#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7b n GLU 2 N 0.00 0.00 0.00 0.03 1.02 -1.26 -2.26 120.64 118.17 1l7b n GLU 2 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1l7b n GLU 2 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.56 1l7b n GLU 2 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1l7b n LYS 3 N 0.00 0.90 0.00 3.49 4.01 -1.26 -4.96 118.16 120.33 1l7b n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1l7b n LYS 3 Cb 0.00 -1.08 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1l7b n GLY 4 N 0.46 2.88 1.34 0.72 0.00 -0.96 -4.97 105.19 104.67 1l7b n GLY 4 Ca 0.04 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.96 1l7b n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7b n GLY 5 N 0.00 -2.48 0.00 -0.02 0.00 -1.26 -3.67 105.19 97.76 1l7b n GLY 5 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1l7b n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 6 N -4.16 0.00 0.00 1.61 1.02 -1.26 -4.44 120.64 113.41 1l7b n GLU 6 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1l7b n GLU 6 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1l7b n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l7b n ALA 7 N 0.00 0.00 -0.75 0.62 0.00 -1.26 -4.27 120.51 114.85 1l7b n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1l7b n ALA 7 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1l7b n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1l7b n LEU 8 N -1.23 0.30 -4.06 0.00 -0.00 -1.26 -4.93 117.00 105.81 1l7b n LEU 8 Ca 0.00 -0.30 -0.21 0.00 -0.00 0.00 0.00 56.01 55.50 1l7b n LEU 8 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 1l7b n LEU 8 CO 0.00 0.07 0.03 2.29 -0.00 0.00 0.00 177.39 179.78 1l7b n LYS 9 N -0.02 -2.57 0.00 1.47 -0.00 -1.22 -2.95 118.16 112.85 1l7b n LYS 9 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 58.31 57.55 1l7b n LYS 9 Cb 0.23 -1.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 1l7b n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1l7b n GLY 10 N 2.33 2.34 3.96 2.58 0.00 -1.26 -4.82 105.19 110.32 1l7b n GLY 10 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1l7b n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l7b s LEU 11 N 0.00 3.93 -0.12 0.99 1.43 -1.15 -4.94 118.68 118.82 1l7b s LEU 11 Ca 0.00 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1l7b s LEU 11 Cb 0.00 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1l7b s LEU 11 CO 0.00 -0.43 -0.19 -0.89 0.23 0.00 0.00 176.35 175.07 1l7b s THR 12 N -2.30 2.50 -0.14 5.49 2.01 -1.26 -2.32 115.64 119.62 1l7b s THR 12 Ca 0.43 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1l7b s THR 12 Cb -0.10 -2.01 -0.00 0.00 0.01 0.00 0.00 72.50 70.40 1l7b s THR 12 CO 0.34 0.54 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.29 1l7b s PHE 13 N 0.43 2.75 0.03 4.92 0.08 -0.91 -4.69 117.98 120.59 1l7b s PHE 13 Ca -0.14 -0.94 0.04 0.00 0.12 0.00 0.00 56.93 56.02 1l7b s PHE 13 Cb -0.17 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 1l7b s PHE 13 CO 0.06 -0.39 -0.08 0.08 -0.10 0.00 0.00 175.22 174.79 1l7b