#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7c s VAL 2 N 0.00 3.76 -0.11 1.61 1.01 -1.26 -1.47 120.40 123.94 1o7c s VAL 2 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1o7c s VAL 2 Cb 0.00 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.82 1o7c s VAL 2 CO 0.00 0.55 0.28 -0.31 0.00 0.00 0.00 175.10 175.62 1o7c s TYR 3 N -0.22 -0.33 0.56 5.22 1.51 -0.56 -5.00 117.35 118.52 1o7c s TYR 3 Ca 0.03 0.80 -0.19 0.00 -1.01 0.00 0.00 57.07 56.70 1o7c s TYR 3 Cb -0.13 0.10 -0.05 0.00 -0.11 0.00 0.00 41.96 41.77 1o7c s TYR 3 CO 0.03 -0.18 1.14 -1.58 -1.11 0.00 0.00 175.55 173.84 1o7c s HIS 4 N 0.49 2.63 -0.03 2.71 5.65 -1.26 -1.10 115.29 124.38 1o7c s HIS 4 Ca -0.03 1.54 -0.06 0.00 0.25 0.00 0.00 55.06 56.76 1o7c s HIS 4 Cb -0.04 -3.30 0.01 0.00 -1.18 0.00 0.00 32.58 28.06 1o7c s HIS 4 CO -0.03 -1.66 0.14 1.03 -0.65 0.00 0.00 174.74 173.57 1o7c s ARG 5 N -3.34 0.32 0.00 2.88 1.81 -0.02 -4.82 118.95 115.77 1o7c s ARG 5 Ca 0.73 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.64 1o7c s ARG 5 Cb -0.24 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.39 1o7c s ARG 5 CO 0.29 -0.06 0.00 -0.85 -0.68 0.00 0.00 175.30 173.99 1o7c n GLU 6 N 2.25 2.00 -3.87 3.54 0.00 -1.26 -0.80 120.64 122.49 1o7c n GLU 6 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.71 1o7c n GLU 6 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.98 1o7c n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7c s ALA 7 N -2.00 3.94 0.20 -1.84 0.00 -1.24 -4.84 121.76 115.98 1o7c s ALA 7 Ca 0.00 -0.93 0.33 0.00 0.00 0.00 0.00 51.96 51.36 1o7c s ALA 7 Cb 0.00 -1.85 1.76 0.00 0.00 0.00 0.00 23.12 23.03 1o7c s ALA 7 CO 0.00 0.59 2.01 0.00 0.00 0.00 0.00 175.76 178.36 1o7c h ARG 8 N 2.35 0.00 0.00 0.00 -0.00 -2.01 -1.17 114.38 113.54 1o7c h ARG 8 Ca -0.47 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 58.82 1o7c h ARG 8 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.12 1o7c h ARG 8 CO 0.70 0.00 -2.13 -1.13 0.00 0.00 0.00 179.97 177.41 1o7c n SER 9 N -2.68 0.31 0.00 7.04 3.41 -1.26 -5.09 113.62 115.34 1o7c n SER 9 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1o7c n SER 9 Cb 0.07 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o7c n GLY 10 N 1.59 3.53 3.63 5.00 0.00 -0.44 -5.11 105.19 113.39 1o7c n GLY 10 Ca -0.18 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1o7c n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7c n LYS 11 N -1.88 0.67 -3.08 1.61 4.81 -1.26 -3.64 118.16 115.39 1o7c n LYS 11 Ca 0.00 0.28 -0.13 0.00 -0.87 0.00 0.00 58.31 57.59 1o7c n LYS 11 Cb 0.00 -2.26 0.07 0.00 0.02 0.00 0.00 35.03 32.86 1o7c n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1o7c n TYR 12 N -2.27 -1.97 -1.73 5.64 4.01 -1.19 -4.91 117.16 114.74 1o7c n TYR 12 Ca 0.14 0.75 0.00 0.00 -0.16 0.00 0.00 57.90 58.63 1o7c n TYR 12 Cb 0.49 -4.21 0.00 0.00 -0.31 0.00 0.00 39.34 35.31 1o7c n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1o7c n LYS 13 N -3.27 0.00 -4.10 -0.72 5.02 -1.09 -4.43 118.16 109.57 1o7c n LYS 13 Ca -0.14 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.78 1o7c n LYS 