#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1r s GLY 30 N 0.00 -0.23 0.00 0.72 0.00 -1.26 -5.16 107.32 101.40 1d1r s GLY 30 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 1d1r s GLY 30 CO 0.00 0.69 0.19 2.09 0.00 0.00 0.00 173.10 176.06 1d1r n ASP 31 N 2.62 -0.20 0.00 1.64 5.75 -1.26 -5.18 116.55 119.93 1d1r n ASP 31 Ca -0.14 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 1d1r n ASP 31 Cb 0.57 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 1d1r n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1d1r n GLY 32 N -0.13 1.11 3.10 6.12 0.00 -1.26 -4.73 105.19 109.40 1d1r n GLY 32 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1d1r n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d1r s VAL 33 N -0.02 -0.64 0.09 1.61 -7.23 -1.26 -3.18 120.40 109.77 1d1r s VAL 33 Ca 0.00 0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.07 1d1r s VAL 33 Cb 0.00 -0.75 -0.07 0.00 0.56 0.00 0.00 36.38 36.13 1d1r s VAL 33 CO 0.00 -0.02 0.52 -0.69 -0.31 0.00 0.00 175.10 174.60 1d1r s VAL 34 N 2.59 4.87 -0.28 1.32 1.01 -1.21 -4.25 120.40 124.45 1d1r s VAL 34 Ca 0.06 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1d1r s VAL 34 Cb -0.14 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.52 1d1r s VAL 34 CO -0.14 0.42 -0.05 -0.60 0.00 0.00 0.00 175.10 174.72 1d1r s ARG 35 N -1.50 2.30 -0.61 2.72 3.52 -1.13 -1.99 118.95 122.25 1d1r s ARG 35 Ca 0.32 -1.34 -0.07 0.00 -0.13 0.00 0.00 55.73 54.51 1d1r s ARG 35 Cb -0.17 -3.04 0.16 0.00 -1.56 0.00 0.00 34.95 30.35 1d1r s ARG 35 CO 0.18 -0.61 0.47 0.42 -0.81 0.00 0.00 175.30 174.95 1d1r s ILE 36 N 1.16 4.24 0.92 4.11 1.09 -1.25 -2.96 121.20 128.50 1d1r s ILE 36 Ca -0.07 -2.47 -0.12 0.00 -1.10 0.00 0.00 60.65 56.90 1d1r s ILE 36 Cb -0.20 -3.74 0.20 0.00 -1.06 0.00 0.00 42.46 37.67 1d1r s ILE 36 CO -0.03 -0.87 1.26 -1.58 -0.10 0.00 0.00 174.94 173.61 1d1r s GLN 37 N 0.46 0.68 -0.26 2.79 0.74 -1.20 -4.72 119.66 118.14 1d1r s GLN 37 Ca 0.13 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.76 1d1r s GLN 37 Cb -0.20 -1.97 0.11 0.00 1.10 0.00 0.00 33.01 32.05 1d1r s GLN 37 CO -0.04 -2.30 0.21 -0.98 -0.55 0.00 0.00 175.29 171.63 1d1r s ARG 38 N -5.73 0.23 -0.10 1.67 1.70 -1.26 -3.51 118.95 111.94 1d1r s ARG 38 Ca 0.74 -0.21 -0.22 0.00 -0.47 0.00 0.00 55.73 55.58 1d1r s ARG 38 Cb -0.03 -1.03 -0.04 0.00 -0.57 0.00 0.00 34.95 33.29 1d1r s ARG 38 CO 0.51 -0.93 0.63 -1.14 -1.08 0.00 0.00 175.30 173.29 1d1r s GLN 39 N 2.25 4.37 0.05 3.89 0.74 -1.16 -4.95 119.66 124.85 1d1r s GLN 39 Ca 0.08 0.72 0.05 0.00 0.05 0.00 0.00 55.36 56.26 1d1r s GLN 39 Cb -0.15 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 1d1r s GLN 39 CO -0.29 0.03 -0.14 0.95 -0.55 0.00 0.00 175.29 175.30 1d1r s THR 40 N 0.95 1.10 0.01 -0.34 -4.23 -1.26 -3.16 115.64 108.71 1d1r s THR 40 Ca 0.33 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1d1r s THR 40 Cb -0.17 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 1d1r s THR 40 CO 0.14 -0.11 -0.12 -0.55 -0.54 