#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 -0.31 2.12 2.13 -1.26 -4.88 120.64 118.44 1l7b n GLU 2 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1l7b n GLU 2 Cb 0.00 -0.02 0.17 0.00 0.27 0.00 0.00 31.44 31.86 1l7b n GLU 2 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1l7b n LYS 3 N -0.52 2.34 -0.31 5.31 4.76 -1.26 -4.38 118.16 124.11 1l7b n LYS 3 Ca 0.00 -1.36 0.35 0.00 -2.87 0.00 0.00 58.31 54.43 1l7b n LYS 3 Cb 0.00 -1.58 0.71 0.00 -1.84 0.00 0.00 35.03 32.32 1l7b n LYS 3 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1l7b h GLY 4 N 4.88 0.00 0.00 0.72 0.00 -2.11 -3.45 103.07 103.11 1l7b h GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1l7b h GLY 4 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.27 1l7b n GLY 5 N -1.75 0.45 2.01 4.60 0.00 -1.26 -5.10 105.19 104.14 1l7b n GLY 5 Ca 0.26 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1l7b n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l7b n GLU 6 N -1.39 0.00 0.00 1.61 0.00 -1.26 -5.10 120.64 114.50 1l7b n GLU 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1l7b n GLU 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1l7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1l7b n ALA 7 N -3.37 0.00 -1.82 4.31 0.00 -1.26 -2.59 120.51 115.78 1l7b n ALA 7 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1l7b n ALA 7 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 1.26 0.00 0.00 -0.00 -1.26 -4.99 117.00 112.01 1l7b n LEU 8 Ca 0.00 -2.22 -0.25 0.00 -0.00 0.00 0.00 56.01 53.54 1l7b n LEU 8 Cb 0.00 -0.19 0.15 0.00 -0.00 0.00 0.00 43.42 43.37 1l7b n LEU 8 CO 0.00 0.61 0.66 0.29 -0.00 0.00 0.00 177.39 178.95 1l7b n LYS 9 N -0.42 -0.52 -0.16 1.47 5.02 -1.07 -4.24 118.16 118.25 1l7b n LYS 9 Ca 0.08 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.94 1l7b n LYS 9 Cb 0.79 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1l7b n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l7b n GLY 10 N -2.87 2.56 3.60 0.72 0.00 -1.26 -4.98 105.19 102.96 1l7b n GLY 10 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 3.12 -0.10 0.99 1.43 -1.26 -5.00 118.68 117.86 1l7b s LEU 11 Ca 0.00 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1l7b s LEU 11 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1l7b s LEU 11 CO 0.00 0.18 -0.01 -0.89 0.23 0.00 0.00 176.35 175.85 1l7b s THR 12 N -1.23 4.15 -0.15 5.49 2.01 -1.26 -2.22 115.64 122.43 1l7b s THR 12 Ca 0.22 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1l7b s THR 12 Cb -0.11 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1l7b s THR 12 CO 0.14 0.58 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.09 1l7b s PHE 13 N -0.60 2.71 0.13 4.92 0.08 0.26 -4.70 117.98 120.78 1l7b s PHE 13 Ca 0.10 -1.31 0.11 0.00 0.12 0.00 0.00 56.93 55.95 1l7b s PHE 13 Cb -0.12 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1l7b s PHE 13 CO 0.02 -0.61 -0.26 0.08 -0.10 0.00 0.00 175.22 174.36 1l7b s VAL 14 N 0.89 2.33 -0.22 -0.44 1.01 -0.82 -0.59 120.40 122.55 1l7b s VAL 14 Ca -0.05 -1.72 -0.06 0.00 0.00 0.00 0.00 61.98 60.15 1l7b s VAL 14 Cb -0.15 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1l7b s VAL 14 CO -0.03 0.10 0.02 -0.63 0.00 0.00 0.00 175.10 174.56 1l7b s ILE 15 N -1.06 3.99 -0.50 2.22 -1.09 -1.05 -2.02 121.20 121.68 1l7b s ILE 15 Ca 0.14 -0.29 -0.27 0.00 -2.23 0.00 0.00 60.65 58.00 1l7b s ILE 15 Cb -0.10 