s VAL 14 N 0.60 3.55 -0.13 -0.44 1.01 0.12 -1.88 120.40 123.23 1l7b s VAL 14 Ca -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1l7b s VAL 14 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 1l7b s VAL 14 CO 0.03 0.32 -0.20 0.27 0.00 0.00 0.00 175.10 175.53 1l7b s ILE 15 N -1.05 2.34 -0.67 2.22 -4.36 -0.60 -2.07 121.20 117.02 1l7b s ILE 15 Ca 0.18 -0.90 -0.26 0.00 -0.26 0.00 0.00 60.65 59.41 1l7b s ILE 15 Cb -0.11 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1l7b s ILE 15 CO 0.09 0.54 1.91 -0.89 0.24 0.00 0.00 174.94 176.83 1l7b s THR 16 N 0.55 3.35 -1.01 8.37 2.01 -1.26 -3.91 115.64 123.74 1l7b s THR 16 Ca -0.12 0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1l7b s THR 16 Cb -0.17 -3.91 0.13 0.00 0.01 0.00 0.00 72.50 68.57 1l7b s THR 16 CO 0.04 -0.87 0.32 0.61 -0.69 0.00 0.00 174.62 174.03 1l7b n GLY 17 N 5.95 -0.27 0.68 4.40 0.00 -1.26 -3.54 105.19 111.15 1l7b n GLY 17 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1l7b n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 18 N -2.58 0.00 0.00 1.61 1.02 -1.25 -5.03 120.64 114.40 1l7b n GLU 18 Ca 0.06 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1l7b n GLU 18 Cb 0.29 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1l7b n GLU 18 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1l7b n LEU 19 N 0.00 0.00 -0.29 -4.62 4.32 -1.23 -4.37 117.00 110.81 1l7b n LEU 19 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 1l7b n LEU 19 Cb 0.00 0.00 0.61 0.00 -1.62 0.00 0.00 43.42 42.41 1l7b n LEU 19 CO 0.00 -0.28 0.91 -0.24 -1.22 0.00 0.00 177.39 176.56 1l7b n SER 20 N -0.92 0.88 -5.01 -1.43 2.88 -1.26 -4.63 113.62 104.12 1l7b n SER 20 Ca 0.00 -1.39 -0.18 0.00 -1.33 0.00 0.00 58.87 55.97 1l7b n SER 20 Cb 0.00 -0.02 0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1l7b n SER 20 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1l7b s ARG 21 N -1.95 2.72 -0.22 -1.46 3.00 -1.26 -4.79 118.95 114.99 1l7b s ARG 21 Ca 0.38 -1.32 -0.04 0.00 0.00 0.00 0.00 55.73 54.75 1l7b s ARG 21 Cb 0.19 -2.73 -0.13 0.00 0.00 0.00 0.00 34.95 32.28 1l7b s ARG 21 CO 0.31 -0.39 2.22 -0.35 0.00 0.00 0.00 175.30 177.09 1l7b n PRO 22 N -1.94 1.35 0.16 3.54 -0.04 -1.26 -4.67 135.00 132.14 1l7b n PRO 22 Ca 0.10 -0.77 0.01 0.00 -0.04 0.00 0.00 63.50 62.79 1l7b n PRO 22 Cb 0.60 -1.94 0.05 0.00 -0.04 0.00 0.00 33.50 32.17 1l7b n PRO 22 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1l7b n ARG 23 N 3.07 0.03 -0.05 0.54 -4.01 -1.26 -0.78 116.66 114.19 1l7b n ARG 23 Ca 0.29 0.46 -0.01 0.00 -1.04 0.00 0.00 57.85 57.56 1l7b n ARG 23 Cb 0.42 -2.24 -0.00 0.00 -3.04 0.00 0.00 32.46 27.61 1l7b n ARG 23 CO 0.00 0.00 0.00 1.49 -3.04 0.00 0.00 177.63 176.08 1l7b h GLU 24 N 0.00 0.00 -0.02 2.89 4.81 -1.99 -2.70 114.58 117.57 1l7b h GLU 24 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1l7b h GLU 24 Cb 1.