#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7b s VAL 2 N 0.00 5.18 0.19 1.61 0.11 -1.26 -1.75 120.40 124.48 1o7b s VAL 2 Ca 0.00 0.98 0.07 0.00 -2.93 0.00 0.00 61.98 60.10 1o7b s VAL 2 Cb 0.00 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1o7b s VAL 2 CO 0.00 0.31 -0.13 -0.72 -3.33 0.00 0.00 175.10 171.23 1o7b s TYR 3 N 0.71 1.59 0.04 1.54 1.13 0.37 -4.93 117.35 117.80 1o7b s TYR 3 Ca 0.26 -0.63 -0.09 0.00 -1.41 0.00 0.00 57.07 55.21 1o7b s TYR 3 Cb -0.15 -0.76 -0.05 0.00 -1.10 0.00 0.00 41.96 39.90 1o7b s TYR 3 CO 0.11 0.28 0.35 -3.38 -2.51 0.00 0.00 175.55 170.40 1o7b s HIS 4 N -3.07 3.60 0.05 -3.49 -3.43 -1.26 0.21 115.29 107.90 1o7b s HIS 4 Ca 0.21 0.74 -0.04 0.00 -0.80 0.00 0.00 55.06 55.17 1o7b s HIS 4 Cb 0.00 -2.11 -0.02 0.00 -1.43 0.00 0.00 32.58 29.02 1o7b s HIS 4 CO 0.05 0.57 0.06 1.03 -2.00 0.00 0.00 174.74 174.46 1o7b s ARG 5 N -1.71 0.62 0.00 -0.38 1.81 0.58 -4.85 118.95 115.03 1o7b s ARG 5 Ca 0.29 -0.93 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 1o7b s ARG 5 Cb -0.14 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.60 1o7b s ARG 5 CO 0.16 -0.15 0.00 -1.91 -0.68 0.00 0.00 175.30 172.72 1o7b n GLU 6 N 0.47 1.94 -4.08 3.54 4.07 -1.26 -2.00 120.64 123.32 1o7b n GLU 6 Ca -0.17 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.64 1o7b n GLU 6 Cb 0.60 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.91 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1o7b s ALA 7 N -2.00 3.51 -1.30 4.31 0.00 -1.23 -4.76 121.76 120.29 1o7b s ALA 7 Ca 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 50.95 1o7b s ALA 7 Cb 0.00 -1.36 0.47 0.00 0.00 0.00 0.00 23.12 22.23 1o7b s ALA 7 CO 0.00 0.66 1.23 0.54 0.00 0.00 0.00 175.76 178.19 1o7b n ARG 8 N 0.21 0.10 -0.05 0.00 1.74 -1.26 -1.96 116.66 115.44 1o7b n ARG 8 Ca -0.09 0.24 -0.03 0.00 -0.77 0.00 0.00 57.85 57.19 1o7b n ARG 8 Cb 0.53 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 1o7b n ARG 8 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1o7b n SER 9 N -1.35 1.86 0.00 0.55 7.64 -1.26 -5.11 113.62 115.95 1o7b n SER 9 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1o7b n SER 9 Cb 0.09 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 1o7b n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o7b n GLY 10 N 2.11 1.99 3.70 0.23 0.00 -0.83 -5.05 105.19 107.34 1o7b n GLY 10 Ca -0.17 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1o7b n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7b n LYS 11 N -1.50 2.53 -3.19 1.61 4.81 -1.26 -3.27 118.16 117.88 1o7b n LYS 11 Ca 0.00 0.91 -0.05 0.00 -0.87 0.00 0.00 58.31 58.30 1o7b n LYS 11 Cb 0.00 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.34 1o7b n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1o7b n TYR 12 N 3.42 -2.81 -1.21 5.64 4.01 -1.24 -4.94 117.16 120.03 1o7b n TYR 12 Ca 0.15 1.07 0.00 0.00 -0.16 0.00 0.00 57.90 58.96 1o7b n TYR 12 Cb 0.33 -3.89 0.00 0.00 -0.31 0.00 0.00 39.34 35.47 1o7b n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1o7b n LYS 13 N -1.98 0.00 -3.24 -0.72 5.02 -1.08 -4.50 118.16 