13 Cb 0.62 -0.14 -0.09 0.00 -0.02 0.00 0.00 35.03 35.40 1o7c n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7c s LEU 14 N 0.00 3.84 0.04 -0.35 1.43 -0.56 -4.79 118.68 118.30 1o7c s LEU 14 Ca 0.00 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1o7c s LEU 14 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1o7c s LEU 14 CO 0.00 0.28 0.08 0.42 0.23 0.00 0.00 176.35 177.36 1o7c s THR 15 N -0.28 4.60 0.30 5.49 -4.23 -1.25 -1.32 115.64 118.95 1o7c s THR 15 Ca 0.08 -0.62 0.19 0.00 -1.18 0.00 0.00 61.69 60.16 1o7c s THR 15 Cb -0.12 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 70.86 1o7c s THR 15 CO 0.02 0.22 1.21 0.00 -0.54 0.00 0.00 174.62 175.53 1o7c n TYR 16 N 0.77 0.78 -0.05 3.99 9.36 -1.20 0.23 117.16 131.03 1o7c n TYR 16 Ca -0.10 0.79 -0.14 0.00 3.32 0.00 0.00 57.90 61.76 1o7c n TYR 16 Cb 0.52 -1.20 -0.07 0.00 -0.63 0.00 0.00 39.34 37.96 1o7c n TYR 16 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1o7c h ALA 17 N 1.43 0.26 -0.03 2.98 0.00 -1.94 -2.55 119.26 119.42 1o7c h ALA 17 Ca 0.66 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1o7c h ALA 17 Cb 1.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1o7c h ALA 17 CO -0.51 0.31 -0.13 0.93 0.00 0.00 0.00 179.25 179.85 1o7c h GLU 18 N 0.16 0.14 -0.73 0.00 5.08 0.25 -2.47 114.58 117.01 1o7c h GLU 18 Ca 0.01 -0.11 0.15 0.00 -1.00 0.00 0.00 59.36 58.40 1o7c h GLU 18 Cb 0.93 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.10 1o7c h GLU 18 CO 0.07 0.76 0.19 0.00 -1.00 0.00 0.00 179.01 179.04 1o7c h ALA 19 N 0.38 0.95 0.40 3.43 0.00 0.54 -1.92 119.26 123.04 1o7c h ALA 19 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1o7c h ALA 19 Cb 0.78 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1o7c h ALA 19 CO 0.03 -0.32 -0.19 -0.22 0.00 0.00 0.00 179.25 178.55 1o7c h LYS 20 N 0.30 -0.52 -1.14 0.00 3.64 -1.50 -2.68 116.57 114.66 1o7c h LYS 20 Ca 0.41 0.04 0.40 0.00 -1.27 0.00 0.00 60.65 60.22 1o7c h LYS 20 Cb 0.68 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.47 1o7c h LYS 20 CO -0.48 -0.21 0.69 0.00 -2.27 0.00 0.00 179.45 177.17 1o7c h ALA 21 N -0.42 2.37 -0.00 5.00 0.00 -0.92 0.61 119.26 125.90 1o7c h ALA 21 Ca -0.06 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1o7c h ALA 21 Cb 0.55 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1o7c h ALA 21 CO 0.09 -1.04 -0.00 0.28 0.00 0.00 0.00 179.25 178.57 1o7c h VAL 22 N 0.12 1.42 0.14 0.00 2.07 -1.26 0.15 116.25 118.89 1o7c h VAL 22 Ca 0.81 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1o7c h VAL 22 Cb 2.25 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 34.27 1o7c h VAL 22 CO -0.57 0.32 -0.06 0.00 0.02 0.00 0.00 177.57 177.28 1o7c h GLU 24 N -0.38 0.00 -0.31 0.00 4.81 -0.00 -0.63 114.58 118.06 1o7c h GLU 24 Ca -0.02 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1o7c h GLU 24 Cb 0.31 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1o7c h GLU 24 CO 0.03 0.00 -0.13 0.35 -0.73 0.00 0.00 179.01 178.53 1o7c h PHE 25 N 0.00 -0.32 -2.09 0.92 3.57 -0.24 -2.39 116.94 116.39 1o7c h PHE 25 Ca 0.00 0.03 -0.78 0.00 3.53 0.00 0.00 