#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 4.08 0.36 1.61 0.11 -1.26 -2.46 120.40 122.83 1o7c s VAL 2 Ca 0.00 1.77 0.02 0.00 -2.93 0.00 0.00 61.98 60.84 1o7c s VAL 2 Cb 0.00 -4.00 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1o7c s VAL 2 CO 0.00 0.19 0.43 0.00 -3.33 0.00 0.00 175.10 172.38 1o7c n TYR 3 N 0.64 -1.25 -4.22 1.54 4.11 0.90 -4.94 117.16 113.93 1o7c n TYR 3 Ca 0.02 -2.60 -0.23 0.00 -0.00 0.00 0.00 57.90 55.09 1o7c n TYR 3 Cb 0.49 0.47 -0.07 0.00 -0.00 0.00 0.00 39.34 40.24 1o7c n TYR 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1o7c s HIS 4 N -3.04 2.72 0.16 -3.48 5.65 -1.26 0.86 115.29 116.90 1o7c s HIS 4 Ca 0.34 -0.28 -0.18 0.00 0.25 0.00 0.00 55.06 55.19 1o7c s HIS 4 Cb 0.00 -1.37 0.04 0.00 -1.18 0.00 0.00 32.58 30.08 1o7c s HIS 4 CO 0.24 0.52 0.49 1.03 -0.65 0.00 0.00 174.74 176.37 1o7c s ARG 5 N -3.74 1.22 0.20 2.88 1.81 0.12 -4.70 118.95 116.75 1o7c s ARG 5 Ca 0.34 -0.70 0.01 0.00 -1.72 0.00 0.00 55.73 53.66 1o7c s ARG 5 Cb -0.05 0.52 -0.00 0.00 -0.45 0.00 0.00 34.95 34.96 1o7c s ARG 5 CO 0.21 -0.51 0.04 -0.85 -0.68 0.00 0.00 175.30 173.51 1o7c n GLU 6 N -0.30 1.05 -2.94 3.54 0.00 -1.26 -1.30 120.64 119.42 1o7c n GLU 6 Ca -0.14 -1.60 -0.31 0.00 0.00 0.00 0.00 57.16 55.11 1o7c n GLU 6 Cb 0.64 0.68 -0.04 0.00 0.00 0.00 0.00 31.44 32.72 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 -2.46 3.35 0.66 -1.84 0.00 -1.23 -4.89 121.76 115.36 1o7c s ALA 7 Ca 0.06 -0.16 0.40 0.00 0.00 0.00 0.00 51.96 52.26 1o7c s ALA 7 Cb 0.00 -2.70 2.22 0.00 0.00 0.00 0.00 23.12 22.64 1o7c s ALA 7 CO 0.04 0.08 2.28 0.00 0.00 0.00 0.00 175.76 178.16 1o7c h ARG 8 N 1.51 0.00 0.00 0.00 2.47 -2.01 -0.53 114.38 115.82 1o7c h ARG 8 Ca -0.47 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.00 1o7c h ARG 8 Cb 1.18 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.46 1o7c h ARG 8 CO 0.64 0.00 -1.90 0.43 0.56 0.00 0.00 179.97 179.70 1o7c n SER 9 N -3.16 0.45 0.00 7.04 7.64 -1.26 -5.08 113.62 119.25 1o7c n SER 9 Ca -0.03 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1o7c n SER 9 Cb 0.13 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 1.54 3.17 3.58 0.23 0.00 -0.21 -5.12 105.19 108.38 1o7c n GLY 10 Ca -0.19 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.73 0.43 -3.25 1.61 4.81 -1.26 -3.49 118.16 115.28 1o7c n LYS 11 Ca 0.00 0.20 -0.07 0.00 -0.87 0.00 0.00 58.31 57.57 1o7c n LYS 11 Cb 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 -2.54 -2.72 -1.16 5.64 4.01 -1.09 -4.91 117.16 114.39 1o7c n TYR 12 Ca 0.12 1.04 0.00 0.00 -0.16 0.00 0.00 57.90 58.90 1o7c n TYR 12 Cb 0.50 -3.80 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 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 -2.11 0.00 -4.22 -0.72 5.02 -0.99 -4.61 118.16 110.52 1o7c n LYS 13 Ca -0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.98 1o7c n LYS 13 Cb 0.55 -0.01 