#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1r n GLY 30 N 0.00 3.72 2.57 0.72 0.00 -1.26 -5.02 105.19 105.93 1d1r n GLY 30 Ca 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 1d1r n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d1r n ASP 31 N 0.00 2.05 0.00 1.61 8.00 -1.26 -5.05 116.55 121.89 1d1r n ASP 31 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1d1r n ASP 31 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1d1r n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d1r n GLY 32 N -0.09 3.85 3.64 0.44 0.00 -1.26 -4.94 105.19 106.82 1d1r n GLY 32 Ca 0.17 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1d1r n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1r s VAL 33 N -0.10 0.00 0.14 1.61 0.11 -1.26 -3.34 120.40 117.57 1d1r s VAL 33 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1d1r s VAL 33 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1d1r s VAL 33 CO 0.00 0.00 0.12 -0.69 -3.33 0.00 0.00 175.10 171.20 1d1r s VAL 34 N 1.48 4.51 -0.31 2.04 1.01 -1.22 -2.99 120.40 124.92 1d1r s VAL 34 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1d1r s VAL 34 Cb -0.05 -3.27 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1d1r s VAL 34 CO -0.17 -0.05 0.08 -0.60 0.00 0.00 0.00 175.10 174.36 1d1r s ARG 35 N -2.92 0.89 -0.22 2.72 3.52 -1.25 -2.40 118.95 119.29 1d1r s ARG 35 Ca 0.31 -1.18 -0.09 0.00 -0.13 0.00 0.00 55.73 54.64 1d1r s ARG 35 Cb -0.11 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1d1r s ARG 35 CO 0.23 -0.95 0.10 0.42 -0.81 0.00 0.00 175.30 174.30 1d1r s ILE 36 N 1.49 4.90 0.00 4.11 1.09 -1.25 -1.96 121.20 129.58 1d1r s ILE 36 Ca 0.09 0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.66 1d1r s ILE 36 Cb -0.18 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1d1r s ILE 36 CO -0.21 0.39 0.00 0.00 -0.10 0.00 0.00 174.94 175.02 1d1r n GLN 37 N 4.15 2.29 -3.70 2.79 6.02 -1.09 -4.52 117.38 123.33 1d1r n GLN 37 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.72 1d1r n GLN 37 Cb 0.52 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.68 1d1r n GLN 37 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1d1r s ARG 38 N -1.04 0.46 -0.27 -1.09 1.70 -1.26 -3.62 118.95 113.82 1d1r s ARG 38 Ca 0.00 0.78 0.01 0.00 -0.47 0.00 0.00 55.73 56.06 1d1r s ARG 38 Cb 0.00 0.07 0.05 0.00 -0.57 0.00 0.00 34.95 34.50 1d1r s ARG 38 CO 0.00 -0.13 -0.08 -1.14 -1.08 0.00 0.00 175.30 172.87 1d1r s GLN 39 N 1.11 2.34 0.36 3.89 -0.44 -0.76 -5.00 119.66 121.15 1d1r s GLN 39 Ca -0.07 -1.30 0.08 0.00 -2.50 0.00 0.00 55.36 51.57 1d1r s GLN 39 Cb -0.07 -2.98 -0.03 0.00 -1.64 0.00 0.00 33.01 28.29 1d1r s GLN 39 CO -0.10 -0.57 0.24 -0.08 0.50 0.00 0.00 175.29 175.28 1d1r s THR 40 N 1.16 3.05 0.00 -0.34 -1.32 -1.26 -3.48 115.64 113.45 1d1r s THR 40 Ca -0.07 -1.52 0.02 0.00 -1.21 0.00 0.00 61.69 58.90 1d1r s THR 40 Cb -0.20 -3.05 0.03 0.00 -1.51 0.00 0.00 72.50 67.77 1d1r s THR 40 CO -0.04 -0.13 0.81 -0.24 -2.21 0.00 0.00 174.62 172.82 1d1r n SER 41 N -1.31 0.01 0.00 8.08 2.88 -1.26 -5.09 113.62 116.93 1d1r n SER 41 Ca -0.01 -1.