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 1l7b s ILE 15 CO 0.06 0.39 1.88 -0.89 -1.23 0.00 0.00 174.94 175.15 1l7b s THR 16 N 1.32 3.38 -0.31 2.92 2.01 -1.26 -3.51 115.64 120.19 1l7b s THR 16 Ca 0.04 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1l7b s THR 16 Cb -0.15 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.63 1l7b s THR 16 CO 0.01 -0.67 0.10 0.61 -0.69 0.00 0.00 174.62 173.99 1l7b n GLY 17 N 5.62 -0.41 0.72 4.40 0.00 -1.25 -3.56 105.19 110.71 1l7b n GLY 17 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.38 0.00 0.00 1.61 1.02 -1.23 -5.00 120.64 114.66 1l7b n GLU 18 Ca 0.02 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1l7b n GLU 18 Cb 0.41 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 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 -3.07 -4.62 4.32 -1.23 -4.22 117.00 108.18 1l7b n LEU 19 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 1l7b n LEU 19 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1l7b n LEU 19 CO 0.00 -0.59 1.58 -0.24 -1.22 0.00 0.00 177.39 176.92 1l7b n SER 20 N -1.92 7.38 -3.97 -1.43 2.88 -1.26 -4.62 113.62 110.68 1l7b n SER 20 Ca 0.00 -3.67 -0.09 0.00 -1.33 0.00 0.00 58.87 53.78 1l7b n SER 20 Cb 0.00 -1.14 -0.05 0.00 -0.75 0.00 0.00 64.21 62.27 1l7b n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l7b s ARG 21 N -3.62 1.53 0.00 -1.46 1.70 -1.26 -4.32 118.95 111.52 1l7b s ARG 21 Ca 0.50 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1l7b s ARG 21 Cb 0.35 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 35.21 1l7b s ARG 21 CO -0.30 -0.64 0.74 -0.35 -1.08 0.00 0.00 175.30 173.67 1l7b n PRO 22 N -0.38 0.40 0.03 3.89 -0.04 -1.26 -4.53 135.00 133.11 1l7b n PRO 22 Ca -0.03 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.44 1l7b n PRO 22 Cb 0.62 -1.30 0.03 0.00 -0.04 0.00 0.00 33.50 32.81 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 1.67 0.01 -0.06 0.54 1.85 -1.26 -0.75 116.66 118.66 1l7b n ARG 23 Ca 0.00 0.20 -0.04 0.00 -1.00 0.00 0.00 57.85 57.00 1l7b n ARG 23 Cb 0.20 -1.95 -0.04 0.00 -1.05 0.00 0.00 32.46 29.62 1l7b n ARG 23 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1l7b h GLU 24 N 0.00 0.00 -0.37 2.89 4.39 -1.99 -2.05 114.58 117.45 1l7b h GLU 24 Ca 0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1l7b h GLU 24 Cb 0.85 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.43 1l7b h GLU 24 CO 0.00 0.26 -0.13 0.93 -1.16 0.00 0.00 179.01 178.91 1l7b h GLU 25 N -1.00 -0.05 0.00 2.33 4.39 -1.33 0.38 114.58 119.29 1l7b h GLU 25 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1l7b h GLU 25 Cb 0.33 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1l7b h GLU 25 CO -0.01 -0.03 -0.11 -0.24 -1.16 0.00 0.00 179.01 177.46 1l7b h VAL 26 N -0.05 0.93 -0.74 3.13 3.04 -1.64 -1.59 116.25 119.33 1l7b h VAL 26 Ca 0.18 -0.39 0.01 0.00 -1.01 0.00 0.00 66.70 65.50 1l7b h VAL 26 Cb 0.33 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.79 1l7b h VAL 26 CO -0.41 0.11 0.49 0.50 -1.01 0.00 0.00 177.57 177.24 1l7b h LYS 27 N 0.00 0.95 -0.27 4.17 1.63 0.50 2.09 116.57 125.64 1l7b h LYS 27 Ca -0.00 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.61 1l7b h LYS 27 Cb 0.21 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1l7b h LYS 27 CO 0.01 0.63 -0.39 0.00 -3.45 0.00 0.00 179.45 176.25 1l7b h ALA 28 N 1.55 0.81 0.00 5.00 0.00 -0.84 0.11 119.26 125.88 1l7b h ALA 28 Ca 0.27 