#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 0.00 -0.81 1.61 7.64 -1.26 -4.88 113.62 115.92 1wh7 n SER 2 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1wh7 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1wh7 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wh7 n SER 3 N 1.74 -4.84 -4.59 6.43 3.41 -1.26 -4.63 113.62 109.88 1wh7 n SER 3 Ca 0.00 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 1wh7 n SER 3 Cb 0.00 -2.63 -0.03 0.00 -0.26 0.00 0.00 64.21 61.29 1wh7 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wh7 s GLY 4 N -6.23 0.36 0.00 5.00 0.00 -1.26 -4.51 107.32 100.67 1wh7 s GLY 4 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1wh7 s GLY 4 CO 0.00 3.86 0.00 -1.14 0.00 0.00 0.00 173.10 175.82 1wh7 n SER 5 N 12.38 0.00 -4.35 1.64 3.41 -1.26 -5.13 113.62 120.31 1wh7 n SER 5 Ca 0.31 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.68 1wh7 n SER 5 Cb 0.47 0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 64.44 1wh7 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh7 s SER 6 N -3.72 2.90 0.00 4.04 0.15 -1.26 -4.94 113.70 110.87 1wh7 s SER 6 Ca 0.00 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1wh7 s SER 6 Cb 0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1wh7 s SER 6 CO 0.00 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1wh7 n GLY 7 N 0.45 0.20 2.48 9.45 0.00 -1.26 -5.02 105.19 111.49 1wh7 n GLY 7 Ca -0.14 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.49 2.91 -0.03 1.61 0.15 -1.26 -5.11 113.70 109.49 1wh7 s SER 8 Ca 0.00 -2.30 0.03 0.00 0.70 0.00 0.00 55.95 54.38 1wh7 s SER 8 Cb 0.00 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1wh7 s SER 8 CO 0.00 -0.29 -0.10 0.20 1.20 0.00 0.00 173.24 174.25 1wh7 s ASN 9 N 0.92 1.26 1.03 5.45 -0.87 -1.26 -5.15 114.94 116.33 1wh7 s ASN 9 Ca 0.19 -0.20 -0.16 0.00 -1.57 0.00 0.00 52.86 51.12 1wh7 s ASN 9 Cb -0.21 -0.32 0.21 0.00 -0.02 0.00 0.00 41.25 40.91 1wh7 s ASN 9 CO -0.01 0.07 1.19 -2.16 -2.57 0.00 0.00 177.10 173.63 1wh7 s PRO 10 N 0.15 0.12 0.09 -0.60 0.04 -1.26 -4.98 135.00 128.57 1wh7 s PRO 10 Ca -0.03 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.64 1wh7 s PRO 10 Cb -0.08 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.57 1wh7 s PRO 10 CO 0.00 -2.82 1.65 0.66 0.04 0.00 0.00 177.00 176.54 1wh7 h SER 11 N -1.94 -0.61 -3.88 6.66 4.64 -2.03 -3.49 113.55 112.91 1wh7 h SER 11 Ca -0.46 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1wh7 h SER 11 Cb 1.28 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 1wh7 h SER 11 CO 0.43 -0.35 -0.75 -0.24 -0.87 0.00 0.00 176.83 175.06 1wh7 n SER 12 N -5.36 -6.37 -0.09 4.97 2.88 -1.26 -4.94 113.62 103.45 1wh7 n SER 12 Ca -0.09 1.40 -0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1wh7 n SER 12 Cb 0.27 -3.61 -0.04 0.00 -0.75 0.00 0.00 64.21 60.08 1wh7 n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wh7 n SER 13 N -2.43 1.90 0.00 -3.46 