#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 -3.09 -4.64 1.61 7.64 -1.26 -5.12 113.62 108.76 1wh7 n SER 2 Ca 0.00 0.74 -0.47 0.00 1.01 0.00 0.00 58.87 60.15 1wh7 n SER 2 Cb 0.00 2.99 -0.04 0.00 -1.01 0.00 0.00 64.21 66.15 1wh7 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh7 n SER 3 N -3.25 2.44 -3.32 6.43 2.88 -1.26 -4.95 113.62 112.59 1wh7 n SER 3 Ca 0.00 1.12 -0.13 0.00 -1.33 0.00 0.00 58.87 58.53 1wh7 n SER 3 Cb 0.00 -1.35 -0.06 0.00 -0.75 0.00 0.00 64.21 62.05 1wh7 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh7 s GLY 4 N 0.46 -0.30 0.55 0.46 0.00 -1.26 -5.11 107.32 102.13 1wh7 s GLY 4 Ca 0.75 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1wh7 s GLY 4 CO 0.46 2.95 0.00 1.44 0.00 0.00 0.00 173.10 177.95 1wh7 n SER 5 N 4.21 -8.58 -3.62 1.64 7.64 -1.26 -5.08 113.62 108.57 1wh7 n SER 5 Ca 0.12 1.49 -0.06 0.00 1.01 0.00 0.00 58.87 61.43 1wh7 n SER 5 Cb 0.48 -4.94 -0.05 0.00 -1.01 0.00 0.00 64.21 58.69 1wh7 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh7 s SER 6 N -4.17 -0.18 0.00 6.43 0.15 -1.26 -5.15 113.70 109.52 1wh7 s SER 6 Ca 0.00 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1wh7 s SER 6 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wh7 s SER 6 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wh7 n GLY 7 N 0.77 0.15 2.56 9.45 0.00 -1.26 -5.07 105.19 111.80 1wh7 n GLY 7 Ca -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 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 0.49 -4.53 -3.63 1.61 2.88 -1.26 -5.03 113.62 104.14 1wh7 n SER 8 Ca 0.00 1.28 -0.29 0.00 -1.33 0.00 0.00 58.87 58.53 1wh7 n SER 8 Cb 0.00 -4.94 -0.15 0.00 -0.75 0.00 0.00 64.21 58.37 1wh7 n SER 8 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1wh7 s ASN 9 N -1.12 3.77 0.07 -3.46 3.84 -1.26 -5.12 114.94 111.66 1wh7 s ASN 9 Ca -0.11 -1.45 -0.30 0.00 0.21 0.00 0.00 52.86 51.20 1wh7 s ASN 9 Cb 0.01 -0.60 -0.06 0.00 -0.55 0.00 0.00 41.25 40.05 1wh7 s ASN 9 CO 0.72 -0.43 1.16 -2.16 -2.79 0.00 0.00 177.10 173.61 1wh7 s PRO 10 N 1.87 4.46 -0.35 0.43 0.04 -1.26 -4.97 135.00 135.21 1wh7 s PRO 10 Ca 0.09 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1wh7 s PRO 10 Cb -0.17 -3.35 0.19 0.00 0.04 0.00 0.00 34.50 31.21 1wh7 s PRO 10 CO -0.31 -0.20 0.92 0.45 0.04 0.00 0.00 177.00 177.90 1wh7 s SER 11 N 0.93 -0.71 0.00 6.66 0.15 -1.26 -5.12 113.70 114.34 1wh7 s SER 11 Ca 0.57 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1wh7 s SER 11 Cb -0.28 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1wh7 s SER 11 CO 0.30 -0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.42 1wh7 n SER 12 N 3.84 0.00 -3.88 5.45 2.88 -1.26 -5.15 113.62 115.50 1wh7 n SER 12 Ca 0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 1wh7 n SER 12 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1wh7 n SER 12 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh7 s SER 13 N 0.00 -0.23 0.00 -3.46 0.01 -1.26 -5.17 113.70 103.59 1wh7 s SER 13 Ca 