57.97 60.75 1o7c h PHE 25 Cb 0.39 0.19 -0.27 0.00 2.79 0.00 0.00 35.95 39.05 1o7c h PHE 25 CO 0.00 -0.21 1.01 0.39 -2.23 0.00 0.00 178.31 177.28 1o7c n GLU 26 N -5.31 3.76 -3.10 1.11 1.02 -1.20 -4.80 120.64 112.12 1o7c n GLU 26 Ca 0.01 -3.97 -0.20 0.00 -0.02 0.00 0.00 57.16 52.97 1o7c n GLU 26 Cb 0.23 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 1o7c n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7c n GLY 27 N -0.36 -0.49 3.39 0.62 0.00 -0.90 -4.79 105.19 102.65 1o7c n GLY 27 Ca 0.51 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 46.41 1o7c n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7c n GLY 28 N -1.13 2.27 3.11 -0.02 0.00 -0.25 -4.83 105.19 104.34 1o7c n GLY 28 Ca -0.06 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 1o7c n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1o7c s HIS 29 N -2.24 -0.32 0.38 1.61 0.09 -0.36 -3.45 115.29 111.01 1o7c s HIS 29 Ca 0.44 0.75 -0.24 0.00 -0.00 0.00 0.00 55.06 56.01 1o7c s HIS 29 Cb -0.03 0.08 -0.12 0.00 -0.00 0.00 0.00 32.58 32.51 1o7c s HIS 29 CO 0.28 -0.18 0.76 -0.11 -0.00 0.00 0.00 174.74 175.48 1o7c n LEU 30 N 3.52 0.99 -4.79 0.89 0.00 -1.26 -0.30 117.00 116.05 1o7c n LEU 30 Ca -0.18 1.01 -0.38 0.00 0.00 0.00 0.00 56.01 56.46 1o7c n LEU 30 Cb 0.56 -1.20 -0.06 0.00 0.00 0.00 0.00 43.42 42.72 1o7c n LEU 30 CO 0.16 -2.22 0.50 0.00 0.00 0.00 0.00 177.39 175.82 1o7c s ALA 31 N -1.31 3.39 0.11 1.96 0.00 0.94 -4.65 121.76 122.22 1o7c s ALA 31 Ca 0.63 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.93 1o7c s ALA 31 Cb -0.63 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1o7c s ALA 31 CO 0.58 0.28 0.08 0.25 0.00 0.00 0.00 175.76 176.95 1o7c n THR 32 N 1.12 0.00 0.04 0.00 -2.24 -1.26 -3.63 114.28 108.31 1o7c n THR 32 Ca -0.03 -0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.54 1o7c n THR 32 Cb 0.50 -1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 1o7c n THR 32 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7c h TYR 33 N -0.05 -0.10 -1.02 4.78 3.20 -1.97 0.17 116.97 121.98 1o7c h TYR 33 Ca -0.03 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.08 1o7c h TYR 33 Cb 0.13 0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.33 1o7c h TYR 33 CO 0.00 -0.06 0.64 0.87 -1.64 0.00 0.00 178.16 177.97 1o7c h LYS 34 N -0.20 0.49 0.44 1.82 1.79 -1.98 0.62 116.57 119.56 1o7c h LYS 34 Ca -0.01 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1o7c h LYS 34 Cb 0.08 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1o7c h LYS 34 CO 0.02 0.32 -0.21 1.96 -1.08 0.00 0.00 179.45 180.46 1o7c h GLN 35 N 0.50 -0.58 -0.02 3.15 4.20 -1.96 -1.54 115.11 118.87 1o7c h GLN 35 Ca 0.60 0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.35 1o7c h GLN 35 Cb 1.32 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 1o7c h GLN 35 CO -0.35 -0.27 0.07 1.25 -0.67 0.00 0.00 178.83 178.87 1o7c h LEU 36 N -0.98 0.00 0.46 1.46 7.12 0.15 -2.13 115.31 121.39 1o7c h LEU 36 Ca -0.06 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 1o7c h LEU 36 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1o7c h LEU 36 