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 1d1r n SER 41 Cb 0.61 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1d1r n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d1r n GLY 42 N 0.03 -0.86 2.63 0.46 0.00 -1.26 -5.17 105.19 101.02 1d1r n GLY 42 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1d1r n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d1r n ARG 43 N 0.00 0.60 -2.00 1.61 1.85 -1.26 -4.90 116.66 112.56 1d1r n ARG 43 Ca 0.00 -2.05 -0.19 0.00 -1.00 0.00 0.00 57.85 54.61 1d1r n ARG 43 Cb 0.00 2.07 -0.04 0.00 -1.05 0.00 0.00 32.46 33.44 1d1r n ARG 43 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1d1r n LYS 44 N -0.43 -1.41 0.00 2.89 4.81 -1.26 -4.67 118.16 118.09 1d1r n LYS 44 Ca -0.01 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1d1r n LYS 44 Cb 0.45 -5.44 0.00 0.00 0.02 0.00 0.00 35.03 30.06 1d1r n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d1r n GLY 45 N -0.87 0.72 2.28 3.14 0.00 -1.26 -5.13 105.19 104.07 1d1r n GLY 45 Ca -0.21 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1d1r n GLY 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d1r n LYS 46 N 0.00 -4.92 -3.65 1.61 4.81 -1.26 -4.82 118.16 109.93 1d1r n LYS 46 Ca 0.00 3.54 0.02 0.00 -0.87 0.00 0.00 58.31 60.99 1d1r n LYS 46 Cb 0.00 -4.34 -0.06 0.00 0.02 0.00 0.00 35.03 30.65 1d1r n LYS 46 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1d1r s GLY 47 N -0.54 0.58 0.05 3.14 0.00 -1.26 -4.67 107.32 104.62 1d1r s GLY 47 Ca 0.00 3.79 0.04 0.00 0.00 0.00 0.00 44.72 48.55 1d1r s GLY 47 CO 0.00 2.66 -0.13 -1.34 0.00 0.00 0.00 173.10 174.30 1d1r s VAL 48 N 0.92 0.98 -0.16 1.40 -7.23 -1.23 -3.93 120.40 111.16 1d1r s VAL 48 Ca -0.06 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 1d1r s VAL 48 Cb -0.03 -0.93 0.03 0.00 0.56 0.00 0.00 36.38 36.02 1d1r s VAL 48 CO -0.11 -0.11 -0.12 0.00 -0.31 0.00 0.00 175.10 174.45 1d1r s LEU 50 N 1.49 2.85 -0.22 0.00 2.34 -1.24 -1.75 118.68 122.15 1d1r s LEU 50 Ca 0.03 -0.16 -0.05 0.00 0.06 0.00 0.00 54.13 54.01 1d1r s LEU 50 Cb -0.14 -1.60 -0.02 0.00 -0.56 0.00 0.00 46.19 43.87 1d1r s LEU 50 CO -0.10 0.33 0.01 -0.63 -1.06 0.00 0.00 176.35 174.91 1d1r s ILE 51 N -0.64 3.97 0.05 1.48 1.09 -0.87 -2.66 121.20 123.63 1d1r s ILE 51 Ca 0.09 -0.30 -0.09 0.00 -1.10 0.00 0.00 60.65 59.26 1d1r s ILE 51 Cb -0.11 -2.81 -0.00 0.00 -1.06 0.00 0.00 42.46 38.47 1d1r s ILE 51 CO 0.01 0.40 0.18 0.28 -0.10 0.00 0.00 174.94 175.71 1d1r s THR 52 N 1.25 0.13 0.00 2.92 -1.32 -0.83 -1.90 115.64 115.89 1d1r s THR 52 Ca 0.04 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1d1r s THR 52 Cb -0.15 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1d1r s THR 52 CO 0.01 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 1d1r n GLY 53 N 0.45 1.03 3.63 6.08 0.00 -1.26 -3.80 105.19 111.32 1d1r n GLY 53 Ca -0.18 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1d1r n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1r s VAL 54 N -2.00 4.48 -1.18 1.61 1.01 -1.26 -4.56 120.40 118.50 1d1r s VAL 54 Ca 0.00 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1d1r s VAL 54 Cb 0.00 -4.43 0.22 0.00 0.00 0.00 0.00 36.38 32.17 1d1r s VAL 54 CO 0.00 -0.55 1.43 -0.67 0.00 0.00 0.00 175.10 175.30 1d1r n ASP 55 N 6.98 5.46 -3.38 3.32 2.03 -1.16 -4.95 116.55 124.85 1d1r n ASP 55 Ca 0.11 -3.08 -0.16 0.00 0.52 0.00 0.00 54.79 52.18 1d1r n ASP 55 Cb 0.47 -1.