#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 -0.99 -0.30 1.61 1.04 -1.26 -4.88 113.70 108.92 1wh7 s SER 2 Ca 0.00 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 1wh7 s SER 2 Cb 0.00 1.96 0.19 0.00 0.10 0.00 0.00 66.02 68.27 1wh7 s SER 2 CO 0.00 -0.26 0.65 -0.55 0.98 0.00 0.00 173.24 174.06 1wh7 s SER 3 N 2.80 -1.34 0.06 7.02 0.15 -1.26 -5.12 113.70 116.01 1wh7 s SER 3 Ca 0.13 0.69 -0.31 0.00 0.70 0.00 0.00 55.95 57.16 1wh7 s SER 3 Cb -0.14 2.06 -0.07 0.00 -1.71 0.00 0.00 66.02 66.15 1wh7 s SER 3 CO -0.19 -0.25 1.52 -0.83 1.20 0.00 0.00 173.24 174.69 1wh7 s GLY 4 N 2.86 1.72 -0.28 9.45 0.00 -1.26 -4.68 107.32 115.13 1wh7 s GLY 4 Ca 0.17 1.09 -0.38 0.00 0.00 0.00 0.00 44.72 45.60 1wh7 s GLY 4 CO -0.21 2.66 1.39 -1.35 0.00 0.00 0.00 173.10 175.59 1wh7 s SER 5 N 1.94 -0.01 0.05 1.64 1.04 -1.26 -5.15 113.70 111.94 1wh7 s SER 5 Ca 0.69 -0.00 0.06 0.00 0.48 0.00 0.00 55.95 57.18 1wh7 s SER 5 Cb -0.37 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 1wh7 s SER 5 CO 0.30 -0.01 -0.18 -0.55 0.98 0.00 0.00 173.24 173.78 1wh7 s SER 6 N -2.06 2.11 0.00 7.02 0.15 -1.26 -4.59 113.70 115.07 1wh7 s SER 6 Ca 0.12 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1wh7 s SER 6 Cb -0.01 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1wh7 s SER 6 CO -0.02 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1wh7 n GLY 7 N 1.79 0.78 2.98 9.45 0.00 -1.26 -4.96 105.19 113.98 1wh7 n GLY 7 Ca -0.18 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1wh7 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh7 n SER 8 N 0.00 -7.17 -4.29 1.61 7.64 -1.26 -5.02 113.62 105.13 1wh7 n SER 8 Ca 0.00 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.53 1wh7 n SER 8 Cb 0.00 -3.23 -0.12 0.00 -1.01 0.00 0.00 64.21 59.85 1wh7 n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wh7 s ASN 9 N -1.26 2.42 0.09 6.43 0.01 -1.26 -5.05 114.94 116.32 1wh7 s ASN 9 Ca -0.00 -0.78 -0.12 0.00 -0.71 0.00 0.00 52.86 51.25 1wh7 s ASN 9 Cb 0.00 -0.12 -0.18 0.00 0.41 0.00 0.00 41.25 41.36 1wh7 s ASN 9 CO 0.35 -0.03 1.25 1.55 -1.51 0.00 0.00 177.10 178.70 1wh7 h PRO 10 N 3.63 0.70 -4.91 -0.60 0.13 -1.97 -3.46 132.00 125.51 1wh7 h PRO 10 Ca -0.43 -0.68 -0.31 0.00 -0.87 0.00 0.00 66.00 63.72 1wh7 h PRO 10 Cb 1.20 0.17 -0.18 0.00 0.13 0.00 0.00 31.00 32.32 1wh7 h PRO 10 CO 0.47 1.27 -0.73 -1.12 -0.23 0.00 0.00 178.00 177.66 1wh7 s SER 11 N -7.20 1.38 0.19 1.44 0.01 -1.26 -5.04 113.70 103.23 1wh7 s SER 11 Ca -0.09 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1wh7 s SER 11 Cb 0.08 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wh7 s SER 11 CO 0.91 -0.27 0.00 -1.20 0.41 0.00 0.00 173.24 173.08 1wh7 n SER 12 N 0.58 -9.07 -3.64 2.44 7.64 -1.26 -4.68 113.62 105.62 1wh7 n SER 12 Ca -0.16 1.43 -0.06 0.00 1.01 0.00 0.00 58.87 61.09 1wh7 n SER 12 Cb 0.58 -5.12 -0.07 0.00 -1.01 0.00 0.00 64.21 58.59 1wh7 n SER 12 