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 1l7b h GLU 24 CO 0.00 0.00 -0.23 0.93 -0.73 0.00 0.00 179.01 178.98 1l7b h GLU 25 N -1.00 -0.34 -0.80 1.92 3.07 -1.36 -1.40 114.58 114.67 1l7b h GLU 25 Ca -0.00 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1l7b h GLU 25 Cb 0.06 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 1l7b h GLU 25 CO -0.00 -0.22 0.52 -0.24 -1.40 0.00 0.00 179.01 177.67 1l7b h VAL 26 N -0.35 1.10 -0.04 3.13 3.04 -1.65 -0.33 116.25 121.16 1l7b h VAL 26 Ca 0.07 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 1l7b h VAL 26 Cb 0.44 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 1l7b h VAL 26 CO -0.22 0.17 -0.08 0.11 -1.01 0.00 0.00 177.57 176.54 1l7b h LYS 27 N 0.95 0.06 -0.21 4.17 6.56 -0.94 1.19 116.57 128.36 1l7b h LYS 27 Ca 0.33 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.82 1l7b h LYS 27 Cb 0.10 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1l7b h LYS 27 CO -0.10 0.15 -0.26 0.00 -2.06 0.00 0.00 179.45 177.18 1l7b h ALA 28 N 1.86 1.17 0.00 3.86 0.00 -0.25 -1.64 119.26 124.26 1l7b h ALA 28 Ca 0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1l7b h ALA 28 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1l7b h ALA 28 CO 0.01 0.53 -1.15 -0.07 0.00 0.00 0.00 179.25 178.57 1l7b h LEU 29 N 0.35 0.00 0.09 0.00 -0.00 -0.82 -3.26 115.31 111.67 1l7b h LEU 29 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1l7b h LEU 29 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1l7b h LEU 29 CO 0.05 0.38 -0.04 0.25 -0.00 0.00 0.00 178.44 179.08 1l7b h LEU 30 N 0.00 -0.10 -0.52 1.67 7.12 0.18 -1.39 115.31 122.27 1l7b h LEU 30 Ca -0.09 -0.34 -0.01 0.00 0.13 0.00 0.00 57.88 57.57 1l7b h LEU 30 Cb 1.38 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 1l7b h LEU 30 CO 0.03 0.30 0.30 -0.09 -0.13 0.00 0.00 178.44 178.86 1l7b h ARG 31 N -0.53 0.71 -0.53 1.25 2.43 -1.46 -1.51 114.38 114.74 1l7b h ARG 31 Ca -0.01 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1l7b h ARG 31 Cb 0.44 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1l7b h ARG 31 CO 0.02 0.53 0.35 0.00 -1.51 0.00 0.00 179.97 179.36 1l7b h ARG 32 N 0.69 0.55 -0.02 0.20 2.47 -1.59 -0.59 114.38 116.09 1l7b h ARG 32 Ca 0.18 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1l7b h ARG 32 Cb 0.01 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1l7b h ARG 32 CO -0.03 0.36 0.00 -0.11 0.56 0.00 0.00 179.97 180.75 1l7b n LEU 33 N -4.47 0.02 0.00 3.04 -0.00 -0.53 -4.77 117.00 110.29 1l7b n LEU 33 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1l7b n LEU 33 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1l7b n LEU 33 CO 0.35 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.35 1l7b n GLY 34 N -0.10 2.17 3.77 -3.96 0.00 -0.23 -3.46 105.19 103.37 1l7b n GLY 34 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1l7b n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7b s ALA 35 N 0.00 3.56 0.51 4.61 0.00 -1.24 -4.28 121.76 124.92 1l7b s ALA 35 Ca 0.00 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 1l7b s ALA 35 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1l7b s ALA 35 CO 0.00 -0.80 1.03 0.15 0.00 0.00 0.00 175.76 176.14 1l7b s LYS 36 N -1.52 3.75 0.13 0.00 -0.14 -0.98 -4.10 119.74 116.87 1l7b s LYS 36 Ca 0.53 1.26 0.07 0.00 -1.36 0.00 0.00 55.97 56.47 1l7b s LYS 36 Cb -0.42 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 1l7b s LYS 36 CO 0.54 -0.46 -0.05 0.14 -0.76 0.00 0.00 175.35 174.76 1l7b s VAL 37 N -2.17 3.60 0.27 3.17 -7.23 -1.26 -2.13 120.40 114.64 1l7b s VAL 37 Ca 0.65 -1.