0.00 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1wh7 s SER 13 Cb 0.00 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1wh7 s SER 13 CO 0.00 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.98 1wh7 n GLY 14 N -0.43 4.29 2.96 3.44 0.00 -1.26 -4.98 105.19 109.21 1wh7 n GLY 14 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1wh7 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh7 s GLY 15 N 0.00 1.00 0.30 -0.02 0.00 -1.26 -5.13 107.32 102.21 1wh7 s GLY 15 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.01 1wh7 s GLY 15 CO 0.00 0.69 0.29 -0.51 0.00 0.00 0.00 173.10 173.57 1wh7 s THR 16 N 1.58 4.04 0.28 0.90 -4.23 -1.26 -4.99 115.64 111.96 1wh7 s THR 16 Ca 0.04 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1wh7 s THR 16 Cb -0.13 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1wh7 s THR 16 CO -0.09 -0.24 0.00 0.41 -0.54 0.00 0.00 174.62 174.15 1wh7 n THR 17 N -1.34 0.00 -2.70 3.99 -1.04 -1.26 -5.03 114.28 106.90 1wh7 n THR 17 Ca -0.04 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 1wh7 n THR 17 Cb 0.59 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.18 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 -3.18 0.73 -3.70 -2.82 2.85 -1.26 -5.15 118.16 105.63 1wh7 n LYS 18 Ca 0.00 -1.43 -0.10 0.00 -1.05 0.00 0.00 58.31 55.73 1wh7 n LYS 18 Cb 0.00 -0.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.89 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 0.16 1.17 -0.26 -1.58 0.52 -1.26 -5.15 118.95 112.56 1wh7 s ARG 19 Ca 0.19 -0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1wh7 s ARG 19 Cb 0.28 0.47 0.02 0.00 0.52 0.00 0.00 34.95 36.25 1wh7 s ARG 19 CO -0.09 -0.47 -0.04 -0.06 0.02 0.00 0.00 175.30 174.67 1wh7 s PHE 20 N -3.84 3.08 0.00 -0.53 0.40 -1.26 -5.03 117.98 110.80 1wh7 s PHE 20 Ca 0.06 -1.45 0.00 0.00 -0.60 0.00 0.00 56.93 54.94 1wh7 s PHE 20 Cb 0.01 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.45 1wh7 s PHE 20 CO -0.08 -0.70 0.00 -2.13 0.70 0.00 0.00 175.22 173.01 1wh7 n ARG 21 N 4.70 0.00 -4.12 0.44 0.00 -1.26 -5.17 116.66 111.25 1wh7 n ARG 21 Ca -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.36 1wh7 n ARG 21 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.86 1wh7 n ARG 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wh7 s THR 22 N 0.00 4.62 -0.16 5.15 -4.23 -1.26 -5.06 115.64 114.71 1wh7 s THR 22 Ca 0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1wh7 s THR 22 Cb 0.00 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.75 1wh7 s THR 22 CO 0.00 0.33 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.75 1wh7 s LYS 23 N -1.77 2.14 0.32 3.99 -0.14 -1.26 -5.12 119.74 117.89 1wh7 s LYS 23 Ca 0.23 -0.59 0.04 0.00 -1.36 0.00 0.00 55.97 54.29 1wh7 s LYS 23 Cb -0.12 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 33.85 1wh7 s LYS 23 CO 0.14 -0.29 0.03 -0.06 -0.76 0.00 0.00 175.35 174.41 1wh7 s PHE 24 N 1.50 1.97 0.16 3.18 0.08 -1.26 -5.03 117.98 118.57 1wh7 