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh7 s SER 13 N -0.53 -0.25 0.00 6.43 0.15 -1.26 -4.61 113.70 113.63 1wh7 s SER 13 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1wh7 s SER 13 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1wh7 s SER 13 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1wh7 n GLY 14 N 1.84 2.14 0.00 9.45 0.00 -1.26 -5.09 105.19 112.27 1wh7 n GLY 14 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 4.75 0.22 3.89 -0.02 0.00 -1.26 -5.11 105.19 107.67 1wh7 n GLY 15 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 3.99 0.00 2.61 -4.23 -1.26 -4.93 115.64 111.82 1wh7 s THR 16 Ca 0.00 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 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 -0.72 0.00 0.41 -0.54 0.00 0.00 174.62 173.77 1wh7 n THR 17 N -2.72 0.00 0.00 3.99 -1.04 -1.26 -5.03 114.28 108.23 1wh7 n THR 17 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 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 -1.32 0.00 -2.14 -2.82 2.85 -1.26 -5.12 118.16 108.35 1wh7 n LYS 18 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1wh7 n LYS 18 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 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 -1.53 4.29 0.02 -1.58 1.81 -1.26 -5.01 118.95 115.68 1wh7 s ARG 19 Ca 0.00 2.10 0.07 0.00 -1.72 0.00 0.00 55.73 56.18 1wh7 s ARG 19 Cb 0.00 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1wh7 s ARG 19 CO 0.00 -0.52 -0.21 -0.59 -0.68 0.00 0.00 175.30 173.30 1wh7 s PHE 20 N 1.65 2.48 0.39 -0.53 -0.12 -1.26 -4.95 117.98 115.66 1wh7 s PHE 20 Ca 0.66 -0.31 0.08 0.00 -0.05 0.00 0.00 56.93 57.30 1wh7 s PHE 20 Cb -0.36 -1.47 0.00 0.00 -0.63 0.00 0.00 43.02 40.56 1wh7 s PHE 20 CO 0.30 0.17 0.53 1.03 -0.05 0.00 0.00 175.22 177.19 1wh7 s ARG 21 N -1.16 2.89 0.47 1.99 0.52 -1.26 -5.05 118.95 117.35 1wh7 s ARG 21 Ca 0.13 -1.20 -0.20 0.00 -0.52 0.00 0.00 55.73 53.94 1wh7 s ARG 21 Cb -0.10 -2.75 -0.13 0.00 0.52 0.00 0.00 34.95 32.49 1wh7 s ARG 21 CO 0.03 -0.17 0.28 0.25 0.02 0.00 0.00 175.30 175.71 1wh7 n THR 22 N -1.77 1.21 -4.14 0.02 -2.24 -1.26 -4.97 114.28 101.14 1wh7 n THR 22 Ca 0.05 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 1wh7 n THR 22 Cb 0.59 -0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 68.33 1wh7 n THR 22 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wh7 s LYS 23 N -1.43 2.12 0.43 -0.78 2.20 -1.26 -5.13 119.74 115.90 1wh7 s LYS 23 Ca 0.62 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1wh7 s LYS 23 Cb -0.55 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 1wh7 s LYS 23 CO 0.60 -0.19 0.08 -0.06 -0.36 0.00 0.00 175.35 175.43 1wh7 s PHE 24 N 1.37 1.86 0.29 4.03 0.08 -1.26 -5.16 117.98 119.18 1wh7 s PHE 24 Ca 0.01 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.93 1wh7 s PHE 24 Cb -0.13 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1wh7 s PHE 24 CO -0.07 -0.09 