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 1l7b s VAL 37 Cb -0.15 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.08 1l7b s VAL 37 CO 0.24 0.02 0.51 0.35 -0.31 0.00 0.00 175.10 175.90 1l7b n THR 38 N 0.33 0.00 -1.28 5.32 -2.24 -0.79 -4.94 114.28 110.69 1l7b n THR 38 Ca -0.11 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1l7b n THR 38 Cb 0.53 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1l7b n THR 38 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1l7b n ASP 39 N -1.43 0.00 -3.68 3.42 5.68 -1.26 -1.56 116.55 117.72 1l7b n ASP 39 Ca -0.05 -0.82 -0.23 0.00 -0.50 0.00 0.00 54.79 53.19 1l7b n ASP 39 Cb 0.40 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.32 1l7b n ASP 39 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1l7b n SER 40 N 0.00 1.10 -4.00 -1.12 3.41 -1.26 -4.14 113.62 107.61 1l7b n SER 40 Ca 0.00 -3.03 -0.09 0.00 -0.26 0.00 0.00 58.87 55.49 1l7b n SER 40 Cb 0.20 1.00 -0.11 0.00 -0.26 0.00 0.00 64.21 65.04 1l7b n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1l7b s VAL 41 N -3.00 0.14 0.00 -3.33 -7.23 -1.26 -4.82 120.40 100.90 1l7b s VAL 41 Ca 0.20 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1l7b s VAL 41 Cb 0.01 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1l7b s VAL 41 CO 0.14 -0.57 0.00 -1.54 -0.31 0.00 0.00 175.10 172.82 1l7b n SER 42 N 1.37 0.00 0.00 4.85 3.41 -1.20 -5.02 113.62 117.03 1l7b n SER 42 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1l7b n SER 42 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1l7b n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1l7b n ARG 43 N -1.33 0.00 0.00 4.33 1.74 -1.26 -4.90 116.66 115.24 1l7b n ARG 43 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1l7b n ARG 43 Cb 0.00 0.00 0.59 0.00 -1.02 0.00 0.00 32.46 32.03 1l7b n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1l7b n LYS 44 N 0.00 0.79 -3.67 5.56 5.02 -1.26 -4.40 118.16 120.20 1l7b n LYS 44 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1l7b n LYS 44 Cb 0.00 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1l7b n LYS 44 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1l7b s THR 45 N -2.00 0.47 -0.42 -0.18 2.01 -1.26 -5.02 115.64 109.24 1l7b s THR 45 Ca 0.30 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.38 1l7b s THR 45 Cb 0.14 -1.29 0.26 0.00 0.01 0.00 0.00 72.50 71.62 1l7b s THR 45 CO 0.23 -0.60 0.71 -1.20 -0.69 0.00 0.00 174.62 173.07 1l7b n SER 46 N 5.03 -0.93 -3.68 3.53 7.64 -1.26 -3.25 113.62 120.70 1l7b n SER 46 Ca -0.05 -3.01 -0.10 0.00 1.01 0.00 0.00 58.87 56.73 1l7b n SER 46 Cb 0.43 0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 1l7b n SER 46 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1l7b s TYR 47 N -0.62 -0.66 0.07 1.43 2.02 -1.25 -4.00 117.35 114.33 