#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 n SER 2 N 0.00 -8.68 -3.59 1.61 7.64 -1.26 -5.02 113.62 104.33 1wh7 n SER 2 Ca 0.00 1.42 -0.29 0.00 1.01 0.00 0.00 58.87 61.01 1wh7 n SER 2 Cb 0.00 -4.85 -0.15 0.00 -1.01 0.00 0.00 64.21 58.20 1wh7 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh7 s SER 3 N -0.50 3.42 0.19 6.43 1.04 -1.26 -5.09 113.70 117.93 1wh7 s SER 3 Ca 0.00 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1wh7 s SER 3 Cb 0.00 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1wh7 s SER 3 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1wh7 n GLY 4 N 5.19 0.25 2.06 7.32 0.00 -1.26 -4.85 105.19 113.89 1wh7 n GLY 4 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1wh7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh7 n SER 5 N 1.52 -1.23 -0.97 1.61 7.64 -1.26 -5.17 113.62 115.76 1wh7 n SER 5 Ca 0.00 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.56 1wh7 n SER 5 Cb 0.00 1.31 -0.05 0.00 -1.01 0.00 0.00 64.21 64.46 1wh7 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh7 n SER 6 N -3.38 -5.83 0.00 6.43 7.64 -1.26 -5.08 113.62 112.14 1wh7 n SER 6 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1wh7 n SER 6 Cb 0.00 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1wh7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 7 N -3.72 0.30 3.15 0.23 0.00 -1.26 -4.97 105.19 98.93 1wh7 n GLY 7 Ca -0.03 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1wh7 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh7 n SER 8 N 0.00 4.75 -4.04 1.61 2.88 -1.26 -4.98 113.62 112.58 1wh7 n SER 8 Ca 0.00 -3.13 -0.32 0.00 -1.33 0.00 0.00 58.87 54.09 1wh7 n SER 8 Cb 0.00 -1.16 -0.14 0.00 -0.75 0.00 0.00 64.21 62.16 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 0.12 4.83 0.41 -3.46 -0.87 -1.26 -5.10 114.94 109.61 1wh7 s ASN 9 Ca 0.29 -2.07 -0.24 0.00 -1.57 0.00 0.00 52.86 49.28 1wh7 s ASN 9 Cb -0.06 -1.66 -0.09 0.00 -0.02 0.00 0.00 41.25 39.42 1wh7 s ASN 9 CO -0.09 -0.39 1.05 -2.16 -2.57 0.00 0.00 177.10 172.94 1wh7 s PRO 10 N 0.96 4.12 -0.28 -0.60 0.04 -1.26 -5.04 135.00 132.93 1wh7 s PRO 10 Ca 0.09 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 1wh7 s PRO 10 Cb -0.20 -2.50 0.12 0.00 0.04 0.00 0.00 34.50 31.97 1wh7 s PRO 10 CO -0.07 -0.18 0.25 0.45 0.04 0.00 0.00 177.00 177.48 1wh7 s SER 11 N -1.58 2.17 -0.30 6.66 0.15 -1.26 -5.10 113.70 114.43 1wh7 s SER 11 Ca 0.59 -0.87 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 1wh7 s SER 11 Cb -0.22 0.27 0.15 0.00 -1.71 0.00 0.00 66.02 64.51 1wh7 s SER 11 CO 0.27 -0.40 0.92 -0.94 1.20 0.00 0.00 173.24 174.29 1wh7 s SER 12 N 2.29 -0.68 -0.05 5.45 1.04 -1.26 -5.17 113.70 115.31 1wh7 s SER 12 Ca 0.09 0.96 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 1wh7 s SER 12 Cb -0.15 1.69 0.11 0.00 0.10 0.00 0.00 66.02 67.78 1wh7 s SER 12 CO -0.33 -0.14 1.11 -0.44 0.98 0.00 0.00 173.24 174.42 1wh7 s SER 13 N 2.33 -0.18 0.00 7.02 0.01 -1.26 -5.18 113.70 116.43 