0.48 -0.08 -0.10 0.00 0.00 175.22 175.35 1wh7 s THR 25 N -3.11 5.15 0.17 0.64 -1.32 -1.26 -4.92 115.64 110.98 1wh7 s THR 25 Ca 0.21 -0.46 -0.22 0.00 -1.21 0.00 0.00 61.69 60.01 1wh7 s THR 25 Cb 0.03 -3.81 0.06 0.00 -1.51 0.00 0.00 72.50 67.27 1wh7 s THR 25 CO 0.12 -0.40 1.37 0.00 -2.21 0.00 0.00 174.62 173.50 1wh7 n ALA 26 N -1.34 -0.36 -0.12 11.08 0.00 -1.26 -0.62 120.51 127.89 1wh7 n ALA 26 Ca -0.05 0.81 -0.03 0.00 0.00 0.00 0.00 53.44 54.17 1wh7 n ALA 26 Cb 0.55 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.01 -0.95 0.00 4.57 -1.98 0.50 114.58 116.71 1wh7 h GLU 27 Ca 0.22 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.52 1wh7 h GLU 27 Cb 0.44 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.89 1wh7 h GLU 27 CO -0.85 -0.00 -0.47 1.96 -1.18 0.00 0.00 179.01 178.47 1wh7 h GLN 28 N -0.01 -0.02 -0.72 1.92 4.20 -1.24 1.21 115.11 120.44 1wh7 h GLN 28 Ca 0.04 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.89 1wh7 h GLN 28 Cb 0.12 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 1wh7 h GLN 28 CO -0.26 -0.02 0.28 0.87 -0.67 0.00 0.00 178.83 179.04 1wh7 h LYS 29 N -0.02 0.43 0.37 1.46 6.56 -0.09 0.37 116.57 125.64 1wh7 h LYS 29 Ca 0.26 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.81 1wh7 h LYS 29 Cb 0.52 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1wh7 h LYS 29 CO -0.94 0.28 -0.18 0.93 -2.06 0.00 0.00 179.45 177.49 1wh7 h GLU 30 N 0.44 -0.47 0.10 3.15 5.08 0.59 0.47 114.58 123.94 1wh7 h GLU 30 Ca 0.39 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1wh7 h GLU 30 Cb 0.57 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1wh7 h GLU 30 CO -0.38 -0.27 -0.44 0.87 -1.00 0.00 0.00 179.01 177.79 1wh7 h LYS 31 N -0.57 -0.63 -0.08 2.33 1.79 0.14 -1.77 116.57 117.78 1wh7 h LYS 31 Ca -0.05 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1wh7 h LYS 31 Cb 0.42 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 1wh7 h LYS 31 CO 0.08 -0.42 -0.20 0.52 -1.08 0.00 0.00 179.45 178.35 1wh7 h MET 32 N -0.66 -0.27 -0.98 3.15 2.86 -0.26 1.67 114.93 120.45 1wh7 h MET 32 Ca 0.02 0.02 0.29 0.00 -2.06 0.00 0.00 59.70 57.97 1wh7 h MET 32 Cb 0.69 0.06 -0.18 0.00 0.06 0.00 0.00 31.60 32.23 1wh7 h MET 32 CO -0.26 -0.18 0.10 -0.07 1.06 0.00 0.00 176.91 177.56 1wh7 h LEU 33 N -0.28 -0.36 0.00 1.22 -0.00 0.44 1.39 115.31 117.73 1wh7 h LEU 33 Ca 0.08 0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1wh7 h LEU 33 Cb 0.39 0.45 -0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1wh7 h LEU 33 CO -0.24 -0.35 -0.12 0.00 -0.00 0.00 0.00 178.44 177.72 1wh7 h ALA 34 N 1.97 0.00 -0.98 1.53 0.00 -0.40 -2.91 119.26 118.48 1wh7 h ALA 34 Ca 0.63 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.54 1wh7 h ALA 34 Cb 1.35 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 1wh7 h ALA 34 CO -0.89 0.11 -0.37 0.35 0.00 0.00 0.00 179.25 178.46 1wh7 h PHE 35 N -1.00 -1.01 0.13 0.00 3.57 0.35 