#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 4.58 -0.41 1.61 1.04 -1.26 -5.08 113.70 114.19 1wh7 s SER 2 Ca 0.00 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.26 1wh7 s SER 2 Cb 0.00 -1.03 0.16 0.00 0.10 0.00 0.00 66.02 65.25 1wh7 s SER 2 CO 0.00 0.25 0.30 -0.44 0.98 0.00 0.00 173.24 174.34 1wh7 s SER 3 N -1.62 2.17 -0.22 7.02 0.01 -1.26 -5.10 113.70 114.70 1wh7 s SER 3 Ca 0.18 -2.80 -0.04 0.00 1.31 0.00 0.00 55.95 54.60 1wh7 s SER 3 Cb -0.11 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1wh7 s SER 3 CO 0.09 -0.22 -0.03 -0.83 0.41 0.00 0.00 173.24 172.67 1wh7 s GLY 4 N 0.33 1.64 0.36 3.44 0.00 -1.26 -5.10 107.32 106.72 1wh7 s GLY 4 Ca 0.27 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1wh7 s GLY 4 CO -0.12 0.40 0.73 -1.35 0.00 0.00 0.00 173.10 172.76 1wh7 s SER 5 N 1.40 6.60 -0.41 1.64 1.04 -1.26 -5.05 113.70 117.66 1wh7 s SER 5 Ca 0.05 1.14 0.02 0.00 0.48 0.00 0.00 55.95 57.63 1wh7 s SER 5 Cb -0.14 -2.32 0.19 0.00 0.10 0.00 0.00 66.02 63.84 1wh7 s SER 5 CO -0.01 -0.31 0.81 -0.44 0.98 0.00 0.00 173.24 174.27 1wh7 s SER 6 N -2.84 -1.07 0.00 7.02 0.01 -1.26 -5.14 113.70 110.43 1wh7 s SER 6 Ca 0.51 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1wh7 s SER 6 Cb -0.10 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.50 1wh7 s SER 6 CO 0.26 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1wh7 n GLY 7 N 3.68 4.00 2.98 3.44 0.00 -1.26 -5.14 105.19 112.88 1wh7 n GLY 7 Ca 0.11 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1wh7 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh7 s SER 8 N 1.00 2.62 -0.31 1.61 0.15 -1.26 -5.09 113.70 112.42 1wh7 s SER 8 Ca 0.00 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.18 1wh7 s SER 8 Cb 0.00 -1.07 0.09 0.00 -1.71 0.00 0.00 66.02 63.33 1wh7 s SER 8 CO 0.00 -0.09 0.05 0.20 1.20 0.00 0.00 173.24 174.60 1wh7 s ASN 9 N 1.55 4.25 0.54 5.45 -0.87 -1.26 -5.12 114.94 119.48 1wh7 s ASN 9 Ca 0.04 -1.73 -0.18 0.00 -1.57 0.00 0.00 52.86 49.42 1wh7 s ASN 9 Cb -0.13 -1.19 -0.06 0.00 -0.02 0.00 0.00 41.25 39.85 1wh7 s ASN 9 CO -0.10 -0.37 1.04 -2.16 -2.57 0.00 0.00 177.10 172.95 1wh7 s PRO 10 N 1.33 3.57 -0.15 -0.60 0.04 -1.26 -5.01 135.00 132.92 1wh7 s PRO 10 Ca 0.07 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 1wh7 s PRO 10 Cb -0.18 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1wh7 s PRO 10 CO -0.15 -0.61 -0.15 0.45 0.04 0.00 0.00 177.00 176.58 1wh7 n SER 11 N -1.55 1.81 -4.62 6.66 2.88 -1.26 -4.86 113.62 112.69 1wh7 n SER 11 Ca 0.09 0.61 -0.39 0.00 -1.33 0.00 0.00 58.87 57.85 1wh7 n SER 11 Cb 0.53 -0.88 -0.08 0.00 -0.75 0.00 0.00 64.21 63.03 1wh7 n SER 11 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh7 s SER 12 N -5.84 6.36 -0.37 -3.46 0.15 -1.26 -4.96 113.70 104.31 1wh7 s SER 12 Ca -0.16 0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 1wh7 s SER 12 Cb 0.02 -2.24 0.20 0.00 -1.71 0.00 0.00 66.02 62.29 1wh7 s SER 12 CO 0.26 -0.19 0.96 -0.94 1.20 0.00 0.00 173.24 174.53 1wh7 s SER 13 N 