#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 -0.05 -0.37 0.72 0.00 -1.26 -5.08 107.32 101.28 1d1r s GLY 30 Ca 0.00 2.41 0.12 0.00 0.00 0.00 0.00 44.72 47.25 1d1r s GLY 30 CO 0.00 0.89 1.18 1.34 0.00 0.00 0.00 173.10 176.51 1d1r n ASP 31 N 0.28 -0.65 0.00 1.64 2.03 -1.26 -5.09 116.55 113.49 1d1r n ASP 31 Ca 0.02 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1d1r n ASP 31 Cb 0.58 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 1d1r n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d1r n GLY 32 N -0.33 2.94 2.60 0.27 0.00 -1.26 -4.84 105.19 104.57 1d1r n GLY 32 Ca 0.03 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 1d1r n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1r s VAL 33 N 0.00 -0.11 -0.44 1.61 1.01 -1.26 -2.62 120.40 118.58 1d1r s VAL 33 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1d1r s VAL 33 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1d1r s VAL 33 CO 0.00 -0.75 0.59 -0.69 0.00 0.00 0.00 175.10 174.26 1d1r s VAL 34 N 1.60 4.89 -0.10 2.92 1.01 -1.26 -3.81 120.40 125.66 1d1r s VAL 34 Ca 0.14 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1d1r s VAL 34 Cb -0.18 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1d1r s VAL 34 CO -0.14 -0.59 0.45 -0.13 0.00 0.00 0.00 175.10 174.70 1d1r s ARG 35 N 2.64 4.27 -0.10 2.72 0.52 -1.26 -4.21 118.95 123.54 1d1r s ARG 35 Ca 0.19 0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.85 1d1r s ARG 35 Cb -0.15 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.93 1d1r s ARG 35 CO 0.17 0.26 -0.15 0.42 0.02 0.00 0.00 175.30 176.01 1d1r s ILE 36 N 0.30 1.47 0.00 1.52 1.01 -1.23 -3.79 121.20 120.48 1d1r s ILE 36 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1d1r s ILE 36 Cb -0.15 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1d1r s ILE 36 CO 0.10 0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.48 1d1r n GLN 37 N 4.01 0.00 -3.73 2.79 10.64 -1.22 -2.21 117.38 127.67 1d1r n GLN 37 Ca -0.20 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.75 1d1r n GLN 37 Cb 0.52 0.00 -0.18 0.00 -0.86 0.00 0.00 30.24 29.72 1d1r n GLN 37 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1d1r s ARG 38 N -1.37 0.36 -0.28 2.61 1.70 -1.26 -2.76 118.95 117.96 1d1r s ARG 38 Ca 0.00 0.15 -0.19 0.00 -0.47 0.00 0.00 55.73 55.22 1d1r s ARG 38 Cb 0.00 -0.95 -0.02 0.00 -0.57 0.00 0.00 34.95 33.41 1d1r s ARG 38 CO 0.00 -0.35 0.57 -1.14 -1.08 0.00 0.00 175.30 173.30 1d1r s GLN 39 N 2.04 3.98 0.06 3.89 0.74 -1.08 -4.96 119.66 124.33 1d1r s GLN 39 Ca 0.04 0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.77 1d1r s GLN 39 Cb -0.13 -3.69 0.01 0.00 1.10 0.00 0.00 33.01 30.30 1d1r s GLN 39 CO -0.05 -0.46 0.06 0.25 -0.55 0.00 0.00 175.29 174.54 1d1r n THR 40 N 5.27 0.00 0.00 -0.34 -2.24 -1.26 -4.06 114.28 111.65 1d1r n THR 40 Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1d1r n THR 40 Cb 0.49 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1d1r n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1d1r n SER 41 N -2.35 -0.05 -3.05 3.42 2.88 -1.26 -5.12 113.62 108.09 1d1r n SER 41 Ca 0.01 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1d1r n SER 41 Cb 0.07 0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.06 3.02 2.42 0.46 0.00 -1.26 -5.08 105.19 103.69 1d1r n GLY 42 Ca 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 1d1r n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1r n ARG 43 N -0.94 1.11 -1.02 1.61 