111.67 1o7b n LYS 13 Ca -0.06 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.05 1o7b n LYS 13 Cb 0.54 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1o7b s LEU 14 N 0.00 3.81 0.00 -0.35 0.05 -1.06 -4.78 118.68 116.35 1o7b s LEU 14 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 53.90 1o7b s LEU 14 Cb 0.00 -2.72 0.00 0.00 -2.05 0.00 0.00 46.19 41.42 1o7b s LEU 14 CO 0.00 -0.60 0.00 0.35 -0.55 0.00 0.00 176.35 175.55 1o7b n THR 15 N -1.76 0.00 -0.05 5.48 -2.24 -1.26 -0.80 114.28 113.65 1o7b n THR 15 Ca 0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1o7b n THR 15 Cb 0.59 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1o7b n THR 15 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7b h TYR 16 N 0.00 -0.01 -0.17 4.78 3.20 -1.84 -0.66 116.97 122.27 1o7b h TYR 16 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1o7b h TYR 16 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1o7b h TYR 16 CO 0.00 0.38 0.11 0.00 -1.64 0.00 0.00 178.16 177.01 1o7b h ALA 17 N -0.61 1.89 0.27 1.82 0.00 -1.98 -0.67 119.26 119.98 1o7b h ALA 17 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1o7b h ALA 17 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1o7b h ALA 17 CO 0.00 0.10 -0.13 0.93 0.00 0.00 0.00 179.25 180.15 1o7b h GLU 18 N 0.22 -0.36 -1.02 0.00 5.08 -1.96 -2.74 114.58 113.81 1o7b h GLU 18 Ca 0.06 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.72 1o7b h GLU 18 Cb -0.01 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.19 1o7b h GLU 18 CO -0.01 -0.15 0.60 0.00 -1.00 0.00 0.00 179.01 178.45 1o7b h ALA 19 N -0.94 1.91 0.08 3.43 0.00 -0.89 0.22 119.26 123.06 1o7b h ALA 19 Ca -0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1o7b h ALA 19 Cb 0.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1o7b h ALA 19 CO 0.06 -0.41 -0.04 -0.22 0.00 0.00 0.00 179.25 178.64 1o7b h LYS 20 N 0.49 -0.10 -0.46 0.00 3.64 -1.18 -2.22 116.57 116.73 1o7b h LYS 20 Ca 0.67 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 60.02 1o7b h LYS 20 Cb 1.40 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 1o7b h LYS 20 CO -0.49 0.15 0.17 0.00 -2.27 0.00 0.00 179.45 177.01 1o7b h ALA 21 N 0.56 0.60 -0.97 5.00 0.00 -0.78 0.49 119.26 124.15 1o7b h ALA 21 Ca -0.01 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1o7b h ALA 21 Cb 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1o7b h ALA 21 CO 0.02 0.22 0.62 0.28 0.00 0.00 0.00 179.25 180.38 1o7b h VAL 22 N 0.60 0.91 0.29 0.00 2.07 -0.64 0.26 116.25 119.75 1o7b h VAL 22 Ca 0.15 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1o7b h VAL 22 Cb 0.22 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1o7b h VAL 22 CO -0.01 0.17 -0.14 0.00 0.02 0.00 0.00 177.57 177.61 1o7b n GLU 24 N -5.03 0.02 0.04 0.00 -0.58 0.13 -0.59 120.64 114.62 1o7b n GLU 24 Ca -0.06 0.48 -0.11 0.00 -0.42 0.00 0.00 57.16 57.05 1o7b n GLU 24 Cb 0.19 -1.61 -0.13 0.00 -0.57 0.00 0.00 31.44 29.31 1o7b n GLU 24 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1o7b h PHE 25 N 0.00 0.18 -0.01 -0.32 3.57 -0.47 -3.29 116.94 116.59 