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 1o7c n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1o7c s LEU 14 N 0.00 3.27 0.00 -0.35 0.05 -1.07 -4.82 118.68 115.76 1o7c s LEU 14 Ca 0.00 -0.65 0.00 0.00 0.05 0.00 0.00 54.13 53.53 1o7c s LEU 14 Cb 0.00 -1.78 0.00 0.00 -2.05 0.00 0.00 46.19 42.36 1o7c s LEU 14 CO 0.00 -0.10 0.00 0.35 -0.55 0.00 0.00 176.35 176.05 1o7c n THR 15 N -1.00 0.00 -0.16 5.48 -2.24 -1.25 -0.23 114.28 114.88 1o7c n THR 15 Ca -0.05 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1o7c n THR 15 Cb 0.60 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1o7c n THR 15 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7c h TYR 16 N 0.47 1.01 -0.31 4.78 3.20 -1.85 0.67 116.97 124.94 1o7c h TYR 16 Ca 0.00 -0.22 -0.16 0.00 3.14 0.00 0.00 58.73 61.49 1o7c h TYR 16 Cb 0.00 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1o7c h TYR 16 CO 0.00 0.99 -0.46 0.00 -1.64 0.00 0.00 178.16 177.05 1o7c h ALA 17 N 0.87 0.61 -0.18 1.82 0.00 -1.97 -2.59 119.26 117.83 1o7c h ALA 17 Ca 0.12 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1o7c h ALA 17 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1o7c h ALA 17 CO 0.05 0.68 -0.40 0.93 0.00 0.00 0.00 179.25 180.50 1o7c h GLU 18 N 0.64 0.58 -0.88 0.00 5.08 -1.86 -2.59 114.58 115.56 1o7c h GLU 18 Ca 0.04 -0.39 0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1o7c h GLU 18 Cb 1.03 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1o7c h GLU 18 CO 0.10 1.01 0.51 0.00 -1.00 0.00 0.00 179.01 179.62 1o7c h ALA 19 N 0.57 1.31 0.35 3.43 0.00 0.38 -2.28 119.26 123.02 1o7c h ALA 19 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1o7c h ALA 19 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1o7c h ALA 19 CO 0.09 0.07 -0.17 -0.22 0.00 0.00 0.00 179.25 179.02 1o7c h LYS 20 N 0.79 -0.46 -1.19 0.00 3.64 -1.44 -2.39 116.57 115.53 1o7c h LYS 20 Ca 0.45 0.03 0.37 0.00 -1.27 0.00 0.00 60.65 60.23 1o7c h LYS 20 Cb 0.50 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.30 1o7c h LYS 20 CO -0.29 -0.14 0.75 0.00 -2.27 0.00 0.00 179.45 177.50 1o7c h ALA 21 N -0.48 2.47 0.20 5.00 0.00 -1.16 1.37 119.26 126.66 1o7c h ALA 21 Ca -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1o7c h ALA 21 Cb 0.53 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1o7c h ALA 21 CO 0.08 -1.04 -0.10 0.28 0.00 0.00 0.00 179.25 178.48 1o7c h VAL 22 N 0.20 0.61 -0.10 0.00 2.07 -1.37 0.37 116.25 118.04 1o7c h VAL 22 Ca 0.74 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1o7c h VAL 22 Cb 2.13 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1o7c h VAL 22 CO -0.41 0.16 -0.20 0.00 0.02 0.00 0.00 177.57 177.14 1o7c n GLU 24 N -4.24 0.16 -0.35 0.00 2.13 0.46 -0.69 120.64 118.11 1o7c n GLU 24 Ca -0.01 0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.89 1o7c n GLU 24 Cb 0.30 -1.60 0.20 0.00 0.27 0.00 0.00 31.44 30.61 