CO 0.10 0.00 -0.22 -0.08 -0.13 0.00 0.00 178.44 178.11 1o7c h GLU 37 N 0.00 -0.59 -0.12 1.25 4.81 0.51 0.59 114.58 121.03 1o7c h GLU 37 Ca 0.01 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1o7c h GLU 37 Cb 0.16 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1o7c h GLU 37 CO -0.00 -0.40 0.26 0.00 -0.73 0.00 0.00 179.01 178.15 1o7c h ALA 38 N -1.24 1.54 0.00 2.92 0.00 -0.74 0.49 119.26 122.24 1o7c h ALA 38 Ca -0.06 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1o7c h ALA 38 Cb 0.47 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1o7c h ALA 38 CO 0.10 -0.33 -1.76 0.00 0.00 0.00 0.00 179.25 177.27 1o7c n ALA 39 N -2.12 1.57 0.01 0.00 0.00 -0.85 -3.84 120.51 115.28 1o7c n ALA 39 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 53.44 52.57 1o7c n ALA 39 Cb 0.36 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.15 1o7c n ALA 39 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o7c h ARG 40 N 0.00 0.51 0.00 0.00 1.12 0.47 0.20 114.38 116.68 1o7c h ARG 40 Ca -0.30 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.31 1o7c h ARG 40 Cb 1.98 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.94 1o7c h ARG 40 CO 0.07 0.84 0.00 1.63 -3.11 0.00 0.00 179.97 179.40 1o7c n LYS 41 N -4.02 0.14 0.01 0.20 5.02 0.71 -2.09 118.16 118.13 1o7c n LYS 41 Ca -0.02 0.33 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 1o7c n LYS 41 Cb 0.52 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1o7c n LYS 41 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1o7c n ILE 42 N -2.02 0.10 0.00 -0.18 -5.35 -0.89 -4.92 119.36 106.10 1o7c n ILE 42 Ca 0.03 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1o7c n ILE 42 Cb 0.25 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1o7c n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1o7c n GLY 43 N 1.34 -0.74 3.56 3.28 0.00 -0.89 -5.08 105.19 106.66 1o7c n GLY 43 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1o7c n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o7c s PHE 44 N -0.21 2.21 -0.09 1.61 2.19 0.66 -4.94 117.98 119.41 1o7c s PHE 44 Ca 0.00 -0.19 0.03 0.00 0.33 0.00 0.00 56.93 57.10 1o7c s PHE 44 Cb 0.00 -4.43 0.01 0.00 -1.31 0.00 0.00 43.02 37.28 1o7c s PHE 44 CO 0.00 -1.90 -0.19 -1.58 1.83 0.00 0.00 175.22 173.38 1o7c s HIS 45 N 7.04 2.17 -0.30 10.12 2.46 -1.26 -4.22 115.29 131.30 1o7c s HIS 45 Ca 0.55 -0.90 0.02 0.00 0.47 0.00 0.00 55.06 55.19 1o7c s HIS 45 Cb -0.03 -1.49 0.16 0.00 -0.13 0.00 0.00 32.58 31.08 1o7c s HIS 45 CO -0.04 -0.40 0.40 0.08 -2.47 0.00 0.00 174.74 172.31 1o7c s VAL 46 N 0.55 -0.58 -1.14 0.89 1.01 -1.20 -5.03 120.40 114.90 1o7c s VAL 46 Ca -0.15 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 1o7c s VAL 46 Cb -0.17 -0.92 -0.14 0.00 0.00 0.00 0.00 36.38 35.15 1o7c s VAL 46 CO 0.05 -0.34 2.01 0.00 0.00 0.00 0.00 175.10 176.83 1o7c n ALA 48 N 16.41 0.00 -1.55 0.00 0.00 -1.26 -5.09 120.51 129.01 1o7c n ALA 48 Ca 0.43 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 53.39 1o7c n ALA 48 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1o7c n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7c n ALA 49 N -0.07 1.18 -3.32 0.00 0.00 -1.26 -4.65 120.51 112.39 1o7c n ALA 49 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1o7c n ALA 49 Cb 0.00 -2.63 -0.13 0.00 0.00 0.00 0.00 19.45 16.69 1o7c n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7c s GLY 50 N 6.69 1.69 0.60 0.00 0.00 0.06 -0.39 107.32 115.97 1o7c s GLY 50 Ca 1.03 -1.