#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 4.88 0.27 1.61 0.11 -1.26 -1.06 120.40 124.95 1o7c s VAL 2 Ca 0.00 1.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.97 1o7c s VAL 2 Cb 0.00 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 31.02 1o7c s VAL 2 CO 0.00 0.53 0.59 -0.72 -3.33 0.00 0.00 175.10 172.17 1o7c s TYR 3 N -0.87 0.14 0.30 1.54 1.13 0.12 -4.96 117.35 114.74 1o7c s TYR 3 Ca 0.27 -0.54 -0.07 0.00 -1.41 0.00 0.00 57.07 55.32 1o7c s TYR 3 Cb -0.18 0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 41.04 1o7c s TYR 3 CO 0.16 -1.11 0.59 -1.58 -2.51 0.00 0.00 175.55 171.10 1o7c s HIS 4 N -3.92 3.46 -0.07 -3.49 2.46 -1.26 -0.31 115.29 112.17 1o7c s HIS 4 Ca 0.18 0.76 -0.24 0.00 0.47 0.00 0.00 55.06 56.22 1o7c s HIS 4 Cb -0.03 -2.19 0.05 0.00 -0.13 0.00 0.00 32.58 30.28 1o7c s HIS 4 CO 0.08 0.15 0.54 1.03 -2.47 0.00 0.00 174.74 174.07 1o7c s ARG 5 N -3.45 0.86 0.00 2.88 1.81 0.78 -4.72 118.95 117.11 1o7c s ARG 5 Ca 0.46 0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 1o7c s ARG 5 Cb -0.11 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1o7c s ARG 5 CO 0.28 -0.24 0.00 -0.85 -0.68 0.00 0.00 175.30 173.81 1o7c n GLU 6 N 1.34 1.94 -3.90 3.54 0.00 -1.26 -1.32 120.64 120.98 1o7c n GLU 6 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.69 1o7c n GLU 6 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.97 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 3.96 0.50 -1.84 0.00 -1.22 -4.87 121.76 116.28 1o7c s ALA 7 Ca 0.00 -0.95 0.41 0.00 0.00 0.00 0.00 51.96 51.42 1o7c s ALA 7 Cb 0.00 -1.83 2.18 0.00 0.00 0.00 0.00 23.12 23.48 1o7c s ALA 7 CO 0.00 0.60 2.25 0.00 0.00 0.00 0.00 175.76 178.61 1o7c h ARG 8 N 2.37 0.00 0.00 0.00 2.47 -2.01 -0.79 114.38 116.42 1o7c h ARG 8 Ca -0.47 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.10 1o7c h ARG 8 Cb 1.18 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.48 1o7c h ARG 8 CO 0.70 0.00 -1.70 0.43 0.56 0.00 0.00 179.97 179.97 1o7c n SER 9 N -2.98 0.48 0.00 7.04 7.64 -1.26 -5.07 113.62 119.47 1o7c n SER 9 Ca -0.02 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1o7c n SER 9 Cb 0.09 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o7c n GLY 10 N 1.41 3.31 3.68 0.23 0.00 -0.30 -5.12 105.19 108.40 1o7c n GLY 10 Ca -0.12 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1o7c n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o7c s LYS 11 N -2.21 1.15 -1.05 1.61 2.20 -1.26 -3.43 119.74 116.74 1o7c s LYS 11 Ca 0.00 1.63 -0.13 0.00 -0.36 0.00 0.00 55.97 57.10 1o7c s LYS 11 Cb 0.00 -1.74 -0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1o7c s LYS 11 CO 0.00 -2.55 0.81 0.66 -0.36 0.00 0.00 175.35 173.91 1o7c n TYR 12 N -3.99 -2.19 -1.82 4.03 4.02 -0.57 -4.88 117.16 111.75 1o7c n TYR 12 Ca 0.12 0.66 0.00 0.00 -0.01 0.00 0.00 57.90 58.68 1o7c n TYR 12 Cb 0.52 -3.68 0.00 0.00 -0.02 0.00 0.00 39.34 36.16 1o7c n TYR 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1o7c n LYS 13 N -3.57 0.00 -4.02 -0.72 5.02 -0.58 -4.41 118.16 109.88 1o7c n LYS 13 Ca -0.09 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.83 1o7c n LYS 13 Cb 0.59 -0.09 -0.11 0.00 -0.02 0.00 0.00 35.03 35.41 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 3.63 0.07 -0.35 1.43 -1.05 -4.81 118.68 117.60 1o7c s LEU 14 Ca 0.00 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1o7c s LEU 14 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1o7c s LEU 14 CO 0.00 0.12 0.23 0.42 0.23 0.00 0.00 176.35 177.35 1o7c s THR 15 N 0.67 5.37 0.29 5.49 -4.23 -1.24 -2.17 115.64 119.81 1o7c s THR 15 Ca 0.02 -0.34 0.15 0.00 -1.18 0.00 0.00 61.69 60.34 1o7c s THR 15 Cb -0.13 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.37 1o7c s THR 15 CO 0.02 0.13 1.28 0.00 -0.54 0.00 0.00 174.62 175.51 1o7c n TYR 16 N 0.28 0.88 -0.07 3.99 9.36 -0.73 0.19 117.16 131.05 1o7c n TYR 16 Ca -0.05 0.96 -0.14 0.00 3.32 0.00 0.00 57.90 61.99 1o7c n TYR 16 Cb 0.51 -1.33 -0.05 0.00 -0.63 0.00 0.00 39.34 37.83 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 1.62 0.36 0.12 2.98 0.00 -1.93 -2.51 119.26 119.88 1o7c h ALA 17 Ca 0.66 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1o7c h ALA 17 Cb 1.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1o7c h ALA 17 CO -0.64 0.41 -0.06 0.93 0.00 0.00 0.00 179.25 179.89 1o7c h GLU 18 N 0.35 -0.15 -0.71 0.00 5.08 0.19 -2.08 114.58 117.24 1o7c h GLU 18 Ca 0.02 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1o7c h GLU 18 Cb 0.93 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.08 1o7c h GLU 18 CO 0.08 0.33 -0.24 0.00 -1.00 0.00 0.00 179.01 178.18 1o7c h ALA 19 N -0.25 0.31 0.47 3.43 0.00 0.84 -0.76 119.26 123.29 1o7c h ALA 19 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1o7c h ALA 19 Cb 0.55 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1o7c h ALA 19 CO 0.03 -0.50 -0.22 -0.22 0.00 0.00 0.00 179.25 178.33 1o7c h LYS 20 N -0.05 -0.61 -1.08 0.00 3.64 -1.54 -2.72 116.57 114.21 1o7c h LYS 20 Ca 0.32 0.04 0.40 0.00 -1.27 0.00 0.00 60.65 60.15 1o7c h LYS 20 Cb 0.55 0.14 -0.16 0.00 -0.41 0.00 0.00 32.23 32.35 1o7c h LYS 20 CO -0.76 -0.32 0.63 0.00 -2.27 0.00 0.00 179.45 176.73 1o7c h ALA 21 N -0.39 2.27 0.10 5.00 0.00 -0.56 0.80 119.26 126.48 1o7c h ALA 21 Ca -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1o7c h ALA 21 Cb 0.57 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1o7c h ALA 21 CO 0.11 -0.98 -0.05 0.28 0.00 0.00 0.00 179.25 178.61 1o7c h VAL 22 N 0.09 1.10 0.05 0.00 2.07 -0.99 0.24 116.25 118.81 1o7c h VAL 22 Ca 0.82 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1o7c h VAL 22 Cb 2.21 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1o7c h VAL 22 CO -0.65 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.12 1o7c h GLU 24 N -0.28 0.00 -0.37 0.00 4.81 0.11 1.00 114.58 119.85 1o7c h GLU 24 Ca -0.01 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1o7c h GLU 24 Cb 0.25 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1o7c h GLU 24 CO 0.01 0.00 0.10 0.35 -0.73 0.00 