0.67 116.94 119.66 1wh7 h PHE 35 Ca -0.01 0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wh7 h PHE 35 Cb 0.19 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1wh7 h PHE 35 CO -0.02 -0.41 -0.09 0.00 -2.23 0.00 0.00 178.31 175.56 1wh7 h ALA 36 N 1.45 -0.21 -0.99 2.41 0.00 0.17 0.78 119.26 122.87 1wh7 h ALA 36 Ca 0.36 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.43 1wh7 h ALA 36 Cb 0.61 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1wh7 h ALA 36 CO -0.98 -0.63 0.62 0.93 0.00 0.00 0.00 179.25 179.19 1wh7 h GLU 37 N -0.23 0.63 -0.16 0.00 4.39 -0.08 1.87 114.58 121.00 1wh7 h GLU 37 Ca -0.01 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1wh7 h GLU 37 Cb 0.20 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1wh7 h GLU 37 CO -0.00 0.42 -0.12 0.00 -1.16 0.00 0.00 179.01 178.15 1wh7 h ARG 38 N 0.65 0.37 0.00 2.33 3.08 0.94 -2.56 114.38 119.18 1wh7 h ARG 38 Ca 0.56 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1wh7 h ARG 38 Cb 1.03 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1wh7 h ARG 38 CO -0.33 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 180.56 1wh7 n LEU 39 N -4.57 0.00 -0.32 3.04 4.77 0.19 -4.86 117.00 115.24 1wh7 n LEU 39 Ca -0.06 0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 1wh7 n LEU 39 Cb 0.34 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1wh7 n LEU 39 CO 0.39 -0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.98 1wh7 n GLY 40 N 0.94 0.42 2.30 -0.72 0.00 0.53 -2.71 105.19 105.95 1wh7 n GLY 40 Ca 0.12 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.50 -0.42 -3.83 1.61 7.02 0.42 -4.93 117.44 113.82 1wh7 n TRP 41 Ca -0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.32 1wh7 n TRP 41 Cb 0.34 -2.73 -0.10 0.00 -2.42 0.00 0.00 31.31 26.40 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 -4.14 0.51 -0.14 -0.99 1.70 -1.10 -4.73 118.95 110.05 1wh7 s ARG 42 Ca 0.00 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 55.04 1wh7 s ARG 42 Cb 0.00 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1wh7 s ARG 42 CO 0.00 -0.12 -0.19 0.42 -1.08 0.00 0.00 175.30 174.32 1wh7 s ILE 43 N -1.16 2.31 0.20 4.99 1.01 -1.26 -4.64 121.20 122.65 1wh7 s ILE 43 Ca -0.12 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1wh7 s ILE 43 Cb -0.06 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1wh7 s ILE 43 CO 0.02 0.54 0.08 0.00 0.00 0.00 0.00 174.94 175.58 1wh7 n GLN 44 N 4.02 1.34 0.26 2.79 6.02 -1.26 -4.95 117.38 125.59 1wh7 n GLN 44 Ca -0.20 -1.35 0.12 0.00 -0.01 0.00 0.00 57.00 55.56 1wh7 n GLN 44 Cb 0.52 0.25 0.68 0.00 1.02 0.00 0.00 30.24 32.71 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 0.03 -1.09 2.10 -2.02 -1.54 116.57 114.05 1wh7 h LYS 45 Ca -0.15 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.28 1wh7 h LYS 45 Cb 0.48 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1wh7 h LYS 45 CO 0.23 0.14 -0.98 