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 1o7c s GLY 50 CO 0.47 0.51 0.75 0.79 0.00 0.00 0.00 173.10 175.62 1o7c n TRP 51 N 4.84 0.09 -3.84 1.90 7.02 -1.07 -3.19 117.44 123.19 1o7c n TRP 51 Ca -0.17 0.43 -0.02 0.00 -1.02 0.00 0.00 57.50 56.73 1o7c n TRP 51 Cb 0.50 -2.05 0.01 0.00 -2.42 0.00 0.00 31.31 27.35 1o7c n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7c s MET 52 N -2.48 1.07 1.35 -0.99 0.23 0.94 -3.48 119.30 115.94 1o7c s MET 52 Ca 0.73 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 54.73 1o7c s MET 52 Cb -0.42 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.19 1o7c s MET 52 CO 0.50 -0.50 0.00 0.00 -2.03 0.00 0.00 175.02 172.99 1o7c n ALA 53 N -0.66 0.00 0.18 3.16 0.00 -1.24 -0.21 120.51 121.75 1o7c n ALA 53 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1o7c n ALA 53 Cb 0.60 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.15 1o7c n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7c n LYS 54 N -0.59 0.02 0.00 0.00 5.02 -1.26 -4.33 118.16 117.01 1o7c n LYS 54 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1o7c n LYS 54 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o7c n GLY 55 N -0.98 -0.00 3.76 0.72 0.00 -1.04 -5.14 105.19 102.50 1o7c n GLY 55 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1o7c n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1o7c s ARG 56 N 0.00 4.16 -0.16 1.61 1.70 0.71 -4.32 118.95 122.64 1o7c s ARG 56 Ca 0.00 0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.48 1o7c s ARG 56 Cb 0.00 -3.37 0.02 0.00 -0.57 0.00 0.00 34.95 31.02 1o7c s ARG 56 CO 0.00 0.34 -0.19 0.54 -1.08 0.00 0.00 175.30 174.92 1o7c s VAL 57 N 0.12 1.91 0.00 4.99 0.11 -1.26 -0.04 120.40 126.22 1o7c s VAL 57 Ca 0.19 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1o7c s VAL 57 Cb -0.14 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1o7c s VAL 57 CO 0.07 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 1o7c n GLY 58 N 4.56 4.19 2.46 6.54 0.00 -1.19 -4.55 105.19 117.19 1o7c n GLY 58 Ca -0.20 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.38 1o7c n GLY 58 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1o7c n TYR 59 N -0.14 0.49 -1.67 1.61 4.01 -0.48 -0.76 117.16 120.21 1o7c n TYR 59 Ca 0.00 -3.65 -0.43 0.00 -0.16 0.00 0.00 57.90 53.66 1o7c n TYR 59 Cb 0.00 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 1o7c n TYR 59 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1o7c n PRO 60 N 2.17 2.78 -3.62 -0.72 -0.02 -1.26 -2.47 135.00 131.86 1o7c n PRO 60 Ca 0.26 1.02 -0.25 0.00 -2.02 0.00 0.00 63.50 62.50 1o7c n PRO 60 Cb 0.46 -2.94 -0.17 0.00 -0.02 0.00 0.00 33.50 30.83 1o7c n PRO 60 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1o7c