0.00 179.01 178.74 1o7c h PHE 25 N 0.00 0.17 -2.01 0.92 3.57 0.10 -2.83 116.94 116.86 1o7c h PHE 25 Ca 0.00 0.02 -0.73 0.00 3.53 0.00 0.00 57.97 60.80 1o7c h PHE 25 Cb 0.29 -0.02 -0.32 0.00 2.79 0.00 0.00 35.95 38.69 1o7c h PHE 25 CO 0.00 0.05 0.52 0.39 -2.23 0.00 0.00 178.31 177.03 1o7c n GLU 26 N -5.06 3.67 -4.01 1.11 1.02 -1.12 -4.85 120.64 111.39 1o7c n GLU 26 Ca 0.02 -4.18 -0.31 0.00 -0.02 0.00 0.00 57.16 52.67 1o7c n GLU 26 Cb 0.15 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 -0.44 3.55 0.62 0.00 -1.07 -4.96 105.19 102.53 1o7c n GLY 27 Ca 0.47 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 1o7c n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1o7c s GLY 28 N -3.48 2.29 -0.02 -0.02 0.00 0.33 -4.86 107.32 101.55 1o7c s GLY 28 Ca 0.58 -2.17 0.04 0.00 0.00 0.00 0.00 44.72 43.17 1o7c s GLY 28 CO 0.87 -2.01 -0.13 -2.38 0.00 0.00 0.00 173.10 169.45 1o7c s HIS 29 N -2.82 1.29 -0.10 1.90 -3.43 0.51 -1.88 115.29 110.76 1o7c s HIS 29 Ca 0.34 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.00 1o7c s HIS 29 Cb 0.07 -0.86 -0.03 0.00 -1.43 0.00 0.00 32.58 30.33 1o7c s HIS 29 CO 0.17 -0.08 1.31 -0.48 -2.00 0.00 0.00 174.74 173.65 1o7c s LEU 30 N -0.08 4.24 0.91 5.38 0.05 -1.26 0.88 118.68 128.82 1o7c s LEU 30 Ca 0.00 1.84 -0.14 0.00 0.05 0.00 0.00 54.13 55.88 1o7c s LEU 30 Cb -0.08 -3.55 -0.01 0.00 -2.05 0.00 0.00 46.19 40.50 1o7c s LEU 30 CO 0.00 -0.73 0.20 0.00 -0.55 0.00 0.00 176.35 175.27 1o7c n ALA 31 N 6.15 -2.96 -2.53 1.48 0.00 0.44 -4.54 120.51 118.55 1o7c n ALA 31 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1o7c n ALA 31 Cb 0.45 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1o7c n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1o7c n THR 32 N -3.16 0.00 0.00 0.00 -2.24 -1.26 -4.06 114.28 103.56 1o7c n THR 32 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1o7c n THR 32 Cb 0.53 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1o7c n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o7c n TYR 33 N 0.00 0.00 -0.35 4.78 9.36 -1.26 -1.95 117.16 127.74 1o7c n TYR 33 Ca 0.00 0.00 0.25 0.00 3.32 0.00 0.00 57.90 61.47 1o7c n TYR 33 Cb 0.00 -0.35 0.52 0.00 -0.63 0.00 0.00 39.34 38.88 1o7c n TYR 33 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1o7c h LYS 34 N 0.00 0.33 0.13 2.98 1.57 -1.99 0.14 116.57 119.73 1o7c h LYS 34 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1o7c h LYS 34 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1o7c h LYS 34 CO 0.00 0.22 -0.06 1.96 -0.57 0.00 0.00 179.45 181.00 1o7c h GLN 35 N 0.34 -0.17 -0.13 3.15 4.20 -1.97 -1.98 115.11 118.55 1o7c h GLN 35 Ca 0.67 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.43 1o7c h GLN 35 Cb 1.72 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.53 1o7c h GLN 35 CO -0.39 0.11 0.20 1.25 -0.67 0.00 0.00 178.83 179.33 1o7c h LEU 36 N -0.45 0.00 0.32 1.46 7.12 -0.11 -1.62 115.31 122.03 1o7c h LEU 36 Ca -0.02 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1o7c h LEU 36 Cb 