1o7c n GLU 24 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1o7c h PHE 25 N 0.00 1.15 -2.08 4.31 3.57 0.96 -2.91 116.94 121.94 1o7c h PHE 25 Ca 0.00 0.03 -0.66 0.00 3.53 0.00 0.00 57.97 60.87 1o7c h PHE 25 Cb 0.64 -0.38 -0.37 0.00 2.79 0.00 0.00 35.95 38.63 1o7c h PHE 25 CO 0.00 0.60 -0.10 0.39 -2.23 0.00 0.00 178.31 176.96 1o7c n GLU 26 N -4.50 3.72 -3.21 1.11 1.02 -1.24 -4.87 120.64 112.68 1o7c n GLU 26 Ca 0.15 -4.60 -0.21 0.00 -0.02 0.00 0.00 57.16 52.48 1o7c n GLU 26 Cb 0.19 -2.30 -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 -0.29 -0.49 3.81 0.62 0.00 -1.10 -4.95 105.19 102.79 1o7c n GLY 27 Ca 0.39 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.63 2.28 0.01 -0.02 0.00 0.13 -4.96 107.32 102.14 1o7c s GLY 28 Ca 0.34 -1.91 0.02 0.00 0.00 0.00 0.00 44.72 43.17 1o7c s GLY 28 CO 0.41 -1.84 -0.07 -2.38 0.00 0.00 0.00 173.10 169.22 1o7c s HIS 29 N -2.58 0.63 0.25 1.90 -3.43 -0.24 -3.10 115.29 108.72 1o7c s HIS 29 Ca 0.42 -0.24 -0.30 0.00 -0.80 0.00 0.00 55.06 54.14 1o7c s HIS 29 Cb 0.01 -0.39 -0.14 0.00 -1.43 0.00 0.00 32.58 30.63 1o7c s HIS 29 CO 0.24 -0.03 1.26 -0.11 -2.00 0.00 0.00 174.74 174.11 1o7c n LEU 30 N 2.39 2.62 -4.82 5.38 0.00 -1.26 0.09 117.00 121.39 1o7c n LEU 30 Ca -0.16 1.16 -0.33 0.00 0.00 0.00 0.00 56.01 56.68 1o7c n LEU 30 Cb 0.57 -1.37 -0.03 0.00 0.00 0.00 0.00 43.42 42.59 1o7c n LEU 30 CO 0.24 -0.82 0.69 0.00 0.00 0.00 0.00 177.39 177.50 1o7c s ALA 31 N -0.44 2.95 0.13 1.96 0.00 0.20 -4.70 121.76 121.86 1o7c s ALA 31 Ca 0.65 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1o7c s ALA 31 Cb -0.69 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.28 1o7c s ALA 31 CO 0.54 -0.36 0.13 0.25 0.00 0.00 0.00 175.76 176.32 1o7c n THR 32 N -1.53 0.00 0.04 0.00 -2.24 -1.26 -3.26 114.28 106.03 1o7c n THR 32 Ca 0.07 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1o7c n THR 32 Cb 0.54 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.36 -0.12 -0.97 4.78 3.20 -1.96 -0.72 116.97 121.54 1o7c h TYR 33 Ca -0.08 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.06 1o7c h TYR 33 Cb 0.30 0.04 -0.14 0.00 1.54 0.00 0.00 36.73 38.47 1o7c h TYR 33 CO 0.00 -0.07 0.52 0.87 -1.64 0.00 0.00 178.16 177.83 1o7c h LYS 34 N -0.25 0.40 -0.04 1.82 1.79 -1.99 0.22 116.57 118.51 1o7c h LYS 34 Ca -0.01 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1o7c h LYS 34 Cb 0.10 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1o7c h LYS 34 CO 0.02 0.26 0.01 1.96 -1.08 0.00 0.00 179.45 180.62 1o7c h GLN 35 N 0.41 0.07 -0.03 3.15 4.20 -1.97 -1.49 115.11 119.45 1o7c h GLN 35 Ca 0.66 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.36 1o7c h GLN 35 Cb 1.37 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1o7c h GLN 35 CO -0.56 0.29 0.05 1.25 -0.67 0.00 0.00 178.83 179.19 1o7c h LEU 36 N -0.16 0.00 0.24 1.46 7.12 0.91 -1.24 115.31 123.64 1o7c h LEU 36 Ca 