1.12 -2.00 0.00 0.00 179.45 177.96 1wh7 h HIS 46 N 0.00 0.36 -0.85 0.07 2.07 -2.02 -3.27 115.15 111.51 1wh7 h HIS 46 Ca -0.00 -0.22 -0.49 0.00 -2.85 0.00 0.00 60.37 56.81 1wh7 h HIS 46 Cb 0.37 -0.03 -0.14 0.00 2.57 0.00 0.00 27.41 30.17 1wh7 h HIS 46 CO 0.00 1.07 0.70 -0.25 -3.07 0.00 0.00 177.93 176.38 1wh7 n ASP 47 N -3.62 6.59 -0.10 3.10 8.00 -0.58 -4.29 116.55 125.64 1wh7 n ASP 47 Ca -0.05 -3.04 -0.17 0.00 0.71 0.00 0.00 54.79 52.24 1wh7 n ASP 47 Cb 0.87 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1wh7 n ASP 48 N 1.40 1.89 0.21 -2.24 5.68 -1.24 -3.84 116.55 118.41 1wh7 n ASP 48 Ca 0.51 0.43 -0.13 0.00 -0.50 0.00 0.00 54.79 55.10 1wh7 n ASP 48 Cb 0.56 -0.86 -0.07 0.00 -1.14 0.00 0.00 41.12 39.61 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1wh7 h VAL 49 N -1.00 0.48 -0.95 2.12 2.07 -1.88 -2.18 116.25 114.91 1wh7 h VAL 49 Ca -0.29 -0.53 0.30 0.00 0.82 0.00 0.00 66.70 67.00 1wh7 h VAL 49 Cb 1.13 0.69 -0.16 0.00 -1.52 0.00 0.00 31.29 31.43 1wh7 h VAL 49 CO -0.17 0.08 0.34 0.00 0.02 0.00 0.00 177.57 177.84 1wh7 h ALA 50 N -0.54 1.59 -0.33 1.67 0.00 -1.83 1.29 119.26 121.12 1wh7 h ALA 50 Ca -0.06 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wh7 h ALA 50 Cb 0.56 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1wh7 h ALA 50 CO 0.09 -0.60 0.19 0.28 0.00 0.00 0.00 179.25 179.21 1wh7 h VAL 51 N 0.17 1.13 -0.64 0.00 2.07 -1.63 -0.32 116.25 117.02 1wh7 h VAL 51 Ca 0.66 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.83 1wh7 h VAL 51 Cb 1.48 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1wh7 h VAL 51 CO -0.71 0.13 0.26 1.05 0.02 0.00 0.00 177.57 178.33 1wh7 h GLU 52 N 0.41 0.94 0.17 1.57 4.11 0.20 0.13 114.58 122.11 1wh7 h GLU 52 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1wh7 h GLU 52 Cb 0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1wh7 h GLU 52 CO -0.02 0.76 -0.08 1.96 0.07 0.00 0.00 179.01 181.70 1wh7 h GLN 53 N 0.92 -0.22 0.42 1.06 4.20 0.64 -1.72 115.11 120.41 1wh7 h GLN 53 Ca 0.22 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1wh7 h GLN 53 Cb 0.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wh7 h GLN 53 CO -0.02 -0.08 -0.20 0.35 -0.67 0.00 0.00 178.83 178.21 1wh7 h PHE 54 N -0.33 -0.52 -1.92 2.96 3.04 -0.83 1.58 116.94 120.92 1wh7 h PHE 54 Ca -0.02 -0.01 0.56 0.00 3.98 0.00 0.00 57.97 62.48 1wh7 h PHE 54 Cb 0.25 0.17 -0.09 0.00 2.56 0.00 0.00 35.95 38.85 1wh7 h PHE 54 CO -0.04 -0.33 1.37 0.00 -2.02 0.00 0.00 178.31 177.30 1wh7 h ALA 56 N 1.06 0.00 -0.15 0.00 0.00 -0.94 -1.00 119.26 118.23 1wh7 h ALA 56 Ca 0.94 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.65 1wh7 h ALA 56 Cb 3.69 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 21.60 1wh7 h ALA 56 CO -0.06 0.15 -0.17 0.93 0.00 0.00 0.00 179.25 180.10 1wh7 h GLU 57 N -0.57 -0.10 0.01 0.00 4.39 0.53 -2.59 114.58 116.24 1wh7 h GLU 57 Ca 0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wh7 