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1o7c h LEU 36 CO 0.03 0.00 -0.15 -0.08 -0.13 0.00 0.00 178.44 178.10 1o7c h GLU 37 N 0.00 -0.42 0.00 1.25 4.81 -0.64 0.43 114.58 120.01 1o7c h GLU 37 Ca 0.06 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1o7c h GLU 37 Cb 0.45 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1o7c h GLU 37 CO -0.00 -0.28 0.16 0.00 -0.73 0.00 0.00 179.01 178.16 1o7c h ALA 38 N -1.31 1.12 0.00 2.92 0.00 -0.87 0.50 119.26 121.62 1o7c h ALA 38 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1o7c h ALA 38 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1o7c h ALA 38 CO 0.07 -0.12 -1.93 0.00 0.00 0.00 0.00 179.25 177.27 1o7c n ALA 39 N -1.75 1.54 0.08 0.00 0.00 -0.66 -4.03 120.51 115.69 1o7c n ALA 39 Ca -0.01 -0.95 -0.06 0.00 0.00 0.00 0.00 53.44 52.42 1o7c n ALA 39 Cb 0.20 -0.62 0.11 0.00 0.00 0.00 0.00 19.45 19.13 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 0.27 0.00 0.00 1.12 0.22 -1.99 114.38 114.00 1o7c h ARG 40 Ca -0.37 -0.19 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 1o7c h ARG 40 Cb 2.06 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 32.05 1o7c h ARG 40 CO 0.06 0.80 0.00 0.87 -3.11 0.00 0.00 179.97 178.59 1o7c h LYS 41 N 0.19 0.00 0.00 0.20 1.57 -1.17 -2.13 116.57 115.23 1o7c h LYS 41 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1o7c h LYS 41 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1o7c h LYS 41 CO 0.10 0.00 -0.61 0.44 -0.57 0.00 0.00 179.45 178.81 1o7c n ILE 42 N -2.61 0.17 0.00 1.86 -5.35 -1.07 -4.89 119.36 107.47 1o7c n ILE 42 Ca 0.01 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1o7c n ILE 42 Cb 0.25 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 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 1.42 0.95 3.69 3.28 0.00 -0.81 -5.11 105.19 108.61 1o7c n GLY 43 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.41 3.54 -0.16 1.61 5.36 -0.77 -4.99 117.98 121.16 1o7c s PHE 44 Ca 0.00 1.61 -0.07 0.00 -0.96 0.00 0.00 56.93 57.51 1o7c s PHE 44 Cb 0.00 -3.18 0.06 0.00 -0.34 0.00 0.00 43.02 39.57 1o7c s PHE 44 CO 0.00 -0.20 0.37 -1.58 -1.46 0.00 0.00 175.22 172.35 1o7c s HIS 45 N 1.78 -0.58 -0.28 10.12 5.65 -1.26 -4.33 115.29 126.40 1o7c s HIS 45 Ca 0.49 1.22 0.01 0.00 0.25 0.00 0.00 55.06 57.03 1o7c s HIS 45 Cb -0.19 0.20 0.15 0.00 -1.18 0.00 0.00 32.58 31.56 1o7c s HIS 45 CO 0.20 -0.36 0.39 0.14 -0.65 0.00 0.00 174.74 174.47 1o7c s VAL 46 N 1.79 -0.61 -0.98 0.89 -7.23 -1.26 -5.05 120.40 107.95 1o7c s VAL 46 Ca -0.06 -0.27 -0.24 0.00 -1.81 0.00 0.00 61.98 59.60 1o7c s VAL 46 Cb -0.10 -0.95 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 1o7c s VAL 46 CO -0.11 -0.27 2.01 0.00 -0.31 0.00 0.00 175.10 176.42 1o7c n ALA 48 N 15.09 0.00 -1.68 0.00 0.00 -1.26 -5.02 120.51 127.64 1o7c n ALA 48 Ca 0.42 0.00 -0.63 0.00 0.00 0.00 0.00 53.44 53.23 1o7c n ALA 48 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 -0.73 -3.56 0.00 0.00 -1.26 -4.75 120.51 110.20 1o7c n ALA 49 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 1o7c n ALA 49 Cb 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 19.45 17.24 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 3.64 1.51 1.14 0.00 0.00 -0.34 0.25 107.32 113.52 1o7c s GLY 50 Ca 1.05 -1.