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1l7b h ALA 28 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1l7b h ALA 28 CO -0.06 0.65 -0.67 -0.07 0.00 0.00 0.00 179.25 179.09 1l7b h LEU 29 N 0.53 0.00 0.01 0.00 4.07 -1.01 -2.97 115.31 115.94 1l7b h LEU 29 Ca 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1l7b h LEU 29 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1l7b h LEU 29 CO 0.08 0.55 -0.00 0.25 -1.08 0.00 0.00 178.44 178.23 1l7b h LEU 30 N 0.00 -0.01 -0.56 1.67 5.85 0.36 -1.99 115.31 120.63 1l7b h LEU 30 Ca -0.03 -0.75 0.01 0.00 0.84 0.00 0.00 57.88 57.95 1l7b h LEU 30 Cb 1.44 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1l7b h LEU 30 CO 0.07 0.76 0.37 -0.09 -0.34 0.00 0.00 178.44 179.20 1l7b h ARG 31 N -0.80 0.72 -0.16 1.25 2.43 -1.10 0.03 114.38 116.76 1l7b h ARG 31 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1l7b h ARG 31 Cb 0.76 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1l7b h ARG 31 CO 0.00 0.48 0.10 -0.09 -1.51 0.00 0.00 179.97 178.95 1l7b h ARG 32 N 0.74 0.21 -0.04 0.20 2.43 -1.59 -1.68 114.38 114.65 1l7b h ARG 32 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1l7b h ARG 32 Cb -0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1l7b h ARG 32 CO -0.05 0.14 0.00 -0.11 -1.51 0.00 0.00 179.97 178.44 1l7b n LEU 33 N -4.51 0.04 0.00 3.80 7.94 -0.00 -4.77 117.00 119.50 1l7b n LEU 33 Ca -0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1l7b n LEU 33 Cb 0.08 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1l7b n LEU 33 CO 0.35 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 1l7b n GLY 34 N -0.15 0.75 3.68 -3.96 0.00 -0.63 -4.67 105.19 100.21 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 n ALA 35 N 0.00 0.98 -1.79 4.61 0.00 -1.26 -4.80 120.51 118.25 1l7b n ALA 35 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 1l7b n ALA 35 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.20 1l7b n ALA 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1l7b s LYS 36 N -2.20 3.95 0.23 0.00 2.20 -0.94 -4.51 119.74 118.47 1l7b s LYS 36 Ca 0.62 1.45 0.07 0.00 -0.36 0.00 0.00 55.97 57.75 1l7b s LYS 36 Cb -0.52 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.45 1l7b s LYS 36 CO 0.57 -0.32 -0.10 0.14 -0.36 0.00 0.00 175.35 175.28 1l7b s VAL 37 N -1.82 1.63 0.00 4.02 -7.23 -1.26 -0.57 120.40 115.17 1l7b s VAL 37 Ca 0.63 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1l7b s VAL 37 Cb -0.19 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1l7b s VAL 37 CO 0.24 -0.47 0.00 0.41 -0.31 0.00 0.00 175.10 174.97 1l7b n THR 38 N -0.45 0.00 -0.67 5.32 -1.04 0.24 -4.84 114.28 112.84 1l7b n THR 38 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1l7b n THR 38 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1l7b n THR 38 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1l7b n ASP 39 N -0.87 0.00 -4.59 8.00 5.68 -1.26 -2.54 116.55 120.97 1l7b n ASP 39 Ca 0.00 -0.13 -0.32 0.00 -0.50 0.00 0.00 54.79 53.84 1l7b n ASP 39 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1l7b n ASP 39 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1l7b s SER 40 N 0.00 3.83 -0.01 -1.12 0.15 -1.26 -3.89 113.70 111.40 1l7b s SER 40 Ca 0.00 -1.70 -0.09 0.00 0.70 0.00 0.00 55.95 54.86 1l7b s SER 40 Cb 0.00 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1l7b s SER 40 CO 0.00 -0.92 0.19 0.68 1.20 0.00 0.00 173.24 