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.36 1d1r n ASP 55 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1d1r s LEU 56 N -0.20 1.24 0.88 -2.67 1.43 -1.26 -4.01 118.68 114.10 1d1r s LEU 56 Ca 0.37 -1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 1d1r s LEU 56 Cb -0.02 1.09 0.08 0.00 0.03 0.00 0.00 46.19 47.38 1d1r s LEU 56 CO -0.01 -1.18 0.89 -0.67 0.23 0.00 0.00 176.35 175.61 1d1r n ASP 57 N -1.33 -0.32 -0.03 2.29 2.03 -1.26 -4.86 116.55 113.06 1d1r n ASP 57 Ca 0.03 0.45 -0.13 0.00 0.52 0.00 0.00 54.79 55.66 1d1r n ASP 57 Cb 0.62 -1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 39.55 1d1r n ASP 57 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1d1r h ASP 58 N -1.40 0.17 -0.44 1.67 5.19 -2.00 -2.97 116.42 116.63 1d1r h ASP 58 Ca -0.44 -0.48 0.03 0.00 -0.62 0.00 0.00 57.03 55.52 1d1r h ASP 58 Cb 1.29 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 1d1r h ASP 58 CO 0.40 0.61 0.29 0.00 -3.12 0.00 0.00 179.24 177.43 1d1r h ALA 59 N 0.56 1.82 0.38 3.45 0.00 -2.01 -2.47 119.26 120.97 1d1r h ALA 59 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1d1r h ALA 59 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1d1r h ALA 59 CO 0.02 0.13 -0.20 1.49 0.00 0.00 0.00 179.25 180.68 1d1r h GLU 60 N 0.48 -0.52 -0.94 0.00 4.81 -1.88 -2.10 114.58 114.42 1d1r h GLU 60 Ca 0.18 0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.72 1d1r h GLU 60 Cb 0.12 0.12 -0.15 0.00 0.63 0.00 0.00 28.75 29.47 1d1r h GLU 60 CO -0.04 -0.35 0.36 -0.07 -0.73 0.00 0.00 179.01 178.18 1d1r h LEU 61 N -0.54 0.17 -0.01 1.64 4.07 -1.29 0.40 115.31 119.74 1d1r h LEU 61 Ca -0.05 0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.13 1d1r h LEU 61 Cb 0.43 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1d1r h LEU 61 CO 0.06 -0.18 -0.05 0.74 -1.08 0.00 0.00 178.44 177.94 1d1r h THR 62 N 0.23 0.87 -0.76 0.22 2.02 -1.34 -0.36 112.91 113.79 1d1r h THR 62 Ca 0.64 0.00 0.22 0.00 0.77 0.00 0.00 66.41 68.03 1d1r h THR 62 Cb 1.39 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1d1r h THR 62 CO -0.66 0.00 0.54 0.11 0.37 0.00 0.00 175.52 175.88 1d1r h LYS 63 N -0.08 0.03 0.20 6.66 1.57 0.14 -0.99 116.57 124.10 1d1r h LYS 63 Ca 0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1d1r h LYS 63 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1d1r h LYS 63 CO -0.06 0.02 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.67 1d1r h LEU 64 N 0.03 -0.23 -1.63 2.94 4.07 -0.30 -1.52 115.31 118.68 1d1r h LEU 64 Ca 0.36 -0.28 0.19 0.00 0.08 0.00 0.00 57.88 58.24 1d1r h LEU 64 Cb 1.41 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 