0.00 0.00 174.62 173.45 1d1r s SER 41 N -1.42 4.26 0.47 3.99 0.15 -1.26 -5.03 113.70 114.86 1d1r s SER 41 Ca -0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1d1r s SER 41 Cb -0.09 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1d1r s SER 41 CO 0.02 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1d1r n GLY 42 N 1.62 0.74 3.59 9.45 0.00 -1.26 -4.30 105.19 115.02 1d1r n GLY 42 Ca -0.16 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1d1r n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d1r s ARG 43 N 0.00 3.88 0.72 1.61 0.52 -1.26 -4.97 118.95 119.45 1d1r s ARG 43 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1d1r s ARG 43 Cb 0.00 -3.70 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1d1r s ARG 43 CO 0.00 -0.38 0.00 1.17 0.02 0.00 0.00 175.30 176.11 1d1r n LYS 44 N 5.41 0.00 0.00 3.54 4.81 -1.26 -4.85 118.16 125.81 1d1r n LYS 44 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1d1r n LYS 44 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 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 0.00 2.43 3.80 3.14 0.00 -1.26 -4.82 105.19 108.48 1d1r n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d1r n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d1r s LYS 46 N -0.01 0.70 -0.17 1.61 -2.85 -1.26 -5.14 119.74 112.62 1d1r s LYS 46 Ca 0.00 -0.42 -0.28 0.00 -1.00 0.00 0.00 55.97 54.27 1d1r s LYS 46 Cb 0.00 0.21 0.08 0.00 -2.06 0.00 0.00 37.83 36.06 1d1r s LYS 46 CO 0.00 -0.32 0.76 0.20 0.10 0.00 0.00 175.35 176.08 1d1r s GLY 47 N -3.30 -0.50 0.05 0.59 0.00 -1.26 -4.72 107.32 98.19 1d1r s GLY 47 Ca 0.20 1.79 0.01 0.00 0.00 0.00 0.00 44.72 46.72 1d1r s GLY 47 CO -0.00 1.36 -0.06 -1.34 0.00 0.00 0.00 173.10 173.06 1d1r s VAL 48 N -0.43 0.46 -0.05 1.40 -7.23 -1.18 -2.16 120.40 111.22 1d1r s VAL 48 Ca -0.05 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1d1r s VAL 48 Cb -0.02 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.08 1d1r s VAL 48 CO 0.04 -0.56 -0.10 0.00 -0.31 0.00 0.00 175.10 174.17 1d1r s LEU 50 N 0.68 3.62 -0.26 0.00 1.02 -1.23 -1.83 118.68 120.68 1d1r s LEU 50 Ca -0.13 -1.41 -0.11 0.00 0.02 0.00 0.00 54.13 52.51 1d1r s LEU 50 Cb -0.15 -1.59 -0.05 0.00 0.02 0.00 0.00 46.19 44.42 1d1r s LEU 50 CO 0.02 -0.22 0.19 -0.63 0.02 0.00 0.00 176.35 175.74 1d1r s ILE 51 N 1.13 5.32 0.24 -0.59 1.09 -0.45 -3.27 121.20 124.67 1d1r s ILE 51 Ca -0.07 0.21 -0.20 0.00 -1.10 0.00 0.00 60.65 59.49 1d1r s ILE 51 Cb -0.20 -3.53 0.03 0.00 -1.06 0.00 0.00 42.46 37.69 1d1r s ILE 51 CO -0.04 0.28 0.65 0.28 -0.10 0.00 0.00 174.94 176.01 1d1r s THR 52 N 1.47 0.00 0.00 2.92 -1.32 -1.16 -1.41 115.64 116.15 1d1r s THR 52 Ca 0.08 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1d1r s THR 52 Cb -0.15 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1d1r s THR 52 CO 0.08 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1d1r n GLY 53 N -0.42 0.55 3.48 6.08 0.00 -1.26 -2.85 105.19 110.76 1d1r n GLY 53 Ca -0.07 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.69 