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 1o7c s GLY 50 CO 0.74 0.18 0.19 0.79 0.00 0.00 0.00 173.10 175.00 1o7c n TRP 51 N 4.34 -1.68 -3.78 1.90 7.02 -1.08 -3.13 117.44 121.03 1o7c n TRP 51 Ca -0.19 0.02 -0.02 0.00 -1.02 0.00 0.00 57.50 56.29 1o7c n TRP 51 Cb 0.51 -1.53 -0.00 0.00 -2.42 0.00 0.00 31.31 27.87 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 -3.63 1.08 0.94 -0.99 0.23 0.41 -4.46 119.30 112.88 1o7c s MET 52 Ca 0.55 -0.64 -0.14 0.00 -1.03 0.00 0.00 55.69 54.44 1o7c s MET 52 Cb -0.12 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.52 1o7c s MET 52 CO 0.61 -0.50 0.22 0.00 -2.03 0.00 0.00 175.02 173.32 1o7c n ALA 53 N -0.56 -3.00 -1.24 3.16 0.00 -1.26 -2.05 120.51 115.55 1o7c n ALA 53 Ca -0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.71 1o7c n ALA 53 Cb 0.61 -1.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.97 -1.06 -2.67 0.00 4.76 -1.26 -2.41 118.16 114.56 1o7c n LYS 54 Ca 0.06 0.73 -0.18 0.00 -2.87 0.00 0.00 58.31 56.05 1o7c n LYS 54 Cb 0.54 -4.76 0.02 0.00 -1.84 0.00 0.00 35.03 28.99 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1o7c n GLY 55 N -1.00 -0.30 3.93 0.72 0.00 -1.07 -4.78 105.19 102.70 1o7c n GLY 55 Ca -0.08 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1o7c n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o7c s ARG 56 N -5.24 3.34 -0.24 1.61 0.52 -0.87 -4.51 118.95 113.56 1o7c s ARG 56 Ca 0.15 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.58 1o7c s ARG 56 Cb -0.07 -2.87 0.13 0.00 0.52 0.00 0.00 34.95 32.66 1o7c s ARG 56 CO 0.19 0.47 0.46 0.54 0.02 0.00 0.00 175.30 176.99 1o7c s VAL 57 N -1.87 -0.73 0.00 3.52 0.11 -1.26 0.15 120.40 120.32 1o7c s VAL 57 Ca 0.34 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1o7c s VAL 57 Cb -0.10 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1o7c s VAL 57 CO 0.28 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1o7c n GLY 58 N 5.40 4.55 2.67 6.54 0.00 -1.18 -4.42 105.19 118.74 1o7c n GLY 58 Ca -0.06 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1o7c n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1o7c s TYR 59 N -1.15 1.01 0.00 1.61 2.02 -0.88 -1.19 117.35 118.77 1o7c s TYR 59 Ca 0.00 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.54 1o7c s TYR 59 Cb 0.00 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 1o7c s TYR 59 CO 0.00 -0.77 0.00 -2.30 -1.57 0.00 0.00 175.55 170.91 1o7c n PRO 60 N 5.05 0.00 -1.31 -1.71 -0.02 -1.26 -0.51 135.00 135.24 1o7c n PRO 60 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1o7c n PRO 60 Cb 0.44 -0.32 0.00 0.00 -0.02 0.00 0.00 33.50 33.60 1o7c n PRO 60 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1o7c n ILE 61 N 0.00 -4.78 0.10 4.25 2.08 -1.26 -4.08 119.36 115.68 1o7c n ILE 