1.47 -0.64 0.00 5.45 1.04 -1.26 -5.15 113.70 114.61 1wh7 s SER 13 Ca 0.18 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1wh7 s SER 13 Cb -0.15 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1wh7 s SER 13 CO 0.09 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1wh7 n GLY 14 N 3.28 4.32 3.81 7.32 0.00 -1.26 -5.14 105.19 117.52 1wh7 n GLY 14 Ca 0.10 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 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 1.56 0.69 -0.02 0.00 -1.26 -5.12 107.32 103.18 1wh7 s GLY 15 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.29 1wh7 s GLY 15 CO 0.00 -1.34 1.08 -1.08 0.00 0.00 0.00 173.10 171.76 1wh7 s THR 16 N -1.94 3.81 0.02 0.90 -1.32 -1.26 -4.92 115.64 110.92 1wh7 s THR 16 Ca 0.32 0.59 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 1wh7 s THR 16 Cb -0.09 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 1wh7 s THR 16 CO 0.24 -0.77 0.00 0.41 -2.21 0.00 0.00 174.62 172.29 1wh7 n THR 17 N -2.99 0.00 -2.67 5.08 -1.04 -1.26 -5.04 114.28 106.36 1wh7 n THR 17 Ca 0.07 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.03 1wh7 n THR 17 Cb 0.56 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.16 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 -2.31 0.19 -3.87 -2.82 2.85 -1.26 -5.15 118.16 105.80 1wh7 n LYS 18 Ca 0.00 -0.79 -0.14 0.00 -1.05 0.00 0.00 58.31 56.33 1wh7 n LYS 18 Cb 0.00 -0.28 -0.15 0.00 -0.65 0.00 0.00 35.03 33.96 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 0.11 0.05 -0.16 -1.58 0.52 -1.26 -5.14 118.95 111.49 1wh7 s ARG 19 Ca 0.24 0.05 -0.17 0.00 -0.52 0.00 0.00 55.73 55.33 1wh7 s ARG 19 Cb 0.25 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 1wh7 s ARG 19 CO -0.14 -0.06 0.43 0.12 0.02 0.00 0.00 175.30 175.67 1wh7 s PHE 20 N 0.41 3.45 -0.13 -0.53 2.19 -1.26 -5.05 117.98 117.06 1wh7 s PHE 20 Ca -0.04 0.75 -0.29 0.00 0.33 0.00 0.00 56.93 57.69 1wh7 s PHE 20 Cb -0.05 -2.52 0.07 0.00 -1.31 0.00 0.00 43.02 39.21 1wh7 s PHE 20 CO -0.01 0.11 0.71 -0.98 1.83 0.00 0.00 175.22 176.87 1wh7 s ARG 21 N 0.88 0.96 0.42 10.12 1.70 -1.26 -5.16 118.95 126.61 1wh7 s ARG 21 Ca 0.22 0.51 -0.23 0.00 -0.47 0.00 0.00 55.73 55.76 1wh7 s ARG 21 Cb -0.15 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 1wh7 s ARG 21 CO 0.08 -0.25 1.02 0.95 -1.08 0.00 0.00 175.30 176.03 1wh7 s THR 22 N -0.65 3.87 -0.14 4.99 -4.23 -1.26 -5.05 115.64 113.17 1wh7 s THR 22 Ca -0.07 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1wh7 s THR 22 Cb -0.02 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.20 1wh7 s THR 22 CO 0.07 -0.09 -0.13 -0.75 -0.54 0.00 0.00 174.62 173.18 1wh7 s LYS 23 N -2.73 2.20 0.39 3.99 2.20 -1.26 -5.12 119.74 119.41 1wh7 s LYS 23 Ca 0.60 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1wh7 s LYS 23 Cb -0.18 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 1wh7 s LYS 23 CO 0.23 -0.24 0.13 -0.06 -0.36 0.00 0.00 175.35 175.06 1wh7 s PHE 24 N 1.52 1.78 0.22 4.03 0.08 -1.26 -5.16 117.98 119.19 