 N -3.47 0.00 0.18 0.00 2.13 -0.38 -4.73 120.64 114.36 1wh7 n GLU 57 Ca 0.12 0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.86 1wh7 n GLU 57 Cb 0.90 -0.41 -0.08 0.00 0.27 0.00 0.00 31.44 32.12 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1wh7 h THR 58 N 0.00 0.72 0.00 6.31 1.35 -0.20 -3.47 112.91 117.62 1wh7 h THR 58 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1wh7 h THR 58 Cb 0.00 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1wh7 h THR 58 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1wh7 n GLY 59 N -0.88 0.82 3.74 5.82 0.00 0.49 -5.01 105.19 110.18 1wh7 n GLY 59 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.43 0.60 1.61 1.01 -1.26 -4.95 120.40 118.84 1wh7 s VAL 60 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 1wh7 s VAL 60 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1wh7 s VAL 60 CO 0.00 0.21 1.03 -0.13 0.00 0.00 0.00 175.10 176.21 1wh7 s ARG 61 N -0.46 3.51 0.29 2.72 3.00 -1.26 -4.27 118.95 122.49 1wh7 s ARG 61 Ca 0.52 0.92 -0.02 0.00 0.00 0.00 0.00 55.73 57.15 1wh7 s ARG 61 Cb -0.34 -2.07 0.43 0.00 0.00 0.00 0.00 34.95 32.97 1wh7 s ARG 61 CO 0.39 -0.64 1.96 -0.09 0.00 0.00 0.00 175.30 176.92 1wh7 h ARG 62 N 0.06 1.08 -0.15 3.54 2.43 -1.95 1.33 114.38 120.72 1wh7 h ARG 62 Ca -0.45 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.54 1wh7 h ARG 62 Cb 1.20 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1wh7 h ARG 62 CO 0.60 0.73 -0.32 -0.56 -1.51 0.00 0.00 179.97 178.92 1wh7 h GLN 63 N 1.11 0.48 -0.35 0.20 3.07 -1.97 0.37 115.11 118.02 1wh7 h GLN 63 Ca 0.29 -0.32 -0.08 0.00 0.09 0.00 0.00 58.65 58.64 1wh7 h GLN 63 Cb -0.10 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 1wh7 h GLN 63 CO -0.06 0.92 -0.10 0.28 0.09 0.00 0.00 178.83 179.96 1wh7 h VAL 64 N 0.10 1.28 0.03 1.86 2.07 -1.82 0.50 116.25 120.27 1wh7 h VAL 64 Ca 0.00 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1wh7 h VAL 64 Cb 0.91 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1wh7 h VAL 64 CO 0.07 0.38 -0.01 0.25 0.02 0.00 0.00 177.57 178.28 1wh7 h LEU 65 N 0.46 -0.03 0.23 2.57 5.85 0.17 0.68 115.31 125.25 1wh7 h LEU 65 Ca 0.09 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1wh7 h LEU 65 Cb 0.61 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1wh7 h LEU 65 CO 0.04 0.24 -0.14 0.50 -0.34 0.00 0.00 178.44 178.74 1wh7 h LYS 66 N -0.30 -0.34 -0.30 1.25 3.11 -0.21 0.38 116.57 120.15 1wh7 h LYS 66 Ca -0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1wh7 h LYS 66 Cb 0.29 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 1wh7 h LYS 66 CO 0.01 -0.23 0.19 0.82 -2.81 0.00 0.00 179.45 177.43 1wh7 h ILE 67 N -0.35 1.08 -0.57 2.00 2.04 0.05 -0.47 117.51 121.29 1wh7 h ILE 67 Ca -0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1wh7 h ILE 67 Cb 0.29 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1wh7 h ILE 67 CO 0.03 0.08 0.27 -0.25 0.00 0.00 0.00 178.15 178.28 1wh7 h TRP 68 N 0.41 0.82 -0.60 1.37 7.01 0.13 0.13 115.95 125.22 1wh7 h TRP 68 Ca 0.11 