1l7b s TYR 47 Ca 0.34 1.37 0.06 0.00 -0.37 0.00 0.00 57.07 58.47 1l7b s TYR 47 Cb 0.22 0.29 -0.03 0.00 -0.40 0.00 0.00 41.96 42.04 1l7b s TYR 47 CO -0.15 -0.38 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.11 1l7b s LEU 48 N 1.66 2.25 -0.35 -1.29 0.20 -1.26 0.14 118.68 120.05 1l7b s LEU 48 Ca -0.08 -0.60 -0.21 0.00 0.69 0.00 0.00 54.13 53.93 1l7b s LEU 48 Cb -0.09 -0.70 0.00 0.00 -0.43 0.00 0.00 46.19 44.98 1l7b s LEU 48 CO -0.13 0.01 0.67 0.68 -0.29 0.00 0.00 176.35 177.29 1l7b s VAL 49 N -1.11 4.86 1.05 1.68 -7.23 -0.88 -1.45 120.40 117.33 1l7b s VAL 49 Ca 0.02 0.72 -0.19 0.00 -1.81 0.00 0.00 61.98 60.73 1l7b s VAL 49 Cb -0.09 -4.09 0.02 0.00 0.56 0.00 0.00 36.38 32.78 1l7b s VAL 49 CO 0.03 -0.30 -0.22 0.52 -0.31 0.00 0.00 175.10 174.82 1l7b n VAL 50 N 5.59 0.00 0.00 1.32 0.31 -1.08 -4.69 118.33 119.78 1l7b n VAL 50 Ca -0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1l7b n VAL 50 Cb 0.49 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1l7b n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7b n GLY 51 N 2.26 2.80 0.00 2.92 0.00 -1.26 -4.30 105.19 107.61 1l7b n GLY 51 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1l7b n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l7b n GLU 52 N 0.00 0.00 0.03 1.61 2.13 -1.26 -4.92 120.64 118.23 1l7b n GLU 52 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1l7b n GLU 52 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1l7b n GLU 52 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1l7b n ASN 53 N 0.00 0.50 0.00 4.31 4.13 -1.26 -4.73 115.26 118.21 1l7b n ASN 53 Ca 0.00 0.09 0.06 0.00 1.68 0.00 0.00 54.58 56.41 1l7b n ASN 53 Cb 0.00 -0.13 0.35 0.00 -1.54 0.00 0.00 39.78 38.46 1l7b n ASN 53 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1l7b n PRO 54 N -3.00 0.71 -0.56 3.52 -0.04 -1.26 -4.74 135.00 129.63 1l7b n PRO 54 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1l7b n PRO 54 Cb 0.00 -1.26 0.22 0.00 -0.04 0.00 0.00 33.50 32.42 1l7b n PRO 54 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1l7b s GLY 55 N -1.66 1.60 0.08 0.55 0.00 -1.26 -4.87 107.32 101.76 1l7b s GLY 55 Ca 0.18 0.19 0.22 0.00 0.00 0.00 0.00 44.72 45.31 1l7b s GLY 55 CO 0.14 0.80 1.69 -1.26 0.00 0.00 0.00 173.10 174.46 1l7b n SER 56 N -4.71 0.24 0.33 1.64 2.88 -1.26 -2.97 113.62 109.77 1l7b n SER 56 Ca 0.07 0.54 0.22 0.00 -1.33 0.00 0.00 58.87 58.37 1l7b n SER 56 Cb 0.53 -0.60 1.17 0.00 -0.75 0.00 0.00 64.21 64.57 1l7b n SER 56 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1l7b h LYS 57 N 0.00 0.00 -0.08 -1.46 -0.00 -1.84 -2.13 116.57 111.06 1l7b h LYS 57 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.67 1l7b h LYS 57 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.64 1l7b h LYS 57 CO 0.00 0.00 0.49 -0.07 -0.00 0.00 0.00 179.45 179.87 1l7b h LEU 58 N 0.00 0.00 0.15 7.07 3.38 -1.82 1.36 115.31 125.45 1l7b h LEU 58 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1l7b h LEU 58 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1l7b h LEU 58 CO 0.00 0.00 -0.07 -0.33 0.09 0.00 0.00 178.44 