1wh7 s PHE 24 Ca 0.05 -1.29 0.04 0.00 0.12 0.00 0.00 56.93 55.85 1wh7 s PHE 24 Cb -0.13 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1wh7 s PHE 24 CO -0.10 -0.33 0.35 -0.08 -0.10 0.00 0.00 175.22 174.96 1wh7 s THR 25 N -3.26 5.27 0.17 0.64 -1.32 -1.26 -4.90 115.64 110.98 1wh7 s THR 25 Ca 0.26 -0.88 -0.21 0.00 -1.21 0.00 0.00 61.69 59.66 1wh7 s THR 25 Cb 0.03 -3.83 0.08 0.00 -1.51 0.00 0.00 72.50 67.27 1wh7 s THR 25 CO 0.15 -0.28 1.36 0.00 -2.21 0.00 0.00 174.62 173.64 1wh7 n ALA 26 N -1.21 -0.33 -0.09 11.08 0.00 -1.26 -0.61 120.51 128.09 1wh7 n ALA 26 Ca -0.08 0.81 -0.03 0.00 0.00 0.00 0.00 53.44 54.14 1wh7 n ALA 26 Cb 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1wh7 n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wh7 h GLU 27 N 0.00 -0.04 -0.60 0.00 4.57 -1.98 0.55 114.58 117.08 1wh7 h GLU 27 Ca 0.23 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.50 1wh7 h GLU 27 Cb 0.45 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.93 1wh7 h GLU 27 CO -0.85 -0.02 -0.42 1.96 -1.18 0.00 0.00 179.01 178.49 1wh7 h GLN 28 N -0.04 -0.20 -0.06 1.92 4.20 -1.25 1.17 115.11 120.86 1wh7 h GLN 28 Ca 0.04 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1wh7 h GLN 28 Cb 0.13 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1wh7 h GLN 28 CO -0.23 -0.13 -0.19 0.87 -0.67 0.00 0.00 178.83 178.48 1wh7 h LYS 29 N -0.21 -0.18 -0.81 1.46 1.57 0.49 0.91 116.57 119.80 1wh7 h LYS 29 Ca 0.19 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.16 1wh7 h LYS 29 Cb 0.56 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.80 1wh7 h LYS 29 CO -0.70 -0.12 0.30 0.93 -0.57 0.00 0.00 179.45 179.28 1wh7 h GLU 30 N -0.19 0.37 -0.50 3.15 5.08 0.86 0.41 114.58 123.75 1wh7 h GLU 30 Ca 0.01 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1wh7 h GLU 30 Cb 0.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1wh7 h GLU 30 CO -0.16 0.24 0.25 0.87 -1.00 0.00 0.00 179.01 179.21 1wh7 h LYS 31 N 0.38 0.47 0.04 2.33 6.56 0.28 -2.06 116.57 124.57 1wh7 h LYS 31 Ca 0.47 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1wh7 h LYS 31 Cb 0.82 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1wh7 h LYS 31 CO -0.49 0.31 -0.02 0.52 -2.06 0.00 0.00 179.45 177.71 1wh7 h MET 32 N 0.48 -0.05 -0.86 3.15 2.86 0.43 0.32 114.93 121.25 1wh7 h MET 32 Ca 0.22 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.04 1wh7 h MET 32 Cb 0.14 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.65 1wh7 h MET 32 CO -0.16 0.16 -0.17 -0.07 1.06 0.00 0.00 176.91 177.73 1wh7 h LEU 33 N -0.27 -0.73 0.43 1.22 -0.00 0.01 0.54 115.31 116.51 1wh7 h LEU 33 Ca -0.01 0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 58.11 1wh7 h LEU 33 Cb 0.24 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1wh7 h LEU 33 CO 0.01 -0.28 -0.21 0.00 -0.00 0.00 0.00 178.44 177.96 1wh7 h ALA 34 N 1.85 -0.58 -0.65 1.53 0.00 -1.22 -2.15 119.26 118.03 1wh7 h ALA 34 Ca 0.43 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1wh7 h ALA 34 Cb 0.68 