3.41 -1.26 -5.05 113.62 106.73 1wh7 n SER 13 Ca -0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1wh7 n SER 13 Cb 0.38 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1wh7 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh7 n GLY 14 N 1.47 1.68 0.00 5.00 0.00 -1.26 -5.13 105.19 106.95 1wh7 n GLY 14 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 3.17 1.16 3.86 -0.02 0.00 -1.26 -5.03 105.19 107.07 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 -1.08 0.00 0.00 0.00 173.32 172.24 1wh7 s THR 16 N 0.67 3.83 -0.30 2.61 -1.32 -1.26 -5.02 115.64 114.85 1wh7 s THR 16 Ca 0.00 0.59 -0.12 0.00 -1.21 0.00 0.00 61.69 60.96 1wh7 s THR 16 Cb 0.00 -3.51 0.18 0.00 -1.51 0.00 0.00 72.50 67.66 1wh7 s THR 16 CO 0.00 -0.78 1.00 -0.89 -2.21 0.00 0.00 174.62 171.74 1wh7 s THR 17 N -3.23 -0.40 0.05 5.08 2.01 -1.26 -4.92 115.64 112.97 1wh7 s THR 17 Ca 0.58 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1wh7 s THR 17 Cb -0.12 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1wh7 s THR 17 CO 0.53 0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.75 1wh7 n LYS 18 N 5.47 -0.46 -2.38 4.92 5.02 -1.26 -4.96 118.16 124.50 1wh7 n LYS 18 Ca -0.06 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.52 1wh7 n LYS 18 Cb 0.53 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1wh7 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wh7 n ARG 19 N -1.31 -2.31 -5.12 1.97 1.74 -1.26 -5.04 116.66 105.33 1wh7 n ARG 19 Ca 0.00 2.02 -0.32 0.00 -0.77 0.00 0.00 57.85 58.78 1wh7 n ARG 19 Cb 0.10 -4.21 -0.16 0.00 -1.02 0.00 0.00 32.46 27.18 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 -1.40 2.55 -0.42 -1.55 0.08 -1.26 -5.06 117.98 110.93 1wh7 s PHE 20 Ca 0.04 -0.64 -0.28 0.00 0.12 0.00 0.00 56.93 56.17 1wh7 s PHE 20 Cb -0.01 -1.65 -0.08 0.00 -0.57 0.00 0.00 43.02 40.71 1wh7 s PHE 20 CO 0.56 -0.17 2.35 0.54 -0.10 0.00 0.00 175.22 178.40 1wh7 n ARG 21 N 2.98 1.28 -3.22 0.44 1.74 -1.26 -4.92 116.66 113.69 1wh7 n ARG 21 Ca -0.18 0.21 -0.35 0.00 -0.77 0.00 0.00 57.85 56.76 1wh7 n ARG 21 Cb 0.52 -3.13 -0.06 0.00 -1.02 0.00 0.00 32.46 28.77 1wh7 n ARG 21 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wh7 s THR 22 N 10.15 4.72 -0.13 0.55 -4.23 -1.26 -5.07 115.64 120.36 1wh7 s THR 22 Ca 1.03 0.98 0.01 0.00 -1.18 0.00 0.00 61.69 62.53 1wh7 s THR 22 Cb -0.38 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 69.73 1wh7 s THR 22 CO 0.33 0.11 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.64 1wh7 s LYS 23 N -2.25 2.19 0.38 3.99 2.47 -1.26 -5.13 119.74 120.12 1wh7 s LYS 23 Ca 0.44 -0.52 0.05 0.00 -1.56 0.00 0.00 55.97 54.37 1wh7 s LYS 23 Cb -0.14 -1.98 -0.06 0.00 -1.46 0.00 0.00 37.83 34.18 1wh7 s LYS 23 CO 0.20 -0.19 0.04 -0.06 0.16 0.00 0.00 175.35 175.50 1wh7 s PHE 24 N 1.36 2.16 0.06 4.03 0.08 -1.26 -5.15 117.98 119.26 1wh7 s PHE 24 Ca 0.01 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 1wh7 s PHE 24 Cb -0.13 