1.74 -1.26 -4.85 116.66 113.05 1d1r n ARG 43 Ca -0.01 -3.35 -0.06 0.00 -0.77 0.00 0.00 57.85 53.65 1d1r n ARG 43 Cb 0.23 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 1d1r n ARG 43 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1d1r n LYS 44 N 0.11 0.04 0.00 5.56 2.85 -1.26 -5.11 118.16 120.35 1d1r n LYS 44 Ca 0.18 -0.95 0.00 0.00 -1.05 0.00 0.00 58.31 56.49 1d1r n LYS 44 Cb 0.73 0.50 0.00 0.00 -0.65 0.00 0.00 35.03 35.61 1d1r n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1d1r n GLY 45 N -0.05 2.74 0.00 2.58 0.00 -1.26 -5.19 105.19 104.02 1d1r n GLY 45 Ca -0.26 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1d1r n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d1r n LYS 46 N 0.00 1.40 -0.75 1.61 5.02 -1.26 -5.18 118.16 119.01 1d1r n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1d1r n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1d1r n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d1r n GLY 47 N 1.76 4.52 3.39 0.72 0.00 -1.26 -4.93 105.19 109.39 1d1r n GLY 47 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 1d1r n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d1r s VAL 48 N -1.55 0.02 -0.08 1.61 -7.23 -1.26 -4.63 120.40 107.29 1d1r s VAL 48 Ca 0.00 -0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 59.82 1d1r s VAL 48 Cb 0.00 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1d1r s VAL 48 CO 0.00 -0.08 0.55 0.00 -0.31 0.00 0.00 175.10 175.26 1d1r s LEU 50 N 0.46 2.85 -0.25 0.00 0.20 -1.11 -1.87 118.68 118.95 1d1r s LEU 50 Ca 0.30 -0.91 0.03 0.00 0.69 0.00 0.00 54.13 54.24 1d1r s LEU 50 Cb -0.16 -1.57 0.06 0.00 -0.43 0.00 0.00 46.19 44.09 1d1r s LEU 50 CO 0.14 -0.09 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.36 1d1r s ILE 51 N 1.26 2.12 0.11 6.68 1.01 -0.91 -3.42 121.20 128.05 1d1r s ILE 51 Ca -0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.03 1d1r s ILE 51 Cb -0.16 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1d1r s ILE 51 CO -0.08 -0.01 0.11 0.28 0.00 0.00 0.00 174.94 175.24 1d1r s THR 52 N 1.13 0.13 0.00 2.92 -1.32 -1.25 -1.67 115.64 115.59 1d1r s THR 52 Ca -0.08 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 1d1r s THR 52 Cb -0.20 -1.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 1d1r s THR 52 CO -0.05 -0.61 0.00 0.61 -2.21 0.00 0.00 174.62 172.36 1d1r n GLY 53 N -0.06 1.20 3.62 6.08 0.00 -1.26 -4.21 105.19 110.56 1d1r n GLY 53 Ca -0.10 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 4.22 -1.13 1.61 1.01 -1.25 -4.53 120.40 118.33 1d1r s VAL 54 Ca 0.00 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1d1r s VAL 54 Cb 0.00 -4.41 0.27 0.00 0.00 0.00 0.00 36.38 32.24 1d1r s VAL 54 CO 0.00 -0.73 1.58 -0.67 0.00 0.00 0.00 175.10 175.28 1d1r n ASP 55 N 7.70 6.05 -4.07 3.32 2.03 -1.26 -4.94 116.55 125.38 1d1r n ASP 55 Ca 0.13 -3.32 -0.17 0.00 0.52 0.00 0.00 54.79 51.95 1d1r n ASP 55 Cb 0.48 -1.33 -0.10 0.00 -0.72 0.00 0.00 41.12 39.45 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 -2.03 1.54 1.07 -2.67 1.43 -1.26 -4.07 118.68 112.69 1d1r s LEU 56 Ca 0.33 -1.49 -0.21 0.00 -1.03 0.00 0.00 54.13 51.73 1d1r s LEU 56 Cb 0.06 0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.52 1d1r s LEU 56 CO 0.07 -0.85 -0.51 0.47 0.23 0.00 0.00 176.35 175.76 1d1r n ASP 57 N -0.71 -2.62 0.06 2.29 8.00 -1.26 -4.80 116.55 117.51 1d1r n ASP 57 Ca 0.02 -0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.20 1d1r n ASP 57 Cb 0.65 -0.78 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 1d1r n ASP 57 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1d1r h ASP 58 N -1.77 0.89 0.11 -2.24 5.19 -2.00 -3.18 116.42 113.42 1d1r h ASP 58 Ca -0.46 -0.75 -0.04 0.00 -0.62 0.00 0.00 57.03 55.15 1d1r h ASP 58 Cb 1.32 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 1d1r h ASP 58 CO 0.31 1.55 -0.16 0.00 -3.12 0.00 0.00 179.24 177.82 1d1r h ALA 59 N 0.38 1.59 -0.36 3.45 0.00 -2.00 -2.66 119.26 119.66 1d1r h ALA 59 Ca -0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1d1r h ALA 59 Cb 1.77 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1d1r h ALA 59 CO 0.22 0.30 0.18 0.93 0.00 0.00 0.00 179.25 180.88 1d1r h GLU 60 N 0.11 0.51 -0.83 0.00 5.08 -1.88 -1.09 114.58 116.49 1d1r h GLU 60 Ca 0.02 -0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1d1r h GLU 60 Cb 0.36 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 1d1r h GLU 60 CO 0.02 0.44 0.43 -0.07 -1.00 0.00 0.00 179.01 178.84 1d1r h LEU 61 N 0.45 0.55 -0.96 1.33 3.38 -1.50 0.26 115.31 118.82 1d1r h LEU 61 Ca 0.12 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1d1r h LEU 61 Cb 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1d1r h LEU 61 CO -0.02 0.26 -0.37 0.74 0.09 0.00 0.00 178.44 179.14 1d1r h THR 62 N 0.65 0.90 0.83 0.22 2.02 -1.43 -1.88 112.91 114.22 1d1r h THR 62 Ca 0.44 -1.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 1d1r h THR 62 Cb 0.56 1.91 0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1d1r h THR 62 CO -0.33 0.37 -0.40 0.50 0.37 0.00 0.00 175.52 176.02 1d1r h LYS 63 N 0.00 -1.08 -0.11 6.66 3.64 0.79 -2.02 116.57 124.46 1d1r h LYS 63 Ca -0.00 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1d1r h LYS 63 Cb 0.88 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1d1r h LYS 63 CO 0.05 -0.72 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.27 1d1r h LEU 64 N -1.29 0.17 -0.16 5.20 3.38 -1.46 -2.04 115.31 119.10 1d1r h LEU 64 Ca -0.11 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1d1r h LEU 64 Cb 0.86 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1d1r h LEU 64 CO 0.19 0.36 -0.01 0.00 0.09 0.00 0.00 178.44 179.07 1d1r h ALA 65 N 1.66 0.13 0.00 1.53 0.00 -1.19 -1.66 119.26 119.73 1d1r h ALA 65 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1d1r h ALA 65 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1d1r h ALA 65 CO 0.03 -0.45 -0.48 0.00 0.00 0.00 0.00 179.25 178.35 1d1r h ALA 66 N 1.14 1.02 -0.22 0.00 0.00 -1.12 -2.13 119.26 117.95 1d1r h ALA 66 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1d1r h ALA 66 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1d1r h ALA 66 CO -0.13 0.59 -0.10 0.93 0.00 0.00 0.00 179.25 180.55 1d1r h GLU 67 N 0.00 0.36 0.07 0.00 5.08 -0.60 -2.74 114.58 116.74 1d1r h GLU 67 Ca -0.00 -0.08 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 1d1r h GLU 67 Cb 0.96 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1d1r h GLU 67 CO 0.06 0.46 -1.71 -0.07 -1.00 0.00 0.00 179.01 176.76 1d1r h LEU 68 N 0.34 0.23 -1.73 1.33 3.38 -1.16 -3.31 115.31 114.39 1d1r h LEU 68 Ca 0.07 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1d1r h LEU 68 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1d1r h LEU 68 CO 0.02 1.38 0.00 0.11 0.09 0.00 0.00 178.44 180.04 1d1r h LYS 69 N 0.04 0.00 0.00 1.13 1.57 -1.23 -1.41 116.57 116.67 1d1r h LYS 69 Ca -0.30 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 1d1r h LYS 69 Cb 2.