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1wh7 h ALA 34 CO -0.86 -0.54 -0.39 0.34 0.00 0.00 0.00 179.25 177.80 1wh7 n PHE 35 N -5.16 -0.29 0.05 0.00 7.35 0.11 0.34 117.46 119.86 1wh7 n PHE 35 Ca -0.07 0.82 -0.11 0.00 -0.76 0.00 0.00 57.45 57.32 1wh7 n PHE 35 Cb 0.23 -0.54 -0.05 0.00 0.35 0.00 0.00 39.48 39.48 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 0.10 -0.39 -1.18 3.13 0.00 -0.09 0.13 119.26 120.97 1wh7 h ALA 36 Ca 0.10 -0.00 0.34 0.00 0.00 0.00 0.00 54.91 55.35 1wh7 h ALA 36 Cb 0.27 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1wh7 h ALA 36 CO -0.61 -0.79 0.78 0.93 0.00 0.00 0.00 179.25 179.55 1wh7 h GLU 37 N -0.42 0.22 -0.08 0.00 4.39 0.15 1.83 114.58 120.67 1wh7 h GLU 37 Ca 0.07 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 1wh7 h GLU 37 Cb 0.52 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1wh7 h GLU 37 CO -0.26 0.14 -0.27 0.00 -1.16 0.00 0.00 179.01 177.46 1wh7 h ARG 38 N 0.22 0.32 -0.08 2.33 3.08 0.24 -2.92 114.38 117.57 1wh7 h ARG 38 Ca 0.67 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1wh7 h ARG 38 Cb 2.02 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1wh7 h ARG 38 CO -0.28 0.87 0.00 1.28 -1.07 0.00 0.00 179.97 180.77 1wh7 n LEU 39 N -4.47 0.60 -1.72 3.04 4.77 0.15 -4.86 117.00 114.53 1wh7 n LEU 39 Ca -0.08 -0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 55.47 1wh7 n LEU 39 Cb 0.47 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1wh7 n LEU 39 CO 0.41 0.14 -0.20 0.61 -1.33 0.00 0.00 177.39 177.02 1wh7 n GLY 40 N 0.83 -0.02 2.54 -0.72 0.00 0.55 -0.80 105.19 107.57 1wh7 n GLY 40 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.81 0.00 -4.28 1.61 7.02 0.27 -4.92 117.44 113.33 1wh7 n TRP 41 Ca -0.18 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.09 1wh7 n TRP 41 Cb 0.62 -1.72 -0.13 0.00 -2.42 0.00 0.00 31.31 27.67 1wh7 n TRP 41 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1wh7 s ARG 42 N -2.00 0.94 -0.08 -0.99 3.52 0.02 -4.74 118.95 115.62 1wh7 s ARG 42 Ca 0.00 -0.93 0.04 0.00 -0.13 0.00 0.00 55.73 54.71 1wh7 s ARG 42 Cb 0.00 -1.01 -0.01 0.00 -1.56 0.00 0.00 34.95 32.37 1wh7 s ARG 42 CO 0.00 0.24 -0.21 0.42 -0.81 0.00 0.00 175.30 174.93 1wh7 s ILE 43 N -1.10 2.37 0.17 4.11 1.01 -1.26 -4.58 121.20 121.92 1wh7 s ILE 43 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1wh7 s ILE 43 Cb -0.09 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1wh7 s ILE 43 CO 0.02 0.56 0.06 0.00 0.00 0.00 0.00 174.94 175.58 1wh7 n GLN 44 N 3.15 1.43 0.24 2.79 6.02 -1.26 -4.97 117.38 124.77 1wh7 n GLN 44 Ca -0.18 -1.16 0.15 0.00 -0.01 0.00 0.00 57.00 55.80 1wh7 n GLN 44 Cb 0.52 0.23 0.51 0.00 1.02 0.00 0.00 30.24 32.52 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 0.00 -1.09 2.10 -2.00 -2.42 116.57 113.16 1wh7 h LYS 45 Ca -0.13 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.34 1wh7 h LYS 45 Cb 0.41 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 1wh7 h LYS 45 CO 0.20 0.00 -1.26 1.12 -2.00 0.00 