1wh7 s SER 13 Ca -0.04 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wh7 s SER 13 Cb -0.07 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1wh7 s SER 13 CO -0.17 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1wh7 n GLY 14 N -0.27 5.62 0.00 3.44 0.00 -1.26 -5.18 105.19 107.54 1wh7 n GLY 14 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 2.93 3.89 -0.02 0.00 -1.26 -5.11 105.19 105.61 1wh7 n GLY 15 Ca 0.00 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.97 3.93 0.01 2.61 -4.23 -1.26 -4.94 115.64 109.79 1wh7 s THR 16 Ca 0.00 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1wh7 s THR 16 Cb 0.00 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1wh7 s THR 16 CO 0.00 -0.77 0.00 0.41 -0.54 0.00 0.00 174.62 173.72 1wh7 n THR 17 N -2.83 0.00 -2.90 3.99 -1.04 -1.26 -5.17 114.28 105.06 1wh7 n THR 17 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1wh7 n THR 17 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -2.07 0.00 -2.33 -2.82 2.85 -1.26 -5.04 118.16 107.48 1wh7 n LYS 18 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1wh7 n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1wh7 n LYS 18 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1wh7 n ARG 19 N 0.00 4.50 -4.00 -1.58 1.85 -1.26 -4.88 116.66 111.29 1wh7 n ARG 19 Ca 0.00 -3.85 -0.31 0.00 -1.00 0.00 0.00 57.85 52.69 1wh7 n ARG 19 Cb 0.00 -2.66 -0.15 0.00 -1.05 0.00 0.00 32.46 28.60 1wh7 n ARG 19 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1wh7 s PHE 20 N -1.58 3.34 -0.12 2.89 5.36 -1.26 -5.08 117.98 121.53 1wh7 s PHE 20 Ca 0.45 -2.62 -0.20 0.00 -0.96 0.00 0.00 56.93 53.59 1wh7 s PHE 20 Cb 0.15 -2.47 0.05 0.00 -0.34 0.00 0.00 43.02 40.41 1wh7 s PHE 20 CO -0.05 -0.91 0.50 0.50 -1.46 0.00 0.00 175.22 173.80 1wh7 s ARG 21 N 1.06 0.72 0.03 10.12 6.06 -1.26 -5.13 118.95 130.55 1wh7 s ARG 21 Ca 0.05 0.39 0.02 0.00 -2.50 0.00 0.00 55.73 53.68 1wh7 s ARG 21 Cb -0.19 0.34 -0.02 0.00 0.06 0.00 0.00 34.95 35.14 1wh7 s ARG 21 CO -0.09 -0.16 -0.06 0.95 -2.50 0.00 0.00 175.30 173.44 1wh7 s THR 22 N -0.46 0.41 -0.13 4.11 -4.23 -1.26 -5.14 115.64 108.94 1wh7 s THR 22 Ca -0.06 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1wh7 s THR 22 Cb -0.03 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.34 1wh7 s THR 22 CO 0.04 -0.39 -0.14 -0.75 -0.54 0.00 0.00 174.62 172.83 1wh7 s LYS 23 N -1.48 2.21 0.39 3.99 2.36 -1.26 -5.13 119.74 120.83 1wh7 s LYS 23 Ca -0.11 -0.54 0.03 0.00 -2.55 0.00 0.00 55.97 52.81 1wh7 s LYS 23 Cb -0.10 -1.98 -0.04 0.00 -1.05 0.00 0.00 37.83 34.66 1wh7 s LYS 23 CO -0.00 -0.17 0.09 -0.06 1.55 0.00 0.00 175.35 176.76 1wh7 s PHE 24 N 1.31 1.87 0.15 4.03 0.08 -1.26 -5.16 117.98 119.00 1wh7 s PHE 24 Ca 0.00 -1.12 0.06 0.00 0.12 0.00 0.00 56.93 55.99 1wh7 s PHE 24 Cb -0.14 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1wh7 s PHE 24 CO -0.07 -0.12 0.05 -0.08 -0.10 0.00 0.00 175.22 174.90 1wh7 s THR 25 N -3.20 4.08 0.22 0.64 -1.32 -1.26 -4.97 115.64 109.83 1wh7 s THR 25 Ca 0.26 -1.18 -0.19 0.00 -1.21 0.00 0.00 61.69 59.37 1wh7 s THR 25 Cb 0.05 -3.03 0.20 0.00 -1.51 0.00 0.00 72.50 68.20 1wh7 s THR 25 CO 0.14 -0.05 1.55 0.00 -2.21 0.00 0.00 174.62 174.05 1wh7 h ALA 26 N 2.79 0.07 -0.71 11.08 0.00 -2.02 0.21 119.26 130.69 1wh7 h ALA 26 Ca -0.47 0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1wh7 h ALA 26 Cb 1.19 1.