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.30 1d1r h LYS 69 CO 0.11 0.00 -0.62 -0.22 -0.57 0.00 0.00 179.45 178.15 1d1r h LYS 70 N 0.00 0.00 0.08 3.15 3.64 -1.58 -0.07 116.57 121.80 1d1r h LYS 70 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1d1r h LYS 70 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1d1r h LYS 70 CO 0.00 0.62 -0.04 0.87 -2.27 0.00 0.00 179.45 178.63 1d1r h LYS 71 N 0.00 -0.11 0.53 1.90 1.57 -1.43 -3.37 116.57 115.65 1d1r h LYS 71 Ca -0.01 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1d1r h LYS 71 Cb 1.24 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.58 1d1r h LYS 71 CO 0.08 -0.07 -0.25 0.00 -0.57 0.00 0.00 179.45 178.64 1d1r n GLY 73 N -0.74 0.58 0.00 0.00 0.00 -0.04 -4.96 105.19 100.03 1d1r n GLY 73 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.96 3.42 0.00 0.00 -1.26 -5.00 105.19 103.31 1d1r n GLY 75 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.31 1.67 -0.22 -0.02 0.00 -1.26 -4.23 107.32 101.95 1d1r s GLY 76 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 1d1r s GLY 76 CO 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 173.10 173.23 1d1r s ALA 77 N 0.86 2.92 -0.17 3.20 0.00 -0.62 -4.99 121.76 122.96 1d1r s ALA 77 Ca -0.01 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 1d1r s ALA 77 Cb -0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1d1r s ALA 77 CO 0.02 -0.35 0.72 0.08 0.00 0.00 0.00 175.76 176.22 1d1r s VAL 78 N 1.36 4.97 0.06 0.00 1.01 -1.26 -1.55 120.40 124.98 1d1r s VAL 78 Ca 0.04 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.52 1d1r s VAL 78 Cb -0.14 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1d1r s VAL 78 CO -0.01 0.09 -0.26 -0.54 0.00 0.00 0.00 175.10 174.39 1d1r s LYS 79 N 1.87 1.67 -0.56 2.72 3.01 0.32 -4.97 119.74 123.81 1d1r s LYS 79 Ca 0.34 -1.15 -0.27 0.00 -1.01 0.00 0.00 55.97 53.88 1d1r s LYS 79 Cb -0.16 -1.92 -0.03 0.00 -1.01 0.00 0.00 37.83 34.71 1d1r s LYS 79 CO 0.12 0.49 1.94 -0.51 0.51 0.00 0.00 175.35 177.90 1d1r s ASP 80 N -1.42 5.20 0.00 2.83 1.11 -1.26 -1.49 116.67 121.64 1d1r s ASP 80 Ca 0.12 0.57 0.00 0.00 0.18 0.00 0.00 52.55 53.42 1d1r s ASP 80 Cb -0.10 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1d1r s ASP 80 CO 0.03 -2.38 0.00 0.61 1.18 0.00 0.00 175.17 174.60 1d1r n GLY 81 N 5.72 0.73 2.82 0.21 0.00 -1.26 -5.03 105.19 108.37 1d1r n GLY 81 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.13 -0.21 -0.25 1.61 1.01 -0.55 -4.43 120.40 115.44 1d1r s VAL 82 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1d1r s VAL 82 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1d1r s VAL 82 CO 0.00 0.14 0.10 -0.63 0.00 0.00 0.00 175.10 174.71 1d1r s ILE 83 N 2.13 4.62 -0.25 2.22 -1.09 -0.67 -0.52 121.20 127.65 1d1r s ILE 83 Ca 0.02 -0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1d1r s ILE 83 Cb -0.12 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1d1r s ILE 83 CO -0.05 0.33 0.08 -1.61 -1.23 0.00 0.00 174.94 172.46 1d1r s GLU 84 N 1.50 3.68 0.34 2.79 2.02 -0.60 -2.15 118.70 126.28 1d1r s GLU 84 Ca 0.06 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.68 1d1r s GLU 84 Cb -0.15 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.68 1d1r s GLU 84 CO 0.05 -0.17 -0.04 0.42 0.02 0.00 0.00 175.26 175.54 1d1r s ILE 85 N 1.58 2.51 -0.06 -1.63 -1.09 -0.78 -1.60 121.20 120.13 1d1r s ILE 85 Ca 0.06 -2.08 0.04 0.00 -2.23 0.00 0.00 60.65 56.44 1d1r s ILE 