43.15 1d1r h LEU 64 CO -0.02 0.20 0.56 0.00 -1.08 0.00 0.00 178.44 178.11 1d1r h ALA 65 N -0.06 2.29 -0.20 1.53 0.00 -0.62 0.97 119.26 123.17 1d1r h ALA 65 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1d1r h ALA 65 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1d1r h ALA 65 CO 0.04 -0.54 -0.51 0.00 0.00 0.00 0.00 179.25 178.25 1d1r h ALA 66 N 1.62 0.33 0.00 0.00 0.00 -1.22 -2.15 119.26 117.84 1d1r h ALA 66 Ca 0.42 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1d1r h ALA 66 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1d1r h ALA 66 CO -0.13 0.52 0.00 1.49 0.00 0.00 0.00 179.25 181.13 1d1r h GLU 67 N 0.41 0.00 0.00 0.00 4.81 0.21 -0.94 114.58 119.06 1d1r h GLU 67 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1d1r h GLU 67 Cb 1.12 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1d1r h GLU 67 CO 0.11 0.00 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.03 1d1r h LEU 68 N 0.00 0.00 -2.71 1.64 -0.00 -0.96 -3.33 115.31 109.96 1d1r h LEU 68 Ca 0.00 -0.22 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1d1r h LEU 68 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1d1r h LEU 68 CO 0.00 0.76 -0.00 0.11 -0.00 0.00 0.00 178.44 179.31 1d1r h LYS 69 N -1.00 0.00 -0.87 1.13 1.57 -1.33 -2.24 116.57 113.83 1d1r h LYS 69 Ca -0.04 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 1d1r h LYS 69 Cb 0.45 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.65 1d1r h LYS 69 CO -0.02 0.00 0.41 -0.22 -0.57 0.00 0.00 179.45 179.05 1d1r h LYS 70 N 0.00 0.48 -2.11 3.15 3.64 -1.27 -3.06 116.57 117.39 1d1r h LYS 70 Ca -0.00 -0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.77 1d1r h LYS 70 Cb 0.01 -0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 31.31 1d1r h LYS 70 CO 0.00 0.32 -0.83 0.36 -2.27 0.00 0.00 179.45 177.03 1d1r n LYS 71 N -4.97 1.69 0.00 1.90 2.85 -0.84 -4.81 118.16 113.98 1d1r n LYS 71 Ca 0.20 -4.01 0.00 0.00 -1.05 0.00 0.00 58.31 53.45 1d1r n LYS 71 Cb 0.56 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 1d1r n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d1r n GLY 73 N 0.85 2.77 0.00 0.00 0.00 -1.26 -4.94 105.19 102.61 1d1r n GLY 73 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1d1r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1r n GLY 75 N 0.00 -0.14 3.15 0.00 0.00 -1.26 -5.05 105.19 101.88 1d1r n GLY 75 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1d1r n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1r s GLY 76 N 0.00 1.52 -0.38 -0.02 0.00 -1.26 -3.64 107.32 103.54 1d1r s GLY 76 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 1d1r s GLY 76 CO 0.00 0.42 0.21 0.00 0.00 0.00 0.00 173.10 173.73 1d1r s ALA 77 N 1.28 3.30 -1.13 3.20 0.00 -0.82 -4.97 121.76 122.61 1d1r s ALA 77 Ca 0.01 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.08 1d1r s ALA 77 Cb -0.15 -2.62 0.11 0.00 0.00 0.00 0.00 23.12 20.46 1d1r s ALA 77 CO -0.08 -1.38 1.45 0.08 0.00 0.00 0.00 175.76 175.82 1d1r s VAL 78 N 1.57 4.50 0.58 0.00 1.01 -1.26 -1.66 120.40 125.14 1d1r s VAL 78 Ca 0.02 -1.