174.39 1l7b s VAL 41 N -2.97 0.07 0.00 4.45 -7.23 -1.26 -4.81 120.40 108.65 1l7b s VAL 41 Ca 0.07 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1l7b s VAL 41 Cb 0.01 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1l7b s VAL 41 CO 0.05 -0.31 0.00 -1.54 -0.31 0.00 0.00 175.10 172.99 1l7b n SER 42 N 1.57 0.00 0.01 4.85 3.41 -1.18 -5.04 113.62 117.25 1l7b n SER 42 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1l7b n SER 42 Cb 0.56 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1l7b n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1l7b n ARG 43 N -2.07 0.00 0.22 4.33 3.00 -1.26 -4.92 116.66 115.96 1l7b n ARG 43 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 1l7b n ARG 43 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 32.46 33.08 1l7b n ARG 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1l7b h LYS 44 N 0.00 0.05 -5.17 -0.14 1.57 -2.02 -3.38 116.57 107.48 1l7b h LYS 44 Ca 0.00 -0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1l7b h LYS 44 Cb 0.00 -0.01 -0.25 0.00 0.08 0.00 0.00 32.23 32.05 1l7b h LYS 44 CO 0.00 0.03 -0.71 0.99 -0.57 0.00 0.00 179.45 179.19 1l7b s THR 45 N -5.11 3.49 -0.07 -0.16 2.01 -1.26 -4.93 115.64 109.61 1l7b s THR 45 Ca -0.05 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1l7b s THR 45 Cb 0.17 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.23 1l7b s THR 45 CO 0.68 0.47 0.88 -1.54 -0.69 0.00 0.00 174.62 174.42 1l7b n SER 46 N 4.07 -0.82 -4.55 3.53 3.41 -1.26 -3.08 113.62 114.92 1l7b n SER 46 Ca -0.18 -1.57 -0.34 0.00 -0.26 0.00 0.00 58.87 56.52 1l7b n SER 46 Cb 0.52 0.30 -0.12 0.00 -0.26 0.00 0.00 64.21 64.65 1l7b n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1l7b s TYR 47 N 0.03 2.98 -0.10 7.33 1.51 -1.25 -3.90 117.35 123.95 1l7b s TYR 47 Ca 0.02 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 1l7b s TYR 47 Cb 0.10 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1l7b s TYR 47 CO -0.03 0.17 -0.22 -1.17 -1.11 0.00 0.00 175.55 173.20 1l7b s LEU 48 N -0.30 2.23 -0.39 -1.29 0.20 -1.26 -1.95 118.68 115.92 1l7b s LEU 48 Ca 0.05 -0.50 -0.27 0.00 0.69 0.00 0.00 54.13 54.11 1l7b s LEU 48 Cb -0.13 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.21 1l7b s LEU 48 CO 0.02 0.18 0.97 -0.69 -0.29 0.00 0.00 176.35 176.55 1l7b s VAL 49 N 0.22 4.51 1.04 1.68 1.01 -0.86 -1.85 120.40 126.16 1l7b s VAL 49 Ca -0.14 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 1l7b s VAL 49 Cb -0.17 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.86 1l7b s VAL 49 CO 0.07 -0.64 0.01 0.52 0.00 0.00 0.00 175.10 175.07 1l7b n VAL 50 N 6.15 0.00 0.00 2.92 0.31 -1.11 -4.76 118.33 121.84 1l7b n VAL 50 Ca 0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1l7b n VAL 50 Cb 0.48 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 2.00 3.38 0.00 2.92 0.00 -1.26 -4.32 105.19 107.91 1l7b n GLY 51 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.54 0.02 1.61 4.07 -1.26 -5.05 120.64 121.57 1l7b n GLU 52 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1l7b n GLU 52 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1l7b n GLU 52 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1l7b n ASN 53 N 0.00 0.94 -0.49 4.31 2.85 -1.26 -4.69 115.26 116.92 1l7b n ASN 53 Ca 0.00 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1l7b n ASN 53 Cb 0.00 -0.30 0.00 0.00 1.24 0.00 0.00 39.78 40.72 1l7b n ASN 53 