#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 1.06 2.66 0.72 0.00 -1.26 -5.13 105.19 103.24 1d1r n GLY 30 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.23 1d1r n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d1r s ASP 31 N 0.00 -0.03 0.00 1.61 -1.08 -1.26 -5.14 116.67 110.77 1d1r s ASP 31 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1d1r s ASP 31 Cb 0.00 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1d1r s ASP 31 CO 0.00 -0.00 0.00 0.61 0.52 0.00 0.00 175.17 176.30 1d1r n GLY 32 N 3.10 3.47 2.89 2.66 0.00 -1.26 -5.05 105.19 111.00 1d1r n GLY 32 Ca 0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 1.98 0.54 1.61 1.01 -1.26 -3.45 120.40 120.83 1d1r s VAL 33 Ca 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 61.98 59.35 1d1r s VAL 33 Cb 0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1d1r s VAL 33 CO 0.00 -0.74 0.85 -0.69 0.00 0.00 0.00 175.10 174.52 1d1r s VAL 34 N 0.50 4.28 -0.06 2.92 1.01 -1.23 -4.57 120.40 123.25 1d1r s VAL 34 Ca 0.14 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1d1r s VAL 34 Cb -0.22 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1d1r s VAL 34 CO -0.06 -0.67 0.17 -0.13 0.00 0.00 0.00 175.10 174.41 1d1r s ARG 35 N -4.88 0.22 -0.05 2.72 0.52 -1.19 -2.00 118.95 114.29 1d1r s ARG 35 Ca 0.51 0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1d1r s ARG 35 Cb -0.10 0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.51 1d1r s ARG 35 CO 0.45 -0.03 0.09 0.42 0.02 0.00 0.00 175.30 176.26 1d1r s ILE 36 N 0.01 -0.12 -0.15 1.52 1.09 -1.23 -2.64 121.20 119.68 1d1r s ILE 36 Ca -0.01 0.31 -0.05 0.00 -1.10 0.00 0.00 60.65 59.80 1d1r s ILE 36 Cb -0.02 -0.19 0.07 0.00 -1.06 0.00 0.00 42.46 41.27 1d1r s ILE 36 CO 0.00 0.13 0.28 0.00 -0.10 0.00 0.00 174.94 175.26 1d1r s GLN 37 N 1.74 0.18 -0.37 2.79 -2.07 -1.25 -4.56 119.66 116.12 1d1r s GLN 37 Ca -0.02 0.74 -0.41 0.00 -1.82 0.00 0.00 55.36 53.86 1d1r s GLN 37 Cb -0.12 -0.08 -0.16 0.00 -1.09 0.00 0.00 33.01 31.56 1d1r s GLN 37 CO -0.04 -0.32 1.89 -2.13 -1.32 0.00 0.00 175.29 173.37 1d1r n ARG 38 N 5.35 0.73 -2.94 9.60 0.00 -1.26 -3.96 116.66 124.18 1d1r n ARG 38 Ca -0.06 0.25 -0.41 0.00 -0.00 0.00 0.00 57.85 57.63 1d1r n ARG 38 Cb 0.50 -1.97 -0.04 0.00 0.00 0.00 0.00 32.46 30.95 1d1r n ARG 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1d1r s GLN 39 N 4.50 4.38 0.56 -0.14 -0.44 -0.66 -4.93 119.66 122.94 1d1r s GLN 39 Ca 1.06 0.99 0.05 0.00 -2.50 0.00 0.00 55.36 54.95 1d1r s GLN 39 Cb -1.18 -3.51 0.06 0.00 -1.64 0.00 0.00 33.01 26.74 1d1r s GLN 39 CO 0.65 -0.13 0.77 -0.08 0.50 0.00 0.00 175.29 177.00 1d1r s THR 40 N 1.45 2.52 0.00 -0.34 -1.32 -1.26 -3.68 115.64 113.01 1d1r s THR 40 Ca 0.39 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1d1r s THR 40 Cb -0.18 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1d1r s THR 40 CO 0.16 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.33 1d1r n SER 41 N -2.30 0.00 0.00 8.08 2.88 -1.26 -5.07 113.62 115.95 1d1r n SER 41 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1d1r n SER 41 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.00 