#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 -0.59 0.20 1.61 1.04 -1.26 -5.18 113.70 109.52 1wh7 s SER 2 Ca 0.00 0.99 -0.14 0.00 0.48 0.00 0.00 55.95 57.28 1wh7 s SER 2 Cb 0.00 1.18 0.01 0.00 0.10 0.00 0.00 66.02 67.31 1wh7 s SER 2 CO 0.00 -0.16 0.45 -0.44 0.98 0.00 0.00 173.24 174.07 1wh7 s SER 3 N 1.11 -0.13 0.00 7.02 0.01 -1.26 -5.16 113.70 115.28 1wh7 s SER 3 Ca -0.06 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1wh7 s SER 3 Cb -0.04 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1wh7 s SER 3 CO -0.13 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.08 1wh7 n GLY 4 N -0.32 4.29 3.94 3.44 0.00 -1.26 -5.14 105.19 110.15 1wh7 n GLY 4 Ca -0.07 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 1wh7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 s SER 5 N 0.00 5.27 -0.17 1.61 0.01 -1.26 -5.11 113.70 114.05 1wh7 s SER 5 Ca 0.00 0.39 -0.15 0.00 1.31 0.00 0.00 55.95 57.50 1wh7 s SER 5 Cb 0.00 -1.26 0.04 0.00 0.21 0.00 0.00 66.02 65.01 1wh7 s SER 5 CO 0.00 -1.23 0.45 -0.44 0.41 0.00 0.00 173.24 172.43 1wh7 s SER 6 N -4.40 -0.47 -0.31 2.44 0.01 -1.26 -5.14 113.70 104.57 1wh7 s SER 6 Ca 0.56 0.90 -0.17 0.00 1.31 0.00 0.00 55.95 58.56 1wh7 s SER 6 Cb -0.10 0.91 -0.02 0.00 0.21 0.00 0.00 66.02 67.02 1wh7 s SER 6 CO 0.42 -0.16 0.44 -0.83 0.41 0.00 0.00 173.24 173.53 1wh7 s GLY 7 N 0.31 1.86 -0.04 3.44 0.00 -1.26 -4.74 107.32 106.88 1wh7 s GLY 7 Ca -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 1wh7 s GLY 7 CO -0.00 1.13 0.07 1.44 0.00 0.00 0.00 173.10 175.73 1wh7 n SER 8 N 5.52 -6.18 -4.08 1.64 7.64 -1.26 -4.95 113.62 111.95 1wh7 n SER 8 Ca -0.07 1.63 -0.35 0.00 1.01 0.00 0.00 58.87 61.09 1wh7 n SER 8 Cb 0.50 -4.75 -0.12 0.00 -1.01 0.00 0.00 64.21 58.83 1wh7 n SER 8 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1wh7 s ASN 9 N -0.54 5.10 -0.29 6.43 3.84 -1.26 -5.06 114.94 123.16 1wh7 s ASN 9 Ca -0.08 -2.29 -0.29 0.00 0.21 0.00 0.00 52.86 50.41 1wh7 s ASN 9 Cb 0.01 -1.78 -0.00 0.00 -0.55 0.00 0.00 41.25 38.92 1wh7 s ASN 9 CO 0.21 -0.46 1.34 -2.16 -2.79 0.00 0.00 177.10 173.24 1wh7 s PRO 10 N 0.76 3.91 0.75 0.43 0.04 -1.26 -4.98 135.00 134.64 1wh7 s PRO 10 Ca 0.11 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 1wh7 s PRO 10 Cb -0.22 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 1wh7 s PRO 10 CO -0.04 -1.13 0.64 0.43 0.04 0.00 0.00 177.00 176.93 1wh7 n SER 11 N 7.71 -0.84 -3.12 6.66 7.64 -1.26 -5.00 113.62 125.40 1wh7 n SER 11 Ca 0.15 0.58 0.03 0.00 1.01 0.00 0.00 58.87 60.64 1wh7 n SER 11 Cb 0.46 -1.27 -0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1wh7 n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh7 s SER 12 N -1.59 -1.24 0.13 6.43 0.01 -1.26 -5.04 113.70 111.14 1wh7 s SER 12 Ca 0.67 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1wh7 s SER 12 Cb -0.33 1.68 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1wh7 s SER 12 CO 0.57 -0.19 0.00 -0.24 0.41 0.00 