85 Cb -0.15 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1d1r s ILE 85 CO 0.04 -0.22 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.25 1d1r s GLN 86 N -3.66 2.12 0.00 2.79 -0.21 -1.26 -2.37 119.66 117.07 1d1r s GLN 86 Ca 0.34 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1d1r s GLN 86 Cb 0.00 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.27 1d1r s GLN 86 CO 0.18 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 1d1r n GLY 87 N 3.36 3.30 2.52 3.09 0.00 -1.26 -4.91 105.19 111.29 1d1r n GLY 87 Ca -0.19 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 1d1r n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d1r s ASP 88 N 0.00 2.38 -0.34 1.61 -1.08 -1.26 -4.18 116.67 113.80 1d1r s ASP 88 Ca 0.00 -3.06 0.16 0.00 -0.52 0.00 0.00 52.55 49.13 1d1r s ASP 88 Cb 0.00 -0.69 0.43 0.00 -1.46 0.00 0.00 42.92 41.20 1d1r s ASP 88 CO 0.00 -0.18 0.97 0.29 0.52 0.00 0.00 175.17 176.77 1d1r n LYS 89 N 2.90 1.12 -0.10 4.34 5.02 -1.26 -4.92 118.16 125.26 1d1r n LYS 89 Ca 0.24 -3.07 0.26 0.00 -2.02 0.00 0.00 58.31 53.73 1d1r n LYS 89 Cb 0.43 -1.16 0.62 0.00 -0.02 0.00 0.00 35.03 34.90 1d1r n LYS 89 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1d1r h ARG 90 N 2.88 0.00 0.64 1.97 -0.00 -1.95 0.40 114.38 118.32 1d1r h ARG 90 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.86 1d1r h ARG 90 Cb 1.16 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.14 1d1r h ARG 90 CO 0.42 0.00 -0.31 0.22 -0.00 0.00 0.00 179.97 180.30 1d1r h ASP 91 N 0.00 -0.73 -0.18 0.08 1.82 -2.00 -1.32 116.42 114.09 1d1r h ASP 91 Ca 0.38 -0.02 0.02 0.00 -0.39 0.00 0.00 57.03 57.02 1d1r h ASP 91 Cb 2.06 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 42.24 1d1r h ASP 91 CO -0.00 -0.38 0.04 0.25 -1.61 0.00 0.00 179.24 177.53 1d1r h LEU 92 N -1.11 0.02 -1.64 2.28 6.46 -1.36 -0.90 115.31 119.07 1d1r h LEU 92 Ca -0.09 0.03 0.21 0.00 -0.12 0.00 0.00 57.88 57.91 1d1r h LEU 92 Cb 0.70 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.61 1d1r h LEU 92 CO 0.15 0.04 0.59 -0.07 -0.62 0.00 0.00 178.44 178.52 1d1r h LEU 93 N 0.11 0.30 0.84 2.25 3.38 -1.37 -0.20 115.31 120.63 1d1r h LEU 93 Ca 0.08 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1d1r h LEU 93 Cb 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1d1r h LEU 93 CO -0.10 0.12 -0.41 0.50 0.09 0.00 0.00 178.44 178.65 1d1r h LYS 94 N 0.30 -1.09 0.00 1.13 3.11 0.05 -1.45 116.57 118.62 1d1r h LYS 94 Ca 0.44 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.36 1d1r h LYS 94 Cb 1.25 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.73 1d1r h LYS 94 CO -0.13 -0.72 0.00 0.45 -2.81 0.00 0.00 179.45 176.24 1d1r n SER 95 N -5.57 0.23 0.09 4.20 2.88 -0.65 -1.77 113.62 113.04 1d1r n SER 95 Ca -0.15 0.58 -0.06 0.00 -1.33 0.00 0.00 58.87 57.91 1d1r n SER 95 Cb 0.45 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 1d1r n SER 95 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1d1r h LEU 96 N 0.00 -0.27 -1.39 2.46 6.46 -0.03 -2.58 115.31 119.95 1d1r h LEU 96 Ca 0.00 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1d1r h LEU 96 Cb 0.17 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1d1r h LEU 96 CO 0.00 0.21 -0.16 0.25 -0.62 0.00 0.00 178.44 178.12 1d1r h LEU 97 N -1.07 0.00 -0.78 2.25 7.12 -1.28 -2.47 115.31 119.09 1d1r h LEU 97 Ca -0.03 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.89 1d1r h LEU 97 Cb 0.