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 1d1r s VAL 78 Cb -0.19 -4.99 0.04 0.00 0.00 0.00 0.00 36.38 31.24 1d1r s VAL 78 CO 0.07 -1.77 0.83 -0.54 0.00 0.00 0.00 175.10 173.69 1d1r s LYS 79 N 3.20 2.52 -0.16 2.72 -0.14 -0.73 -4.97 119.74 122.19 1d1r s LYS 79 Ca 0.44 -0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 54.19 1d1r s LYS 79 Cb -0.01 -2.40 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 1d1r s LYS 79 CO -0.02 -0.81 2.13 0.34 -0.76 0.00 0.00 175.35 176.23 1d1r s ASP 80 N -4.42 5.74 -1.14 2.83 -1.08 -1.26 -1.78 116.67 115.56 1d1r s ASP 80 Ca 0.57 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 54.67 1d1r s ASP 80 Cb -0.10 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1d1r s ASP 80 CO 0.40 -1.71 0.00 0.61 0.52 0.00 0.00 175.17 175.00 1d1r n GLY 81 N 5.41 -0.12 2.50 2.66 0.00 -1.26 -4.88 105.19 109.50 1d1r n GLY 81 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 1d1r n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1r s VAL 82 N -2.50 0.07 -0.65 1.61 1.01 -0.73 -4.24 120.40 114.96 1d1r s VAL 82 Ca 0.00 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 59.99 1d1r s VAL 82 Cb 0.00 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.38 1d1r s VAL 82 CO 0.00 -0.95 1.11 -0.63 0.00 0.00 0.00 175.10 174.63 1d1r s ILE 83 N 0.96 4.07 -0.10 2.22 -1.09 -0.80 -1.77 121.20 124.70 1d1r s ILE 83 Ca 0.21 0.25 -0.27 0.00 -2.23 0.00 0.00 60.65 58.60 1d1r s ILE 83 Cb -0.17 -4.75 -0.02 0.00 -1.58 0.00 0.00 42.46 35.94 1d1r s ILE 83 CO -0.03 -1.52 0.88 -0.70 -1.23 0.00 0.00 174.94 172.34 1d1r s GLU 84 N 4.79 4.41 -0.19 2.79 -6.30 -0.67 -2.04 118.70 121.49 1d1r s GLU 84 Ca 0.32 1.16 -0.02 0.00 -2.50 0.00 0.00 54.97 53.92 1d1r s GLU 84 Cb -0.11 -3.52 0.06 0.00 0.00 0.00 0.00 34.13 30.56 1d1r s GLU 84 CO 0.16 -0.19 0.03 0.42 0.02 0.00 0.00 175.26 175.70 1d1r s ILE 85 N 1.61 0.59 0.05 -3.70 -1.09 -0.72 -1.94 121.20 116.00 1d1r s ILE 85 Ca 0.43 -0.57 -0.31 0.00 -2.23 0.00 0.00 60.65 57.98 1d1r s ILE 85 Cb -0.18 -1.06 -0.06 0.00 -1.58 0.00 0.00 42.46 39.58 1d1r s ILE 85 CO 0.18 -0.17 1.26 -1.10 -1.23 0.00 0.00 174.94 173.88 1d1r s GLN 86 N 1.83 4.38 0.00 2.79 -0.21 -1.24 -2.90 119.66 124.31 1d1r s GLN 86 Ca -0.01 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.22 1d1r s GLN 86 Cb -0.17 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1d1r s GLN 86 CO -0.08 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1d1r n GLY 87 N 3.34 4.49 3.38 3.09 0.00 -1.25 -4.98 105.19 113.26 1d1r n GLY 87 Ca 0.10 -0.67 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 1d1r n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d1r s ASP 88 N 0.00 6.74 -0.36 1.61 1.11 -1.26 -4.42 116.67 120.09 1d1r s ASP 88 Ca 0.00 -2.48 0.14 0.00 0.18 0.00 0.00 52.55 50.39 1d1r s ASP 88 Cb 0.00 -2.28 0.41 0.00 1.07 0.00 0.00 42.92 42.12 1d1r s ASP 88 CO 0.00 -0.75 0.97 0.29 1.18 0.00 0.00 175.17 176.86 1d1r n LYS 89 N 4.92 1.10 -0.25 8.23 5.02 -1.26 -4.93 