0.01 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 1o7c h LEU 36 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1o7c h LEU 36 CO 0.00 0.00 -0.12 -0.08 -0.13 0.00 0.00 178.44 178.11 1o7c h GLU 37 N 0.00 -0.31 0.00 1.25 4.57 -0.25 -0.18 114.58 119.66 1o7c h GLU 37 Ca 0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1o7c h GLU 37 Cb 0.11 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1o7c h GLU 37 CO -0.00 -0.21 0.07 0.00 -1.18 0.00 0.00 179.01 177.69 1o7c n ALA 38 N -2.59 0.93 -0.06 2.92 0.00 -0.62 -0.00 120.51 121.08 1o7c n ALA 38 Ca -0.04 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 1o7c n ALA 38 Cb 0.13 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 1o7c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7c n ALA 39 N -1.66 1.50 0.08 0.00 0.00 -0.50 -4.08 120.51 115.85 1o7c n ALA 39 Ca -0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 53.44 52.33 1o7c n ALA 39 Cb 0.09 -0.52 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 0.27 0.00 0.00 1.12 0.15 -1.86 114.38 114.06 1o7c h ARG 40 Ca -0.42 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.28 1o7c h ARG 40 Cb 2.13 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 32.11 1o7c h ARG 40 CO 0.05 0.77 0.00 0.87 -3.11 0.00 0.00 179.97 178.56 1o7c h LYS 41 N 0.20 0.00 0.00 0.20 1.57 -1.31 -2.12 116.57 115.11 1o7c h LYS 41 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o7c h LYS 41 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1o7c h LYS 41 CO 0.09 0.00 -0.75 0.44 -0.57 0.00 0.00 179.45 178.66 1o7c n ILE 42 N -2.56 0.31 0.00 1.86 -5.35 -1.04 -4.90 119.36 107.68 1o7c n ILE 42 Ca 0.01 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1o7c n ILE 42 Cb 0.25 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 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 1.22 3.61 3.28 0.00 -0.81 -5.10 105.19 108.74 1o7c n GLY 43 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.38 2.95 -0.06 1.61 5.36 -0.73 -4.99 117.98 120.75 1o7c s PHE 44 Ca 0.00 0.90 -0.00 0.00 -0.96 0.00 0.00 56.93 56.87 1o7c s PHE 44 Cb 0.00 -4.13 0.03 0.00 -0.34 0.00 0.00 43.02 38.58 1o7c s PHE 44 CO 0.00 -1.07 -0.02 -1.58 -1.46 0.00 0.00 175.22 171.10 1o7c s HIS 45 N 4.12 0.69 -0.36 10.12 5.65 -1.26 -4.29 115.29 129.95 1o7c s HIS 45 Ca 0.47 -0.19 0.02 0.00 0.25 0.00 0.00 55.06 55.61 1o7c s HIS 45 Cb -0.09 -0.74 0.15 0.00 -1.18 0.00 0.00 32.58 30.72 1o7c s HIS 45 CO 0.25 -0.27 0.29 0.08 -0.65 0.00 0.00 174.74 174.44 1o7c s VAL 46 N 1.52 -0.07 -0.97 0.89 1.01 -1.26 -4.94 120.40 116.57 1o7c s VAL 46 Ca -0.02 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.28 1o7c s VAL 46 Cb -0.13 -0.91 -0.14 0.00 0.00 0.00 0.00 36.38 35.20 1o7c s VAL 46 CO -0.03 -0.82 2.15 0.00 0.00 0.00 0.00 175.10 176.40 1o7c n ALA 48 N 17.35 0.00 -1.32 0.00 0.00 -1.26 -5.11 120.51 130.17 1o7c n ALA 48 Ca 0.43 