1.77 2.80 0.46 0.00 -1.26 -4.87 105.19 104.09 1d1r n GLY 42 Ca 0.00 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 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 1.68 2.90 -1.14 1.61 1.85 -1.26 -4.73 116.66 117.57 1d1r n ARG 43 Ca 0.00 -4.62 0.00 0.00 -1.00 0.00 0.00 57.85 52.23 1d1r n ARG 43 Cb 0.00 -2.15 -0.01 0.00 -1.05 0.00 0.00 32.46 29.25 1d1r n ARG 43 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1d1r n LYS 44 N -0.18 0.00 -3.24 2.89 5.02 -1.26 -5.12 118.16 116.27 1d1r n LYS 44 Ca 0.30 -1.42 0.02 0.00 -2.02 0.00 0.00 58.31 55.20 1d1r n LYS 44 Cb 0.45 0.07 0.01 0.00 -0.02 0.00 0.00 35.03 35.53 1d1r n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d1r n GLY 45 N 0.25 0.31 3.95 0.72 0.00 -1.26 -5.17 105.19 103.99 1d1r n GLY 45 Ca -0.05 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1d1r n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1r s LYS 46 N -2.01 0.98 0.00 1.61 1.02 -1.26 -5.09 119.74 115.00 1d1r s LYS 46 Ca 0.20 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1d1r s LYS 46 Cb -0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1d1r s LYS 46 CO -0.01 -2.12 0.00 0.41 -0.92 0.00 0.00 175.35 172.71 1d1r n GLY 47 N -3.50 2.81 3.38 -3.33 0.00 -1.26 -4.98 105.19 98.31 1d1r n GLY 47 Ca 0.15 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 2.13 0.04 -0.31 1.61 -7.23 -1.24 -4.74 120.40 110.65 1d1r s VAL 48 Ca 0.00 -0.35 -0.16 0.00 -1.81 0.00 0.00 61.98 59.66 1d1r s VAL 48 Cb 0.00 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 1d1r s VAL 48 CO 0.00 -0.17 0.41 0.00 -0.31 0.00 0.00 175.10 175.03 1d1r s LEU 50 N 2.15 6.01 -0.21 0.00 0.20 -1.25 -2.16 118.68 123.42 1d1r s LEU 50 Ca 0.15 -2.02 -0.14 0.00 0.69 0.00 0.00 54.13 52.81 1d1r s LEU 50 Cb -0.16 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1d1r s LEU 50 CO 0.11 -0.73 0.32 -0.63 -0.29 0.00 0.00 176.35 175.14 1d1r s ILE 51 N 1.22 5.25 0.00 6.68 1.09 -0.61 -3.84 121.20 130.99 1d1r s ILE 51 Ca 0.07 0.55 0.00 0.00 -1.10 0.00 0.00 60.65 60.17 1d1r s ILE 51 Cb -0.25 -3.66 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 1d1r s ILE 51 CO -0.01 0.29 0.00 0.41 -0.10 0.00 0.00 174.94 175.54 1d1r n THR 52 N 4.22 0.00 -3.75 2.92 -1.04 -1.08 -1.46 114.28 114.09 1d1r n THR 52 Ca -0.10 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.67 1d1r n THR 52 Cb 0.51 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.04 1d1r n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d1r n GLY 53 N 0.00 -0.38 2.39 3.41 0.00 -1.26 -3.17 105.19 106.19 1d1r n GLY 53 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1d1r n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1d1r n VAL 54 N -4.26 2.68 -1.55 1.61 0.31 -1.26 -3.70 118.33 112.16 1d1r n VAL 54 Ca -0.27 -4.49 -0.17 0.00 -0.01 0.00 0.00 64.34 59.40 1d1r n VAL 54 Cb 0.67 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 32.28 1d1r n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1d1r n ASP 55 N -0.59 1.18 -3.75 4.52 2.03 -1.26 -4.82 116.55 113.86 1d1r n ASP 55 Ca 0.44 -1.21 -0.11 0.00 0.52 0.00 0.00 54.79 