h GLU 57 Cb 0.15 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1wh7 h GLU 57 CO 0.00 -0.07 -0.01 1.79 -1.16 0.00 0.00 179.01 179.57 1wh7 h THR 58 N -0.10 1.13 0.00 1.13 1.35 -0.19 -3.47 112.91 112.75 1wh7 h THR 58 Ca 0.03 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1wh7 h THR 58 Cb 0.17 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1wh7 h THR 58 CO -0.20 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.79 1wh7 n GLY 59 N -0.61 1.49 3.92 5.82 0.00 -0.65 -4.97 105.19 110.19 1wh7 n GLY 59 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 4.55 -0.14 1.61 -7.23 -0.47 -4.91 120.40 111.81 1wh7 s VAL 60 Ca 0.00 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1wh7 s VAL 60 Cb 0.00 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1wh7 s VAL 60 CO 0.00 -0.67 0.12 -0.13 -0.31 0.00 0.00 175.10 174.11 1wh7 s ARG 61 N -4.72 3.62 0.13 4.82 1.81 -1.26 -3.95 118.95 119.39 1wh7 s ARG 61 Ca 0.48 -0.20 -0.24 0.00 -1.72 0.00 0.00 55.73 54.05 1wh7 s ARG 61 Cb -0.10 -3.21 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 1wh7 s ARG 61 CO 0.43 0.61 1.25 -2.13 -0.68 0.00 0.00 175.30 174.78 1wh7 n ARG 62 N 2.50 -0.35 -0.27 3.54 0.00 -1.26 0.19 116.66 121.01 1wh7 n ARG 62 Ca -0.19 1.23 0.02 0.00 -0.00 0.00 0.00 57.85 58.91 1wh7 n ARG 62 Cb 0.54 -1.80 0.16 0.00 0.00 0.00 0.00 32.46 31.35 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 0.71 -0.21 -0.14 3.07 -1.98 0.53 115.11 117.09 1wh7 h GLN 63 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.83 1wh7 h GLN 63 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1wh7 h GLN 63 CO -0.76 0.47 0.11 0.28 0.09 0.00 0.00 178.83 179.01 1wh7 h VAL 64 N 0.73 1.11 0.56 1.86 2.07 0.17 0.55 116.25 123.30 1wh7 h VAL 64 Ca 0.38 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1wh7 h VAL 64 Cb 0.36 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1wh7 h VAL 64 CO -0.25 0.11 -0.28 0.25 0.02 0.00 0.00 177.57 177.42 1wh7 h LEU 65 N 0.23 -0.66 -0.07 2.57 5.85 0.27 1.69 115.31 125.18 1wh7 h LEU 65 Ca 0.07 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1wh7 h LEU 65 Cb 0.08 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1wh7 h LEU 65 CO -0.01 -0.47 -0.26 0.50 -0.34 0.00 0.00 178.44 177.86 1wh7 h LYS 66 N -0.77 -0.35 -0.83 1.25 3.64 0.15 0.38 116.57 120.05 1wh7 h LYS 66 Ca -0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wh7 h LYS 66 Cb 0.59 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1wh7 h LYS 66 CO 0.12 -0.23 0.54 0.82 -2.27 0.00 0.00 179.45 178.43 1wh7 h ILE 67 N -0.36 1.22 -0.04 2.00 2.04 0.27 -1.77 117.51 120.88 1wh7 h ILE 67 Ca 0.08 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1wh7 h ILE 67 Cb 0.48 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1wh7 h ILE 67 CO -0.28 0.22 -0.10 -0.25 0.00 0.00 0.00 178.15 177.74 1wh7 h TRP 68 N 1.13 -0.24 -0.42 1.37 7.01 0.43 0.17 115.95 125.40 