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 53.30 1o7c n ALA 48 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.37 -3.19 0.00 0.00 -1.26 -4.68 120.51 111.01 1o7c n ALA 49 Ca 0.00 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1o7c n ALA 49 Cb 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 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 4.41 1.62 0.63 0.00 0.00 -0.43 -0.86 107.32 112.69 1o7c s GLY 50 Ca 1.04 -0.97 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 1o7c s GLY 50 CO 0.66 0.07 1.17 0.79 0.00 0.00 0.00 173.10 175.79 1o7c n TRP 51 N 3.98 1.51 -3.90 1.90 7.02 -1.05 -3.13 117.44 123.76 1o7c n TRP 51 Ca -0.18 0.43 -0.02 0.00 -1.02 0.00 0.00 57.50 56.70 1o7c n TRP 51 Cb 0.52 -2.22 0.02 0.00 -2.42 0.00 0.00 31.31 27.21 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 -3.11 1.19 1.20 -0.99 0.23 0.83 -3.38 119.30 115.27 1o7c s MET 52 Ca 0.80 -0.77 0.00 0.00 -1.03 0.00 0.00 55.69 54.69 1o7c s MET 52 Cb -0.40 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.24 1o7c s MET 52 CO 0.43 -0.56 0.00 0.00 -2.03 0.00 0.00 175.02 172.86 1o7c n ALA 53 N -0.74 0.00 0.20 3.16 0.00 -1.20 -0.01 120.51 121.92 1o7c n ALA 53 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1o7c n ALA 53 Cb 0.59 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 -0.61 0.04 0.00 0.00 5.02 -1.26 -4.30 118.16 117.05 1o7c n LYS 54 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 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 -0.93 0.00 3.73 0.72 0.00 -1.00 -5.13 105.19 102.58 1o7c n GLY 55 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.26 -0.16 1.61 0.52 0.98 -4.57 118.95 121.59 1o7c s ARG 56 Ca 0.00 0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1o7c s ARG 56 Cb 0.00 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 32.07 1o7c s ARG 56 CO 0.00 0.24 -0.20 0.54 0.02 0.00 0.00 175.30 175.90 1o7c s VAL 57 N 0.44 1.97 0.16 3.52 0.11 -1.26 -0.12 120.40 125.22 1o7c s VAL 57 Ca 0.20 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1o7c s VAL 57 Cb -0.14 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 32.93 1o7c s VAL 57 CO 0.06 0.53 0.05 0.61 -3.33 0.00 0.00 175.10 173.02 1o7c n GLY 58 N 4.47 3.78 2.73 6.54 0.00 -1.18 -4.50 105.19 117.02 1o7c n GLY 58 Ca -0.20 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.11 1.54 0.00 1.61 2.02 -0.91 -1.31 117.35 118.19 1o7c s TYR 59 Ca 0.08 -1.55 0.00 0.00 -0.37 0.00 0.00 57.07 55.22 1o7c s TYR 59 Cb 0.00 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1o7c s TYR 59 CO 0.05 -0.83 0.39 -0.35 -1.57 0.00 0.00 175.55 173.24 1o7c n PRO 60 N 4.90 0.00 -1.51 -1.71 -0.04 -1.26 -0.64 135.00 134.74 1o7c n PRO 60 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1o7c n PRO 60 Cb 0.43 -0.89 -0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1o7c n PRO 60 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1o7c n ILE 