s PHE 24 Ca 0.04 -0.89 0.04 0.00 0.12 0.00 0.00 56.93 56.23 1wh7 s PHE 24 Cb -0.14 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1wh7 s PHE 24 CO -0.10 0.08 0.20 -0.08 -0.10 0.00 0.00 175.22 175.21 1wh7 s THR 25 N -3.22 4.83 0.27 0.64 -1.32 -1.26 -4.95 115.64 110.62 1wh7 s THR 25 Ca 0.35 -0.92 -0.10 0.00 -1.21 0.00 0.00 61.69 59.80 1wh7 s THR 25 Cb 0.08 -3.47 0.41 0.00 -1.51 0.00 0.00 72.50 68.00 1wh7 s THR 25 CO 0.15 -0.10 1.56 0.00 -2.21 0.00 0.00 174.62 174.01 1wh7 h ALA 26 N 2.29 0.55 -0.77 11.08 0.00 -2.01 0.43 119.26 130.83 1wh7 h ALA 26 Ca -0.48 0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1wh7 h ALA 26 Cb 1.20 0.80 -0.12 0.00 0.00 0.00 0.00 17.79 19.67 1wh7 h ALA 26 CO 0.65 -0.43 -0.49 1.49 0.00 0.00 0.00 179.25 180.47 1wh7 h GLU 27 N -0.00 -0.13 -0.13 0.00 4.57 -1.98 1.54 114.58 118.45 1wh7 h GLU 27 Ca 0.45 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.67 1wh7 h GLU 27 Cb 0.70 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 1wh7 h GLU 27 CO -1.01 -0.09 -0.07 1.96 -1.18 0.00 0.00 179.01 178.63 1wh7 h GLN 28 N -0.13 -0.06 -0.09 1.92 4.20 -0.60 0.92 115.11 121.28 1wh7 h GLN 28 Ca 0.19 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.94 1wh7 h GLN 28 Cb 0.53 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1wh7 h GLN 28 CO -0.82 -0.04 -0.17 0.87 -0.67 0.00 0.00 178.83 178.01 1wh7 h LYS 29 N -0.06 -0.22 0.77 1.46 6.56 0.56 0.74 116.57 126.38 1wh7 h LYS 29 Ca 0.07 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.64 1wh7 h LYS 29 Cb 0.17 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1wh7 h LYS 29 CO -0.17 -0.15 -0.40 0.93 -2.06 0.00 0.00 179.45 177.60 1wh7 h GLU 30 N -0.23 -1.04 -0.34 3.15 5.08 0.25 0.90 114.58 122.36 1wh7 h GLU 30 Ca 0.08 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1wh7 h GLU 30 Cb 0.34 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 1wh7 h GLU 30 CO -0.22 -0.69 -0.33 0.87 -1.00 0.00 0.00 179.01 177.64 1wh7 h LYS 31 N -1.07 -0.28 -0.24 2.33 6.56 0.11 -0.86 116.57 123.12 1wh7 h LYS 31 Ca -0.10 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1wh7 h LYS 31 Cb 0.84 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 1wh7 h LYS 31 CO 0.15 -0.18 0.10 0.52 -2.06 0.00 0.00 179.45 177.97 1wh7 h MET 32 N -0.29 0.21 -0.89 3.15 2.86 0.64 1.27 114.93 121.89 1wh7 h MET 32 Ca 0.15 -0.01 0.24 0.00 -2.06 0.00 0.00 59.70 58.02 1wh7 h MET 32 Cb 0.54 -0.05 -0.15 0.00 0.06 0.00 0.00 31.60 32.01 1wh7 h MET 32 CO -0.50 0.14 0.18 -0.07 1.06 0.00 0.00 176.91 177.72 1wh7 h LEU 33 N 0.21 -0.11 0.00 1.22 -0.00 0.21 0.60 115.31 117.44 1wh7 h LEU 33 Ca 0.10 0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 1wh7 h LEU 33 Cb 0.05 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1wh7 h LEU 33 CO -0.09 -0.20 -0.10 0.00 -0.00 0.00 0.00 178.44 178.05 1wh7 h ALA 34 N 1.82 0.01 -0.89 1.53 0.00 -0.50 -2.99 119.26 118.23 1wh7 h ALA 34 Ca 0.55 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.39 1wh7 