0.00 173.24 173.79 1wh7 n SER 13 N 4.83 0.79 -0.02 2.44 2.88 -1.26 -4.95 113.62 118.34 1wh7 n SER 13 Ca 0.08 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1wh7 n SER 13 Cb 0.57 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1wh7 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 14 N 3.07 1.02 0.00 0.46 0.00 -1.26 -5.16 105.19 103.32 1wh7 n GLY 14 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 2.92 4.12 3.62 -0.02 0.00 -1.26 -5.17 105.19 109.41 1wh7 n GLY 15 Ca 0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.88 -0.23 2.61 -1.32 -1.26 -5.14 115.64 113.18 1wh7 s THR 16 Ca 0.00 -1.98 -0.29 0.00 -1.21 0.00 0.00 61.69 58.21 1wh7 s THR 16 Cb 0.00 -2.77 0.16 0.00 -1.51 0.00 0.00 72.50 68.38 1wh7 s THR 16 CO 0.00 -0.27 1.18 -0.89 -2.21 0.00 0.00 174.62 172.43 1wh7 s THR 17 N -2.45 0.00 -0.43 5.08 2.01 -1.26 -5.10 115.64 113.49 1wh7 s THR 17 Ca 0.34 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.99 1wh7 s THR 17 Cb -0.03 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.36 1wh7 s THR 17 CO 0.19 0.00 2.26 2.29 -0.69 0.00 0.00 174.62 178.67 1wh7 n LYS 18 N 0.82 0.91 -3.81 4.92 2.85 -1.26 -4.90 118.16 117.69 1wh7 n LYS 18 Ca -0.06 0.22 -0.13 0.00 -1.05 0.00 0.00 58.31 57.29 1wh7 n LYS 18 Cb 0.58 -2.41 -0.14 0.00 -0.65 0.00 0.00 35.03 32.41 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 6.66 0.05 0.36 -1.58 0.52 -1.26 -5.15 118.95 118.55 1wh7 s ARG 19 Ca 1.11 0.16 -0.21 0.00 -0.52 0.00 0.00 55.73 56.27 1wh7 s ARG 19 Cb -0.86 -0.07 -0.10 0.00 0.52 0.00 0.00 34.95 34.44 1wh7 s ARG 19 CO 0.48 -0.07 0.89 -0.06 0.02 0.00 0.00 175.30 176.56 1wh7 s PHE 20 N 0.47 3.47 -0.21 -0.53 0.08 -1.26 -5.05 117.98 114.95 1wh7 s PHE 20 Ca -0.04 1.58 -0.08 0.00 0.12 0.00 0.00 56.93 58.52 1wh7 s PHE 20 Cb -0.05 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1wh7 s PHE 20 CO -0.02 0.06 0.08 0.50 -0.10 0.00 0.00 175.22 175.75 1wh7 s ARG 21 N -2.68 3.91 0.37 0.44 6.06 -1.26 -5.09 118.95 120.71 1wh7 s ARG 21 Ca 0.55 -0.37 -0.22 0.00 -2.50 0.00 0.00 55.73 53.20 1wh7 s ARG 21 Cb -0.13 -3.29 -0.10 0.00 0.06 0.00 0.00 34.95 31.48 1wh7 s ARG 21 CO 0.18 0.12 0.91 0.95 -2.50 0.00 0.00 175.30 174.96 1wh7 s THR 22 N 0.79 4.39 -0.13 4.11 -4.23 -1.26 -5.06 115.64 114.25 1wh7 s THR 22 Ca 0.04 1.50 0.01 0.00 -1.18 0.00 0.00 61.69 62.06 1wh7 s THR 22 Cb -0.13 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.00 1wh7 s THR 22 CO 0.02 -0.14 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.07 1wh7 s LYS 23 N -2.77 2.20 0.14 3.99 2.47 -1.26 -5.13 119.74 119.38 1wh7 s LYS 23 Ca 0.57 -0.53 0.04 0.00 -1.56 0.00 0.00 55.97 54.48 1wh7 s LYS 23 Cb -0.12 -1.98 -0.04 0.00 -1.46 0.00 0.00 37.83 34.23 1wh7 s LYS 23 CO 0.17 -0.17 -0.09 -0.06 0.16 0.00 0.00 175.35 175.35 1wh7 s PHE 24 N 1.31 1.19 0.29 4.03 0.08 -1.26 -5.15 117.98 118.46 1wh7 s PHE 24 Ca 0.00 -0.79 -0.08 0.00 0.12 0.00 0.00 56.93 56.19 1wh7 s PHE 24 Cb -0.14 -0.62 -0.06 0.00 -0.57 0.00 0.00 43.02 41.63 1wh7 s PHE 24 CO -0.07 0.04 0.60 -0.08 -0.10 0.00 0.00 175.22 175.61 1wh7 s THR 25 N -3.36 4.93 0.18 0.64 -1.32 -1.26 -4.89 115.64 110.56 1wh7 s THR 25 Ca 0.15 0.37 -0.27 0.00 -1.21 0.00 0.00 61.69 60.73 1wh7 s THR 25 Cb 0.03 -3.68 0.03 0.00 -1.51 0.00 0.00 72.50 67.37 1wh7 s THR 25 CO -0.01 -0.26 1.54 0.00 -2.21 0.00 0.00 174.62 173.69 1wh7 n ALA 26 N -0.67 -0.47 -0.37 11.08 0.00 -1.26 0.05 120.51 128.86 1wh7 n ALA 26 Ca 0.00 0.90 -0.05 0.00 0.00 0.00 0.00 53.44 54.29 1wh7 n ALA 26 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 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 -5.32 -0.30 0.10 0.00 4.07 -1.26 0.19 120.64 118.12 1wh7 n GLU 27 Ca 0.05 1.41 -0.12 0.00 -0.06 0.00 0.00 57.16 58.44 1wh7 n GLU 27 Cb 0.31 -2.09 -0.05 0.00 -0.06 0.00 0.00 31.44 29.54 1wh7 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1wh7 h GLN 28 N 0.00 -0.44 0.13 5.31 4.20 -0.76 1.00 115.11 124.54 1wh7 h GLN 28 Ca 0.24 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1wh7 h GLN 28 Cb 0.48 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1wh7 h GLN 28 CO -0.90 -0.29 -0.30 0.87 -0.67 0.00 0.00 178.83 177.53 1wh7 h LYS 29 N -0.46 -0.51 0.25 1.46 6.56 0.11 0.73 116.57 124.71 1wh7 h LYS 29 Ca 0.04 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.67 1wh7 h LYS 29 Cb 0.50 0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.24 1wh7 h LYS 29 CO -0.17 -0.34 -0.41 0.93 -2.06 0.00 0.00 179.45 177.39 1wh7 h GLU 30 N -0.53 -0.71 -0.23 3.15 5.08 0.25 1.38 114.58 122.97 1wh7 h GLU 30 Ca 0.03 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1wh7 h GLU 30 Cb 0.56 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1wh7 h GLU 30 CO -0.17 -0.47 -0.30 0.87 -1.00 0.00 0.00 179.01 177.94 1wh7 h LYS 31 N -0.73 -0.30 -0.17 2.33 6.56 0.13 -1.03 116.57 123.35 1wh7 h LYS 31 Ca -0.00 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.63 1wh7 h LYS 31 Cb 0.71 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.41 1wh7 h LYS 31 CO -0.16 -0.20 0.01 0.52 -2.06 0.00 0.00 179.45 177.56 1wh7 h MET 32 N -0.31 0.07 -0.88 3.15 2.86 0.91 1.47 114.93 122.20 1wh7 h MET 32 Ca 0.13 -0.00 0.23 0.00 -2.06 0.00 0.00 59.70 58.00 1wh7 h MET 32 Cb 0.52 -0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.02 1wh7 h MET 32 CO -0.41 0.05 0.19 -0.07 1.06 0.00 0.00 176.91 177.72 1wh7 h LEU 33 N 0.08 -0.09 0.00 1.22 -0.00 0.28 0.65 115.31 117.44 1wh7 h LEU 33 Ca 0.08 0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1wh7 h LEU 33 Cb 0.09 0.30 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1wh7 h LEU 33 CO -0.12 -0.19 -0.02 0.00 -0.00 0.00 0.00 178.44 178.11 1wh7 h ALA 34 N 1.80 0.00 -0.94 1.53 0.00 -0.43 -2.87 119.26 118.35 1wh7 h ALA 34 Ca 0.54 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.42 1wh7 h ALA 34 Cb 1.09 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1wh7 h ALA 34 CO -0.69 0.02 -0.45 0.34 0.00 0.00 0.00 