178.13 1l7b h GLU 59 N 0.00 -0.20 0.06 1.13 3.07 -1.68 -2.75 114.58 114.21 1l7b h GLU 59 Ca 0.04 0.01 -0.25 0.00 -0.50 0.00 0.00 59.36 58.66 1l7b h GLU 59 Cb 1.03 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1l7b h GLU 59 CO -0.00 -0.13 -1.20 -0.22 -1.40 0.00 0.00 179.01 176.05 1l7b h LYS 60 N -0.83 0.14 -0.68 2.33 3.64 -1.61 -2.70 116.57 116.85 1l7b h LYS 60 Ca -0.02 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1l7b h LYS 60 Cb 0.16 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1l7b h LYS 60 CO 0.03 1.07 0.26 0.00 -2.27 0.00 0.00 179.45 178.54 1l7b h ALA 61 N 0.77 0.89 -0.15 5.00 0.00 0.16 -1.68 119.26 124.25 1l7b h ALA 61 Ca -0.10 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1l7b h ALA 61 Cb 1.89 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1l7b h ALA 61 CO 0.16 0.52 -0.52 0.07 0.00 0.00 0.00 179.25 179.48 1l7b h ARG 62 N 0.97 0.41 -3.51 0.00 0.11 -1.56 -3.45 114.38 107.34 1l7b h ARG 62 Ca 0.22 -0.24 0.17 0.00 0.10 0.00 0.00 59.98 60.23 1l7b h ARG 62 Cb 0.23 0.02 -0.09 0.00 1.11 0.00 0.00 29.97 31.24 1l7b h ARG 62 CO -0.02 0.83 -1.06 0.00 0.10 0.00 0.00 179.97 179.82 1l7b n ALA 63 N -2.49 -2.81 -1.39 0.08 0.00 -0.63 -4.83 120.51 108.44 1l7b n ALA 63 Ca -0.02 0.68 0.07 0.00 0.00 0.00 0.00 53.44 54.17 1l7b n ALA 63 Cb 0.57 -1.47 0.12 0.00 0.00 0.00 0.00 19.45 18.67 1l7b n ALA 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1l7b n LEU 64 N -3.47 1.86 0.00 0.00 7.94 -1.26 -4.83 117.00 117.23 1l7b n LEU 64 Ca -0.05 -2.72 0.00 0.00 -1.11 0.00 0.00 56.01 52.13 1l7b n LEU 64 Cb 0.55 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.16 1l7b n LEU 64 CO 0.02 0.70 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 1l7b n GLY 65 N -1.02 0.71 3.86 -3.96 0.00 -1.26 -5.13 105.19 98.38 1l7b n GLY 65 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1l7b n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l7b s VAL 66 N 0.00 4.69 0.28 1.61 -7.23 -1.26 -5.06 120.40 113.43 1l7b s VAL 66 Ca 0.00 0.86 -0.20 0.00 -1.81 0.00 0.00 61.98 60.84 1l7b s VAL 66 Cb 0.00 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.15 1l7b s VAL 66 CO 0.00 -0.50 0.78 -2.16 -0.31 0.00 0.00 175.10 172.92 1l7b s PRO 67 N -3.72 4.24 -0.07 4.82 0.04 -1.26 -4.74 135.00 134.30 1l7b s PRO 67 Ca 0.54 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1l7b s PRO 67 Cb -0.10 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1l7b s PRO 67 CO 0.28 0.27 -0.14 0.95 0.04 0.00 0.00 177.00 178.41 1l7b s THR 68 N -1.72 1.28 -0.23 1.26 -4.23 -1.26 -3.93 115.64 106.81 1l7b s THR 68 Ca 0.49 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 1l7b s THR 68 Cb -0.15 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 1l7b s THR 68 CO 0.20 0.39 0.17 -0.76 -0.54 0.00 0.00 174.62 174.08 1l7b s LEU 69 N 0.67 4.14 0.48 4.79 1.43 -0.53 -4.86 118.68 124.80 1l7b s LEU 69 Ca -0.14 0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 1l7b s LEU 69 Cb -0.16 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 1l7b s LEU 69 CO 0.04 0.08 1.40 -0.89 0.23 0.00 0.00 176.35 177.20 1l7b