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1l7b n PRO 54 N -3.47 0.83 -1.88 1.20 -0.04 -1.26 -4.88 135.00 125.51 1l7b n PRO 54 Ca -0.02 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 1l7b n PRO 54 Cb 0.18 -1.41 0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.19 2.39 0.00 0.55 0.00 -1.26 -4.59 107.32 104.22 1l7b s GLY 55 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 44.72 45.52 1l7b s GLY 55 CO 0.00 1.10 1.07 -1.26 0.00 0.00 0.00 173.10 174.01 1l7b n SER 56 N -2.05 0.00 -0.04 1.64 2.88 -1.26 -2.73 113.62 112.06 1l7b n SER 56 Ca 0.12 0.24 0.24 0.00 -1.33 0.00 0.00 58.87 58.14 1l7b n SER 56 Cb 0.51 -0.32 0.71 0.00 -0.75 0.00 0.00 64.21 64.37 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 -0.96 -1.46 2.10 -1.87 -1.18 116.57 113.20 1l7b h LYS 57 Ca 0.00 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.93 1l7b h LYS 57 Cb 0.07 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.36 1l7b h LYS 57 CO 0.00 0.00 0.95 -0.07 -2.00 0.00 0.00 179.45 178.33 1l7b h LEU 58 N 0.00 0.00 0.00 7.07 3.38 -1.85 2.08 115.31 125.99 1l7b h LEU 58 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1l7b h LEU 58 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1l7b h LEU 58 CO -0.00 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.20 1l7b h GLU 59 N 0.00 -0.00 -0.09 1.13 3.07 -1.52 -2.77 114.58 114.39 1l7b h GLU 59 Ca 0.45 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.12 1l7b h GLU 59 Cb 2.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.25 1l7b h GLU 59 CO -0.00 -0.00 -0.75 -0.22 -1.40 0.00 0.00 179.01 176.63 1l7b h LYS 60 N -0.64 0.50 -0.63 2.33 3.64 -1.53 -2.76 116.57 117.47 1l7b h LYS 60 Ca -0.00 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1l7b h LYS 60 Cb 0.00 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1l7b h LYS 60 CO 0.00 1.04 0.31 0.00 -2.27 0.00 0.00 179.45 178.53 1l7b h ALA 61 N 0.84 0.81 -0.76 5.00 0.00 0.32 -1.63 119.26 123.84 1l7b h ALA 61 Ca -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1l7b h ALA 61 Cb 1.34 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1l7b h ALA 61 CO 0.13 0.37 0.36 0.00 0.00 0.00 0.00 179.25 180.12 1l7b h ARG 62 N 0.87 1.09 -5.58 0.00 3.08 -1.47 -3.46 114.38 108.91 1l7b h ARG 62 Ca 0.22 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1l7b h ARG 62 Cb 0.11 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1l7b h ARG 62 CO -0.03 0.84 -0.04 0.00 -1.07 0.00 0.00 179.97 179.68 1l7b n ALA 63 N -2.43 -1.04 0.25 0.04 0.00 -0.61 -4.73 120.51 111.99 1l7b n ALA 63 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1l7b n ALA 63 Cb 0.14 -0.45 0.03 0.00 0.00 0.00 0.00 19.45 19.17 1l7b n ALA 63 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1l7b n LEU 64 N 2.34 4.26 0.00 0.00 -0.00 -1.26 -4.25 117.00 118.09 1l7b n LEU 64 Ca 0.00 -2.14 0.00 0.00 -0.00 0.00 0.00 56.01 53.87 1l7b n LEU 64 Cb 0.02 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 42.75 1l7b n LEU 64 CO 0.00 0.73 0.00 0.61 -0.00 0.00 0.00 177.39 178.73 1l7b n GLY 65 N 0.34 0.46 3.89 1.47 0.00 -1.26 -5.15 105.19 104.94 1l7b n GLY 65 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 4.53 0.09 1.61 -7.23 -1.26 -5.07 120.40 113.07 1l7b s VAL 66 Ca 0.00 0.52 -0.14 0.00 -1.81 0.00 0.00 61.98 60.55 1l7b s VAL 66 Cb 0.00 -3.78 -0.06 0.00 0.56 0.00 0.00 36.38 33.09 1l7b s VAL 66 CO 0.00 -0.92 0.49 -2.16 -0.31 0.00 0.00 175.10 