54.43 1d1r n ASP 55 Cb 0.69 -1.43 -0.07 0.00 -0.72 0.00 0.00 41.12 39.60 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 11.72 0.91 0.83 -2.67 1.43 -1.26 -4.94 118.68 124.70 1d1r s LEU 56 Ca 1.02 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1d1r s LEU 56 Cb -0.30 1.37 0.09 0.00 0.03 0.00 0.00 46.19 47.39 1d1r s LEU 56 CO 0.20 -0.69 1.16 -1.81 0.23 0.00 0.00 176.35 175.44 1d1r s ASP 57 N -2.39 3.60 1.20 2.29 1.01 -1.26 -4.83 116.67 116.29 1d1r s ASP 57 Ca -0.01 2.21 -0.17 0.00 0.71 0.00 0.00 52.55 55.29 1d1r s ASP 57 Cb 0.01 -2.57 0.24 0.00 1.01 0.00 0.00 42.92 41.61 1d1r s ASP 57 CO -0.07 -2.65 0.56 -0.67 0.21 0.00 0.00 175.17 172.55 1d1r n ASP 58 N -3.57 -2.57 0.00 0.27 -0.08 -1.26 -3.09 116.55 106.25 1d1r n ASP 58 Ca 0.12 -0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1d1r n ASP 58 Cb 0.51 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.92 1d1r n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1d1r n ALA 59 N -4.92 0.00 0.06 -1.67 0.00 -1.26 -4.68 120.51 108.04 1d1r n ALA 59 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1d1r n ALA 59 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1d1r n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1d1r h GLU 60 N 0.00 -0.21 -0.27 0.00 4.22 -1.90 -2.29 114.58 114.13 1d1r h GLU 60 Ca 0.00 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.53 1d1r h GLU 60 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1d1r h GLU 60 CO 0.00 -0.14 0.23 1.37 -2.18 0.00 0.00 179.01 178.29 1d1r h LEU 61 N -0.74 0.00 -0.55 1.64 8.10 -1.84 0.97 115.31 122.89 1d1r h LEU 61 Ca -0.02 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.81 1d1r h LEU 61 Cb 0.17 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.38 1d1r h LEU 61 CO 0.04 0.00 -0.66 0.71 -4.11 0.00 0.00 178.44 174.42 1d1r h THR 62 N 0.00 1.39 0.05 0.15 1.35 -1.90 -2.01 112.91 111.95 1d1r h THR 62 Ca 0.13 -2.08 -0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1d1r h THR 62 Cb 0.58 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1d1r h THR 62 CO -0.00 0.62 -0.03 0.11 -0.25 0.00 0.00 175.52 175.97 1d1r h LYS 63 N 0.20 -0.07 -0.30 4.72 1.57 -0.23 -1.94 116.57 120.52 1d1r h LYS 63 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1d1r h LYS 63 Cb 1.19 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1d1r h LYS 63 CO 0.11 0.53 0.07 -0.07 -0.57 0.00 0.00 179.45 179.51 1d1r h LEU 64 N -0.77 0.04 0.84 2.94 -0.00 -1.40 -1.64 115.31 115.32 1d1r h LEU 64 Ca -0.01 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1d1r h LEU 64 Cb 0.63 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1d1r h LEU 64 CO 0.01 0.06 -0.44 0.00 -0.00 0.00 0.00 178.44 178.06 1d1r h ALA 65 N 1.22 -1.30 -0.99 1.53 0.00 -1.44 -2.26 119.26 116.02 1d1r h ALA 65 Ca 0.14 -0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.14 1d1r h ALA 65 Cb 0.14 0.51 -0.16 0.00 0.00 0.00 0.00 17.79 18.28 1d1r h ALA 65 CO -0.17 -1.23 0.52 0.00 0.00 0.00 0.00 179.25 178.37 1d1r h ALA 66 N -1.36 1.94 0.22 0.00 0.00 -1.20 0.31 119.26 119.17 1d1r h ALA 66 Ca -0.11 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1d1r