179.25 178.47 1wh7 n PHE 35 N -4.73 -0.17 -0.33 0.00 7.35 0.50 0.15 117.46 120.24 1wh7 n PHE 35 Ca -0.03 1.17 -0.03 0.00 -0.76 0.00 0.00 57.45 57.80 1wh7 n PHE 35 Cb 0.14 -0.73 0.09 0.00 0.35 0.00 0.00 39.48 39.33 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 0.94 1.12 -0.13 3.13 0.00 0.12 0.25 119.26 124.69 1wh7 h ALA 36 Ca 0.25 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1wh7 h ALA 36 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wh7 h ALA 36 CO -0.92 0.51 0.11 0.93 0.00 0.00 0.00 179.25 179.89 1wh7 h GLU 37 N 1.19 0.00 0.06 0.00 4.39 0.16 1.97 114.58 122.36 1wh7 h GLU 37 Ca 0.33 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.94 1wh7 h GLU 37 Cb -0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1wh7 h GLU 37 CO -0.08 0.00 -0.41 0.00 -1.16 0.00 0.00 179.01 177.37 1wh7 h ARG 38 N 0.00 0.14 0.00 2.33 3.08 0.16 -3.26 114.38 116.82 1wh7 h ARG 38 Ca 0.06 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1wh7 h ARG 38 Cb 0.29 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1wh7 h ARG 38 CO -0.00 1.11 0.00 -0.07 -1.07 0.00 0.00 179.97 179.94 1wh7 h LEU 39 N -0.71 0.00 0.00 3.04 3.38 -0.39 -3.46 115.31 117.17 1wh7 h LEU 39 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wh7 h LEU 39 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wh7 h LEU 39 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1wh7 n GLY 40 N 0.46 1.05 2.33 0.83 0.00 0.55 -3.71 105.19 106.70 1wh7 n GLY 40 Ca 0.03 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.58 -0.42 -3.95 1.61 7.02 0.50 -4.95 117.44 114.66 1wh7 n TRP 41 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1wh7 n TRP 41 Cb 0.21 -2.88 -0.08 0.00 -2.42 0.00 0.00 31.31 26.15 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 -4.15 0.97 -0.02 -0.99 1.70 -1.24 -4.60 118.95 110.61 1wh7 s ARG 42 Ca 0.00 -1.12 0.02 0.00 -0.47 0.00 0.00 55.73 54.15 1wh7 s ARG 42 Cb 0.00 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1wh7 s ARG 42 CO 0.00 -0.32 -0.06 0.42 -1.08 0.00 0.00 175.30 174.25 1wh7 s ILE 43 N -3.93 0.58 0.14 4.99 1.01 -1.26 -4.65 121.20 118.08 1wh7 s ILE 43 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1wh7 s ILE 43 Cb 0.05 -0.53 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 1wh7 s ILE 43 CO -0.05 0.19 0.00 0.00 0.00 0.00 0.00 174.94 175.09 1wh7 n GLN 44 N 3.36 1.62 0.25 2.79 6.02 -1.26 -4.97 117.38 125.18 1wh7 n GLN 44 Ca -0.18 -1.02 0.13 0.00 -0.01 0.00 0.00 57.00 55.92 1wh7 n GLN 44 Cb 0.55 0.29 0.60 0.00 1.02 0.00 0.00 30.24 32.69 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 0.16 -1.09 2.10 -2.02 -2.60 116.57 113.13 1wh7 h LYS 45 Ca -0.11 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.23 1wh7 h LYS 45 Cb 0.35 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1wh7 h LYS 45 CO 0.19 0.13 -1.41 1.12 -2.00 0.00 0.00 179.45 177.48 1wh7 h HIS 46 N 0.00 0.62 -0.53 0.07 2.07 -2.04 -3.31 115.15 112.04 1wh7 h HIS 46 Ca -0.00 -0.45 -0.34 0.00 -2.85 0.00 0.00 60.37 56.73 1wh7 h HIS 46 Cb 0.58 -0.02 -0.12 0.00 2.57 0.00 0.00 27.41 30.41 1wh7 h HIS 46 CO 0.00 1.40 0.03 -0.25 -3.07 0.00 0.00 177.93 176.04 1wh7 n ASP 47 N -3.56 5.88 -0.09 3.10 9.92 -0.98 -4.21 116.55 126.61 1wh7 n ASP 47 Ca -0.14 -2.85 -0.12 0.00 -0.53 0.00 0.00 54.79 51.16 1wh7 n ASP 47 Cb 1.05 -1.