172.19 1l7b s PRO 67 N -5.04 3.94 -0.04 4.82 0.04 -1.25 -4.70 135.00 132.76 1l7b s PRO 67 Ca 0.53 0.43 0.04 0.00 0.04 0.00 0.00 61.00 62.03 1l7b s PRO 67 Cb -0.11 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 1l7b s PRO 67 CO 0.50 0.56 -0.16 0.95 0.04 0.00 0.00 177.00 178.89 1l7b s THR 68 N -1.32 1.34 -0.22 1.26 -4.23 -1.26 -3.82 115.64 107.39 1l7b s THR 68 Ca 0.33 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1l7b s THR 68 Cb -0.16 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 1l7b s THR 68 CO 0.18 0.39 0.06 -0.22 -0.54 0.00 0.00 174.62 174.49 1l7b s LEU 69 N 0.11 3.55 0.41 4.79 0.20 -0.77 -4.82 118.68 122.14 1l7b s LEU 69 Ca -0.05 -0.10 -0.27 0.00 0.69 0.00 0.00 54.13 54.40 1l7b s LEU 69 Cb -0.12 -1.93 -0.09 0.00 -0.43 0.00 0.00 46.19 43.62 1l7b s LEU 69 CO 0.02 0.05 1.40 -0.89 -0.29 0.00 0.00 176.35 176.65 1l7b s THR 70 N 1.11 2.25 -0.24 3.68 2.01 -1.26 -2.74 115.64 120.44 1l7b s THR 70 Ca 0.04 0.23 0.24 0.00 0.31 0.00 0.00 61.69 62.52 1l7b s THR 70 Cb -0.14 -3.14 0.31 0.00 0.01 0.00 0.00 72.50 69.53 1l7b s THR 70 CO 0.03 0.04 1.68 -0.08 -0.69 0.00 0.00 174.62 175.61 1l7b h GLU 71 N 2.70 0.00 -0.31 4.92 4.81 -1.86 -3.27 114.58 121.58 1l7b h GLU 71 Ca -0.50 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1l7b h GLU 71 Cb 1.25 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1l7b h GLU 71 CO 0.63 0.09 -0.12 0.93 -0.73 0.00 0.00 179.01 179.80 1l7b h GLU 72 N 0.00 -0.06 -0.79 1.92 3.07 -1.90 0.15 114.58 116.97 1l7b h GLU 72 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1l7b h GLU 72 Cb 0.93 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 1l7b h GLU 72 CO 0.01 -0.04 0.51 1.49 -1.40 0.00 0.00 179.01 179.59 1l7b h GLU 73 N -0.06 0.67 -0.70 2.33 4.81 -1.96 -0.33 114.58 119.33 1l7b h GLU 73 Ca 0.15 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1l7b h GLU 73 Cb 0.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1l7b h GLU 73 CO -0.35 0.44 0.37 1.25 -0.73 0.00 0.00 179.01 179.99 1l7b h LEU 74 N 0.69 0.89 -1.41 1.64 5.85 -0.89 -1.84 115.31 120.24 1l7b h LEU 74 Ca 0.37 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1l7b h LEU 74 Cb 0.50 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1l7b h LEU 74 CO -0.14 0.74 -0.11 1.88 -0.34 0.00 0.00 178.44 180.48 1l7b h TYR 75 N 0.97 0.27 0.00 1.25 0.05 -0.07 -0.38 116.97 119.06 1l7b h TYR 75 Ca 0.24 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1l7b h TYR 75 Cb 0.07 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1l7b h TYR 75 CO -0.00 0.37 0.00 -2.13 -1.05 0.00 0.00 178.16 175.35 1l7b n ARG 76 N -4.28 0.00 0.19 4.88 3.00 -0.72 -0.94 116.66 118.79 1l7b n ARG 76 Ca -0.01 0.21 0.18 0.00 -0.00 0.00 0.00 57.85 58.24 1l7b n ARG 76 Cb 0.26 -1.10 0.79 0.00 0.00 0.00 0.00 32.46 32.41 1l7b n ARG 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1l7b h LEU 77 N 0.00 0.00 0.00 6.15 3.38 -1.55 -1.70 115.31 121.58 1l7b h LEU 77 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1l7b h LEU 77 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1l7b h LEU 77 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.42 1l7b n LEU 78 N -3.45 0.00 -0.27 1.67 7.94 -0.15 0.60 117.00 123.34 1l7b n LEU 78 Ca 0.03 0.77 0.33 0.00 -1.11 0.00 0.00 56.01 56.03 1l7b n LEU 78 Cb 0.49 -0.50 0.73 0.00 0.53 0.00 0.00 43.42 44.67 1l7b n LEU 78 CO 0.23 -0.50 1.31 -0.08 -1.11 0.00 0.00 177.39 177.23 1l7b h GLU 79 N 0.00 