h ALA 66 Cb 0.92 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1d1r h ALA 66 CO 0.16 -0.68 -0.10 1.49 0.00 0.00 0.00 179.25 180.12 1d1r h GLU 67 N 0.21 -0.28 0.00 0.00 4.81 -0.79 -1.50 114.58 117.03 1d1r h GLU 67 Ca 0.75 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 60.00 1d1r h GLU 67 Cb 1.78 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.23 1d1r h GLU 67 CO -0.67 -0.16 -0.01 -0.07 -0.73 0.00 0.00 179.01 177.38 1d1r h LEU 68 N -0.33 0.00 -0.66 1.64 3.38 0.11 -1.71 115.31 117.74 1d1r h LEU 68 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1d1r h LEU 68 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1d1r h LEU 68 CO 0.05 0.01 0.08 0.50 0.09 0.00 0.00 178.44 179.17 1d1r h LYS 69 N 0.00 1.11 0.00 1.13 3.64 -0.10 -2.15 116.57 120.21 1d1r h LYS 69 Ca -0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1d1r h LYS 69 Cb 0.04 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1d1r h LYS 69 CO 0.00 1.03 -0.15 0.87 -2.27 0.00 0.00 179.45 178.93 1d1r h LYS 70 N 1.03 0.00 0.00 1.90 1.57 -1.21 -1.80 116.57 118.06 1d1r h LYS 70 Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1d1r h LYS 70 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1d1r h LYS 70 CO 0.02 0.15 -0.19 0.87 -0.57 0.00 0.00 179.45 179.72 1d1r h LYS 71 N 0.00 0.00 0.01 3.15 1.57 -1.36 -3.21 116.57 116.72 1d1r h LYS 71 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1d1r h LYS 71 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 1d1r h LYS 71 CO 0.02 0.19 -2.43 0.00 -0.57 0.00 0.00 179.45 176.66 1d1r n GLY 73 N 1.94 3.12 0.00 0.00 0.00 -0.71 -4.92 105.19 104.62 1d1r n GLY 73 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.76 3.70 0.00 0.00 -1.26 -5.10 105.19 103.28 1d1r n GLY 75 Ca 0.00 0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.49 1d1r n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d1r n GLY 76 N 0.00 0.79 3.65 -0.02 0.00 -1.26 -4.87 105.19 103.47 1d1r n GLY 76 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 46.02 46.67 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 3.76 3.17 0.11 4.61 0.00 -0.41 -4.86 121.76 128.14 1d1r s ALA 77 Ca 1.00 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1d1r s ALA 77 Cb -1.10 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1d1r s ALA 77 CO 0.66 0.66 0.18 0.08 0.00 0.00 0.00 175.76 177.35 1d1r s VAL 78 N -1.31 5.00 0.03 0.00 1.01 -1.26 -1.87 120.40 122.00 1d1r s VAL 78 Ca 0.24 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1d1r s VAL 78 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1d1r s VAL 78 CO 0.17 0.03 -0.04 -0.54 0.00 0.00 0.00 175.10 174.71 1d1r s LYS 79 N -2.78 0.44 -0.88 2.72 1.02 0.36 -4.95 119.74 115.67 1d1r s LYS 79 Ca 0.33 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 1d1r s LYS 79 Cb -0.12 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 1d1r s LYS 79 CO 0.26 -0.03 1.93 -0.51 -0.92 0.00 0.00 175.35 176.08 1d1r s ASP 80 N -1.78 5.17 0.00 2.83 1.11 -1.26 -1.98 116.67 120.76 1d1r s ASP 80 Ca -0.10 -0.59 0.00 0.00 0.18 0.00 0.00 52.55 52.04 1d1r s ASP 80 Cb -0.07 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1d1r s ASP 80 CO -0.02 -2.69 0.00 0.61 1.18 0.00 0.00 175.17 174.25 1d1r n GLY 81 N 6.74 0.69 3.07 0.21 0.00 -1.26 -5.07 105.19 109.56 1d1r n GLY 81 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.00 0.13 -0.04 1.61 1.01 -0.84 -4.62 120.40 115.66 1d1r s VAL 82 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1d1r s VAL 82 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1d1r s VAL 82 CO 0.00 -0.58 -0.01 -0.63 0.00 0.00 0.00 175.10 173.88 1d1r s ILE 83 N -2.18 0.30 -0.15 2.22 -1.09 -0.53 -0.49 121.20 119.29 1d1r s ILE 83 Ca -0.09 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1d1r s ILE 83 Cb -0.04 -0.38 0.00 0.00 -1.58 0.00 0.00 42.46 40.46 1d1r s ILE 83 CO -0.03 0.18 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.07 1d1r s GLU 84 N 1.03 3.16 -0.10 2.79 2.02 -0.78 -1.57 118.70 125.25 1d1r s GLU 84 Ca -0.10 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 1d1r s GLU 84 Cb -0.14 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.57 1d1r s GLU 84 CO -0.01 0.02 0.04 0.42 0.02 0.00 0.00 175.26 175.75 1d1r s ILE 85 N 0.78 0.18 0.72 -1.63 -1.09 -0.92 -1.29 121.20 117.95 1d1r s ILE 85 Ca -0.07 0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 1d1r s ILE 85 Cb -0.15 -0.51 0.03 0.00 -1.58 0.00 0.00 42.46 40.24 1d1r s ILE 85 CO 0.00 0.07 1.10 -1.10 -1.23 0.00 0.00 174.94 173.78 1d1r s GLN 86 N 2.04 2.52 0.00 2.79 -0.21 -1.26 -2.01 119.66 123.53 1d1r s GLN 86 Ca 0.04 1.28 0.00 0.00 0.02 0.00 0.00 55.36 56.69 1d1r s GLN 86 Cb -0.14 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1d1r s GLN 86 CO -0.06 -1.45 0.00 0.41 -2.12 0.00 0.00 175.29 172.07 1d1r n GLY 87 N -0.87 3.42 3.48 3.09 0.00 -1.26 -4.83 105.19 108.22 1d1r n GLY 87 Ca 0.10 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.40 -2.85 1.61 -0.08 -1.26 -4.94 116.55 105.63 1d1r n ASP 88 Ca 0.00 -0.74 -0.17 0.00 -1.51 0.00 0.00 54.79 52.37 1d1r n ASP 88 Cb 0.00 -4.69 -0.00 0.00 2.34 0.00 0.00 41.12 38.77 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 -3.92 1.64 -0.16 -0.67 5.02 -1.26 -4.90 118.16 113.90 1d1r n LYS 89 Ca -0.21 -3.65 0.29 0.00 -2.02 0.00 0.00 58.31 52.71 1d1r n LYS 89 Cb 0.65 -1.65 0.67 0.00 -0.02 0.00 0.00 35.03 34.68 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 2.94 0.00 0.83 1.97 0.11 -1.92 -0.10 114.38 118.21 1d1r h ARG 90 Ca 0.05 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.09 1d1r h ARG 90 Cb 1.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.08 1d1r h ARG 90 CO 0.58 0.00 -0.40 0.22 0.10 0.00 0.00 179.97 180.48 1d1r h ASP 91 N 0.00 -0.94 0.47 0.08 1.82 -1.96 -2.15 116.42 113.74 1d1r h ASP 91 Ca 0.43 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.09 1d1r h ASP 91 Cb 2.09 0.24 -0.00 0.00 0.68 0.00 0.00 39.33 42.35 1d1r h ASP 91 CO -0.00 -0.64 -0.02 0.25 -1.61 0.00 0.00 179.24 177.22 1d1r h LEU 92 N -1.17 0.00 0.20 2.28 6.46 -1.46 -2.85 115.31 118.77 1d1r h LEU 92 Ca -0.11 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1d1r h LEU 92 Cb 0.