61 Ca 0.00 0.77 -0.21 0.00 0.56 0.00 0.00 62.75 63.87 1o7c n ILE 61 Cb 0.00 -3.72 -0.15 0.00 -0.75 0.00 0.00 39.64 35.02 1o7c n ILE 61 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1o7c h VAL 62 N 1.03 1.21 -3.60 1.39 2.07 -1.91 -3.37 116.25 113.07 1o7c h VAL 62 Ca 0.00 -2.74 -0.70 0.00 0.82 0.00 0.00 66.70 64.08 1o7c h VAL 62 Cb 0.00 2.90 -0.31 0.00 -1.52 0.00 0.00 31.29 32.36 1o7c h VAL 62 CO 0.00 0.84 -0.58 -0.54 0.02 0.00 0.00 177.57 177.30 1o7c s LYS 63 N -2.61 2.44 0.06 1.57 1.02 -1.26 -4.94 119.74 116.01 1o7c s LYS 63 Ca -0.10 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.18 1o7c s LYS 63 Cb 0.05 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.78 1o7c s LYS 63 CO 0.89 -0.81 1.79 -1.25 -0.92 0.00 0.00 175.35 175.05 1o7c s PRO 64 N 1.32 4.16 0.18 -1.68 0.04 -1.26 -4.69 135.00 133.07 1o7c s PRO 64 Ca 0.01 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1o7c s PRO 64 Cb -0.21 -3.79 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 1o7c s PRO 64 CO 0.00 -0.84 0.05 0.41 0.04 0.00 0.00 177.00 176.66 1o7c n GLY 65 N 4.23 3.79 0.37 0.56 0.00 -1.25 -4.62 105.19 108.27 1o7c n GLY 65 Ca 0.18 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1o7c n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o7c h PRO 66 N 0.00 -0.85 -0.01 1.61 0.13 -1.94 0.44 132.00 131.39 1o7c h PRO 66 Ca -0.14 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1o7c h PRO 66 Cb 0.52 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1o7c h PRO 66 CO 0.23 -0.57 -0.11 0.27 -0.23 0.00 0.00 178.00 177.59 1o7c n ASN 67 N -5.32 1.26 -1.93 1.44 2.04 -1.26 -3.47 115.26 108.02 1o7c n ASN 67 Ca -0.11 -1.13 -0.23 0.00 -0.44 0.00 0.00 54.58 52.67 1o7c n ASN 67 Cb 0.35 0.32 0.07 0.00 -2.53 0.00 0.00 39.78 37.98 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 -0.83 0.18 2.49 0.00 0.00 -1.24 -3.84 105.19 101.95 1o7c n GLY 69 Ca 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 1o7c n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o7c n PHE 70 N 0.00 -0.41 -1.24 1.61 3.72 0.13 -1.14 117.46 120.13 1o7c n PHE 70 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1o7c n PHE 70 Cb 0.00 -3.55 -0.03 0.00 -0.94 0.00 0.00 39.48 34.96 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o7c n GLY 71 N -0.74 0.90 3.87 1.37 0.00 0.40 -4.91 105.19 106.08 1o7c n GLY 71 Ca -0.21 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.43 3.82 -0.12 1.61 1.02 -0.29 -4.94 119.74 118.41 1o7c s LYS 72 Ca 0.00 0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.39 1o7c s LYS 72 Cb 0.00 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1o7c s LYS 72 CO 0.00 0.18 -0.21 0.95 -0.92 0.00 0.00 175.35 175.34 1o7c s THR 73 N -2.03 2.25 0.00 2.17 -4.23 -1.26 -4.35 115.64 108.19 1o7c s THR 73 Ca 0.49 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1o7c s THR 73 Cb -0.11 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1o7c s THR 73 CO 0.24 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 1o7c n GLY 74 N 3.68 -0.09 