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1wh7 s PHE 24 CO -0.08 0.18 0.22 -0.08 -0.10 0.00 0.00 175.22 175.36 1wh7 s THR 25 N -3.03 5.38 0.19 0.64 -1.32 -1.26 -4.98 115.64 111.26 1wh7 s THR 25 Ca 0.32 -0.34 -0.23 0.00 -1.21 0.00 0.00 61.69 60.23 1wh7 s THR 25 Cb 0.08 -3.62 0.09 0.00 -1.51 0.00 0.00 72.50 67.54 1wh7 s THR 25 CO 0.15 0.15 1.51 0.00 -2.21 0.00 0.00 174.62 174.22 1wh7 n ALA 26 N 0.32 -0.36 -0.36 11.08 0.00 -1.26 0.20 120.51 130.13 1wh7 n ALA 26 Ca -0.05 0.90 -0.05 0.00 0.00 0.00 0.00 53.44 54.24 1wh7 n ALA 26 Cb 0.51 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.65 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 -5.33 -0.30 -0.02 0.00 2.13 -1.26 0.08 120.64 115.93 1wh7 n GLU 27 Ca 0.06 1.38 -0.13 0.00 0.66 0.00 0.00 57.16 59.14 1wh7 n GLU 27 Cb 0.33 -2.04 -0.07 0.00 0.27 0.00 0.00 31.44 29.92 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 -0.47 -0.40 5.31 4.20 -0.64 1.10 115.11 124.22 1wh7 h GLN 28 Ca 0.24 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.06 1wh7 h GLN 28 Cb 0.46 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.26 1wh7 h GLN 28 CO -0.88 -0.31 -0.20 0.87 -0.67 0.00 0.00 178.83 177.64 1wh7 h LYS 29 N -0.49 -0.13 0.29 1.46 6.56 0.11 0.73 116.57 125.11 1wh7 h LYS 29 Ca 0.08 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1wh7 h LYS 29 Cb 0.63 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 1wh7 h LYS 29 CO -0.44 -0.08 -0.27 0.93 -2.06 0.00 0.00 179.45 177.53 1wh7 h GLU 30 N -0.13 -0.56 -0.34 3.15 5.08 0.89 0.91 114.58 123.58 1wh7 h GLU 30 Ca 0.20 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1wh7 h GLU 30 Cb 0.43 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1wh7 h GLU 30 CO -0.48 -0.37 -0.18 0.87 -1.00 0.00 0.00 179.01 177.85 1wh7 h LYS 31 N -0.58 -0.12 -0.14 2.33 6.56 0.21 -1.40 116.57 123.43 1wh7 h LYS 31 Ca -0.01 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wh7 h LYS 31 Cb 0.53 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 1wh7 h LYS 31 CO -0.04 -0.08 0.09 0.52 -2.06 0.00 0.00 179.45 177.88 1wh7 h MET 32 N -0.12 0.19 -0.86 3.15 2.86 0.82 0.99 114.93 121.94 1wh7 h MET 32 Ca 0.17 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 58.02 1wh7 h MET 32 Cb 0.39 -0.04 -0.15 0.00 0.06 0.00 0.00 31.60 31.86 1wh7 h MET 32 CO -0.42 0.13 0.07 -0.07 1.06 0.00 0.00 176.91 177.68 1wh7 h LEU 33 N 0.19 -0.30 0.05 1.22 -0.00 0.18 0.67 115.31 117.31 1wh7 h LEU 33 Ca 0.05 0.22 -0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1wh7 h LEU 33 Cb -0.02 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1wh7 h LEU 33 CO -0.01 -0.23 -0.02 0.00 -0.00 0.00 0.00 178.44 178.18 1wh7 h ALA 34 N 1.81 -0.06 -0.89 1.53 0.00 -0.80 -2.90 119.26 117.95 1wh7 h ALA 34 Ca 0.51 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.46 1wh7 h ALA 34 Cb 0.98 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.64 1wh7 h ALA 34 CO -0.75 -0.06 -0.30 0.34 