4.72 -1.24 1.61 1.01 -1.26 -4.16 120.40 118.40 1d1r s VAL 54 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1d1r s VAL 54 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 33.15 1d1r s VAL 54 CO 0.00 0.16 1.60 -0.62 0.00 0.00 0.00 175.10 176.23 1d1r s ASP 55 N 1.65 6.89 0.30 3.32 2.15 -1.26 -4.90 116.67 124.81 1d1r s ASP 55 Ca 0.06 -2.55 -0.09 0.00 0.43 0.00 0.00 52.55 50.40 1d1r s ASP 55 Cb -0.16 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1d1r s ASP 55 CO 0.07 -1.05 0.51 -0.76 -0.17 0.00 0.00 175.17 173.77 1d1r s LEU 56 N 3.35 0.53 1.09 -1.34 1.43 -1.26 -4.44 118.68 118.04 1d1r s LEU 56 Ca 0.49 -1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 1d1r s LEU 56 Cb 0.01 1.78 0.19 0.00 0.03 0.00 0.00 46.19 48.20 1d1r s LEU 56 CO 0.03 -1.26 0.69 0.47 0.23 0.00 0.00 176.35 176.51 1d1r n ASP 57 N -0.86 -1.61 0.04 2.29 9.92 -1.26 -4.82 116.55 120.24 1d1r n ASP 57 Ca -0.02 0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.14 1d1r n ASP 57 Cb 0.62 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1d1r n ASP 57 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1d1r h ASP 58 N -2.25 0.56 0.85 -2.24 5.19 -2.01 -2.92 116.42 113.60 1d1r h ASP 58 Ca -0.54 -0.38 -0.16 0.00 -0.62 0.00 0.00 57.03 55.33 1d1r h ASP 58 Cb 1.32 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1d1r h ASP 58 CO 0.43 1.13 -0.76 0.00 -3.12 0.00 0.00 179.24 176.93 1d1r h ALA 59 N 0.85 0.70 -0.25 3.45 0.00 -2.01 -3.12 119.26 118.88 1d1r h ALA 59 Ca -0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 1d1r h ALA 59 Cb 1.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1d1r h ALA 59 CO 0.14 0.94 -0.26 0.93 0.00 0.00 0.00 179.25 181.00 1d1r h GLU 60 N 0.00 0.48 -0.31 0.00 4.39 -1.89 -2.16 114.58 115.10 1d1r h GLU 60 Ca -0.01 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1d1r h GLU 60 Cb 1.38 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1d1r h GLU 60 CO 0.10 0.71 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.55 1d1r h LEU 61 N 0.43 0.57 -0.55 1.33 3.38 -1.46 -1.99 115.31 117.02 1d1r h LEU 61 Ca 0.06 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1d1r h LEU 61 Cb 0.68 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1d1r h LEU 61 CO 0.05 0.77 0.33 0.74 0.09 0.00 0.00 178.44 180.42 1d1r h THR 62 N 0.36 1.16 -0.17 0.22 2.02 -1.47 -1.73 112.91 113.31 1d1r h THR 62 Ca 0.08 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1d1r h THR 62 Cb 0.50 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1d1r h THR 62 CO 0.02 0.17 0.00 0.50 0.37 0.00 0.00 175.52 176.58 1d1r h LYS 63 N 0.73 0.05 -0.93 6.66 3.64 -1.25 -1.33 116.57 124.16 1d1r h LYS 63 Ca 0.20 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 1d1r h LYS 63 Cb -0.02 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1d1r h LYS 63 CO -0.04 0.04 0.57 -0.07 -2.27 0.00 0.00 179.45 177.68 1d1r h LEU 64 N 0.06 0.87 -1.12 5.20 -0.00 -1.00 -0.16 115.31 119.15 1d1r h LEU 64 Ca 0.08 