1o7b h PHE 25 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1o7b h PHE 25 Cb 0.09 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1o7b h PHE 25 CO 0.00 1.15 -0.30 0.39 -2.23 0.00 0.00 178.31 177.32 1o7b n GLU 26 N -3.31 0.99 -0.02 1.11 1.02 0.24 -4.95 120.64 115.72 1o7b n GLU 26 Ca -0.11 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1o7b n GLU 26 Cb 1.01 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1o7b n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7b n GLY 27 N 1.35 0.83 0.00 0.62 0.00 -0.81 -5.06 105.19 102.13 1o7b n GLY 27 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1o7b n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7b n GLY 28 N -0.02 0.55 3.42 -0.02 0.00 -1.05 -4.63 105.19 103.45 1o7b n GLY 28 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1o7b n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7b s HIS 29 N -2.01 0.08 0.00 1.61 -3.43 -0.31 -2.33 115.29 108.91 1o7b s HIS 29 Ca 0.00 -0.43 -0.30 0.00 -0.80 0.00 0.00 55.06 53.53 1o7b s HIS 29 Cb 0.00 0.19 -0.08 0.00 -1.43 0.00 0.00 32.58 31.26 1o7b s HIS 29 CO 0.00 -0.80 1.83 -0.51 -2.00 0.00 0.00 174.74 173.25 1o7b s LEU 30 N -2.90 4.39 0.00 5.38 1.43 -1.26 -0.77 118.68 124.94 1o7b s LEU 30 Ca 0.11 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1o7b s LEU 30 Cb 0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1o7b s LEU 30 CO -0.03 -1.00 0.00 0.00 0.23 0.00 0.00 176.35 175.55 1o7b n ALA 31 N 7.27 0.00 -2.16 4.21 0.00 -0.75 -4.68 120.51 124.40 1o7b n ALA 31 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 1o7b n ALA 31 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1o7b n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1o7b s THR 32 N -0.61 0.51 0.15 0.00 -4.23 -1.26 -3.00 115.64 107.19 1o7b s THR 32 Ca 0.00 -1.90 -0.24 0.00 -1.18 0.00 0.00 61.69 58.37 1o7b s THR 32 Cb 0.00 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 72.12 1o7b s THR 32 CO 0.00 -0.82 1.62 0.22 -0.54 0.00 0.00 174.62 175.10 1o7b h TYR 33 N 2.97 -0.78 -0.47 3.99 3.20 -1.96 0.90 116.97 124.81 1o7b h TYR 33 Ca -0.35 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.65 1o7b h TYR 33 Cb 1.17 0.38 -0.07 0.00 1.54 0.00 0.00 36.73 39.74 1o7b h TYR 33 CO 0.55 -0.36 0.04 -0.22 -1.64 0.00 0.00 178.16 176.53 1o7b h LYS 34 N -0.31 0.15 -0.39 1.82 3.64 -2.00 0.11 116.57 119.58 1o7b h LYS 34 Ca 0.12 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1o7b h LYS 34 Cb 0.51 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1o7b h LYS 34 CO -0.39 0.10 0.26 1.96 -2.27 0.00 0.00 179.45 179.11 1o7b h GLN 35 N 0.16 0.47 -0.20 1.90 4.20 -1.71 -0.31 115.11 119.61 1o7b h GLN 35 Ca 0.24 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1o7b h GLN 35 Cb 0.34 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1o7b h GLN 35 CO -0.36 0.31 -0.15 -0.07 -0.67 0.00 0.00 178.83 177.89 1o7b h LEU 36 N 0.48 0.31 0.61 1.46 -0.00 0.16 -2.25 115.31 116.09 1o7b h LEU 36 Ca 0.15 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1o7b h LEU 36 Cb 0.01 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1o7b