0.00 0.00 0.00 179.25 178.48 1wh7 n PHE 35 N -4.79 0.14 0.13 0.00 7.35 0.34 0.79 117.46 121.43 1wh7 n PHE 35 Ca -0.03 1.09 -0.14 0.00 -0.76 0.00 0.00 57.45 57.62 1wh7 n PHE 35 Cb 0.12 -0.91 -0.08 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 1.45 -0.26 -1.18 3.13 0.00 0.19 -0.82 119.26 121.77 1wh7 h ALA 36 Ca 0.36 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.54 1wh7 h ALA 36 Cb 0.58 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1wh7 h ALA 36 CO -0.90 -0.64 0.84 0.93 0.00 0.00 0.00 179.25 179.49 1wh7 h GLU 37 N -0.27 0.04 0.05 0.00 4.39 0.61 1.68 114.58 121.08 1wh7 h GLU 37 Ca -0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wh7 h GLU 37 Cb 0.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1wh7 h GLU 37 CO 0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 179.01 177.89 1wh7 h ARG 38 N 0.04 -0.07 0.00 2.33 3.08 0.32 -3.17 114.38 116.91 1wh7 h ARG 38 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 1wh7 h ARG 38 Cb 2.21 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.27 1wh7 h ARG 38 CO -0.04 0.54 0.00 1.28 -1.07 0.00 0.00 179.97 180.68 1wh7 n LEU 39 N -4.77 0.00 -0.02 3.04 4.77 0.24 -4.83 117.00 115.43 1wh7 n LEU 39 Ca -0.08 0.47 -0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1wh7 n LEU 39 Cb 0.31 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1wh7 n LEU 39 CO 0.26 -0.23 -0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1wh7 n GLY 40 N 0.04 0.37 2.28 -0.72 0.00 0.53 -3.07 105.19 104.62 1wh7 n GLY 40 Ca 0.04 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.64 -0.64 -3.82 1.61 7.02 0.12 -4.95 117.44 113.15 1wh7 n TRP 41 Ca -0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1wh7 n TRP 41 Cb 0.32 -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 -4.63 0.37 -0.18 -0.99 1.70 -1.18 -4.78 118.95 109.27 1wh7 s ARG 42 Ca 0.00 0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.30 1wh7 s ARG 42 Cb 0.00 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1wh7 s ARG 42 CO 0.00 -0.07 -0.20 0.42 -1.08 0.00 0.00 175.30 174.36 1wh7 s ILE 43 N -0.52 2.06 0.23 4.99 1.01 -1.26 -4.67 121.20 123.03 1wh7 s ILE 43 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1wh7 s ILE 43 Cb -0.04 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1wh7 s ILE 43 CO 0.01 0.54 0.03 0.00 0.00 0.00 0.00 174.94 175.52 1wh7 n GLN 44 N 4.56 1.41 -0.17 2.79 6.02 -1.26 -4.95 117.38 125.77 1wh7 n GLN 44 Ca -0.21 -1.61 0.03 0.00 -0.01 0.00 0.00 57.00 55.20 1wh7 n GLN 44 Cb 0.50 0.39 0.31 0.00 1.02 0.00 0.00 30.24 32.46 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 0.84 0.00 -1.09 -0.00 -2.02 0.77 116.57 115.07 1wh7 h LYS 45 Ca -0.18 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.65 60.35 1wh7 h LYS 45 Cb 0.56 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.23 32.59 1wh7 h LYS 45 CO 0.30 0.55 -0.33 1.12 -0.00 0.00 0.00 179.45 181.09 1wh7 h HIS 46 N 0.86 0.00 -1.32 0.07 