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.93 1wh7 h ALA 26 CO 0.60 -0.66 -0.51 1.49 0.00 0.00 0.00 179.25 180.17 1wh7 h GLU 27 N -0.01 -0.12 -0.40 0.00 4.57 -1.97 1.53 114.58 118.19 1wh7 h GLU 27 Ca 0.32 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.59 1wh7 h GLU 27 Cb 0.58 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.11 1wh7 h GLU 27 CO -0.97 -0.08 -0.13 1.96 -1.18 0.00 0.00 179.01 178.61 1wh7 h GLN 28 N -0.12 -0.04 0.70 1.92 4.20 -1.05 1.25 115.11 121.98 1wh7 h GLN 28 Ca 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1wh7 h GLN 28 Cb 0.42 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1wh7 h GLN 28 CO -0.73 -0.02 -0.50 0.87 -0.67 0.00 0.00 178.83 177.77 1wh7 h LYS 29 N -0.04 -1.11 -0.03 1.46 6.56 0.11 0.73 116.57 124.25 1wh7 h LYS 29 Ca 0.19 0.08 0.04 0.00 -1.06 0.00 0.00 60.65 59.90 1wh7 h LYS 29 Cb 0.33 0.25 -0.05 0.00 -0.57 0.00 0.00 32.23 32.19 1wh7 h LYS 29 CO -0.43 -0.74 -0.34 0.93 -2.06 0.00 0.00 179.45 176.81 1wh7 h GLU 30 N -1.15 -0.46 -0.33 3.15 5.08 0.26 1.58 114.58 122.71 1wh7 h GLU 30 Ca -0.09 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1wh7 h GLU 30 Cb 0.95 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1wh7 h GLU 30 CO 0.05 -0.31 -0.19 0.87 -1.00 0.00 0.00 179.01 178.43 1wh7 h LYS 31 N -0.48 -0.14 0.03 2.33 1.57 0.17 -1.24 116.57 118.82 1wh7 h LYS 31 Ca 0.07 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wh7 h LYS 31 Cb 0.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1wh7 h LYS 31 CO -0.30 -0.09 -0.02 0.52 -0.57 0.00 0.00 179.45 179.00 1wh7 h MET 32 N -0.14 -0.04 -0.91 3.15 2.86 0.13 1.06 114.93 121.04 1wh7 h MET 32 Ca 0.17 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 58.05 1wh7 h MET 32 Cb 0.40 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.91 1wh7 h MET 32 CO -0.41 0.01 0.07 -0.07 1.06 0.00 0.00 176.91 177.57 1wh7 h LEU 33 N -0.08 -0.34 0.04 1.22 -0.00 0.31 0.73 115.31 117.17 1wh7 h LEU 33 Ca -0.00 0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1wh7 h LEU 33 Cb 0.07 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1wh7 h LEU 33 CO 0.01 -0.27 -0.02 0.00 -0.00 0.00 0.00 178.44 178.16 1wh7 h ALA 34 N 1.87 -0.05 -0.88 1.53 0.00 -0.84 -2.79 119.26 118.10 1wh7 h ALA 34 Ca 0.54 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.61 1wh7 h ALA 34 Cb 1.09 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 1wh7 h ALA 34 CO -0.80 -0.05 0.05 0.34 0.00 0.00 0.00 179.25 178.79 1wh7 n PHE 35 N -4.79 0.59 0.32 0.00 7.35 0.36 -0.10 117.46 121.20 1wh7 n PHE 35 Ca -0.02 1.06 -0.13 0.00 -0.76 