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wh7 n ASP 48 N 1.60 1.88 0.26 -2.24 2.03 -1.24 -3.87 116.55 114.98 1wh7 n ASP 48 Ca 0.44 0.46 -0.15 0.00 0.52 0.00 0.00 54.79 56.06 1wh7 n ASP 48 Cb 0.72 -0.83 -0.08 0.00 -0.72 0.00 0.00 41.12 40.21 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1wh7 h VAL 49 N -1.00 0.47 -1.06 5.18 2.07 -1.88 -1.34 116.25 118.69 1wh7 h VAL 49 Ca -0.14 -0.29 0.35 0.00 0.82 0.00 0.00 66.70 67.44 1wh7 h VAL 49 Cb 0.93 0.59 -0.14 0.00 -1.52 0.00 0.00 31.29 31.15 1wh7 h VAL 49 CO -0.08 0.05 0.62 0.00 0.02 0.00 0.00 177.57 178.17 1wh7 h ALA 50 N -0.44 2.13 -0.35 1.67 0.00 -1.81 1.59 119.26 122.03 1wh7 h ALA 50 Ca -0.07 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1wh7 h ALA 50 Cb 0.58 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wh7 h ALA 50 CO 0.11 -0.75 -0.06 0.28 0.00 0.00 0.00 179.25 178.83 1wh7 h VAL 51 N 0.26 1.27 -0.66 0.00 2.07 -1.57 -1.88 116.25 115.73 1wh7 h VAL 51 Ca 0.75 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1wh7 h VAL 51 Cb 1.87 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1wh7 h VAL 51 CO -0.57 0.36 0.10 -0.33 0.02 0.00 0.00 177.57 177.15 1wh7 h GLU 52 N 0.46 1.11 -0.72 1.57 4.39 0.30 -2.11 114.58 119.58 1wh7 h GLU 52 Ca 0.09 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1wh7 h GLU 52 Cb 0.55 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1wh7 h GLU 52 CO 0.03 1.02 0.46 1.96 -1.16 0.00 0.00 179.01 181.32 1wh7 h GLN 53 N 1.03 0.95 0.14 2.33 4.20 0.75 0.29 115.11 124.79 1wh7 h GLN 53 Ca 0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1wh7 h GLN 53 Cb 0.45 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wh7 h GLN 53 CO 0.01 0.64 -0.07 0.35 -0.67 0.00 0.00 178.83 179.10 1wh7 h PHE 54 N 0.98 -0.17 -0.21 2.96 3.57 -0.91 -2.62 116.94 120.53 1wh7 h PHE 54 Ca 0.26 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1wh7 h PHE 54 Cb -0.09 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1wh7 h PHE 54 CO 0.00 0.14 -0.06 0.00 -2.23 0.00 0.00 178.31 176.16 1wh7 h ALA 56 N 1.20 1.76 -0.46 0.00 0.00 -0.90 1.42 119.26 122.28 1wh7 h ALA 56 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wh7 h ALA 56 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wh7 h ALA 56 CO -0.22 -0.58 0.00 0.39 0.00 0.00 0.00 179.25 178.84 1wh7 n GLU 57 N -3.18 0.00 0.10 0.00 -0.58 0.14 -4.75 120.64 112.38 1wh7 n GLU 57 Ca 0.03 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 1wh7 n GLU 57 Cb 0.58 -0.49 -0.08 0.00 -0.57 0.00 0.00 31.44 30.88 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1wh7 