61 N -0.41 -5.14 0.08 0.52 2.08 -1.26 -3.95 119.36 111.28 1o7c n ILE 61 Ca 0.00 0.76 -0.09 0.00 0.56 0.00 0.00 62.75 63.98 1o7c n ILE 61 Cb 0.00 -3.98 -0.05 0.00 -0.75 0.00 0.00 39.64 34.86 1o7c n ILE 61 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1o7c h VAL 62 N 1.05 1.54 -3.50 1.39 3.04 -1.92 -3.40 116.25 114.45 1o7c h VAL 62 Ca -0.06 -2.84 -0.64 0.00 -1.01 0.00 0.00 66.70 62.15 1o7c h VAL 62 Cb 0.13 2.61 -0.40 0.00 -2.01 0.00 0.00 31.29 31.62 1o7c h VAL 62 CO 0.00 0.82 -0.71 -0.54 -1.01 0.00 0.00 177.57 176.14 1o7c s LYS 63 N -3.03 1.46 -0.57 4.17 -0.14 -1.26 -5.03 119.74 115.33 1o7c s LYS 63 Ca -0.02 -1.92 -0.28 0.00 -1.36 0.00 0.00 55.97 52.39 1o7c s LYS 63 Cb 0.10 -3.00 -0.10 0.00 -1.68 0.00 0.00 37.83 33.15 1o7c s LYS 63 CO 0.83 -1.00 2.45 -2.30 -0.76 0.00 0.00 175.35 174.58 1o7c n PRO 64 N 4.06 0.88 -0.65 -1.68 -0.02 -1.26 -4.89 135.00 131.43 1o7c n PRO 64 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1o7c n PRO 64 Cb 0.39 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1o7c n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o7c n GLY 65 N 6.13 1.32 0.00 -1.23 0.00 -1.22 -4.63 105.19 105.56 1o7c n GLY 65 Ca 0.43 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1o7c n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o7c n PRO 66 N -0.82 0.00 0.09 1.61 -0.04 -1.26 -2.20 135.00 132.38 1o7c n PRO 66 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1o7c n PRO 66 Cb 0.00 -0.26 0.45 0.00 -0.04 0.00 0.00 33.50 33.65 1o7c n PRO 66 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1o7c n ASN 67 N -0.04 0.63 -2.82 3.54 0.23 -1.26 -0.37 115.26 115.17 1o7c n ASN 67 Ca 0.00 0.59 -0.34 0.00 -0.53 0.00 0.00 54.58 54.30 1o7c n ASN 67 Cb 0.00 -0.75 0.01 0.00 -2.08 0.00 0.00 39.78 36.97 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o7c n GLY 69 N -0.44 0.26 3.03 0.00 0.00 -1.23 -3.40 105.19 103.40 1o7c n GLY 69 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 -1.68 -3.56 1.61 7.35 0.51 -0.15 117.46 121.54 1o7c n PHE 70 Ca 0.00 0.29 -0.23 0.00 -0.76 0.00 0.00 57.45 56.75 1o7c n PHE 70 Cb 0.00 -2.69 0.08 0.00 0.35 0.00 0.00 39.48 37.22 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 -1.00 -0.50 3.82 7.13 0.00 -1.00 -5.00 105.19 108.66 1o7c n GLY 71 Ca -0.05 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.19 3.06 -0.09 1.61 1.02 0.79 -5.06 119.74 114.88 1o7c s LYS 72 Ca 0.52 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1o7c s LYS 72 Cb -0.23 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1o7c s LYS 72 CO 0.71 0.58 -0.20 0.95 -0.92 0.00 0.00 175.35 176.47 1o7c s THR 73 N -1.44 1.78 0.00 2.17 -4.23 -1.26 -4.38 115.64 108.29 1o7c s THR 73 Ca 0.31 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1o7c s THR 73 Cb -0.12 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1o7c s THR 73 CO 0.24 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1o7c