3.55 3.99 0.00 -1.26 -4.77 105.19 110.30 1o7c n GLY 74 Ca -0.19 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.40 3.61 -1.13 -0.61 1.01 -1.26 -4.41 121.20 117.01 1o7c s ILE 75 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1o7c s ILE 75 Cb 0.00 -4.49 -0.11 0.00 0.01 0.00 0.00 42.46 37.87 1o7c s ILE 75 CO 0.00 -1.43 1.98 -0.63 0.00 0.00 0.00 174.94 174.86 1o7c s ILE 76 N 7.41 3.44 -0.24 2.92 -1.09 0.34 -4.67 121.20 129.30 1o7c s ILE 76 Ca 0.54 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 1o7c s ILE 76 Cb -0.07 -4.38 -0.02 0.00 -1.58 0.00 0.00 42.46 36.41 1o7c s ILE 76 CO 0.07 -0.81 0.03 -0.62 -1.23 0.00 0.00 174.94 172.38 1o7c s ASP 77 N 7.10 4.85 -0.02 3.58 2.15 -1.26 -2.08 116.67 130.99 1o7c s ASP 77 Ca 0.71 -0.26 0.05 0.00 0.43 0.00 0.00 52.55 53.48 1o7c s ASP 77 Cb -0.02 -1.86 0.18 0.00 -0.30 0.00 0.00 42.92 40.91 1o7c s ASP 77 CO 0.12 -0.02 1.00 -1.22 -0.17 0.00 0.00 175.17 174.88 1o7c n TYR 78 N 4.82 0.35 -0.53 -5.34 4.02 -1.26 -5.01 117.16 114.22 1o7c n TYR 78 Ca -0.17 -0.14 0.07 0.00 -0.01 0.00 0.00 57.90 57.65 1o7c n TYR 78 Cb 0.51 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 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 0.53 -1.55 3.66 2.72 0.00 -1.26 -4.73 105.19 104.56 1o7c n GLY 79 Ca 0.06 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1o7c n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7c s ILE 80 N -1.53 3.17 -1.32 -0.61 1.01 -1.26 -4.60 121.20 116.07 1o7c s ILE 80 Ca 0.00 0.21 0.15 0.00 0.00 0.00 0.00 60.65 61.01 1o7c s ILE 80 Cb 0.00 -3.13 0.58 0.00 0.01 0.00 0.00 42.46 39.92 1o7c s ILE 80 CO 0.00 -0.02 1.46 0.54 0.00 0.00 0.00 174.94 176.92 1o7c n ARG 81 N 7.46 3.12 -3.06 2.79 5.12 -1.26 -4.91 116.66 125.91 1o7c n ARG 81 Ca 0.19 -2.30 -0.21 0.00 -1.93 0.00 0.00 57.85 53.60 1o7c n ARG 81 Cb 0.42 -1.74 0.01 0.00 -1.16 0.00 0.00 32.46 29.98 1o7c n ARG 81 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1o7c n LEU 82 N 0.92 -1.89 -3.20 0.55 7.99 -1.26 -4.90 117.00 115.21 1o7c n LEU 82 Ca 0.21 -0.25 -0.23 0.00 -0.01 0.00 0.00 56.01 55.73 1o7c n LEU 82 Cb 0.72 -2.45 -0.06 0.00 -0.11 0.00 0.00 43.42 41.52 1o7c n LEU 82 CO 0.19 0.12 -0.24 -3.20 -1.51 0.00 0.00 177.39 172.76 1o7c n ASN 83 N -2.28 0.79 0.00 -1.43 4.05 -1.26 -4.92 115.26 110.20 1o7c n ASN 83 Ca -0.08 -2.87 0.03 0.00 0.45 0.00 0.00 54.58 52.11 1o7c n ASN 83 Cb 0.59 -0.63 0.17 0.00 1.23 0.00 0.00 39.78 41.13 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1o7c n ARG 84 N 1.02 0.13 -0.29 1.20 3.00 -1.26 -0.94 116.66 119.52 1o7c n ARG 84 Ca 0.23 0.13 0.11 0.00 -0.01 0.00 0.00 57.85 58.31 1o7c n ARG 84 Cb 0.55 -1.50 0.27 0.00 0.00 0.00 0.00 32.46 31.78 1o7c n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o7c n SER 85 N -1.16 3.71 -3.11 0.55 7.64 -1.26 -1.78 113.62 118.22 1o7c n SER 85 Ca 0.04 -1.99 -0.16 0.00 1.01 0.00 0.00 58.87 57.77 1o7c n SER 85 Cb 0.04 -0.39 0.15 0.00 -1.01 0.00 0.00 64.21 63.00 1o7c n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1o7c n GLU 86 N 1.52 -3.44 -3.83 1.43 -0.58 -0.12 -4.82 120.64 110.81 1o7c n GLU 86 Ca 0.22 -0.76 -0.28 0.00 -0.42 0.00 0.00 57.16 55.92 1o7c n GLU 86 Cb 0.60 -0.98 -0.16 0.00 -0.57 0.00 0.00 31.44 30.33 1o7c n GLU 86 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1o7c s ARG 87 N -4.09 1.11 0.00 3.49 1.70 -1.26 -3.70 118.95 116.20 1o7c s ARG 87 Ca 0.35 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 1o7c s ARG 87 Cb -0.06 -2.04 0.00 0.00 -0.57 0.00 0.00 34.95 32.28 1o7c s ARG 87 CO 0.29 -0.52 0.00 0.91 -1.08 0.00 0.00 175.30 174.90 1o7c n TRP 88 N 4.93 0.00 -4.06 5.89 7.02 -0.92 -4.47 117.44 125.83 1o7c n TRP 88 Ca -0.10 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.35 1o7c n TRP 88 Cb 0.47 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.36 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 1.91 -3.73 -0.99 9.92 0.14 -1.51 116.55 122.29 1o7c n ASP 89 Ca 0.00 -1.19 -0.12 0.00 -0.53 0.00 0.00 54.79 52.94 1o7c n ASP 89 Cb 0.00 0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.39 1o7c n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7c s ALA 90 N -2.08 -0.59 -0.45 2.24 0.00 -0.44 -2.62 121.76 117.82 1o7c s ALA 90 Ca 0.00 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 1o7c s ALA 90 Cb 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.53 1o7c s ALA 90 CO 0.00 -0.20 0.40 0.71 0.00 0.00 0.00 175.76 176.67 1o7c s TYR 91 N 1.19 3.21 -0.03 0.00 2.02 -1.26 -0.16 117.35 122.32 1o7c s TYR 91 Ca -0.09 -0.69 -0.26 0.00 -0.37 0.00 0.00 57.07 55.66 1o7c s TYR 91 Cb -0.10 -2.99 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 1o7c s TYR 91 CO -0.08 -0.74 0.82 0.00 -1.57 0.00 0.00 175.55 173.97 1o7c s TYR 93 N 0.84 1.34 0.08 0.00 6.14 0.25 0.15 117.35 126.16 1o7c s TYR 93 Ca 0.43 -0.62 0.06 0.00 0.64 0.00 0.00 57.07 57.59 1o7c s TYR 93 Cb -0.19 -1.13 -0.03 0.00 0.42 0.00 0.00 41.96 41.02 1o7c s TYR 93 CO 0.22 -0.45 -0.16 -0.80 0.64 0.00 0.00 175.55 175.00 1o7c s ASN 94 N 1.59 1.96 0.47 4.32 -0.87 -0.22 -0.37 114.94 121.82 1o7c s ASN 94 Ca 0.02 -0.64 0.28 0.00 -1.57 0.00 0.00 52.86 50.95 1o7c s ASN 94 Cb -0.13 -0.08 1.35 0.00 -0.02 0.00 0.00 41.25 42.37 1o7c s ASN 94 CO -0.06 -0.03 1.77 -0.65 -2.57 0.00 0.00 177.10 175.56 1o7c h PRO 95 N 4.21 0.18 0.00 -0.60 0.11 -1.89 -2.64 132.00 131.37 1o7c h PRO 95 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1o7c h PRO 95 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1o7c h PRO 95 CO 0.40 0.12 -0.87 0.72 -0.21 0.00 0.00 178.00 178.15 1o7c n HIS 96 N -4.42 0.00 -2.53 0.65 8.25 -1.26 -4.42 115.22 111.49 1o7c n HIS 96 Ca 0.27 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.54 1o7c n HIS 96 Cb 1.11 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.24 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 -1.94 -1.73 0.32 -1.41 0.00 -1.14 -4.77 120.51 109.84 1o7c n ALA 97 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1o7c n ALA 97 Cb 0.44 -0.92 0.15 0.00 0.00 0.00 0.00 19.45 19.11 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67