0.00 0.00 57.45 57.59 1wh7 n PHE 35 Cb 0.10 -1.18 -0.06 0.00 0.35 0.00 0.00 39.48 38.69 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 1.76 -0.91 -1.72 3.13 0.00 0.31 -1.85 119.26 119.98 1wh7 h ALA 36 Ca 0.55 -0.19 0.50 0.00 0.00 0.00 0.00 54.91 55.77 1wh7 h ALA 36 Cb 1.15 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 1wh7 h ALA 36 CO -0.82 -0.85 1.32 0.93 0.00 0.00 0.00 179.25 179.83 1wh7 h GLU 37 N -1.16 0.00 0.00 0.00 4.39 -0.22 1.86 114.58 119.46 1wh7 h GLU 37 Ca -0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1wh7 h GLU 37 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1wh7 h GLU 37 CO 0.14 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 177.93 1wh7 h ARG 38 N 0.00 0.04 0.00 2.33 3.08 -0.49 -3.18 114.38 116.16 1wh7 h ARG 38 Ca 0.82 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.82 1wh7 h ARG 38 Cb 3.44 0.01 0.00 0.00 0.08 0.00 0.00 29.97 33.50 1wh7 h ARG 38 CO -0.01 0.88 0.00 1.28 -1.07 0.00 0.00 179.97 181.05 1wh7 n LEU 39 N -4.63 0.00 -0.12 3.04 4.77 0.40 -4.86 117.00 115.60 1wh7 n LEU 39 Ca -0.10 0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1wh7 n LEU 39 Cb 0.44 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1wh7 n LEU 39 CO 0.35 -0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 176.94 1wh7 n GLY 40 N 0.85 0.38 2.30 -0.72 0.00 0.54 -2.96 105.19 105.58 1wh7 n GLY 40 Ca 0.09 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.60 -0.58 -3.81 1.61 7.02 -0.41 -4.94 117.44 112.74 1wh7 n TRP 41 Ca -0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.34 1wh7 n TRP 41 Cb 0.33 -2.99 -0.11 0.00 -2.42 0.00 0.00 31.31 26.11 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 -4.49 0.30 -0.19 -0.99 1.70 -1.15 -4.61 118.95 109.52 1wh7 s ARG 42 Ca 0.00 0.16 -0.02 0.00 -0.47 0.00 0.00 55.73 55.40 1wh7 s ARG 42 Cb 0.00 0.14 -0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1wh7 s ARG 42 CO 0.00 -0.05 -0.11 0.42 -1.08 0.00 0.00 175.30 174.48 1wh7 s ILE 43 N -0.19 2.93 0.00 4.99 1.01 -1.26 -4.67 121.20 124.01 1wh7 s ILE 43 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1wh7 s ILE 43 Cb -0.03 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1wh7 s ILE 43 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 174.94 175.43 1wh7 n GLN 44 N 4.44 3.77 0.08 2.79 6.02 -1.26 -4.97 117.38 128.26 1wh7 n GLN 44 Ca -0.19 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.89 1wh7 n GLN 44 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 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 0.61 0.05 -1.09 0.00 -1.26 -3.70 118.16 112.77 1wh7 n LYS 45 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 58.31 58.46 1wh7 n LYS 45 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 35.03 33.17 1wh7 n LYS 45 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1wh7 h HIS 46 N 0.00 0.00 0.00 5.64 2.07 -2.02 -3.27 115.15 117.57 1wh7 h HIS 46 Ca -0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 