118.16 130.99 1d1r n LYS 89 Ca 0.18 -2.97 -0.07 0.00 -2.02 0.00 0.00 58.31 53.44 1d1r n LYS 89 Cb 0.47 -1.16 0.05 0.00 -0.02 0.00 0.00 35.03 34.37 1d1r n LYS 89 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1d1r h ARG 90 N 2.85 1.09 -0.72 1.97 2.43 -1.96 -1.08 114.38 118.96 1d1r h ARG 90 Ca -0.08 -0.23 0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1d1r h ARG 90 Cb 1.14 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.46 1d1r h ARG 90 CO 0.39 0.94 0.34 0.22 -1.51 0.00 0.00 179.97 180.34 1d1r h ASP 91 N 1.03 0.42 1.01 -3.80 3.58 -2.01 0.60 116.42 117.24 1d1r h ASP 91 Ca 0.23 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.64 1d1r h ASP 91 Cb 0.30 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1d1r h ASP 91 CO -0.01 0.22 -0.50 0.25 -2.88 0.00 0.00 179.24 176.32 1d1r h LEU 92 N 0.56 0.00 -0.65 2.28 6.46 -1.88 -3.17 115.31 118.91 1d1r h LEU 92 Ca 0.37 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1d1r h LEU 92 Cb 0.44 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1d1r h LEU 92 CO -0.30 0.50 0.35 -0.07 -0.62 0.00 0.00 178.44 178.30 1d1r h LEU 93 N 0.00 0.81 -1.51 2.25 3.38 0.42 -1.49 115.31 119.17 1d1r h LEU 93 Ca -0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1d1r h LEU 93 Cb 1.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1d1r h LEU 93 CO 0.07 0.67 -0.24 0.50 0.09 0.00 0.00 178.44 179.53 1d1r h LYS 94 N 0.88 0.00 0.36 1.13 3.64 -1.37 -1.94 116.57 119.27 1d1r h LYS 94 Ca 0.23 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1d1r h LYS 94 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1d1r h LYS 94 CO -0.04 0.24 -0.17 1.03 -2.27 0.00 0.00 179.45 178.24 1d1r h SER 95 N 0.00 -0.41 -0.58 4.20 0.87 -1.30 -1.78 113.55 114.55 1d1r h SER 95 Ca -0.00 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1d1r h SER 95 Cb 0.53 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1d1r h SER 95 CO 0.03 -0.09 0.40 0.17 -0.53 0.00 0.00 176.83 176.82 1d1r h LEU 96 N -0.90 0.14 -0.14 2.23 8.10 -1.40 -0.85 115.31 122.49 1d1r h LEU 96 Ca -0.05 0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 1d1r h LEU 96 Cb 0.37 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1d1r h LEU 96 CO 0.08 0.07 -0.04 0.25 -4.11 0.00 0.00 178.44 174.70 1d1r h LEU 97 N 0.15 0.27 -0.84 0.17 7.12 -1.33 -2.59 115.31 118.25 1d1r h LEU 97 Ca 0.28 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.91 1d1r h LEU 97 Cb 0.89 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1d1r h LEU 97 CO -0.04 0.59 0.00 -0.08 -0.13 0.00 0.00 178.44 178.78 1d1r h GLU 98 N -0.05 0.00 0.00 1.25 4.57 -0.29 -2.31 114.58 117.75 1d1r h GLU 98 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1d1r h GLU 98 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1d1r h GLU 98 CO 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.84 1d1r n ALA 99 N -1.82 1.65 0.06 2.92 0.00 -0.45 -2.55 120.51 120.32 1d1r n ALA 99 Ca 0.02 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 1d1r n ALA 99 Cb 0.23 