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1d1r h LEU 64 Cb 0.09 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 1d1r h LEU 64 CO -0.13 0.51 0.24 0.00 -0.00 0.00 0.00 178.44 179.06 1d1r h ALA 65 N 1.47 1.30 -0.05 1.53 0.00 -0.43 -1.50 119.26 121.58 1d1r h ALA 65 Ca 0.43 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1d1r h ALA 65 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1d1r h ALA 65 CO -0.22 0.52 -0.53 0.00 0.00 0.00 0.00 179.25 179.02 1d1r h ALA 66 N 1.41 1.01 -0.21 0.00 0.00 -0.01 -2.25 119.26 119.21 1d1r h ALA 66 Ca 0.20 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1d1r h ALA 66 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1d1r h ALA 66 CO -0.02 0.68 -0.59 0.93 0.00 0.00 0.00 179.25 180.25 1d1r h GLU 67 N 0.11 0.67 0.32 0.00 5.08 -0.47 -2.27 114.58 118.03 1d1r h GLU 67 Ca 0.00 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1d1r h GLU 67 Cb 0.98 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1d1r h GLU 67 CO 0.08 1.07 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.93 1d1r h LEU 68 N 0.51 -0.36 -0.99 1.33 3.38 -1.17 -3.10 115.31 114.90 1d1r h LEU 68 Ca 0.00 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 57.95 1d1r h LEU 68 Cb 1.16 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 1d1r h LEU 68 CO 0.12 0.05 0.61 0.50 0.09 0.00 0.00 178.44 179.81 1d1r h LYS 69 N -0.85 0.84 -0.70 1.13 3.64 -1.48 -0.44 116.57 118.70 1d1r h LYS 69 Ca -0.04 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.44 1d1r h LYS 69 Cb 0.52 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.03 1d1r h LYS 69 CO 0.07 0.55 0.01 -0.22 -2.27 0.00 0.00 179.45 177.60 1d1r h LYS 70 N 0.86 0.12 -2.17 1.90 3.64 -1.33 -1.47 116.57 118.12 1d1r h LYS 70 Ca 0.54 -0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 59.19 1d1r h LYS 70 Cb 0.70 -0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.16 1d1r h LYS 70 CO -0.33 0.08 0.36 1.63 -2.27 0.00 0.00 179.45 178.92 1d1r n LYS 71 N -5.31 4.24 0.00 1.90 5.02 -0.19 -4.73 118.16 119.08 1d1r n LYS 71 Ca 0.12 -4.57 0.00 0.00 -2.02 0.00 0.00 58.31 51.83 1d1r n LYS 71 Cb 0.42 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1d1r n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1d1r n GLY 73 N 2.54 0.70 0.00 0.00 0.00 -1.25 -5.07 105.19 102.11 1d1r n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d1r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1r s GLY 75 N 0.00 2.79 0.00 0.00 0.00 -1.26 -4.65 107.32 104.19 1d1r s GLY 75 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1d1r s GLY 75 CO 0.00 0.77 0.00 0.61 0.00 0.00 0.00 173.10 174.48 1d1r n GLY 76 N 1.06 1.07 2.95 0.20 0.00 -1.16 -4.96 105.19 104.35 1d1r n GLY 76 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1d1r n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d1r s ALA 77 N -4.30 1.26 -0.39 4.61 0.00 -0.70 -5.01 121.76 117.22 1d1r s ALA 77 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1d1r s ALA 77 Cb 0.00 