1wh7 h HIS 46 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1wh7 h HIS 46 CO 0.00 0.46 0.00 -0.25 -3.07 0.00 0.00 177.93 175.07 1wh7 n ASP 47 N -2.86 0.34 -0.29 3.10 9.92 -1.25 -3.30 116.55 122.20 1wh7 n ASP 47 Ca -0.07 0.55 0.08 0.00 -0.53 0.00 0.00 54.79 54.81 1wh7 n ASP 47 Cb 0.78 -0.63 0.23 0.00 -0.64 0.00 0.00 41.12 40.85 1wh7 n ASP 47 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wh7 h ASP 48 N 0.00 0.44 0.62 -2.24 5.19 -1.64 1.17 116.42 119.97 1wh7 h ASP 48 Ca 0.00 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1wh7 h ASP 48 Cb 0.51 0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.07 1wh7 h ASP 48 CO 0.00 0.16 -0.30 0.58 -3.12 0.00 0.00 179.24 176.56 1wh7 h VAL 49 N 0.55 0.05 -1.01 -1.35 2.07 -1.81 -1.44 116.25 113.31 1wh7 h VAL 49 Ca 0.47 -0.39 0.24 0.00 0.82 0.00 0.00 66.70 67.84 1wh7 h VAL 49 Cb 0.71 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 1wh7 h VAL 49 CO -0.40 0.01 0.62 0.00 0.02 0.00 0.00 177.57 177.82 1wh7 h ALA 50 N -1.16 1.89 -0.45 1.67 0.00 -1.54 0.64 119.26 120.31 1wh7 h ALA 50 Ca -0.08 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wh7 h ALA 50 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wh7 h ALA 50 CO 0.14 -0.33 0.26 0.28 0.00 0.00 0.00 179.25 179.60 1wh7 h VAL 51 N 0.56 1.15 -0.32 0.00 2.07 0.15 0.11 116.25 119.97 1wh7 h VAL 51 Ca 0.62 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 1wh7 h VAL 51 Cb 1.24 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1wh7 h VAL 51 CO -0.41 0.16 0.03 -0.33 0.02 0.00 0.00 177.57 177.04 1wh7 h GLU 52 N 0.60 0.55 -0.85 1.57 5.08 0.12 -0.93 114.58 120.71 1wh7 h GLU 52 Ca 0.16 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1wh7 h GLU 52 Cb 0.03 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1wh7 h GLU 52 CO -0.03 0.66 0.54 1.96 -1.00 0.00 0.00 179.01 181.14 1wh7 h GLN 53 N 0.37 0.99 0.09 2.33 4.20 0.08 0.31 115.11 123.48 1wh7 h GLN 53 Ca 0.10 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1wh7 h GLN 53 Cb 0.39 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1wh7 h GLN 53 CO 0.01 0.66 -0.04 0.35 -0.67 0.00 0.00 178.83 179.14 1wh7 h PHE 54 N 1.02 -0.11 -0.41 2.96 3.57 -0.57 -2.57 116.94 120.83 1wh7 h PHE 54 Ca 0.35 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.89 1wh7 h PHE 54 Cb 0.08 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1wh7 h PHE 54 CO -0.03 0.15 0.18 0.00 -2.23 0.00 0.00 178.31 176.38 1wh7 h ALA 56 N 1.24 1.37 0.00 0.00 0.00 -0.26 1.40 119.26 123.01 1wh7 h ALA 56 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wh7 h ALA 56 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wh7 h ALA 56 CO -0.16 -0.33 -0.17 0.39 0.00 0.00 0.00 179.25 178.99 1wh7 n GLU 57 N -2.98 0.09 0.05 0.00 1.02 0.13 -4.75 120.64 114.20 1wh7 n GLU 57 Ca -0.01 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1wh7 n GLU 57 Cb 0.37 -0.63 -0.09 0.00 -0.02 0.00 0.00 31.44 31.07 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wh7 