1wh7 h TRP 68 Ca 0.30 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.40 1wh7 h TRP 68 Cb -0.11 0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.00 1wh7 h TRP 68 CO 0.00 -0.15 -0.03 0.52 -2.79 0.00 0.00 178.44 176.00 1wh7 h MET 69 N -0.14 0.07 0.00 2.65 2.86 0.46 0.35 114.93 121.19 1wh7 h MET 69 Ca 0.05 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1wh7 h MET 69 Cb 0.22 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1wh7 h MET 69 CO -0.13 0.05 -0.07 1.25 1.06 0.00 0.00 176.91 179.07 1wh7 h HIS 70 N 0.08 0.00 -0.61 -0.22 -0.00 -0.74 0.03 115.15 113.68 1wh7 h HIS 70 Ca 0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.21 1wh7 h HIS 70 Cb 0.31 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 27.53 1wh7 h HIS 70 CO -0.30 0.07 0.47 0.09 -0.00 0.00 0.00 177.93 178.26 1wh7 n ASN 71 N -3.60 5.02 0.20 3.26 3.02 0.12 -4.03 115.26 119.26 1wh7 n ASN 71 Ca -0.02 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1wh7 n ASN 71 Cb 0.19 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 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 -0.27 -2.78 -0.49 6.41 3.02 -0.46 -4.57 115.26 116.12 1wh7 n ASN 72 Ca 0.38 0.74 0.41 0.00 -0.03 0.00 0.00 54.58 56.08 1wh7 n ASN 72 Cb 0.93 2.67 0.69 0.00 -0.61 0.00 0.00 39.78 43.47 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 0.01 0.00 3.52 2.10 -1.22 -3.16 116.57 117.82 1wh7 h LYS 73 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1wh7 h LYS 73 Cb 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1wh7 h LYS 73 CO 0.00 0.01 -0.10 0.09 -2.00 0.00 0.00 179.45 177.45 1wh7 n ASN 74 N -4.66 1.05 0.00 7.07 3.02 -1.26 -5.11 115.26 115.37 1wh7 n ASN 74 Ca 0.41 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1wh7 n ASN 74 Cb 1.60 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 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 -3.46 0.00 0.00 6.41 2.88 -1.20 -5.09 113.62 113.16 1wh7 n SER 75 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wh7 n SER 75 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 0.00 5.41 3.00 0.46 0.00 -1.26 -3.49 105.19 109.32 1wh7 n GLY 76 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 2.17 -3.97 1.61 -0.04 -1.26 -4.60 135.00 128.91 1wh7 n PRO 77 Ca 0.00 -2.28 -0.31 0.00 -0.04 0.00 0.00 63.50 60.87 1wh7 n PRO 77 Cb 0.00 -3.16 -0.15 0.00 -0.04 0.00 0.00 33.50 30.16 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 4.30 4.56 0.61 3.54 0.15 -1.26 -5.10 113.70 120.50 1wh7 s SER 78 Ca 0.54 -2.35 -0.18 0.00 0.70 0.00 0.00 55.95 54.66 1wh7 s SER 78 Cb 0.13 -1.55 -0.09 0.00 -1.71 0.00 0.00 66.02 62.80 1wh7 s SER 78 CO 0.03 -0.34 0.38 -1.20 1.20 0.00 0.00 173.24 173.31 1wh7 n SER 79 N 3.99 -1.63 0.00 5.45 7.64 -1.26 -5.01 113.62 122.79 1wh7 n SER 79 Ca 0.04 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1wh7 n SER 79 Cb 0.39 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64