h LEU 36 CO -0.03 0.49 -0.29 -0.08 -0.00 0.00 0.00 178.44 178.52 1o7b h GLU 37 N 0.30 -0.79 -0.78 1.13 4.81 -0.21 -1.20 114.58 117.84 1o7b h GLU 37 Ca 0.06 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.56 1o7b h GLU 37 Cb 0.46 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1o7b h GLU 37 CO 0.03 -0.48 0.55 0.00 -0.73 0.00 0.00 179.01 178.38 1o7b h ALA 38 N -0.81 2.64 -0.00 2.92 0.00 -1.39 0.76 119.26 123.38 1o7b h ALA 38 Ca -0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1o7b h ALA 38 Cb 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1o7b h ALA 38 CO 0.14 -0.87 -0.71 0.00 0.00 0.00 0.00 179.25 177.81 1o7b h ALA 39 N 1.62 0.83 -0.01 0.00 0.00 -1.11 -3.16 119.26 117.43 1o7b h ALA 39 Ca 0.38 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 1o7b h ALA 39 Cb 1.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1o7b h ALA 39 CO -0.03 0.88 -0.93 -0.09 0.00 0.00 0.00 179.25 179.09 1o7b h ARG 40 N 0.01 0.45 -0.45 0.00 2.43 0.17 -1.77 114.38 115.23 1o7b h ARG 40 Ca -0.01 -0.47 0.13 0.00 -0.81 0.00 0.00 59.98 58.82 1o7b h ARG 40 Cb 1.25 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 1o7b h ARG 40 CO 0.09 1.12 0.52 0.87 -1.51 0.00 0.00 179.97 181.06 1o7b h LYS 41 N 0.26 0.00 0.03 0.20 1.57 -1.06 0.85 116.57 118.41 1o7b h LYS 41 Ca -0.08 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.36 1o7b h LYS 41 Cb 1.56 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 1o7b h LYS 41 CO 0.16 0.00 -2.05 0.44 -0.57 0.00 0.00 179.45 177.44 1o7b n ILE 42 N -3.60 1.58 0.00 1.86 -5.35 -1.19 -4.99 119.36 107.66 1o7b n ILE 42 Ca 0.08 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1o7b n ILE 42 Cb 0.70 -1.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1o7b n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1o7b n GLY 43 N 1.80 0.70 3.42 3.28 0.00 0.29 -5.07 105.19 109.61 1o7b n GLY 43 Ca -0.28 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 1o7b n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7b n PHE 44 N 0.00 4.93 -4.04 1.61 7.35 -0.67 -4.99 117.46 121.64 1o7b n PHE 44 Ca 0.00 -3.42 -0.35 0.00 -0.76 0.00 0.00 57.45 52.92 1o7b n PHE 44 Cb 0.00 -2.10 -0.09 0.00 0.35 0.00 0.00 39.48 37.65 1o7b n PHE 44 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1o7b s HIS 45 N 1.03 3.33 -0.27 -5.13 5.65 -1.26 -4.61 115.29 114.03 1o7b s HIS 45 Ca 0.41 0.23 -0.17 0.00 0.25 0.00 0.00 55.06 55.78 1o7b s HIS 45 Cb -0.03 -1.98 0.08 0.00 -1.18 0.00 0.00 32.58 29.46 1o7b s HIS 45 CO -0.01 0.39 0.66 0.54 -0.65 0.00 0.00 174.74 175.67 1o7b s VAL 46 N -0.28 -0.00 -1.34 0.89 0.11 -0.76 -4.93 120.40 114.08 1o7b s VAL 46 Ca 0.09 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1o7b s VAL 46 Cb -0.12 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1o7b s VAL 46 CO 0.01 0.00 2.63 0.00 -3.33 0.00 0.00 175.10 174.42 1o7b s ALA 48 N -0.04 -1.44 0.07 0.00 0.00 -1.26 -4.93 121.76 114.16 1o7b s ALA 48 Ca 0.60 -0.30 -0.36 0.00 0.00 0.00 0.00 51.96 51.90 1o7b s ALA 48 Cb 0.20 -2.39 -0.19 0.00 0.00 0.00 0.00 23.12 20.74 1o7b s ALA 48 CO -0.09 -2.15 0.93 0.00 0.00 0.00 0.00 175.76 174.45 1o7b n ALA 49 N 4.41 -3.21 -3.65 0.00 0.00 -1.24 -4.61 120.51 112.21 1o7b n ALA 49 Ca 0.10 0.55 -0.35 0.00 0.00 0.00 0.00 53.44 53.74 1o7b n ALA 49 Cb 0.51 -1.