0.00 179.45 177.52 1wh7 h HIS 46 N 0.00 0.00 0.00 0.07 2.07 -2.03 -3.25 115.15 112.01 1wh7 h HIS 46 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wh7 h HIS 46 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 1wh7 h HIS 46 CO 0.00 0.67 -0.02 -0.25 -3.07 0.00 0.00 177.93 175.26 1wh7 n ASP 47 N -3.02 0.79 -0.23 3.10 9.92 -1.00 -3.51 116.55 122.60 1wh7 n ASP 47 Ca -0.08 0.56 0.31 0.00 -0.53 0.00 0.00 54.79 55.05 1wh7 n ASP 47 Cb 0.86 -0.75 0.63 0.00 -0.64 0.00 0.00 41.12 41.22 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wh7 h ASP 48 N 0.00 0.00 0.00 -2.24 1.82 -1.48 0.82 116.42 115.34 1wh7 h ASP 48 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wh7 h ASP 48 Cb 0.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1wh7 h ASP 48 CO 0.00 0.00 -0.05 0.58 -1.61 0.00 0.00 179.24 178.16 1wh7 h VAL 49 N 0.00 0.00 -0.94 2.25 2.07 -1.82 -3.15 116.25 114.66 1wh7 h VAL 49 Ca 0.49 -0.45 0.28 0.00 0.82 0.00 0.00 66.70 67.83 1wh7 h VAL 49 Cb 2.45 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.08 1wh7 h VAL 49 CO -0.01 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.97 1wh7 h ALA 50 N -1.55 1.59 -0.83 1.67 0.00 -1.26 1.38 119.26 120.28 1wh7 h ALA 50 Ca 0.00 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1wh7 h ALA 50 Cb 0.05 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1wh7 h ALA 50 CO 0.00 -0.51 0.47 0.28 0.00 0.00 0.00 179.25 179.49 1wh7 h VAL 51 N 0.26 0.91 -0.17 0.00 2.07 0.44 -0.40 116.25 119.35 1wh7 h VAL 51 Ca 0.64 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 1wh7 h VAL 51 Cb 1.37 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1wh7 h VAL 51 CO -0.64 0.14 -0.12 1.05 0.02 0.00 0.00 177.57 178.02 1wh7 h GLU 52 N 0.79 0.39 -0.53 1.57 4.11 0.18 -0.27 114.58 120.81 1wh7 h GLU 52 Ca 0.40 -0.19 0.11 0.00 0.07 0.00 0.00 59.36 59.75 1wh7 h GLU 52 Cb 0.36 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 1wh7 h GLU 52 CO -0.25 0.73 -0.09 1.96 0.07 0.00 0.00 179.01 181.43 1wh7 h GLN 53 N 0.06 0.04 0.37 1.06 4.20 0.18 0.10 115.11 121.11 1wh7 h GLN 53 Ca 0.03 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1wh7 h GLN 53 Cb 0.63 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1wh7 h GLN 53 CO 0.03 0.02 -0.18 0.35 -0.67 0.00 0.00 178.83 178.39 1wh7 h PHE 54 N 0.04 -0.46 -1.45 2.96 3.04 -1.08 0.90 116.94 120.88 1wh7 h PHE 54 Ca 0.26 -0.01 0.46 0.00 3.98 0.00 0.00 57.97 62.66 1wh7 h PHE 54 Cb 0.40 0.15 -0.10 0.00 2.56 0.00 0.00 35.95 38.96 1wh7 h PHE 54 CO -0.41 -0.29 0.99 0.00 -2.02 0.00 0.00 178.31 176.58 1wh7 h ALA 56 N 1.21 0.00 -0.05 0.00 0.00 -0.67 -1.63 119.26 118.12 1wh7 h ALA 56 Ca 0.81 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1wh7 h ALA 56 Cb 2.88 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.75 1wh7 h ALA 56 CO -0.25 0.08 -0.04 0.93 0.00 0.00 0.00 179.25 179.97 1wh7 h GLU 57 N -0.37 -0.01 0.09 0.00 4.39 0.36 -2.34 114.58 116.70 1wh7 h GLU 57 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wh7 h GLU 57 