h ALA 34 Cb 1.13 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1wh7 h ALA 34 CO -0.71 0.08 -0.35 0.34 0.00 0.00 0.00 179.25 178.61 1wh7 n PHE 35 N -4.71 0.03 -0.11 0.00 7.35 0.43 0.14 117.46 120.59 1wh7 n PHE 35 Ca -0.04 1.09 -0.09 0.00 -0.76 0.00 0.00 57.45 57.66 1wh7 n PHE 35 Cb 0.16 -0.83 -0.01 0.00 0.35 0.00 0.00 39.48 39.15 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 1.23 0.44 -0.33 3.13 0.00 0.02 0.14 119.26 123.89 1wh7 h ALA 36 Ca 0.31 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1wh7 h ALA 36 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wh7 h ALA 36 CO -0.88 -0.07 0.39 0.93 0.00 0.00 0.00 179.25 179.61 1wh7 h GLU 37 N 0.46 0.00 0.00 0.00 4.39 0.13 1.63 114.58 121.20 1wh7 h GLU 37 Ca 0.13 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1wh7 h GLU 37 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1wh7 h GLU 37 CO -0.03 0.00 -0.49 0.00 -1.16 0.00 0.00 179.01 177.34 1wh7 h ARG 38 N 0.00 0.00 0.00 2.33 3.08 0.94 -3.31 114.38 117.43 1wh7 h ARG 38 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1wh7 h ARG 38 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1wh7 h ARG 38 CO -0.00 0.77 0.00 1.28 -1.07 0.00 0.00 179.97 180.95 1wh7 n LEU 39 N -4.57 0.17 0.00 3.04 4.77 -0.13 -4.84 117.00 115.44 1wh7 n LEU 39 Ca -0.16 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1wh7 n LEU 39 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1wh7 n LEU 39 CO 0.22 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1wh7 n GLY 40 N -0.07 0.47 2.37 -0.72 0.00 0.50 -3.11 105.19 104.62 1wh7 n GLY 40 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.44 -0.24 -3.79 1.61 7.02 0.21 -4.96 117.44 113.86 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 0.28 -2.74 -0.12 0.00 -2.42 0.00 0.00 31.31 26.31 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 -3.75 0.23 -0.18 -0.99 1.70 -1.18 -4.71 118.95 110.07 1wh7 s ARG 42 Ca 0.00 0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 55.54 1wh7 s ARG 42 Cb 0.00 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1wh7 s ARG 42 CO 0.00 -0.05 -0.01 0.42 -1.08 0.00 0.00 175.30 174.58 1wh7 s ILE 43 N 0.31 4.01 0.26 4.99 1.01 -1.26 -4.67 121.20 125.85 1wh7 s ILE 43 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1wh7 s ILE 43 Cb -0.03 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1wh7 s ILE 43 CO -0.01 0.46 0.12 0.00 0.00 0.00 0.00 174.94 175.51 1wh7 n GLN 44 N 3.88 1.21 0.21 2.79 6.02 -1.26 -4.96 117.38 125.27 1wh7 n GLN 44 Ca -0.17 -1.72 0.05 0.00 -0.01 0.00 0.00 57.00 55.15 1wh7 n GLN 44 Cb 0.52 0.29 0.46 0.00 1.02 0.00 0.00 30.24 32.54 1wh7 n GLN 44 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1wh7 h LYS 45 N 0.00 0.00 0.01 -1.09 2.10 -2.02 -1.97 116.57 113.61 1wh7 h LYS 45 Ca -0.18 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.27 1wh7 h LYS 45 Cb 0.62 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 1wh7 h LYS 45 CO 0.29 0.28 -0.91 1.12 -2.00 