n GLY 74 N 3.60 -1.22 3.55 3.99 0.00 -1.26 -4.76 105.19 109.09 1o7c n GLY 74 Ca -0.20 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.24 3.15 -0.98 -0.61 1.09 -1.25 -4.47 121.20 115.88 1o7c s ILE 75 Ca 0.00 0.09 -0.24 0.00 -1.10 0.00 0.00 60.65 59.40 1o7c s ILE 75 Cb 0.00 -3.39 -0.06 0.00 -1.06 0.00 0.00 42.46 37.95 1o7c s ILE 75 CO 0.00 -0.37 1.95 -0.63 -0.10 0.00 0.00 174.94 175.78 1o7c s ILE 76 N 10.79 3.47 -0.24 2.92 -1.09 0.19 -4.70 121.20 132.55 1o7c s ILE 76 Ca 0.85 -0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 58.69 1o7c s ILE 76 Cb -0.16 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.54 1o7c s ILE 76 CO 0.24 -0.95 0.02 -0.62 -1.23 0.00 0.00 174.94 172.41 1o7c s ASP 77 N 7.61 4.80 0.02 3.58 2.15 -1.26 -2.15 116.67 131.43 1o7c s ASP 77 Ca 0.70 -0.28 0.24 0.00 0.43 0.00 0.00 52.55 53.64 1o7c s ASP 77 Cb -0.05 -1.85 0.37 0.00 -0.30 0.00 0.00 42.92 41.09 1o7c s ASP 77 CO 0.03 -0.03 1.31 -1.22 -0.17 0.00 0.00 175.17 175.10 1o7c n TYR 78 N 4.86 0.12 0.00 -5.34 4.02 -1.26 -5.05 117.16 114.51 1o7c n TYR 78 Ca -0.17 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1o7c n TYR 78 Cb 0.51 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 1.46 1.16 3.68 2.72 0.00 -1.26 -4.95 105.19 107.99 1o7c n GLY 79 Ca 0.05 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.62 2.87 -2.03 -0.61 1.01 -1.26 -4.60 121.20 114.96 1o7c s ILE 80 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 60.65 60.93 1o7c s ILE 80 Cb 0.00 -3.09 0.39 0.00 0.01 0.00 0.00 42.46 39.77 1o7c s ILE 80 CO 0.00 -0.01 1.34 0.54 0.00 0.00 0.00 174.94 176.81 1o7c n ARG 81 N 6.53 2.00 -3.48 2.79 3.00 -1.26 -4.91 116.66 121.33 1o7c n ARG 81 Ca 0.18 -1.55 -0.24 0.00 -0.01 0.00 0.00 57.85 56.23 1o7c n ARG 81 Cb 0.40 -1.35 0.07 0.00 0.00 0.00 0.00 32.46 31.58 1o7c n ARG 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1o7c n LEU 82 N 0.76 -3.19 -3.16 0.55 -0.00 -1.26 -4.95 117.00 105.76 1o7c n LEU 82 Ca 0.15 -0.49 -0.21 0.00 -0.00 0.00 0.00 56.01 55.46 1o7c n LEU 82 Cb 0.37 -3.00 -0.06 0.00 -0.00 0.00 0.00 43.42 40.73 1o7c n LEU 82 CO 0.10 0.55 -0.19 0.59 -0.00 0.00 0.00 177.39 178.44 1o7c n ASN 83 N -2.89 -0.95 -0.34 1.96 4.13 -1.26 -4.95 115.26 110.95 1o7c n ASN 83 Ca -0.02 -2.67 0.00 0.00 1.68 0.00 0.00 54.58 53.57 1o7c n ASN 83 Cb 0.57 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1o7c n ARG 84 N 2.20 0.73 -0.07 3.52 3.00 -1.26 -2.36 116.66 122.41 1o7c n ARG 84 Ca 0.23 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 58.10 1o7c n ARG 84 Cb 0.53 -1.25 0.07 0.00 0.00 0.00 0.00 32.46 31.81 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 -0.07 2.24 -2.92 0.55 7.64 -1.26 -3.23 113.62 116.57 1o7c n SER 85 Ca 0.00 -1.77 -0.06 0.00 1.01 0.00 0.00 58.87 58.05 1o7c n SER 85 Cb 0.12 -0.10 0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.21 -2.16 -3.73 1.43 -0.58 -1.00 -4.87 120.64 109.94 1o7c n GLU 86 Ca 0.06 -0.32 -0.26 0.00 -0.42 0.00 0.00 57.16 56.23 1o7c n GLU 86 Cb 0.30 -0.36 -0.17 0.00 -0.57 0.00 0.00 31.44 30.64 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 -3.45 0.54 0.00 3.49 1.04 -1.25 -3.78 118.95 115.55 1o7c s ARG 87 Ca 0.14 -0.18 0.00 0.00 -1.04 0.00 0.00 55.73 54.65 1o7c s ARG 87 Cb -0.02 -1.66 0.00 0.00 -2.04 0.00 0.00 34.95 31.23 1o7c s ARG 87 CO 0.11 -0.52 0.00 0.91 -0.04 0.00 0.00 175.30 175.76 1o7c n TRP 88 N 5.12 0.00 -3.38 5.89 7.02 0.68 -4.47 117.44 128.30 1o7c n TRP 88 Ca -0.08 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.37 1o7c n TRP 88 Cb 0.48 0.00 0.00 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 0.92 -3.68 -0.99 9.92 -0.04 -2.36 116.55 120.32 1o7c n ASP 89 Ca 0.00 -1.23 -0.18 0.00 -0.53 0.00 0.00 54.79 52.85 1o7c n ASP 89 Cb 0.00 -0.02 -0.17 0.00 -0.64 0.00 0.00 41.12 40.29 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 -2.10 0.06 -0.44 2.24 0.00 -0.42 -2.53 121.76 118.58 1o7c s ALA 90 Ca 0.05 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 1o7c s ALA 90 Cb -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1o7c s ALA 90 CO 0.03 -0.46 0.69 0.71 0.00 0.00 0.00 175.76 176.74 1o7c s TYR 91 N 2.05 3.05 0.65 0.00 2.02 -1.22 0.16 117.35 124.06 1o7c s TYR 91 Ca 0.02 0.05 -0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1o7c s TYR 91 Cb -0.12 -3.44 0.04 0.00 -0.40 0.00 0.00 41.96 38.04 1o7c s TYR 91 CO -0.04 -0.89 0.95 0.00 -1.57 0.00 0.00 175.55 174.00 1o7c s TYR 93 N -3.10 -1.13 0.01 0.00 6.14 0.11 -0.07 117.35 119.31 1o7c s TYR 93 Ca 0.57 2.10 0.00 0.00 0.64 0.00 0.00 57.07 60.38 1o7c s TYR 93 Cb -0.11 0.65 -0.01 0.00 0.42 0.00 0.00 41.96 42.92 1o7c s TYR 93 CO 0.44 -0.57 -0.01 -0.80 0.64 0.00 0.00 175.55 175.24 1o7c s ASN 94 N 2.30 0.13 0.46 4.32 -0.87 -1.03 -1.08 114.94 119.17 1o7c s ASN 94 Ca -0.07 -0.18 0.26 0.00 -1.57 0.00 0.00 52.86 51.29 1o7c s ASN 94 Cb -0.09 0.03 1.30 0.00 -0.02 0.00 0.00 41.25 42.47 1o7c s ASN 94 CO -0.18 -0.10 1.80 -0.65 -2.57 0.00 0.00 177.10 175.40 1o7c h PRO 95 N 5.60 0.21 0.00 -0.60 0.11 -1.94 -3.13 132.00 132.25 1o7c h PRO 95 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1o7c h PRO 95 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1o7c h PRO 95 CO 0.47 0.14 -0.74 1.58 -0.21 0.00 0.00 178.00 179.24 1o7c n HIS 96 N -4.43 0.00 -3.41 0.65 -0.00 -1.26 -4.57 115.22 102.20 1o7c n HIS 96 Ca 0.24 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.66 1o7c n HIS 96 Cb 0.99 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 31.00 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o7c n ALA 97 N -1.65 -2.33 0.90 1.57 0.00 -1.18 -4.17 120.51 113.65 1o7c n ALA 97 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1o7c n ALA 97 Cb 0.37 -1.39 0.43 0.00 0.00 0.00 0.00 19.45 18.86 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67