h THR 58 N -0.17 1.09 0.00 2.62 1.35 0.21 -3.47 112.91 114.53 1wh7 h THR 58 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1wh7 h THR 58 Cb 0.17 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1wh7 h THR 58 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1wh7 n GLY 59 N -0.36 0.89 3.76 5.82 0.00 0.48 -4.98 105.19 110.79 1wh7 n GLY 59 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 3.41 0.15 1.61 1.01 -1.26 -4.97 120.40 118.35 1wh7 s VAL 60 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 1wh7 s VAL 60 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1wh7 s VAL 60 CO 0.00 0.32 0.90 -0.13 0.00 0.00 0.00 175.10 176.19 1wh7 s ARG 61 N -1.34 4.71 0.22 2.72 0.52 -1.26 -4.36 118.95 120.16 1wh7 s ARG 61 Ca 0.46 1.37 -0.17 0.00 -0.52 0.00 0.00 55.73 56.87 1wh7 s ARG 61 Cb -0.33 -3.33 0.23 0.00 0.52 0.00 0.00 34.95 32.05 1wh7 s ARG 61 CO 0.42 0.37 1.56 -0.09 0.02 0.00 0.00 175.30 177.59 1wh7 h ARG 62 N 4.95 -0.04 -0.51 3.54 2.43 -1.94 1.61 114.38 124.42 1wh7 h ARG 62 Ca -0.44 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.79 1wh7 h ARG 62 Cb 1.21 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 1wh7 h ARG 62 CO 0.70 -0.03 0.20 -0.56 -1.51 0.00 0.00 179.97 178.77 1wh7 h GLN 63 N -0.04 0.38 0.12 0.20 3.07 -1.97 1.57 115.11 118.43 1wh7 h GLN 63 Ca 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 59.04 1wh7 h GLN 63 Cb 0.60 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1wh7 h GLN 63 CO -0.90 0.25 -0.06 0.28 0.09 0.00 0.00 178.83 178.50 1wh7 h VAL 64 N 0.39 0.99 0.10 1.86 2.07 -0.24 0.53 116.25 121.95 1wh7 h VAL 64 Ca 0.24 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1wh7 h VAL 64 Cb 0.23 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wh7 h VAL 64 CO -0.23 0.10 -0.13 0.25 0.02 0.00 0.00 177.57 177.59 1wh7 h LEU 65 N -0.35 -0.35 0.27 2.57 5.85 0.25 1.49 115.31 125.05 1wh7 h LEU 65 Ca -0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1wh7 h LEU 65 Cb 0.29 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1wh7 h LEU 65 CO 0.03 -0.19 -0.35 0.50 -0.34 0.00 0.00 178.44 178.09 1wh7 h LYS 66 N -0.27 -0.65 -0.01 1.25 3.64 0.23 1.12 116.57 121.89 1wh7 h LYS 66 Ca 0.01 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1wh7 h LYS 66 Cb 0.27 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1wh7 h LYS 66 CO -0.06 -0.43 0.01 0.82 -2.27 0.00 0.00 179.45 177.52 1wh7 h ILE 67 N -0.67 0.90 0.23 2.00 2.04 0.30 0.13 117.51 122.44 1wh7 h ILE 67 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1wh7 h ILE 67 Cb 0.63 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1wh7 h ILE 67 CO -0.11 0.00 -0.11 -0.25 0.00 0.00 0.00 178.15 177.68 1wh7 h TRP 68 N 0.00 -0.28 -0.42 1.37 7.01 0.40 -1.48 115.95 122.54 1wh7 h TRP 68 Ca 0.01 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.07 1wh7 h TRP 68 Cb 0.03 0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.12 1wh7 h TRP 68 CO 0.00 0.10 0.09 0.52 -2.79 0.00 0.00 