0.00 0.00 179.45 178.23 1wh7 h HIS 46 N 0.00 0.16 -0.63 0.07 2.07 -2.02 -3.25 115.15 111.56 1wh7 h HIS 46 Ca -0.00 -0.10 -0.36 0.00 -2.85 0.00 0.00 60.37 57.06 1wh7 h HIS 46 Cb 0.54 -0.01 -0.13 0.00 2.57 0.00 0.00 27.41 30.37 1wh7 h HIS 46 CO 0.00 0.95 0.16 -0.25 -3.07 0.00 0.00 177.93 175.72 1wh7 n ASP 47 N -3.56 6.07 -0.08 3.10 8.00 -0.74 -4.24 116.55 125.09 1wh7 n ASP 47 Ca -0.02 -2.94 -0.09 0.00 0.71 0.00 0.00 54.79 52.45 1wh7 n ASP 47 Cb 0.84 -1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1wh7 n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wh7 n ASP 48 N 1.28 1.87 0.12 -2.24 9.92 -1.23 -3.82 116.55 122.45 1wh7 n ASP 48 Ca 0.42 0.49 -0.14 0.00 -0.53 0.00 0.00 54.79 55.03 1wh7 n ASP 48 Cb 0.65 -0.82 -0.08 0.00 -0.64 0.00 0.00 41.12 40.23 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1wh7 h VAL 49 N -1.00 0.87 -1.09 2.53 2.07 -1.87 -1.17 116.25 116.59 1wh7 h VAL 49 Ca -0.06 -0.33 0.30 0.00 0.82 0.00 0.00 66.70 67.44 1wh7 h VAL 49 Cb 0.81 1.06 -0.11 0.00 -1.52 0.00 0.00 31.29 31.53 1wh7 h VAL 49 CO -0.03 0.08 0.69 0.00 0.02 0.00 0.00 177.57 178.32 1wh7 h ALA 50 N 0.34 2.26 -0.29 1.67 0.00 -1.81 1.26 119.26 122.69 1wh7 h ALA 50 Ca -0.03 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1wh7 h ALA 50 Cb 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wh7 h ALA 50 CO 0.04 -0.74 -0.26 0.28 0.00 0.00 0.00 179.25 178.57 1wh7 h VAL 51 N 0.34 1.30 -0.43 0.00 2.07 -1.52 -1.22 116.25 116.79 1wh7 h VAL 51 Ca 0.66 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1wh7 h VAL 51 Cb 1.71 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1wh7 h VAL 51 CO -0.37 0.45 -0.04 -0.33 0.02 0.00 0.00 177.57 177.30 1wh7 h GLU 52 N 0.43 0.80 -0.81 1.57 5.08 0.20 -1.56 114.58 120.28 1wh7 h GLU 52 Ca 0.05 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1wh7 h GLU 52 Cb 0.82 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1wh7 h GLU 52 CO 0.07 0.89 0.49 1.96 -1.00 0.00 0.00 179.01 181.41 1wh7 h GLN 53 N 0.63 1.10 -0.21 2.33 4.20 0.12 0.12 115.11 123.40 1wh7 h GLN 53 Ca 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1wh7 h GLN 53 Cb 0.55 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1wh7 h GLN 53 CO 0.03 0.78 0.08 0.35 -0.67 0.00 0.00 178.83 179.39 1wh7 h PHE 54 N 1.11 0.32 -0.33 2.96 3.57 -1.03 -2.64 116.94 120.92 1wh7 h PHE 54 Ca 0.29 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1wh7 h PHE 54 Cb -0.04 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1wh7 h PHE 54 CO -0.00 0.38 0.21 0.00 -2.23 0.00 0.00 178.31 176.67 1wh7 h ALA 56 N 1.11 1.95 -0.69 0.00 0.00 -0.55 1.32 119.26 122.40 1wh7 h ALA 56 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wh7 h ALA 56 Cb -0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wh7 h ALA 56 CO -0.02 -0.68 0.00 -1.91 0.00 0.00 0.00 179.25 176.63 1wh7 n GLU 57 N -3.34 0.00 0.16 0.00 0.00 0.18 -4.74 120.64 112.89 1wh7 n GLU 57 Ca 0.06 0.09 -0.14 0.00 0.00 0.00 0.00 57.16 57.17 1wh7 n GLU 