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1wh7 h GLU 57 CO 0.00 -0.01 -0.04 1.79 -1.16 0.00 0.00 179.01 179.59 1wh7 h THR 58 N -0.01 0.94 0.00 1.13 1.35 -0.28 -3.47 112.91 112.56 1wh7 h THR 58 Ca 0.01 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1wh7 h THR 58 Cb 0.04 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1wh7 h THR 58 CO -0.06 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 1wh7 n GLY 59 N -1.03 1.36 3.88 5.82 0.00 -0.72 -5.01 105.19 109.50 1wh7 n GLY 59 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1wh7 n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wh7 s VAL 60 N -2.00 4.34 -0.13 1.61 -7.23 -0.69 -4.90 120.40 111.40 1wh7 s VAL 60 Ca 0.00 0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 60.66 1wh7 s VAL 60 Cb 0.00 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 1wh7 s VAL 60 CO 0.00 -0.91 0.18 -0.13 -0.31 0.00 0.00 175.10 173.94 1wh7 s ARG 61 N -5.13 3.72 0.13 4.82 1.81 -1.26 -4.05 118.95 118.99 1wh7 s ARG 61 Ca 0.54 -0.07 -0.25 0.00 -1.72 0.00 0.00 55.73 54.23 1wh7 s ARG 61 Cb -0.11 -3.26 -0.06 0.00 -0.45 0.00 0.00 34.95 31.07 1wh7 s ARG 61 CO 0.51 0.62 1.27 -2.13 -0.68 0.00 0.00 175.30 174.89 1wh7 n ARG 62 N 2.42 -0.36 -0.16 3.54 0.00 -1.26 0.12 116.66 120.96 1wh7 n ARG 62 Ca -0.18 1.24 -0.03 0.00 -0.00 0.00 0.00 57.85 58.89 1wh7 n ARG 62 Cb 0.54 -1.83 0.06 0.00 0.00 0.00 0.00 32.46 31.23 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 0.32 -0.24 -0.14 3.07 -1.97 0.69 115.11 116.84 1wh7 h GLN 63 Ca 0.13 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.90 1wh7 h GLN 63 Cb 0.34 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.78 1wh7 h GLN 63 CO -0.77 0.21 -0.05 0.28 0.09 0.00 0.00 178.83 178.60 1wh7 h VAL 64 N 0.33 0.78 0.64 1.86 2.07 0.54 2.09 116.25 124.56 1wh7 h VAL 64 Ca 0.24 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 1wh7 h VAL 64 Cb 0.27 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1wh7 h VAL 64 CO -0.26 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.27 1wh7 h LEU 65 N 0.02 -0.72 -0.05 2.57 5.85 0.17 1.32 115.31 124.47 1wh7 h LEU 65 Ca 0.11 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1wh7 h LEU 65 Cb 0.17 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1wh7 h LEU 65 CO -0.23 -0.47 -0.23 0.50 -0.34 0.00 0.00 178.44 177.67 1wh7 h LYS 66 N -0.93 -0.33 -0.66 1.25 3.64 0.68 0.45 116.57 120.68 1wh7 h LYS 66 Ca -0.09 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1wh7 h LYS 66 Cb 0.68 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1wh7 h LYS 66 CO 0.14 -0.22 0.44 0.82 -2.27 0.00 0.00 179.45 178.36 1wh7 h ILE 67 N -0.34 1.14 -0.18 2.00 2.04 0.35 -0.74 117.51 121.77 1wh7 h ILE 67 Ca 0.07 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1wh7 h ILE 67 Cb 0.44 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1wh7 h ILE 67 CO -0.24 0.15 0.11 -0.25 0.00 0.00 0.00 178.15 177.92 1wh7 h TRP 68 N 0.85 0.24 -0.20 1.37 7.01 0.36 0.64 115.95 126.22 1wh7 h TRP 68 Ca 0.25 