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 1o7b n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7b s GLY 50 N -0.27 1.57 -0.04 0.00 0.00 0.08 0.62 107.32 109.28 1o7b s GLY 50 Ca 0.82 -1.23 -0.33 0.00 0.00 0.00 0.00 44.72 43.98 1o7b s GLY 50 CO 0.56 0.42 1.87 0.79 0.00 0.00 0.00 173.10 176.74 1o7b n TRP 51 N 4.75 2.37 -4.25 1.90 7.02 -1.06 -4.15 117.44 124.01 1o7b n TRP 51 Ca -0.18 -0.05 -0.16 0.00 -1.02 0.00 0.00 57.50 56.08 1o7b n TRP 51 Cb 0.50 -2.68 -0.09 0.00 -2.42 0.00 0.00 31.31 26.62 1o7b n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7b s MET 52 N 3.81 1.51 0.79 -0.99 0.23 0.67 -4.19 119.30 121.14 1o7b s MET 52 Ca 0.91 -1.85 0.00 0.00 -1.03 0.00 0.00 55.69 53.72 1o7b s MET 52 Cb -0.64 0.28 0.00 0.00 -1.53 0.00 0.00 34.83 32.94 1o7b s MET 52 CO 0.48 -0.53 0.00 0.00 -2.03 0.00 0.00 175.02 172.95 1o7b n ALA 53 N -0.47 0.00 -0.41 3.16 0.00 -1.16 0.47 120.51 122.09 1o7b n ALA 53 Ca 0.05 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.86 1o7b n ALA 53 Cb 0.64 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.73 1o7b n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1o7b h LYS 54 N 0.00 0.01 0.00 0.00 1.57 -2.00 -3.37 116.57 112.79 1o7b h LYS 54 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o7b h LYS 54 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1o7b h LYS 54 CO 0.00 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1o7b n GLY 55 N -1.42 0.00 3.84 3.86 0.00 -0.89 -5.08 105.19 105.51 1o7b n GLY 55 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 1o7b n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1o7b s ARG 56 N 0.00 4.07 0.05 1.61 3.52 0.18 -4.73 118.95 123.64 1o7b s ARG 56 Ca 0.00 0.78 0.05 0.00 -0.13 0.00 0.00 55.73 56.43 1o7b s ARG 56 Cb 0.00 -2.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1o7b s ARG 56 CO 0.00 0.14 -0.15 0.14 -0.81 0.00 0.00 175.30 174.62 1o7b s VAL 57 N -1.99 1.16 -0.19 7.11 -7.23 -1.26 -0.23 120.40 117.76 1o7b s VAL 57 Ca 0.55 -1.08 -0.34 0.00 -1.81 0.00 0.00 61.98 59.30 1o7b s VAL 57 Cb -0.10 -1.06 0.14 0.00 0.56 0.00 0.00 36.38 35.92 1o7b s VAL 57 CO 0.17 -0.03 1.19 -0.83 -0.31 0.00 0.00 175.10 175.29 1o7b s GLY 58 N -1.27 -0.25 -0.28 2.32 0.00 -1.25 -4.00 107.32 102.59 1o7b s GLY 58 Ca 0.01 1.76 -0.03 0.00 0.00 0.00 0.00 44.72 46.46 1o7b s GLY 58 CO 0.02 0.64 0.18 -2.52 0.00 0.00 0.00 173.10 171.41 1o7b s TYR 59 N -2.16 0.05 -0.13 1.90 1.13 -0.73 -0.74 117.35 116.66 1o7b s TYR 59 Ca 0.08 -0.57 -0.29 0.00 -1.41 0.00 0.00 57.07 54.88 1o7b s TYR 59 Cb -0.01 -0.73 -0.06 0.00 -1.10 0.00 0.00 41.96 40.07 1o7b s TYR 59 CO -0.05 -0.82 1.96 -1.25 -2.51 0.00 0.00 175.55 172.88 1o7b s PRO 60 N 2.19 3.67 -0.63 -3.49 0.04 -1.25 -2.45 135.00 133.08 1o7b s PRO 60 Ca 0.08 2.12 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1o7b s PRO 60 Cb -0.15 -4.20 0.16 0.00 0.04 0.00 0.00 34.50 