178.44 176.36 1wh7 h MET 69 N -0.80 0.21 0.00 2.65 2.86 0.20 0.55 114.93 120.60 1wh7 h MET 69 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1wh7 h MET 69 Cb 0.51 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1wh7 h MET 69 CO 0.05 0.14 0.00 1.58 1.06 0.00 0.00 176.91 179.74 1wh7 n HIS 70 N -5.10 0.21 0.70 -0.22 -0.00 0.38 -0.77 115.22 110.42 1wh7 n HIS 70 Ca 0.03 0.09 0.10 0.00 -0.00 0.00 0.00 57.72 57.94 1wh7 n HIS 70 Cb 0.19 -0.64 -0.13 0.00 -0.00 0.00 0.00 29.99 29.42 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 -1.69 0.74 -0.49 0.26 3.02 0.15 -4.18 115.26 113.06 1wh7 n ASN 71 Ca 0.02 -0.71 0.07 0.00 -0.03 0.00 0.00 54.58 53.93 1wh7 n ASN 71 Cb 0.14 1.27 0.19 0.00 -0.61 0.00 0.00 39.78 40.77 1wh7 n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wh7 n ASN 72 N -1.69 1.83 -4.68 6.41 3.02 0.13 -5.02 115.26 115.25 1wh7 n ASN 72 Ca 0.02 -3.63 -0.30 0.00 -0.03 0.00 0.00 54.58 50.63 1wh7 n ASN 72 Cb 0.38 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 1wh7 n ASN 72 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1wh7 s LYS 73 N -3.02 2.53 -0.28 3.52 -2.85 -0.27 -4.82 119.74 114.55 1wh7 s LYS 73 Ca 0.36 -0.84 -0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1wh7 s LYS 73 Cb 0.34 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.58 1wh7 s LYS 73 CO -0.05 0.54 0.01 0.09 0.10 0.00 0.00 175.35 176.04 1wh7 n ASN 74 N 0.56 -7.72 0.00 0.03 3.02 -1.26 -4.99 115.26 104.90 1wh7 n ASN 74 Ca -0.11 1.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.80 1wh7 n ASN 74 Cb 0.52 -5.05 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 1wh7 n ASN 74 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wh7 n SER 75 N 0.79 0.00 -3.55 6.41 2.88 -1.26 -4.90 113.62 114.00 1wh7 n SER 75 Ca -0.01 0.41 -0.32 0.00 -1.33 0.00 0.00 58.87 57.61 1wh7 n SER 75 Cb 0.06 -0.29 0.03 0.00 -0.75 0.00 0.00 64.21 63.26 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 1.49 -3.65 3.76 0.46 0.00 -1.26 -4.85 105.19 101.15 1wh7 n GLY 76 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1wh7 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh7 s PRO 77 N -1.46 4.56 0.21 1.61 0.04 -1.26 -4.78 135.00 133.92 1wh7 s PRO 77 Ca 0.40 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1wh7 s PRO 77 Cb -0.25 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1wh7 s PRO 77 CO 0.67 0.16 0.00 0.43 0.04 0.00 0.00 177.00 178.31 1wh7 n SER 78 N 0.95 -1.92 -3.92 6.66 7.64 -1.26 -5.15 113.62 116.62 1wh7 n SER 78 Ca 0.00 0.67 -0.09 0.00 1.01 0.00 0.00 58.87 60.45 1wh7 n SER 78 Cb 0.46 2.04 -0.09 0.00 -1.01 0.00 0.00 64.21 65.61 1wh7 n SER 78 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh7 s SER 79 N -1.94 0.16 0.00 6.43 0.15 -1.26 -5.29 113.70 111.96 1wh7 s SER 79 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wh7 s SER 79 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1wh7 s SER 79 CO 0.00 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.53