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.28 1wh7 h TRP 68 Cb -0.03 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 1wh7 h TRP 68 CO -0.00 0.20 -0.01 0.52 -2.79 0.00 0.00 178.44 176.36 1wh7 h MET 69 N 0.21 0.05 0.00 2.65 2.86 0.97 0.31 114.93 121.98 1wh7 h MET 69 Ca 0.06 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1wh7 h MET 69 Cb 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1wh7 h MET 69 CO -0.01 0.03 -0.05 1.25 1.06 0.00 0.00 176.91 179.19 1wh7 h HIS 70 N 0.05 0.00 -0.54 -0.22 -0.00 -0.89 0.11 115.15 113.66 1wh7 h HIS 70 Ca 0.10 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.25 1wh7 h HIS 70 Cb 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.41 1wh7 h HIS 70 CO -0.19 0.05 0.27 0.09 -0.00 0.00 0.00 177.93 178.15 1wh7 n ASN 71 N -3.58 3.66 0.07 3.26 3.02 0.19 -3.73 115.26 118.14 1wh7 n ASN 71 Ca -0.02 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1wh7 n ASN 71 Cb 0.15 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 -0.21 -0.27 -0.34 6.41 3.02 0.19 -4.87 115.26 119.20 1wh7 n ASN 72 Ca 0.31 0.23 0.25 0.00 -0.03 0.00 0.00 54.58 55.34 1wh7 n ASN 72 Cb 1.11 0.38 0.50 0.00 -0.61 0.00 0.00 39.78 41.15 1wh7 n ASN 72 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1wh7 h LYS 73 N 0.00 0.27 -6.35 3.52 2.10 -1.20 -3.32 116.57 111.59 1wh7 h LYS 73 Ca 0.00 -0.02 -0.55 0.00 -2.00 0.00 0.00 60.65 58.08 1wh7 h LYS 73 Cb 0.00 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 1wh7 h LYS 73 CO 0.00 0.18 1.17 -0.80 -2.00 0.00 0.00 179.45 178.00 1wh7 s ASN 74 N -4.85 6.00 -0.01 7.07 0.01 -1.24 -4.85 114.94 117.08 1wh7 s ASN 74 Ca -0.10 0.65 -0.04 0.00 -0.71 0.00 0.00 52.86 52.66 1wh7 s ASN 74 Cb 0.31 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.44 1wh7 s ASN 74 CO 0.79 -1.74 0.19 -1.20 -1.51 0.00 0.00 177.10 173.63 1wh7 n SER 75 N 10.00 -0.17 0.00 -1.22 7.64 -1.25 -4.93 113.62 123.70 1wh7 n SER 75 Ca 0.17 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1wh7 n SER 75 Cb 0.49 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.13 3.92 2.91 0.23 0.00 -1.26 -4.93 105.19 105.92 1wh7 n GLY 76 Ca 0.01 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.52 2.16 0.28 1.61 -0.04 -1.26 -4.66 135.00 131.57 1wh7 n PRO 77 Ca 0.00 -2.18 -0.13 0.00 -0.04 0.00 0.00 63.50 61.14 1wh7 n PRO 77 Cb 0.00 -3.07 -0.07 0.00 -0.04 0.00 0.00 33.50 30.32 1wh7 n PRO 77 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wh7 h SER 78 N 6.95 -0.63 -3.05 3.54 0.02 -2.06 -3.47 113.55 114.86 1wh7 h SER 78 Ca 0.50 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.54 1wh7 h SER 78 Cb 0.64 0.16 -0.28 0.00 0.14 0.00 0.00 62.40 63.06 1wh7 h SER 78 CO 1.92 -0.24 0.64 -0.55 -1.14 0.00 0.00 176.83 177.46 1wh7 s SER 79 N -4.71 -0.28 0.00 3.07 0.15 -1.26 -5.32 113.70 105.35 1wh7 s SER 79 Ca -0.13 0.48 0.11 0.00 0.70 0.00 0.00 55.95 57.11 1wh7 s SER 79 Cb 0.01 0.47 0.09 0.00 -1.71 0.00 0.00 66.02 64.88 1wh7 s SER 79 CO 0.42 -0.13 0.85 0.61 1.20 0.00 0.00 173.24 176.19