30.35 1o7b s PRO 60 CO -0.32 -1.47 0.50 0.42 0.04 0.00 0.00 177.00 176.16 1o7b s ILE 61 N 6.08 4.40 -0.00 0.56 -1.09 -0.78 -1.82 121.20 128.54 1o7b s ILE 61 Ca 0.88 -2.42 0.02 0.00 -2.23 0.00 0.00 60.65 56.89 1o7b s ILE 61 Cb -0.34 -3.83 -0.25 0.00 -1.58 0.00 0.00 42.46 36.46 1o7b s ILE 61 CO 0.36 -0.88 0.82 0.58 -1.23 0.00 0.00 174.94 174.58 1o7b h VAL 62 N 5.44 1.10 -3.45 2.92 2.07 -1.86 -2.94 116.25 119.53 1o7b h VAL 62 Ca -0.05 -2.81 -0.66 0.00 0.82 0.00 0.00 66.70 64.00 1o7b h VAL 62 Cb 1.02 2.66 -0.39 0.00 -1.52 0.00 0.00 31.29 33.05 1o7b h VAL 62 CO 0.77 0.76 -0.58 -0.75 0.02 0.00 0.00 177.57 177.80 1o7b s LYS 63 N -2.62 2.05 1.09 1.57 2.20 -1.26 -4.92 119.74 117.85 1o7b s LYS 63 Ca -0.08 -2.51 -0.12 0.00 -0.36 0.00 0.00 55.97 52.91 1o7b s LYS 63 Cb 0.08 -3.40 0.24 0.00 -1.51 0.00 0.00 37.83 33.23 1o7b s LYS 63 CO 0.83 -1.10 1.06 -1.25 -0.36 0.00 0.00 175.35 174.53 1o7b s PRO 64 N -0.08 -0.33 0.00 4.03 0.04 -1.26 -5.02 135.00 132.37 1o7b s PRO 64 Ca 0.16 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1o7b s PRO 64 Cb -0.24 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1o7b s PRO 64 CO -0.02 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 174.04 1o7b n GLY 65 N 0.62 2.47 3.32 0.56 0.00 -1.26 -5.06 105.19 105.83 1o7b n GLY 65 Ca 0.06 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1o7b n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1o7b n PRO 66 N -1.30 -1.84 -3.32 1.61 -0.02 -1.26 -2.62 135.00 126.26 1o7b n PRO 66 Ca 0.00 -0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 60.75 1o7b n PRO 66 Cb 0.00 -1.80 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1o7b n PRO 66 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1o7b n ASN 67 N -2.42 -3.18 0.00 2.55 5.15 -1.26 -4.50 115.26 111.59 1o7b n ASN 67 Ca 0.01 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1o7b n ASN 67 Cb 0.61 -2.67 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o7b n GLY 69 N -0.86 1.69 3.56 0.00 0.00 -1.08 -4.93 105.19 103.57 1o7b n GLY 69 Ca 0.00 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1o7b n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1o7b s PHE 70 N 0.00 2.18 -0.56 1.61 0.08 -1.26 -4.63 117.98 115.40 1o7b s PHE 70 Ca 0.00 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.02 1o7b s PHE 70 Cb 0.00 -4.43 0.25 0.00 -0.57 0.00 0.00 43.02 38.26 1o7b s PHE 70 CO 0.00 -1.95 0.66 0.41 -0.10 0.00 0.00 175.22 174.24 1o7b n GLY 71 N 6.47 4.12 7.00 4.36 0.00 -1.26 -5.10 105.19 120.78 1o7b n GLY 71 Ca 0.28 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1o7b n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7b n LYS 72 N 1.11 0.00 -4.02 1.61 3.00 -1.26 -4.63 118.16 113.96 1o7b n LYS 72 Ca 0.27 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.24 1o7b n LYS 72 Cb 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.33 1o7b n LYS 72 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1o7b s THR 73 N 0.00 2.59 0.00 3.15 -4.23 -1.25 -4.72 115.64 111.17 1o7b s THR 73 Ca 0.00 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1o7b