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1d1r h LEU 97 CO 0.05 0.16 -0.43 -0.08 -0.13 0.00 0.00 178.44 178.01 1d1r h GLU 98 N 0.00 0.00 0.00 1.25 4.81 -1.41 -2.80 114.58 116.43 1d1r h GLU 98 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1d1r h GLU 98 Cb 0.60 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1d1r h GLU 98 CO 0.02 0.43 -0.12 0.00 -0.73 0.00 0.00 179.01 178.61 1d1r h ALA 99 N 1.57 1.02 -0.43 2.92 0.00 -1.01 -2.30 119.26 121.03 1d1r h ALA 99 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1d1r h ALA 99 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1d1r h ALA 99 CO 0.06 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.09 1d1r n LYS 100 N -3.27 2.18 -3.05 0.00 5.02 -1.06 -4.91 118.16 113.07 1d1r n LYS 100 Ca 0.00 -1.81 -0.17 0.00 -2.02 0.00 0.00 58.31 54.31 1d1r n LYS 100 Cb 0.38 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 1d1r n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d1r n GLY 101 N 1.33 -0.48 1.36 0.72 0.00 -0.87 -4.91 105.19 102.35 1d1r n GLY 101 Ca 0.18 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1d1r n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d1r n MET 102 N -3.22 -0.00 -3.10 1.61 2.00 -1.22 -4.99 117.12 108.20 1d1r n MET 102 Ca -0.02 -0.86 -0.42 0.00 0.00 0.00 0.00 57.70 56.39 1d1r n MET 102 Cb 0.54 -0.34 0.00 0.00 0.00 0.00 0.00 33.22 33.41 1d1r n MET 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1d1r n LYS 103 N -1.80 4.19 -3.27 0.03 5.02 -1.08 -4.94 118.16 116.31 1d1r n LYS 103 Ca 0.06 -4.55 -0.35 0.00 -2.02 0.00 0.00 58.31 51.45 1d1r n LYS 103 Cb 0.21 -2.50 -0.06 0.00 -0.02 0.00 0.00 35.03 32.65 1d1r n LYS 103 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1d1r s VAL 104 N -2.49 4.77 -0.32 -0.18 0.11 -1.26 -3.98 120.40 117.03 1d1r s VAL 104 Ca 0.31 0.93 0.08 0.00 -2.93 0.00 0.00 61.98 60.37 1d1r s VAL 104 Cb 0.02 -3.75 0.53 0.00 -1.53 0.00 0.00 36.38 31.66 1d1r s VAL 104 CO 0.06 0.17 1.54 1.17 -3.33 0.00 0.00 175.10 174.72 1d1r n LYS 105 N 0.60 1.93 0.00 1.54 4.81 -1.26 -5.02 118.16 120.76 1d1r n LYS 105 Ca -0.03 -3.19 0.00 0.00 -0.87 0.00 0.00 58.31 54.22 1d1r n LYS 105 Cb 0.52 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1d1r n LYS 105 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1d1r n LEU 106 N -1.13 0.00 -3.60 3.14 7.94 -1.26 -3.10 117.00 119.00 1d1r n LEU 106 Ca 0.38 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.90 1d1r n LEU 106 Cb 1.14 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 45.08 1d1r n LEU 106 CO 0.27 -0.05 1.01 0.00 -1.11 0.00 0.00 177.39 177.51 1d1r n ALA 107 N 2.51 5.42 -1.10 1.96 0.00 -0.94 -3.52 120.51 124.85 1d1r n ALA 107 Ca 0.00 -4.70 -0.29 0.00 0.00 0.00 0.00 53.44 48.46 1d1r n ALA 107 Cb 0.00 -1.86 0.18 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.94 1.57 -0.04 0.00 0.00 -1.18 -4.92 107.32 100.81 1d1r s GLY 108 Ca 0.39 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 1d1r s GLY 108 CO -0.06 0.33 1.04 -0.32 0.00 0.00 0.00 173.10 174.09 1d1r s GLY 109 N -3.34 -0.37 -0.33 0.20 0.00 -1.26 -5.04 107.32 97.19 1d1r s GLY 109 Ca 0.65 1.04 -0.01 0.00 0.00 0.00 0.00 44.72 46.40 1d1r s GLY 109 CO 0.58 0.33 1.28 1.47 0.00 0.00 0.00 173.10 176.76 1d1r n LEU 110 N -0.26 -1.26 0.00 0.66 -0.00 -1.26 -5.32 117.00 109.57 1d1r n LEU 110 Ca -0.05 -1.78 0.00 0.00 -0.00 0.00 0.00 56.01 54.17 1d1r n LEU 110 Cb 0.61 0.66 0.00 0.00 -0.00 0.00 0.00 43.42 44.68 1d1r n LEU 110 CO 0.11 1.58 0.21 -0.62 -0.00 0.00 0.00 177.39 178.66