0.00 0.00 1.96 4.22 -0.66 0.40 114.58 120.50 1l7b h GLU 79 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1l7b h GLU 79 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l7b h GLU 79 CO 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 179.01 176.80 1l7b h ALA 80 N 1.33 0.00 -0.77 2.92 0.00 -1.29 0.80 119.26 122.25 1l7b h ALA 80 Ca 0.52 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.53 1l7b h ALA 80 Cb 2.21 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.89 1l7b h ALA 80 CO -0.01 0.03 -0.25 -0.09 0.00 0.00 0.00 179.25 178.93 1l7b h ARG 81 N -0.39 -0.04 0.29 0.00 1.12 0.81 0.09 114.38 116.26 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 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1l7b h ARG 81 CO 0.00 -0.02 -0.14 1.15 -3.11 0.00 0.00 179.97 177.85 1l7b h THR 82 N -0.04 0.74 0.00 0.20 2.02 -0.38 -3.47 112.91 111.98 1l7b h THR 82 Ca 0.34 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1l7b h THR 82 Cb 0.58 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1l7b h THR 82 CO -0.80 0.11 0.00 0.61 0.37 0.00 0.00 175.52 175.80 1l7b n GLY 83 N -0.44 0.67 3.05 2.16 0.00 0.27 -5.06 105.19 105.85 1l7b n GLY 83 Ca -0.10 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.91 0.40 -0.61 1.61 2.20 -1.22 -5.02 119.74 116.18 1l7b s LYS 84 Ca 0.00 -0.43 -0.26 0.00 -0.36 0.00 0.00 55.97 54.92 1l7b s LYS 84 Cb 0.00 0.16 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 1l7b s LYS 84 CO 0.00 -0.09 2.37 -1.59 -0.36 0.00 0.00 175.35 175.69 1l7b s LYS 85 N -1.31 1.95 0.27 4.03 -2.85 -1.26 -4.72 119.74 115.84 1l7b s LYS 85 Ca -0.14 1.01 -0.04 0.00 -1.00 0.00 0.00 55.97 55.80 1l7b s LYS 85 Cb -0.08 -4.66 0.36 0.00 -2.06 0.00 0.00 37.83 31.39 1l7b s LYS 85 CO 0.01 -3.68 1.92 0.00 0.10 0.00 0.00 175.35 173.70 1l7b h ALA 86 N 16.79 1.36 -0.05 0.59 0.00 -1.95 -0.66 119.26 135.33 1l7b h ALA 86 Ca -0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1l7b h ALA 86 Cb 1.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1l7b h ALA 86 CO 1.11 0.56 -0.07 0.93 0.00 0.00 0.00 179.25 181.78 1l7b h GLU 87 N 1.24 0.08 0.00 0.00 3.07 -2.01 -3.45 114.58 113.51 1l7b h GLU 87 Ca 0.38 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1l7b h GLU 87 Cb -0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1l7b h GLU 87 CO -0.11 0.15 0.00 -1.91 -1.40 0.00 0.00 179.01 175.75 1l7b n GLU 88 N -4.41 0.00 0.03 2.33 2.13 -0.26 -2.21 120.64 118.25 1l7b n GLU 88 Ca -0.02 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.81 1l7b n GLU 88 Cb 0.17 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.96 1l7b n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1l7b n LEU 89 N 0.00 0.07 -2.24 4.31 7.94 -1.26 -4.88 117.00 120.94 1l7b n LEU 89 Ca 0.00 0.43 -0.03 0.00 -1.11 0.00 0.00 56.01 55.30 1l7b n LEU 89 Cb 0.00 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 1l7b n LEU 89 CO 0.00 -0.45 -0.48 0.52 -1.11 0.00 0.00 177.39 175.87 1l7b n VAL 90 N -1.51-10.82 0.00 1.96 0.31 -0.94 -5.03 118.33 102.29 1l7b n VAL 90 Ca -0.00 2.29 0.00 0.00 -0.01 0.00 0.00 64.34 66.62 1l7b n VAL 90 Cb 0.13 -5.72 0.00 0.00 -0.91 0.00 0.00 33.84 27.34 1l7b n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7b n GLY 91 N 1.36 -0.28 3.23 2.92 0.00 -1.26 -5.14 105.19 106.02 1l7b n GLY 91 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1l7b n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18