s THR 73 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1o7b s THR 73 CO 0.00 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 1o7b n GLY 74 N 4.65 2.77 3.66 3.99 0.00 -1.11 -4.95 105.19 114.20 1o7b n GLY 74 Ca -0.18 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1o7b n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 75 N -1.76 0.76 -2.98 -0.61 5.41 -1.26 -1.87 119.36 117.04 1o7b n ILE 75 Ca 0.00 -0.14 -0.44 0.00 1.00 0.00 0.00 62.75 63.17 1o7b n ILE 75 Cb 0.00 -2.29 -0.01 0.00 -0.71 0.00 0.00 39.64 36.62 1o7b n ILE 75 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1o7b s ILE 76 N 4.49 4.96 -0.30 1.39 1.01 -1.03 -4.82 121.20 126.90 1o7b s ILE 76 Ca 0.89 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1o7b s ILE 76 Cb -0.45 -4.80 0.06 0.00 0.01 0.00 0.00 42.46 37.28 1o7b s ILE 76 CO 0.43 -1.50 -0.01 -0.62 0.00 0.00 0.00 174.94 173.24 1o7b s ASP 77 N 3.13 4.78 0.00 3.58 -1.08 -1.26 -1.78 116.67 124.04 1o7b s ASP 77 Ca 0.35 -1.46 0.20 0.00 -0.52 0.00 0.00 52.55 51.12 1o7b s ASP 77 Cb -0.05 -1.67 0.95 0.00 -1.46 0.00 0.00 42.92 40.70 1o7b s ASP 77 CO -0.06 -0.28 1.65 -1.22 0.52 0.00 0.00 175.17 175.78 1o7b n TYR 78 N 4.53 0.10 0.00 -5.34 4.02 -1.26 -5.02 117.16 114.19 1o7b n TYR 78 Ca -0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1o7b n TYR 78 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o7b n GLY 79 N 0.96 -1.84 3.49 2.72 0.00 -1.26 -4.92 105.19 104.34 1o7b n GLY 79 Ca 0.15 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1o7b n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 80 N -1.51 2.15 -0.93 -0.61 2.08 -1.26 -4.75 119.36 114.52 1o7b n ILE 80 Ca 0.00 -0.50 0.05 0.00 0.56 0.00 0.00 62.75 62.86 1o7b n ILE 80 Cb 0.00 -0.72 0.39 0.00 -0.75 0.00 0.00 39.64 38.56 1o7b n ILE 80 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1o7b n ARG 81 N 0.20 4.69 -1.17 0.38 5.12 -1.26 -4.89 116.66 119.73 1o7b n ARG 81 Ca 0.11 -3.15 -0.06 0.00 -1.93 0.00 0.00 57.85 52.82 1o7b n ARG 81 Cb 0.43 -2.25 -0.02 0.00 -1.16 0.00 0.00 32.46 29.45 1o7b n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1o7b n LEU 82 N 0.47 0.23 -3.55 0.55 -0.00 -1.26 -4.88 117.00 108.55 1o7b n LEU 82 Ca 0.30 0.14 -0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1o7b n LEU 82 Cb 1.22 -2.43 -0.06 0.00 -0.00 0.00 0.00 43.42 42.16 1o7b n LEU 82 CO 0.34 -0.94 0.71 0.21 -0.00 0.00 0.00 177.39 177.71 1o7b s ASN 83 N -2.24 -0.44 -0.04 1.96 2.47 -1.26 -5.02 114.94 110.37 1o7b s ASN 83 Ca 0.00 0.67 0.00 0.00 0.42 0.00 0.00 52.86 53.95 1o7b s ASN 83 Cb 0.00 1.31 0.05 0.00 -1.45 0.00 0.00 41.25 41.16 1o7b s ASN 83 CO 0.00 -0.10 1.19 0.54 -3.72 0.00 0.00 177.10 175.01 1o7b n ARG 84 N 4.04 1.11 -0.02 0.43 5.12 -1.26 -3.78 116.66 122.29 1o7b n ARG 84 Ca -0.15 -0.26 0.13 0.00 -1.93 0.00 0.00 57.85 55.64 1o7b n ARG 84 Cb 0.56 -1.10 0.29 0.00 -1.16 0.00 0.00 32.46 31.05 1o7b n ARG 84 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1o7b n SER 85 N 0.47 2.37 -4.75 0.55 2.88 -1.26 -3.60 113.62 110.29 1o7b n SER 85 Ca 0.05 -1.79 -0.30 0.00 -1.33 0.00 0.00 58.87 55.50 