h THR 58 N 0.00 0.91 0.00 2.62 1.35 0.16 -3.48 112.91 114.47 1wh7 h THR 58 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1wh7 h THR 58 Cb 0.00 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1wh7 h THR 58 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1wh7 n GLY 59 N -0.39 0.92 3.74 5.82 0.00 0.49 -5.00 105.19 110.77 1wh7 n GLY 59 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 3.46 0.09 1.61 1.01 -1.26 -4.95 120.40 118.36 1wh7 s VAL 60 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1wh7 s VAL 60 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1wh7 s VAL 60 CO 0.00 0.20 1.01 -0.13 0.00 0.00 0.00 175.10 176.18 1wh7 s ARG 61 N -0.33 4.63 0.28 2.72 0.52 -1.26 -4.27 118.95 121.24 1wh7 s ARG 61 Ca 0.53 1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 57.19 1wh7 s ARG 61 Cb -0.34 -3.38 0.50 0.00 0.52 0.00 0.00 34.95 32.26 1wh7 s ARG 61 CO 0.38 0.09 1.56 -0.09 0.02 0.00 0.00 175.30 177.26 1wh7 h ARG 62 N 5.89 0.00 -0.60 3.54 2.43 -1.94 1.61 114.38 125.32 1wh7 h ARG 62 Ca -0.43 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 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 0.73 0.00 0.36 -0.56 -1.51 0.00 0.00 179.97 179.00 1wh7 h GLN 63 N 0.00 0.69 -0.22 0.20 3.07 -1.98 1.50 115.11 118.38 1wh7 h GLN 63 Ca 0.50 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 59.15 1wh7 h GLN 63 Cb 0.81 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.20 1wh7 h GLN 63 CO -1.01 0.46 -0.04 0.28 0.09 0.00 0.00 178.83 178.62 1wh7 h VAL 64 N 0.72 1.28 0.32 1.86 2.07 0.11 0.15 116.25 122.74 1wh7 h VAL 64 Ca 0.24 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1wh7 h VAL 64 Cb 0.02 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1wh7 h VAL 64 CO -0.10 0.31 -0.15 0.25 0.02 0.00 0.00 177.57 177.89 1wh7 h LEU 65 N 0.16 -0.37 -0.07 2.57 5.85 0.22 1.45 115.31 125.12 1wh7 h LEU 65 Ca 0.06 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1wh7 h LEU 65 Cb 0.48 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1wh7 h LEU 65 CO 0.02 -0.17 -0.27 0.50 -0.34 0.00 0.00 178.44 178.19 1wh7 h LYS 66 N -0.55 -0.36 -0.60 1.25 3.11 0.21 0.45 116.57 120.09 1wh7 h LYS 66 Ca -0.04 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1wh7 h LYS 66 Cb 0.40 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.69 1wh7 h LYS 66 CO 0.07 -0.24 0.26 0.82 -2.81 0.00 0.00 179.45 177.55 1wh7 h ILE 67 N -0.37 1.21 -0.11 2.00 2.04 -0.60 -2.14 117.51 119.54 1wh7 h ILE 67 Ca 0.08 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1wh7 h ILE 67 Cb 0.49 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1wh7 h ILE 67 CO -0.28 0.25 -0.05 -0.25 0.00 0.00 0.00 178.15 177.82 1wh7 h TRP 68 N 0.85 -0.11 0.07 1.37 7.01 0.38 0.36 115.95 125.89 1wh7 h TRP 68 Ca 0.21 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.24 1wh7 h TRP 68 Cb 0.13 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1wh7 h TRP 68 CO 0.01 -0.08 -0.46 0.52 -2.79 0.00 0.00 178.44 175.64 1wh7 h MET 69 N -0.03 -0.64 0.21 2.65 2.86 0.44 -1.66 114.93 118.77 1wh7 h MET 69 Ca 0.06 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1wh7 h MET 69 Cb 0.12 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1wh7 h MET 69 CO -0.13 -0.43 -0.36 1.25 1.06 0.00 0.00 176.91 178.30 1wh7 h HIS 70 N -0.67 -0.98 -1.83 -0.22 -0.00 -1.16 1.29 115.15 111.59 1wh7 h HIS 70 Ca 0.02 0.02 0.53 0.00 -0.00 0.00 0.00 60.37 60.94 1wh7 h HIS 70 Cb 0.71 0.40 -0.07 0.00 -0.00 0.00 0.00 27.41 28.44 1wh7 h HIS 70 CO -0.42 -0.48 1.35 -0.91 -0.00 0.00 0.00 177.93 177.47 1wh7 h ASN 71 N -0.64 0.00 0.00 3.26 2.35 0.08 -0.73 115.58 119.90 1wh7 h ASN 71 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1wh7 h ASN 71 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1wh7 h ASN 71 CO -0.15 0.00 -0.41 0.59 -1.65 0.00 0.00 177.43 175.81 1wh7 n ASN 72 N -3.91 1.18 -4.13 5.81 3.02 0.33 -4.81 115.26 112.75 1wh7 n ASN 72 Ca 0.41 0.42 -0.36 0.00 -0.03 0.00 0.00 54.58 55.02 1wh7 n ASN 72 Cb 1.90 -0.72 0.08 0.00 -0.61 0.00 0.00 39.78 40.44 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 -3.77 -0.50 -1.43 3.52 2.85 0.42 -4.39 118.16 114.85 1wh7 n LYS 73 Ca -0.06 -0.14 -0.46 0.00 -1.05 0.00 0.00 58.31 56.60 1wh7 n LYS 73 Cb 0.21 -1.30 -0.13 0.00 -0.65 0.00 0.00 35.03 33.15 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 1.43 0.56 0.00 -5.58 6.94 -1.26 -4.81 115.26 112.54 1wh7 n ASN 74 Ca -0.00 0.30 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 1wh7 n ASN 74 Cb 0.66 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 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 9.89 0.00 -4.07 0.53 7.64 -1.26 -4.67 113.62 121.67 1wh7 n SER 75 Ca 0.61 0.50 -0.34 0.00 1.01 0.00 0.00 58.87 60.64 1wh7 n SER 75 Cb 0.04 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 62.86 1wh7 n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh7 s GLY 76 N -1.05 2.11 -0.86 0.23 0.00 -1.26 -4.99 107.32 101.51 1wh7 s GLY 76 Ca 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 44.72 41.92 1wh7 s GLY 76 CO 0.00 1.02 2.59 -1.55 0.00 0.00 0.00 173.10 175.16 1wh7 n PRO 77 N 4.18 2.40 -2.40 2.90 -0.04 -1.26 -4.49 135.00 136.28 1wh7 n PRO 77 Ca 0.02 -1.47 -0.05 0.00 -0.04 0.00 0.00 63.50 61.96 1wh7 n PRO 77 Cb 0.40 -2.38 0.01 0.00 -0.04 0.00 0.00 33.50 31.48 1wh7 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh7 n SER 78 N 3.54 -5.99 -4.57 3.54 2.88 -1.26 -4.99 113.62 106.77 1wh7 n SER 78 Ca 0.51 0.37 -0.39 0.00 -1.33 0.00 0.00 58.87 58.04 1wh7 n SER 78 Cb 0.33 -3.95 -0.11 0.00 -0.75 0.00 0.00 64.21 59.73 1wh7 n SER 78 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh7 s SER 79 N -2.06 6.02 0.00 -3.46 0.01 -1.26 -5.26 113.70 107.68 1wh7 s SER 79 Ca 0.16 -0.11 0.29 0.00 1.31 0.00 0.00 55.95 57.60 1wh7 s SER 79 Cb -0.05 -2.12 1.22 0.00 0.21 0.00 0.00 66.02 65.28 1wh7 s SER 79 CO 0.51 -0.09 1.84 0.61 0.41 0.00 0.00 173.24 176.52