s ILE 61 N 3.66 -0.08 -0.64 4.25 -1.09 -1.00 -3.27 121.20 123.04 1o7c s ILE 61 Ca 0.86 -0.11 0.24 0.00 -2.23 0.00 0.00 60.65 59.41 1o7c s ILE 61 Cb -0.48 -0.54 0.03 0.00 -1.58 0.00 0.00 42.46 39.90 1o7c s ILE 61 CO 0.41 -0.24 1.30 0.52 -1.23 0.00 0.00 174.94 175.70 1o7c n VAL 62 N 5.28 0.34 -3.84 2.92 0.31 -1.26 -2.03 118.33 120.03 1o7c n VAL 62 Ca -0.07 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.69 1o7c n VAL 62 Cb 0.49 -0.10 -0.15 0.00 -0.91 0.00 0.00 33.84 33.17 1o7c n VAL 62 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1o7c s LYS 63 N -3.17 1.13 -0.56 5.55 2.20 -1.26 -4.89 119.74 118.74 1o7c s LYS 63 Ca 0.06 -1.57 -0.33 0.00 -0.36 0.00 0.00 55.97 53.77 1o7c s LYS 63 Cb 0.13 -2.54 -0.14 0.00 -1.51 0.00 0.00 37.83 33.77 1o7c s LYS 63 CO 0.73 -1.00 2.36 -2.30 -0.36 0.00 0.00 175.35 174.78 1o7c n PRO 64 N 4.37 0.67 -1.57 4.03 -0.02 -1.25 -4.91 135.00 136.32 1o7c n PRO 64 Ca 0.02 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 1o7c n PRO 64 Cb 0.40 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.64 1o7c n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1o7c s GLY 65 N 8.60 1.65 0.01 -1.23 0.00 -1.26 -4.59 107.32 110.50 1o7c s GLY 65 Ca 1.15 -0.04 -0.14 0.00 0.00 0.00 0.00 44.72 45.70 1o7c s GLY 65 CO 0.46 0.32 0.90 -0.56 0.00 0.00 0.00 173.10 174.22 1o7c h PRO 66 N -0.85 0.49 0.00 2.90 0.13 -1.91 0.48 132.00 133.24 1o7c h PRO 66 Ca -0.45 -0.84 -0.00 0.00 -0.87 0.00 0.00 66.00 63.84 1o7c h PRO 66 Cb 1.23 0.31 -0.00 0.00 0.13 0.00 0.00 31.00 32.67 1o7c h PRO 66 CO 0.58 1.40 -1.04 0.27 -0.23 0.00 0.00 178.00 178.98 1o7c n ASN 67 N -3.67 4.80 0.00 1.44 2.04 -1.26 -4.33 115.26 114.28 1o7c n ASN 67 Ca -0.19 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.95 1o7c n ASN 67 Cb 1.10 0.91 0.00 0.00 -2.53 0.00 0.00 39.78 39.26 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1o7c n GLY 69 N 1.26 -0.64 3.53 0.00 0.00 -1.26 -4.88 105.19 103.19 1o7c n GLY 69 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1o7c n GLY 69 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7c n PHE 70 N -0.59 0.00 0.00 1.61 7.35 -1.05 -2.69 117.46 122.09 1o7c n PHE 70 Ca 0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1o7c n PHE 70 Cb 0.26 -1.23 0.00 0.00 0.35 0.00 0.00 39.48 38.85 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1o7c n GLY 71 N -1.52 0.89 3.89 7.13 0.00 0.13 -4.87 105.19 110.85 1o7c n GLY 71 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1o7c n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o7c s LYS 72 N 0.22 3.66 -0.09 1.61 -0.14 -1.10 -4.92 119.74 118.98 1o7c s LYS 72 Ca 0.00 0.31 0.04 0.00 -1.36 0.00 0.00 55.97 54.96 1o7c s LYS 72 Cb 0.00 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1o7c s LYS 72 CO 0.00 -0.10 -0.23 0.95 -0.76 0.00 0.00 175.35 175.22 1o7c s THR 73 N -2.52 1.94 0.00 2.17 -4.23 -1.26 -3.80 115.64 107.93 1o7c s THR 73 Ca 0.49 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1o7c s THR 73 Cb -0.10 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1o7c s THR 73 CO 0.38 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.60 