2.07 -2.02 -2.98 115.15 111.84 1wh7 h HIS 46 Ca 0.27 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 57.15 1wh7 h HIS 46 Cb 0.01 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 29.80 1wh7 h HIS 46 CO -0.00 0.33 1.13 -0.25 -3.07 0.00 0.00 177.93 176.07 1wh7 n ASP 47 N -4.13 7.15 -0.04 3.10 8.00 0.26 -4.47 116.55 126.43 1wh7 n ASP 47 Ca -0.02 -3.31 -0.04 0.00 0.71 0.00 0.00 54.79 52.13 1wh7 n ASP 47 Cb 0.37 -1.24 -0.01 0.00 -0.02 0.00 0.00 41.12 40.22 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wh7 n ASP 48 N 0.86 0.99 -0.06 -2.24 -0.08 -1.13 -4.01 116.55 110.87 1wh7 n ASP 48 Ca 0.53 0.30 -0.11 0.00 -1.51 0.00 0.00 54.79 54.01 1wh7 n ASP 48 Cb 0.39 -0.66 -0.05 0.00 2.34 0.00 0.00 41.12 43.15 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1wh7 h VAL 49 N -0.53 1.21 -1.15 5.18 2.07 -1.86 -1.54 116.25 119.64 1wh7 h VAL 49 Ca 0.00 -0.66 0.32 0.00 0.82 0.00 0.00 66.70 67.18 1wh7 h VAL 49 Cb 0.41 1.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1wh7 h VAL 49 CO 0.00 0.21 0.78 0.00 0.02 0.00 0.00 177.57 178.58 1wh7 h ALA 50 N 0.86 2.68 -0.00 1.67 0.00 -1.82 1.62 119.26 124.27 1wh7 h ALA 50 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wh7 h ALA 50 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wh7 h ALA 50 CO 0.00 -1.09 -0.05 0.28 0.00 0.00 0.00 179.25 178.39 1wh7 h VAL 51 N 0.19 1.60 -0.78 0.00 2.07 -1.53 -2.44 116.25 115.36 1wh7 h VAL 51 Ca 0.62 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1wh7 h VAL 51 Cb 1.98 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 34.54 1wh7 h VAL 51 CO -0.19 0.48 0.47 1.05 0.02 0.00 0.00 177.57 179.41 1wh7 h GLU 52 N -0.71 1.05 -0.83 1.57 4.11 0.66 -1.24 114.58 119.18 1wh7 h GLU 52 Ca -0.01 -0.09 0.01 0.00 0.07 0.00 0.00 59.36 59.34 1wh7 h GLU 52 Cb 0.82 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1wh7 h GLU 52 CO 0.01 0.74 0.54 1.96 0.07 0.00 0.00 179.01 182.33 1wh7 h GLN 53 N 1.06 1.11 -0.16 1.06 4.20 0.21 0.99 115.11 123.57 1wh7 h GLN 53 Ca 0.28 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1wh7 h GLN 53 Cb -0.05 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1wh7 h GLN 53 CO -0.05 0.74 0.07 0.35 -0.67 0.00 0.00 178.83 179.27 1wh7 h PHE 54 N 1.14 0.23 -0.22 2.96 3.57 -0.89 -2.59 116.94 121.13 1wh7 h PHE 54 Ca 0.30 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1wh7 h PHE 54 Cb -0.11 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1wh7 h PHE 54 CO -0.01 0.28 0.12 0.00 -2.23 0.00 0.00 178.31 176.47 1wh7 h ALA 56 N 1.10 2.64 -1.10 0.00 0.00 -0.59 1.50 119.26 122.81 1wh7 h ALA 56 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wh7 h ALA 56 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wh7 h ALA 56 CO -0.05 -1.15 0.00 -1.91 0.00 0.00 0.00 179.25 176.14 1wh7 n GLU 57 N -3.80 0.00 0.23 0.00 2.13 0.14 -4.72 120.64 114.63 1wh7 n GLU 57 Ca 0.17 0.13 -0.14 0.00 0.66 0.00 0.00 57.16 57.98 1wh7 n GLU 57 Cb 1.01 -0.53 -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 0.50 0.00 6.31 1.35 -0.08 -3.48 112.91 117.50 1wh7 h THR 58 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1wh7 h THR 58 Cb 0.00 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 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 -0.64 1.32 3.74 5.82 0.00 0.51 -5.01 105.19 110.93 1wh7 n GLY 59 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 3.79 0.08 1.61 1.01 -1.26 -4.97 120.40 118.66 1wh7 s VAL 60 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 1wh7 s VAL 60 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1wh7 s VAL 60 CO 0.00 0.29 1.06 -0.13 0.00 0.00 0.00 175.10 176.31 1wh7 s ARG 61 N -0.52 4.57 0.28 2.72 0.52 -1.26 -4.40 118.95 120.85 1wh7 s ARG 61 Ca 0.49 1.58 -0.02 0.00 -0.52 0.00 0.00 55.73 57.26 1wh7 s ARG 61 Cb -0.30 -3.37 0.59 0.00 0.52 0.00 0.00 34.95 32.39 1wh7 s ARG 61 CO 0.36 -0.01 1.47 -2.13 0.02 0.00 0.00 175.30 175.00 1wh7 n ARG 62 N 3.30 -0.08 -0.15 3.54 0.63 -1.26 0.19 116.66 122.82 1wh7 n ARG 62 Ca 0.05 1.43 -0.08 0.00 -0.92 0.00 0.00 57.85 58.34 1wh7 n ARG 62 Cb 0.48 -2.21 0.01 0.00 0.45 0.00 0.00 32.46 31.19 1wh7 n ARG 62 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1wh7 h GLN 63 N 0.00 0.60 -0.17 -0.14 3.07 -1.98 1.48 115.11 117.98 1wh7 h GLN 63 Ca 0.51 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 59.19 1wh7 h GLN 63 Cb 0.95 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 1wh7 h GLN 63 CO -0.92 0.41 -0.00 0.28 0.09 0.00 0.00 178.83 178.68 1wh7 h VAL 64 N 0.62 1.26 0.42 1.86 2.07 0.16 0.12 116.25 122.76 1wh7 h VAL 64 Ca 0.17 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1wh7 h VAL 64 Cb -0.06 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1wh7 h VAL 64 CO -0.04 0.26 -0.20 0.25 0.02 0.00 0.00 177.57 177.86 1wh7 h LEU 65 N 0.05 -0.48 -0.21 2.57 5.85 0.20 1.58 115.31 124.88 1wh7 h LEU 65 Ca 0.05 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1wh7 h LEU 65 Cb 0.39 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1wh7 h LEU 65 CO 0.01 -0.27 -0.28 0.50 -0.34 0.00 0.00 178.44 178.05 1wh7 h LYS 66 N -0.65 -0.30 -0.69 1.25 3.11 0.21 0.26 116.57 119.75 1wh7 h LYS 66 Ca -0.06 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1wh7 h LYS 66 Cb 0.48 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 1wh7 h LYS 66 CO 0.09 -0.20 0.34 0.82 -2.81 0.00 0.00 179.45 177.69 1wh7 h ILE 67 N -0.31 1.23 -0.17 2.00 2.04 -0.63 -1.62 117.51 120.05 1wh7 h ILE 67 Ca 0.12 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1wh7 h ILE 67 Cb 0.50 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 1wh7 h ILE 67 CO -0.38 0.26 -0.42 -0.25 0.00 0.00 0.00 178.15 177.37 1wh7 h TRP 68 N 0.96 -1.19 -0.40 1.37 7.01 0.39 0.31 115.95 124.40 1wh7 h TRP 68 Ca 0.24 0.05 0.07 0.00 2.11 0.00 0.00 58.89 61.36 1wh7 h TRP 68 Cb 0.11 0.55 -0.07 0.00 -2.10 0.00 0.00 29.16 27.65 1wh7 h TRP 68 CO 0.00 -0.47 -0.01 0.52 -2.79 