s THR 70 N 0.93 2.11 -0.17 5.49 2.01 -1.26 -2.64 115.64 122.11 1l7b s THR 70 Ca 0.09 0.09 0.26 0.00 0.31 0.00 0.00 61.69 62.44 1l7b s THR 70 Cb -0.13 -3.05 0.32 0.00 0.01 0.00 0.00 72.50 69.65 1l7b s THR 70 CO 0.03 0.01 1.75 -0.08 -0.69 0.00 0.00 174.62 175.64 1l7b h GLU 71 N 2.08 0.00 -0.85 4.92 4.81 -1.84 -3.20 114.58 120.50 1l7b h GLU 71 Ca -0.51 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 58.94 1l7b h GLU 71 Cb 1.27 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.52 1l7b h GLU 71 CO 0.60 0.07 0.22 0.93 -0.73 0.00 0.00 179.01 180.09 1l7b h GLU 72 N 0.00 0.22 -0.77 1.92 3.07 -1.90 0.72 114.58 117.83 1l7b h GLU 72 Ca -0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1l7b h GLU 72 Cb 0.84 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 1l7b h GLU 72 CO 0.01 0.14 0.32 1.49 -1.40 0.00 0.00 179.01 179.57 1l7b h GLU 73 N 0.22 1.14 -0.46 2.33 4.81 -1.95 -0.82 114.58 119.85 1l7b h GLU 73 Ca 0.52 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.59 1l7b h GLU 73 Cb 1.00 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1l7b h GLU 73 CO -0.62 0.93 0.22 1.25 -0.73 0.00 0.00 179.01 180.05 1l7b h LEU 74 N 1.11 0.30 -1.24 1.64 5.85 0.22 -0.24 115.31 122.95 1l7b h LEU 74 Ca 0.26 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1l7b h LEU 74 Cb 0.20 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1l7b h LEU 74 CO -0.02 0.22 -0.07 1.88 -0.34 0.00 0.00 178.44 180.10 1l7b h TYR 75 N 0.44 0.45 0.00 1.25 0.05 -0.68 -0.15 116.97 118.33 1l7b h TYR 75 Ca 0.21 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1l7b h TYR 75 Cb 0.13 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1l7b h TYR 75 CO -0.11 0.51 0.00 -2.13 -1.05 0.00 0.00 178.16 175.38 1l7b n ARG 76 N -4.25 0.00 -0.27 4.88 0.63 -0.21 0.02 116.66 117.45 1l7b n ARG 76 Ca 0.01 0.25 0.21 0.00 -0.92 0.00 0.00 57.85 57.40 1l7b n ARG 76 Cb 0.27 -1.17 0.53 0.00 0.45 0.00 0.00 32.46 32.54 1l7b n ARG 76 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1l7b h LEU 77 N 0.00 0.38 0.49 6.15 -0.00 -1.32 -1.03 115.31 119.98 1l7b h LEU 77 Ca 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1l7b h LEU 77 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1l7b h LEU 77 CO 0.00 0.13 -0.23 0.25 -0.00 0.00 0.00 178.44 178.58 1l7b h LEU 78 N 0.37 -0.55 -1.79 1.67 6.46 -0.97 0.95 115.31 121.44 1l7b h LEU 78 Ca 0.51 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 58.51 1l7b h LEU 78 Cb 1.33 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.37 1l7b h LEU 78 CO -0.19 -0.33 0.74 -0.33 -0.62 0.00 0.00 178.44 177.70 1l7b h GLU 79 N -0.79 0.00 0.00 1.25 5.08 0.25 0.26 114.58 120.63 1l7b h GLU 79 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1l7b h GLU 79 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1l7b h GLU 79 CO 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 178.05 1l7b h ALA 80 N 1.27 0.00 -0.95 3.43 0.00 -0.85 -1.46 119.26 120.71 1l7b h ALA 80 Ca 0.37 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1l7b h ALA 80 Cb 1.84 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.52 