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 1d1r n ALA 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1d1r h LYS 100 N 0.00 0.31 0.00 0.00 1.57 -1.49 -3.48 116.57 113.47 1d1r h LYS 100 Ca 0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1d1r h LYS 100 Cb 0.31 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1d1r h LYS 100 CO 0.00 1.18 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 1d1r n GLY 101 N 1.76 1.35 1.10 3.86 0.00 -1.06 -5.10 105.19 107.09 1d1r n GLY 101 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1d1r n GLY 101 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1d1r n MET 102 N -1.58 1.61 -2.50 1.61 0.00 -1.26 -5.10 117.12 109.90 1d1r n MET 102 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 57.70 56.31 1d1r n MET 102 Cb 0.00 0.29 0.01 0.00 0.00 0.00 0.00 33.22 33.52 1d1r n MET 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1d1r s LYS 103 N -2.56 3.29 0.03 3.17 2.20 -1.21 -4.86 119.74 119.80 1d1r s LYS 103 Ca 0.00 0.14 -0.18 0.00 -0.36 0.00 0.00 55.97 55.58 1d1r s LYS 103 Cb -0.00 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 1d1r s LYS 103 CO 0.00 -0.43 0.39 0.54 -0.36 0.00 0.00 175.35 175.49 1d1r s VAL 104 N -2.87 0.06 -0.42 4.02 0.11 -1.26 -3.43 120.40 116.61 1d1r s VAL 104 Ca 0.50 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 1d1r s VAL 104 Cb -0.10 -0.88 0.14 0.00 -1.53 0.00 0.00 36.38 34.00 1d1r s VAL 104 CO 0.45 -0.26 0.23 -0.54 -3.33 0.00 0.00 175.10 171.65 1d1r s LYS 105 N -2.17 1.14 0.53 1.54 1.02 -1.01 -4.96 119.74 115.83 1d1r s LYS 105 Ca -0.07 -1.86 0.25 0.00 0.02 0.00 0.00 55.97 54.31 1d1r s LYS 105 Cb -0.02 -2.14 1.38 0.00 -0.52 0.00 0.00 37.83 36.54 1d1r s LYS 105 CO -0.00 -1.17 2.00 -0.07 -0.92 0.00 0.00 175.35 175.19 1d1r h LEU 106 N 6.81 0.01 -2.81 3.17 -0.00 -1.87 -3.33 115.31 117.30 1d1r h LEU 106 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1d1r h LEU 106 Cb 0.94 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1d1r h LEU 106 CO 0.44 0.01 -0.19 0.00 -0.00 0.00 0.00 178.44 178.69 1d1r n ALA 107 N -2.64 -3.08 -3.33 1.53 0.00 -1.26 -4.33 120.51 107.40 1d1r n ALA 107 Ca 0.09 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 1d1r n ALA 107 Cb 0.59 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1d1r n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d1r n GLY 108 N -0.07 4.89 0.00 0.00 0.00 -1.26 -4.92 105.19 103.83 1d1r n GLY 108 Ca 0.01 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.28 1d1r n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1r n GLY 109 N 1.00 -0.37 3.40 -0.02 0.00 -1.26 -5.12 105.19 102.82 1d1r n GLY 109 Ca 0.29 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1d1r n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d1r s LEU 110 N 0.00 -0.11 0.00 0.99 0.20 -1.26 -5.27 118.68 113.23 1d1r s LEU 110 Ca 0.00 0.26 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1d1r s LEU 110 Cb 0.00 2.14 0.00 0.00 -0.43 0.00 0.00 46.19 47.90 1d1r s LEU 110 CO 0.00 -0.68 0.48 1.21 -0.29 0.00 0.00 176.35 177.06