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1wh7 h TRP 68 Cb -0.04 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.74 1wh7 h TRP 68 CO 0.00 0.63 0.38 0.52 -2.79 0.00 0.00 178.44 177.19 1wh7 h MET 69 N 0.77 0.74 0.00 2.65 2.86 0.68 0.12 114.93 122.75 1wh7 h MET 69 Ca 0.19 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1wh7 h MET 69 Cb 0.12 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1wh7 h MET 69 CO -0.02 0.49 0.00 1.58 1.06 0.00 0.00 176.91 180.02 1wh7 n HIS 70 N -4.71 0.00 0.63 -0.22 -0.00 -0.82 0.79 115.22 110.89 1wh7 n HIS 70 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.88 1wh7 n HIS 70 Cb 0.06 -0.36 -0.00 0.00 -0.00 0.00 0.00 29.99 29.68 1wh7 n HIS 70 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1wh7 n ASN 71 N -1.36 0.62 -0.00 0.26 5.03 0.42 -4.56 115.26 115.66 1wh7 n ASN 71 Ca 0.10 -0.33 -0.04 0.00 0.87 0.00 0.00 54.58 55.17 1wh7 n ASN 71 Cb 0.23 0.89 -0.01 0.00 -1.02 0.00 0.00 39.78 39.87 1wh7 n ASN 71 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wh7 n ASN 72 N -1.87 1.18 -4.34 6.41 3.02 -0.19 -5.03 115.26 114.44 1wh7 n ASN 72 Ca 0.02 0.17 -0.51 0.00 -0.03 0.00 0.00 54.58 54.24 1wh7 n ASN 72 Cb 0.42 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1wh7 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wh7 n LYS 73 N -3.69 0.00 -0.59 3.52 2.85 0.24 -4.47 118.16 116.02 1wh7 n LYS 73 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1wh7 n LYS 73 Cb 0.26 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 1wh7 n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1wh7 n ASN 74 N 1.78 -3.48 0.00 -5.58 2.85 -1.26 -4.85 115.26 104.72 1wh7 n ASN 74 Ca 0.18 0.58 0.00 0.00 -0.11 0.00 0.00 54.58 55.23 1wh7 n ASN 74 Cb 0.19 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 40.00 1wh7 n ASN 74 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wh7 n SER 75 N -1.43 0.00 0.00 1.20 2.88 -1.26 -5.04 113.62 109.96 1wh7 n SER 75 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1wh7 n SER 75 Cb 0.09 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 76 N 1.67 5.76 2.41 0.46 0.00 -1.26 -4.99 105.19 109.24 1wh7 n GLY 76 Ca 0.00 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 1wh7 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh7 n PRO 77 N 0.00 2.52 -3.33 1.61 -0.04 -1.26 -4.66 135.00 129.84 1wh7 n PRO 77 Ca 0.00 -1.57 -0.23 0.00 -0.04 0.00 0.00 63.50 61.66 1wh7 n PRO 77 Cb 0.00 -2.45 0.02 0.00 -0.04 0.00 0.00 33.50 31.03 1wh7 n PRO 77 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wh7 n SER 78 N 3.67 -6.11 -2.56 3.54 3.41 -1.26 -4.31 113.62 110.01 1wh7 n SER 78 Ca 0.54 0.13 -0.04 0.00 -0.26 0.00 0.00 58.87 59.24 1wh7 n SER 78 Cb 0.28 -2.03 -0.03 0.00 -0.26 0.00 0.00 64.21 62.17 1wh7 n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wh7 n SER 79 N 0.32 -2.60 0.00 4.04 2.88 -1.26 -5.20 113.62 111.79 1wh7 n SER 79 Ca -0.04 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1wh7 n SER 79 Cb 0.58 -5.03 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42