1l7b h ALA 80 CO -0.00 0.07 -0.13 -0.09 0.00 0.00 0.00 179.25 179.09 1l7b h ARG 81 N -0.45 0.01 0.12 0.00 1.12 0.17 0.43 114.38 115.78 1l7b h ARG 81 Ca 0.00 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1l7b h ARG 81 Cb 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1l7b h ARG 81 CO 0.00 0.01 -0.06 1.79 -3.11 0.00 0.00 179.97 178.60 1l7b h THR 82 N 0.01 1.04 0.00 0.20 1.35 -0.66 -3.47 112.91 111.38 1l7b h THR 82 Ca 0.50 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1l7b h THR 82 Cb 0.87 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1l7b h THR 82 CO -0.94 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 175.10 1l7b n GLY 83 N -0.34 0.61 3.23 5.82 0.00 0.15 -5.05 105.19 109.62 1l7b n GLY 83 Ca -0.09 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1l7b n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1l7b s LYS 84 N -1.10 0.79 -0.57 1.61 2.47 -1.23 -5.04 119.74 116.67 1l7b s LYS 84 Ca 0.00 -0.55 -0.26 0.00 -1.56 0.00 0.00 55.97 53.60 1l7b s LYS 84 Cb 0.00 0.34 -0.08 0.00 -1.46 0.00 0.00 37.83 36.63 1l7b s LYS 84 CO 0.00 -0.25 2.34 -1.59 0.16 0.00 0.00 175.35 176.01 1l7b s LYS 85 N -2.62 2.07 0.42 4.03 -2.85 -1.26 -4.77 119.74 114.75 1l7b s LYS 85 Ca -0.05 1.12 0.10 0.00 -1.00 0.00 0.00 55.97 56.15 1l7b s LYS 85 Cb -0.01 -4.61 0.93 0.00 -2.06 0.00 0.00 37.83 32.08 1l7b s LYS 85 CO -0.04 -3.45 2.00 0.00 0.10 0.00 0.00 175.35 173.96 1l7b h ALA 86 N 17.69 1.87 -0.03 0.59 0.00 -1.94 -0.30 119.26 137.13 1l7b h ALA 86 Ca -0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1l7b h ALA 86 Cb 1.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1l7b h ALA 86 CO 1.14 0.04 -0.57 0.93 0.00 0.00 0.00 179.25 180.79 1l7b h GLU 87 N 0.51 0.10 -1.72 0.00 5.08 -1.91 -3.46 114.58 113.18 1l7b h GLU 87 Ca 0.24 -0.07 -0.36 0.00 -1.00 0.00 0.00 59.36 58.18 1l7b h GLU 87 Cb 0.31 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.46 1l7b h GLU 87 CO -0.07 0.64 -0.36 0.39 -1.00 0.00 0.00 179.01 178.61 1l7b n GLU 88 N -3.88 -1.52 0.00 2.33 1.02 -0.13 -4.64 120.64 113.83 1l7b n GLU 88 Ca -0.02 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1l7b n GLU 88 Cb 0.58 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1l7b n GLU 88 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1l7b n LEU 89 N -2.37 0.12 -4.44 -4.62 7.94 -1.26 -5.04 117.00 107.33 1l7b n LEU 89 Ca -0.18 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.36 1l7b n LEU 89 Cb 0.60 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.42 1l7b n LEU 89 CO 0.26 0.02 -0.31 -0.69 -1.11 0.00 0.00 177.39 175.56 1l7b s VAL 90 N -1.17 4.07 0.00 1.96 1.01 -1.26 -5.04 120.40 119.97 1l7b s VAL 90 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1l7b s VAL 90 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1l7b s VAL 90 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1l7b n GLY 91 N 4.51 -0.71 0.00 4.51 0.00 -1.26 -4.92 105.19 107.32 1l7b n GLY 91 Ca -0.17 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1l7b n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06