57 Cb 0.65 -0.50 -0.08 0.00 0.00 0.00 0.00 31.44 31.52 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1wh7 h THR 58 N 0.00 0.70 0.00 6.31 1.35 0.06 -3.48 112.91 117.85 1wh7 h THR 58 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1wh7 h THR 58 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1wh7 h THR 58 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1wh7 n GLY 59 N -0.45 1.11 3.75 5.82 0.00 0.45 -5.01 105.19 110.86 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 3.45 0.08 1.61 1.01 -1.26 -4.96 120.40 118.33 1wh7 s VAL 60 Ca 0.00 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 1wh7 s VAL 60 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1wh7 s VAL 60 CO 0.00 0.24 0.88 -0.13 0.00 0.00 0.00 175.10 176.09 1wh7 s ARG 61 N -0.65 4.61 0.27 2.72 0.52 -1.26 -4.37 118.95 120.79 1wh7 s ARG 61 Ca 0.51 1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 56.91 1wh7 s ARG 61 Cb -0.33 -3.38 0.40 0.00 0.52 0.00 0.00 34.95 32.17 1wh7 s ARG 61 CO 0.39 0.23 1.56 -0.09 0.02 0.00 0.00 175.30 177.41 1wh7 h ARG 62 N 5.67 -0.00 -0.47 3.54 2.43 -1.94 1.42 114.38 125.03 1wh7 h ARG 62 Ca -0.43 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 1wh7 h ARG 62 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1wh7 h ARG 62 CO 0.72 -0.00 0.23 -0.56 -1.51 0.00 0.00 179.97 178.85 1wh7 h GLN 63 N -0.00 0.45 -0.06 0.20 3.07 -1.97 1.50 115.11 118.29 1wh7 h GLN 63 Ca 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 59.15 1wh7 h GLN 63 Cb 0.69 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 1wh7 h GLN 63 CO -0.99 0.30 0.02 0.28 0.09 0.00 0.00 178.83 178.52 1wh7 h VAL 64 N 0.47 1.18 0.61 1.86 2.07 0.41 0.38 116.25 123.22 1wh7 h VAL 64 Ca 0.20 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1wh7 h VAL 64 Cb 0.11 1.44 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1wh7 h VAL 64 CO -0.14 0.15 -0.29 0.25 0.02 0.00 0.00 177.57 177.55 1wh7 h LEU 65 N -0.12 -0.69 -0.84 2.57 5.85 0.19 1.51 115.31 123.79 1wh7 h LEU 65 Ca 0.02 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.95 1wh7 h LEU 65 Cb 0.23 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.32 1wh7 h LEU 65 CO -0.00 -0.49 0.31 0.50 -0.34 0.00 0.00 178.44 178.42 1wh7 h LYS 66 N -0.83 0.35 -0.07 1.25 3.64 0.21 0.77 116.57 121.90 1wh7 h LYS 66 Ca -0.08 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 1wh7 h LYS 66 Cb 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1wh7 h LYS 66 CO 0.14 0.23 -0.67 0.82 -2.27 0.00 0.00 179.45 177.70 1wh7 h ILE 67 N 0.36 1.39 -0.40 2.00 2.04 -0.42 -2.82 117.51 119.67 1wh7 h ILE 67 Ca 0.50 -2.10 0.03 0.00 1.00 0.00 0.00 64.86 64.29 1wh7 h ILE 67 Cb 0.90 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 1wh7 h ILE 67 CO -0.52 0.62 0.20 -0.25 0.00 0.00 0.00 178.15 178.20 1wh7 h TRP 68 N 0.21 0.36 0.56 1.37 7.01 0.83 -0.47 115.95 125.83 1wh7 h TRP 68 Ca -0.02 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1wh7 h TRP 68 Cb 1.21 