1o7b n SER 85 Cb 0.59 -0.02 0.11 0.00 -0.75 0.00 0.00 64.21 64.14 1o7b n SER 85 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1o7b s GLU 86 N -1.95 1.74 -0.25 -1.46 0.41 -1.25 -4.97 118.70 110.97 1o7b s GLU 86 Ca 0.33 0.94 -0.04 0.00 -0.41 0.00 0.00 54.97 55.79 1o7b s GLU 86 Cb 0.20 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.71 1o7b s GLU 86 CO 0.31 -1.94 -0.01 1.03 -0.49 0.00 0.00 175.26 174.16 1o7b s ARG 87 N -4.94 3.11 0.00 1.61 0.52 -1.25 -4.08 118.95 113.92 1o7b s ARG 87 Ca 0.62 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1o7b s ARG 87 Cb -0.17 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1o7b s ARG 87 CO 0.56 -0.33 0.00 0.91 0.02 0.00 0.00 175.30 176.46 1o7b n TRP 88 N 4.77 0.00 -1.35 -0.53 7.02 0.02 -4.37 117.44 123.00 1o7b n TRP 88 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1o7b n TRP 88 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1o7b n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1o7b n ASP 89 N 0.00 0.00 -3.62 -0.99 9.92 0.20 -2.56 116.55 119.50 1o7b n ASP 89 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1o7b n ASP 89 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7b s ALA 90 N -2.22 -2.06 -1.25 2.24 0.00 -0.85 -2.55 121.76 115.07 1o7b s ALA 90 Ca 0.00 2.34 -0.11 0.00 0.00 0.00 0.00 51.96 54.19 1o7b s ALA 90 Cb 0.00 -1.67 0.17 0.00 0.00 0.00 0.00 23.12 21.63 1o7b s ALA 90 CO 0.00 -0.68 1.69 0.66 0.00 0.00 0.00 175.76 177.43 1o7b n TYR 91 N 4.85 3.76 -1.04 0.00 4.01 -1.26 -0.31 117.16 127.16 1o7b n TYR 91 Ca -0.15 -3.02 -0.36 0.00 -0.16 0.00 0.00 57.90 54.21 1o7b n TYR 91 Cb 0.54 -2.03 0.05 0.00 -0.31 0.00 0.00 39.34 37.59 1o7b n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o7b s TYR 93 N -2.06 -1.31 -0.23 0.00 6.14 0.05 0.14 117.35 120.07 1o7b s TYR 93 Ca 0.49 2.29 -0.07 0.00 0.64 0.00 0.00 57.07 60.43 1o7b s TYR 93 Cb -0.26 0.78 0.11 0.00 0.42 0.00 0.00 41.96 43.01 1o7b s TYR 93 CO 0.74 -0.66 0.48 1.21 0.64 0.00 0.00 175.55 177.96 1o7b s ASN 94 N 2.84 -0.48 0.37 4.32 3.84 -0.71 -1.16 114.94 123.97 1o7b s ASN 94 Ca -0.06 1.03 0.25 0.00 0.21 0.00 0.00 52.86 54.29 1o7b s ASN 94 Cb -0.12 1.60 1.37 0.00 -0.55 0.00 0.00 41.25 43.55 1o7b s ASN 94 CO -0.19 -0.24 1.77 1.55 -2.79 0.00 0.00 177.10 177.21 1o7b h PRO 95 N 8.12 0.00 -0.28 0.43 0.13 -1.92 0.11 132.00 138.60 1o7b h PRO 95 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1o7b h PRO 95 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1o7b h PRO 95 CO 0.14 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.63 1o7b n HIS 96 N -2.38 0.46 -1.10 1.56 8.25 -1.26 -4.71 115.22 116.03 1o7b n HIS 96 Ca -0.02 -0.57 -0.16 0.00 -0.26 0.00 0.00 57.72 56.71 1o7b n HIS 96 Cb 0.04 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 30.99 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7b n ALA 97 N 0.17 5.98 0.60 -1.41 0.00 0.39 -5.12 120.51 121.13 1o7b n ALA 97 Ca 0.12 -2.02 0.05 0.00 0.00 0.00 0.00 53.44 51.58 1o7b n ALA 97 Cb 0.48 -1.99 0.29 0.00 0.00 0.00 0.00 19.45 18.22 1o7b n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13