1o7c n GLY 74 N 3.49 -0.92 3.69 3.99 0.00 -0.86 -4.67 105.19 109.91 1o7c n GLY 74 Ca -0.19 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1o7c n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7c s ILE 75 N 0.00 4.24 -1.12 -0.61 1.01 -1.26 -2.37 121.20 121.09 1o7c s ILE 75 Ca 0.00 1.58 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 1o7c s ILE 75 Cb 0.00 -4.01 0.23 0.00 0.01 0.00 0.00 42.46 38.69 1o7c s ILE 75 CO 0.00 0.02 1.20 -0.63 0.00 0.00 0.00 174.94 175.53 1o7c s ILE 76 N 2.03 5.59 -0.11 2.92 -1.09 -1.03 -4.86 121.20 124.65 1o7c s ILE 76 Ca 0.56 -3.01 -0.00 0.00 -2.23 0.00 0.00 60.65 55.98 1o7c s ILE 76 Cb -0.25 -4.71 -0.02 0.00 -1.58 0.00 0.00 42.46 35.90 1o7c s ILE 76 CO 0.23 -1.34 -0.10 -0.62 -1.23 0.00 0.00 174.94 171.88 1o7c s ASP 77 N 2.00 4.29 0.00 3.58 2.15 -1.26 -1.39 116.67 126.04 1o7c s ASP 77 Ca 0.34 -0.21 0.10 0.00 0.43 0.00 0.00 52.55 53.21 1o7c s ASP 77 Cb -0.07 -1.43 -0.04 0.00 -0.30 0.00 0.00 42.92 41.07 1o7c s ASP 77 CO -0.05 0.23 0.56 -1.22 -0.17 0.00 0.00 175.17 174.51 1o7c n TYR 78 N 3.08 0.00 0.00 -5.34 4.02 -1.26 -5.03 117.16 112.63 1o7c n TYR 78 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1o7c n TYR 78 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1o7c n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o7c n GLY 79 N 1.04 1.14 3.54 2.72 0.00 -1.26 -5.02 105.19 107.35 1o7c n GLY 79 Ca 0.03 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1o7c n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7c n ILE 80 N 0.78 0.88 -0.15 -0.61 5.41 -1.26 -4.41 119.36 120.00 1o7c n ILE 80 Ca 0.00 -0.20 0.01 0.00 1.00 0.00 0.00 62.75 63.56 1o7c n ILE 80 Cb 0.00 -0.87 0.01 0.00 -0.71 0.00 0.00 39.64 38.08 1o7c n ILE 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1o7c n ARG 81 N -2.40 2.72 -3.62 0.38 1.74 -1.26 -5.00 116.66 109.22 1o7c n ARG 81 Ca 0.10 -1.57 -0.23 0.00 -0.77 0.00 0.00 57.85 55.38 1o7c n ARG 81 Cb 0.52 -1.03 0.07 0.00 -1.02 0.00 0.00 32.46 30.99 1o7c n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1o7c n LEU 82 N -0.57 -3.40 -2.71 0.55 -0.00 -1.26 -4.94 117.00 104.66 1o7c n LEU 82 Ca 0.02 -0.64 -0.05 0.00 -0.00 0.00 0.00 56.01 55.33 1o7c n LEU 82 Cb 0.30 -2.93 0.04 0.00 -0.00 0.00 0.00 43.42 40.83 1o7c n LEU 82 CO 0.00 0.51 0.35 -3.20 -0.00 0.00 0.00 177.39 175.05 1o7c n ASN 83 N -3.03 -2.28 0.00 1.96 2.85 -1.26 -4.99 115.26 108.52 1o7c n ASN 83 Ca -0.12 -2.17 0.05 0.00 -0.11 0.00 0.00 54.58 52.24 1o7c n ASN 83 Cb 0.60 1.24 0.26 0.00 1.24 0.00 0.00 39.78 43.12 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1o7c n ARG 84 N 2.25 0.14 0.00 1.20 3.00 -1.26 -2.63 116.66 119.36 1o7c n ARG 84 Ca 0.10 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.14 1o7c n ARG 84 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.59 1o7c n ARG 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1o7c n SER 85 N -1.29 0.06 -4.03 0.55 3.41 -1.26 -3.21 113.62 107.85 1o7c n SER 85 Ca 0.05 -1.37 -0.30 0.00 -0.26 0.00 0.00 58.87 56.99 1o7c n SER 85 Cb 0.08 -0.03 0.21 0.00 -0.26 0.00 0.00 64.21 64.21 1o7c n SER 