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 1wh7 h TRP 68 CO 0.03 0.19 -0.39 0.52 -2.79 0.00 0.00 178.44 175.99 1wh7 h MET 69 N 0.40 -0.89 -0.31 2.65 2.86 -0.39 -0.87 114.93 118.38 1wh7 h MET 69 Ca 0.17 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.96 1wh7 h MET 69 Cb 0.08 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1wh7 h MET 69 CO -0.12 -0.59 0.44 1.25 1.06 0.00 0.00 176.91 178.95 1wh7 h HIS 70 N -0.92 0.00 -0.53 -0.22 -0.00 -1.24 1.44 115.15 113.68 1wh7 h HIS 70 Ca -0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.11 1wh7 h HIS 70 Cb 0.77 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.06 1wh7 h HIS 70 CO -0.13 0.00 0.25 0.09 -0.00 0.00 0.00 177.93 178.13 1wh7 n ASN 71 N -3.46 3.71 0.10 3.26 3.02 -0.21 -4.24 115.26 117.44 1wh7 n ASN 71 Ca 0.05 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 1wh7 n ASN 71 Cb 0.59 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.16 -0.71 -4.16 6.41 3.02 0.46 -5.00 115.26 115.13 1wh7 n ASN 72 Ca 0.30 0.34 -0.35 0.00 -0.03 0.00 0.00 54.58 54.84 1wh7 n ASN 72 Cb 1.09 0.81 0.09 0.00 -0.61 0.00 0.00 39.78 41.16 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 -3.04 -0.46 -1.41 3.52 2.85 0.73 -4.48 118.16 115.88 1wh7 n LYS 73 Ca 0.00 -0.12 -0.49 0.00 -1.05 0.00 0.00 58.31 56.65 1wh7 n LYS 73 Cb 0.00 -1.36 -0.11 0.00 -0.65 0.00 0.00 35.03 32.91 1wh7 n LYS 73 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1wh7 n ASN 74 N 1.18 1.04 0.00 -5.58 6.94 -1.26 -4.82 115.26 112.77 1wh7 n ASN 74 Ca 0.01 0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1wh7 n ASN 74 Cb 0.62 -1.05 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1wh7 n ASN 74 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1wh7 n SER 75 N 9.84 0.00 -3.57 0.53 7.64 -1.26 -4.77 113.62 122.03 1wh7 n SER 75 Ca 0.54 0.96 -0.32 0.00 1.01 0.00 0.00 58.87 61.06 1wh7 n SER 75 Cb 0.10 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.96 -3.49 0.60 0.23 0.00 -1.26 -4.95 105.19 95.36 1wh7 n GLY 76 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 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 1.78 -0.78 -3.76 1.61 -0.04 -1.26 -5.10 135.00 127.45 1wh7 n PRO 77 Ca 0.02 -0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.04 1wh7 n PRO 77 Cb 0.45 -0.25 -0.13 0.00 -0.04 0.00 0.00 33.50 33.54 1wh7 n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wh7 s SER 78 N -1.89 -0.22 0.79 3.54 1.04 -1.26 -5.15 113.70 110.55 1wh7 s SER 78 Ca 0.12 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 1wh7 s SER 78 Cb -0.01 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1wh7 s SER 78 CO 0.09 -0.12 1.13 -0.44 0.98 0.00 0.00 173.24 174.87 1wh7 s SER 79 N 0.74 4.13 0.00 7.02 0.01 -1.26 -5.32 113.70 119.03 1wh7 s SER 79 Ca -0.05 2.03 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1wh7 s SER 79 Cb -0.07 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1wh7 s SER 79 CO -0.04 -2.29 0.00 0.61 0.41 0.00 0.00 173.24 171.93