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.48 1d1r s ALA 77 CO 0.00 -0.20 0.15 0.08 0.00 0.00 0.00 175.76 175.79 1d1r s VAL 78 N 1.29 1.72 0.01 0.00 1.01 -1.26 -1.59 120.40 121.58 1d1r s VAL 78 Ca -0.03 -2.33 0.08 0.00 0.00 0.00 0.00 61.98 59.70 1d1r s VAL 78 Cb -0.14 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1d1r s VAL 78 CO -0.03 -0.74 -0.23 -0.54 0.00 0.00 0.00 175.10 173.56 1d1r s LYS 79 N 0.72 1.75 -0.75 2.72 1.02 -1.10 -5.03 119.74 119.06 1d1r s LYS 79 Ca 0.14 -0.92 -0.24 0.00 0.02 0.00 0.00 55.97 54.97 1d1r s LYS 79 Cb -0.21 -1.78 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 1d1r s LYS 79 CO -0.09 0.47 2.42 -3.47 -0.92 0.00 0.00 175.35 173.77 1d1r n ASP 80 N 2.19 1.28 0.00 2.83 -0.08 -1.26 -1.66 116.55 119.85 1d1r n ASP 80 Ca -0.16 -0.79 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 1d1r n ASP 80 Cb 0.52 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1d1r n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1d1r n GLY 81 N 6.30 3.15 3.16 0.27 0.00 -1.26 -5.10 105.19 111.71 1d1r n GLY 81 Ca 0.49 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.17 0.03 1.61 1.01 -0.67 -4.63 120.40 117.93 1d1r s VAL 82 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1d1r s VAL 82 Cb 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1d1r s VAL 82 CO 0.00 -0.76 -0.05 -0.63 0.00 0.00 0.00 175.10 173.66 1d1r s ILE 83 N -3.92 0.28 -0.13 2.22 1.09 -0.50 -2.73 121.20 117.52 1d1r s ILE 83 Ca 0.09 -0.93 -0.05 0.00 -1.10 0.00 0.00 60.65 58.66 1d1r s ILE 83 Cb 0.06 -0.39 0.07 0.00 -1.06 0.00 0.00 42.46 41.14 1d1r s ILE 83 CO -0.08 -0.42 0.27 -0.70 -0.10 0.00 0.00 174.94 173.90 1d1r s GLU 84 N -1.43 0.16 -0.20 2.79 2.12 -0.62 -1.34 118.70 120.18 1d1r s GLU 84 Ca -0.13 0.76 0.01 0.00 0.36 0.00 0.00 54.97 55.97 1d1r s GLU 84 Cb -0.09 -0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.31 1d1r s GLU 84 CO -0.00 -0.28 -0.17 0.42 -0.54 0.00 0.00 175.26 174.69 1d1r s ILE 85 N 2.40 2.16 -0.27 -3.70 -1.09 -0.76 -1.72 121.20 118.22 1d1r s ILE 85 Ca 0.01 -1.07 -0.29 0.00 -2.23 0.00 0.00 60.65 57.07 1d1r s ILE 85 Cb -0.12 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.75 1d1r s ILE 85 CO -0.09 0.40 1.48 -1.10 -1.23 0.00 0.00 174.94 174.40 1d1r s GLN 86 N 1.26 3.81 0.00 2.79 1.11 -1.26 -2.36 119.66 125.00 1d1r s GLN 86 Ca 0.02 1.42 0.00 0.00 0.01 0.00 0.00 55.36 56.81 1d1r s GLN 86 Cb -0.15 -3.98 0.00 0.00 -1.01 0.00 0.00 33.01 27.88 1d1r s GLN 86 CO -0.11 -1.27 0.00 0.41 0.01 0.00 0.00 175.29 174.34 1d1r n GLY 87 N 4.58 -0.79 2.66 3.09 0.00 -0.92 -4.97 105.19 108.84 1d1r n GLY 87 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1d1r n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d1r n ASP 88 N 0.00 -1.15 -2.21 1.61 -0.08 -1.26 -3.07 116.55 110.38 1d1r n ASP 88 Ca 0.00 -1.70 -0.31 0.00 -1.51 0.00 0.00 54.79 51.27 1d1r n ASP 88 Cb 0.00 1.05 0.07 0.00 2.34 0.00 0.00 41.12 44.58 1d1r n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1d1r n LYS 89 N -0.19 2.92 -0.30 -0.67 5.02 -1.26 -4.71 118.16 118.97 1d1r n LYS 89 Ca -0.21 -3.53 0.23 0.00 -2.02 0.00 0.00 58.31 52.78 1d1r n LYS 89 Cb 0.68 -2.27 0.54 0.00 -0.02 0.00 0.00 35.03 33.96 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 2.00 0.34 -0.63 1.97 2.43 -1.97 0.28 114.38 118.78 1d1r h ARG 90 Ca 0.53 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.70 1d1r h ARG 90 Cb 1.10 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1d1r h ARG 90 CO 1.31 0.22 0.40 0.22 -1.51 0.00 0.00 179.97 180.61 1d1r h ASP 91 N 0.35 0.65 1.56 -3.80 1.82 -2.01 -0.77 116.42 114.21 1d1r h ASP 91 Ca 0.56 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.19 1d1r h ASP 91 Cb 1.52 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.38 1d1r h ASP 91 CO -0.23 0.46 -0.03 0.25 -1.61 0.00 0.00 179.24 178.08 1d1r h LEU 92 N 0.78 0.00 -0.27 2.28 6.46 -0.90 -3.17 115.31 120.49 1d1r h LEU 92 Ca 0.25 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1d1r h LEU 92 Cb -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1d1r h LEU 92 CO -0.09 0.03 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.46 1d1r h LEU 93 N 0.00 0.67 -1.60 2.25 3.38 0.23 -2.14 115.31 118.10 1d1r h LEU 93 Ca -0.00 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1d1r h LEU 93 Cb 0.81 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1d1r h LEU 93 CO 0.00 0.98 -0.16 0.50 0.09 0.00 0.00 178.44 179.86 1d1r h LYS 94 N 0.36 0.00 0.23 1.13 3.64 -1.37 -1.99 116.57 118.57 1d1r h LYS 94 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1d1r h LYS 94 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1d1r h LYS 94 CO 0.06 0.16 -0.11 1.03 -2.27 0.00 0.00 179.45 178.31 1d1r h SER 95 N 0.00 -0.27 -0.78 4.20 0.87 -1.47 -1.99 113.55 114.11 1d1r h SER 95 Ca -0.00 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.72 1d1r h SER 95 Cb 0.51 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 1d1r h SER 95 CO 0.02 0.15 0.52 0.17 -0.53 0.00 0.00 176.83 177.16 1d1r h LEU 96 N -1.00 0.41 -0.16 2.23 8.10 -1.40 -0.70 115.31 122.79 1d1r h LEU 96 Ca -0.03 0.03 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 1d1r h LEU 96 Cb 0.24 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1d1r h LEU 96 CO 0.05 0.21 -0.04 0.25 -4.11 0.00 0.00 178.44 174.81 1d1r h LEU 97 N 0.44 0.31 -1.36 0.17 6.46 -1.41 -2.43 115.31 117.50 1d1r h LEU 97 Ca 0.39 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1d1r h LEU 97 Cb 0.87 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1d1r h LEU 97 CO -0.13 0.60 0.00 -0.08 -0.62 0.00 0.00 178.44 178.21 1d1r h GLU 98 N 0.02 0.00 -0.35 1.25 4.81 -0.38 -2.29 114.58 117.63 1d1r h GLU 98 Ca 0.04 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1d1r h GLU 98 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1d1r h GLU 98 CO 0.02 0.00 -0.21 0.00 -0.73 0.00 0.00 179.01 178.09 1d1r h ALA 99 N 2.11 0.99 0.17 2.92 0.00 -0.69 -3.11 119.26 121.64 1d1r h ALA 99 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 54.24 1d1r h ALA 99 