0.00 0.00 178.44 175.70 1wh7 h MET 69 N -0.46 0.09 0.00 2.65 2.86 -0.25 0.43 114.93 120.25 1wh7 h MET 69 Ca 0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1wh7 h MET 69 Cb 0.62 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1wh7 h MET 69 CO -0.42 0.06 0.04 1.25 1.06 0.00 0.00 176.91 178.90 1wh7 h HIS 70 N 0.09 0.00 -0.78 -0.22 -0.00 -0.20 0.47 115.15 114.52 1wh7 h HIS 70 Ca 0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.28 1wh7 h HIS 70 Cb 0.28 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 27.52 1wh7 h HIS 70 CO -0.28 0.00 0.37 0.09 -0.00 0.00 0.00 177.93 178.11 1wh7 n ASN 71 N -3.06 4.43 0.08 3.26 3.02 0.15 -4.37 115.26 118.78 1wh7 n ASN 71 Ca -0.03 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 1wh7 n ASN 71 Cb 0.10 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 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 -0.38 -0.07 -4.62 6.41 3.02 0.15 -5.00 115.26 114.76 1wh7 n ASN 72 Ca 0.44 0.28 -0.47 0.00 -0.03 0.00 0.00 54.58 54.80 1wh7 n ASN 72 Cb 1.42 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 40.78 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 -3.09 1.56 -1.52 3.52 2.85 -0.06 -4.54 118.16 116.89 1wh7 n LYS 73 Ca 0.00 0.56 0.11 0.00 -1.05 0.00 0.00 58.31 57.93 1wh7 n LYS 73 Cb 0.01 -2.13 -0.06 0.00 -0.65 0.00 0.00 35.03 32.20 1wh7 n LYS 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wh7 n ASN 74 N 2.13 -8.10 0.00 -5.58 3.02 -1.26 -4.88 115.26 100.59 1wh7 n ASN 74 Ca 0.14 1.63 0.00 0.00 -0.03 0.00 0.00 54.58 56.32 1wh7 n ASN 74 Cb 0.27 -5.09 0.00 0.00 -0.61 0.00 0.00 39.78 34.36 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 -3.73 0.00 -4.13 6.41 2.88 -1.26 -5.01 113.62 108.77 1wh7 n SER 75 Ca -0.06 0.28 -0.14 0.00 -1.33 0.00 0.00 58.87 57.62 1wh7 n SER 75 Cb 0.61 -0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 1wh7 n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh7 s GLY 76 N -1.73 0.71 -1.09 0.46 0.00 -1.26 -5.02 107.32 99.38 1wh7 s GLY 76 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.52 1wh7 s GLY 76 CO 0.00 -1.08 2.08 -1.55 0.00 0.00 0.00 173.10 172.55 1wh7 n PRO 77 N 0.95 2.14 -3.71 2.90 -0.04 -1.26 -4.84 135.00 131.14 1wh7 n PRO 77 Ca -0.19 -2.18 -0.38 0.00 -0.04 0.00 0.00 63.50 60.71 1wh7 n PRO 77 Cb 0.56 -3.08 -0.11 0.00 -0.04 0.00 0.00 33.50 30.84 1wh7 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh7 s SER 78 N 4.14 5.38 0.11 3.54 0.15 -1.26 -5.08 113.70 120.68 1wh7 s SER 78 Ca 0.53 -1.86 -0.15 0.00 0.70 0.00 0.00 55.95 55.17 1wh7 s SER 78 Cb 0.14 -1.88 -0.07 0.00 -1.71 0.00 0.00 66.02 62.50 1wh7 s SER 78 CO 0.02 -0.55 0.53 -0.55 1.20 0.00 0.00 173.24 173.89 1wh7 s SER 79 N 2.00 6.86 0.00 5.45 0.15 -1.26 -5.19 113.70 121.72 1wh7 s SER 79 Ca 0.06 1.09 0.20 0.00 0.70 0.00 0.00 55.95 58.00 1wh7 s SER 79 Cb -0.23 -2.29 0.16 0.00 -1.71 0.00 0.00 66.02 61.95 1wh7 s SER 79 CO -0.02 0.17 1.15 0.61 1.20 0.00 0.00 173.24 176.34