85 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1o7c s GLU 86 N -1.91 -0.13 -0.17 4.33 0.41 -1.08 -4.98 118.70 115.17 1o7c s GLU 86 Ca 0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 54.97 54.33 1o7c s GLU 86 Cb 0.00 -1.74 0.05 0.00 -1.78 0.00 0.00 34.13 30.66 1o7c s GLU 86 CO 0.00 -2.96 -0.01 1.03 -0.49 0.00 0.00 175.26 172.83 1o7c s ARG 87 N -5.65 1.05 0.00 1.61 0.52 -1.26 -3.89 118.95 111.33 1o7c s ARG 87 Ca 0.72 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1o7c s ARG 87 Cb -0.07 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1o7c s ARG 87 CO 0.54 -0.51 0.00 0.91 0.02 0.00 0.00 175.30 176.27 1o7c n TRP 88 N 4.96 0.00 -2.72 -0.53 7.02 -0.44 -4.22 117.44 121.52 1o7c n TRP 88 Ca -0.10 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.34 1o7c n TRP 88 Cb 0.47 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.38 1o7c n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1o7c n ASP 89 N 0.00 0.33 -3.65 -0.99 8.00 0.48 -1.50 116.55 119.22 1o7c n ASP 89 Ca 0.00 -1.25 -0.17 0.00 0.71 0.00 0.00 54.79 54.08 1o7c n ASP 89 Cb 0.00 -0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 40.85 1o7c n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o7c s ALA 90 N -2.43 -0.20 -0.33 2.24 0.00 0.02 -2.59 121.76 118.48 1o7c s ALA 90 Ca 0.12 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 1o7c s ALA 90 Cb -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1o7c s ALA 90 CO 0.08 -0.62 0.79 0.71 0.00 0.00 0.00 175.76 176.71 1o7c s TYR 91 N 2.31 3.17 0.28 0.00 2.02 -1.23 -0.84 117.35 123.06 1o7c s TYR 91 Ca 0.03 0.73 -0.03 0.00 -0.37 0.00 0.00 57.07 57.43 1o7c s TYR 91 Cb -0.12 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 1o7c s TYR 91 CO -0.06 -0.63 0.52 0.00 -1.57 0.00 0.00 175.55 173.81 1o7c s TYR 93 N -2.07 -1.15 -0.04 0.00 6.14 0.59 -1.50 117.35 119.32 1o7c s TYR 93 Ca 0.42 0.40 0.04 0.00 0.64 0.00 0.00 57.07 58.58 1o7c s TYR 93 Cb -0.11 -0.07 -0.00 0.00 0.42 0.00 0.00 41.96 42.20 1o7c s TYR 93 CO 0.31 -1.01 -0.17 -0.80 0.64 0.00 0.00 175.55 174.51 1o7c s ASN 94 N 2.53 2.13 0.46 4.32 -0.87 -0.54 -1.22 114.94 121.75 1o7c s ASN 94 Ca 0.10 -0.35 0.22 0.00 -1.57 0.00 0.00 52.86 51.27 1o7c s ASN 94 Cb -0.12 -0.55 1.22 0.00 -0.02 0.00 0.00 41.25 41.79 1o7c s ASN 94 CO -0.28 0.16 1.87 -0.65 -2.57 0.00 0.00 177.10 175.63 1o7c h PRO 95 N 6.18 0.25 0.00 -0.60 0.11 -1.88 -3.26 132.00 132.80 1o7c h PRO 95 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1o7c h PRO 95 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1o7c h PRO 95 CO 0.48 0.17 -0.43 0.72 -0.21 0.00 0.00 178.00 178.72 1o7c n HIS 96 N -4.44 0.00 -4.05 0.65 8.25 -1.26 -4.80 115.22 109.58 1o7c n HIS 96 Ca 0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 1o7c n HIS 96 Cb 0.79 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.90 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7c n ALA 97 N -1.02 -2.29 -0.23 -1.41 0.00 -1.23 -5.16 120.51 109.17 1o7c n ALA 97 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1o7c n ALA 97 Cb 0.16 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67