Cb 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1d1r h ALA 99 CO 0.00 0.60 -1.54 0.87 0.00 0.00 0.00 179.25 179.18 1d1r h LYS 100 N 0.59 0.37 0.00 0.00 6.56 -1.45 -3.48 116.57 119.15 1d1r h LYS 100 Ca 0.09 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1d1r h LYS 100 Cb 0.68 0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1d1r h LYS 100 CO 0.05 1.27 0.00 0.41 -2.06 0.00 0.00 179.45 179.12 1d1r n GLY 101 N 1.71 1.41 3.92 3.86 0.00 -1.09 -5.11 105.19 109.91 1d1r n GLY 101 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1d1r n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d1r s MET 102 N -0.10 3.53 -0.54 1.61 -1.94 -1.24 -5.02 119.30 115.60 1d1r s MET 102 Ca 0.00 -0.12 -0.27 0.00 -1.71 0.00 0.00 55.69 53.60 1d1r s MET 102 Cb 0.00 -2.58 0.03 0.00 2.01 0.00 0.00 34.83 34.29 1d1r s MET 102 CO 0.00 0.06 1.06 0.15 -0.01 0.00 0.00 175.02 176.28 1d1r s LYS 103 N -4.28 3.49 0.24 2.03 1.02 -1.19 -4.72 119.74 116.33 1d1r s LYS 103 Ca 0.43 0.12 -0.21 0.00 0.02 0.00 0.00 55.97 56.33 1d1r s LYS 103 Cb -0.10 -4.00 -0.09 0.00 -0.52 0.00 0.00 37.83 33.13 1d1r s LYS 103 CO 0.37 -1.50 0.76 0.54 -0.92 0.00 0.00 175.35 174.61 1d1r s VAL 104 N 4.37 4.50 -0.75 3.17 0.11 -1.26 -3.33 120.40 127.20 1d1r s VAL 104 Ca 0.39 1.38 -0.00 0.00 -2.93 0.00 0.00 61.98 60.82 1d1r s VAL 104 Cb -0.09 -3.89 0.19 0.00 -1.53 0.00 0.00 36.38 31.05 1d1r s VAL 104 CO 0.25 0.20 0.59 -0.54 -3.33 0.00 0.00 175.10 172.26 1d1r s LYS 105 N -1.98 2.81 0.57 1.54 1.02 -0.84 -4.91 119.74 117.95 1d1r s LYS 105 Ca 0.44 -3.05 0.36 0.00 0.02 0.00 0.00 55.97 53.74 1d1r s LYS 105 Cb -0.17 -3.73 1.42 0.00 -0.52 0.00 0.00 37.83 34.83 1d1r s LYS 105 CO 0.21 -1.23 1.64 1.25 -0.92 0.00 0.00 175.35 176.30 1d1r h LEU 106 N 6.18 0.00 -2.36 3.17 5.85 -1.88 -3.34 115.31 122.92 1d1r h LEU 106 Ca 0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1d1r h LEU 106 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1d1r h LEU 106 CO 0.77 0.00 -0.43 0.00 -0.34 0.00 0.00 178.44 178.44 1d1r n ALA 107 N -2.59 -2.89 -3.79 1.25 0.00 -1.26 -4.52 120.51 106.71 1d1r n ALA 107 Ca 0.26 0.90 -0.08 0.00 0.00 0.00 0.00 53.44 54.52 1d1r n ALA 107 Cb 1.39 -3.26 0.01 0.00 0.00 0.00 0.00 19.45 17.58 1d1r n ALA 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1d1r s GLY 108 N -2.65 0.25 0.00 0.00 0.00 -1.26 -4.85 107.32 98.81 1d1r s GLY 108 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1d1r s GLY 108 CO 0.77 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1d1r n GLY 109 N -0.51 -1.30 3.76 0.20 0.00 -1.26 -5.12 105.19 100.97 1d1r n GLY 109 Ca -0.07 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 1d1r n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d1r s LEU 110 N 0.00 4.09 0.00 0.99 1.43 -1.26 -5.33 118.68 118.60 1d1r s LEU 110 Ca 0.00 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1d1r s LEU 110 Cb 0.00 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1d1r s LEU 110 CO 0.00 -1.14 0.00 1.21 0.23 0.00 0.00 176.35 176.65