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1d1r h LEU 92 CO 0.19 0.02 -0.10 -0.07 -0.62 0.00 0.00 178.44 177.86 1d1r h LEU 93 N 0.00 -0.23 -2.51 2.25 -0.00 -0.75 -2.19 115.31 111.88 1d1r h LEU 93 Ca -0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1d1r h LEU 93 Cb 0.26 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1d1r h LEU 93 CO 0.00 0.09 0.00 0.50 -0.00 0.00 0.00 178.44 179.03 1d1r h LYS 94 N -0.56 0.00 0.16 1.13 3.11 -1.18 -1.51 116.57 117.73 1d1r h LYS 94 Ca -0.03 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1d1r h LYS 94 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1d1r h LYS 94 CO 0.05 0.00 -0.08 1.03 -2.81 0.00 0.00 179.45 177.64 1d1r h SER 95 N 0.00 -0.18 0.29 4.20 0.87 -1.33 -2.31 113.55 115.09 1d1r h SER 95 Ca 0.00 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 1d1r h SER 95 Cb 0.14 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1d1r h SER 95 CO 0.00 0.38 -0.19 0.17 -0.53 0.00 0.00 176.83 176.66 1d1r h LEU 96 N -0.91 0.00 0.10 2.23 8.10 -1.15 -1.19 115.31 122.49 1d1r h LEU 96 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1d1r h LEU 96 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1d1r h LEU 96 CO 0.04 0.19 -0.05 -0.07 -4.11 0.00 0.00 178.44 174.44 1d1r h LEU 97 N 0.00 -0.12 -0.99 0.17 -0.00 -1.30 -2.84 115.31 110.24 1d1r h LEU 97 Ca -0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1d1r h LEU 97 Cb 0.39 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1d1r h LEU 97 CO 0.02 0.29 0.00 -0.33 -0.00 0.00 0.00 178.44 178.42 1d1r h GLU 98 N -0.54 0.00 0.00 1.13 5.08 -1.21 -2.46 114.58 116.58 1d1r h GLU 98 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1d1r h GLU 98 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1d1r h GLU 98 CO 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.99 1d1r h ALA 99 N 2.17 1.05 0.00 3.43 0.00 -0.96 -2.38 119.26 122.57 1d1r h ALA 99 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d1r h ALA 99 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1d1r h ALA 99 CO 0.00 0.06 -1.64 1.63 0.00 0.00 0.00 179.25 179.30 1d1r n LYS 100 N -3.22 0.47 0.00 0.00 5.02 -0.93 -4.96 118.16 114.54 1d1r n LYS 100 Ca -0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1d1r n LYS 100 Cb 0.26 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.32 0.61 3.76 0.72 0.00 -0.90 -5.06 105.19 105.64 1d1r n GLY 101 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.82 3.60 -0.88 1.61 -1.94 -1.22 -4.92 119.30 114.73 1d1r s MET 102 Ca 0.00 2.01 -0.21 0.00 -1.71 0.00 0.00 55.69 55.78 1d1r s MET 102 Cb 0.00 -2.43 0.09 0.00 2.01 0.00 0.00 34.83 34.50 1d1r s MET 102 CO 0.00 -0.75 1.17 0.15 -0.01 0.00 0.00 175.02 175.58 1d1r s LYS 103 N -2.67 3.47 0.22 2.03 1.02 -1.22 -4.29 119.74 118.29 1d1r s LYS 103 Ca 0.65 -1.33 -0.13 0.00 0.02 0.00 0.00 55.97 55.18 1d1r s LYS 103 Cb -0.34 -4.82 -0.08 0.00 -0.52 0.00 0.00 37.83 32.07 1d1r s LYS 103 CO 0.42 -1.90 0.61 0.54 -0.92 0.00 0.00 175.35 174.10 1d1r s VAL 104 N 3.68 4.81 -0.28 3.17 0.11 -1.26 -3.57 120.40 127.07 1d1r s VAL 104 Ca 0.33 0.78 -0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1d1r s VAL 104 Cb -0.07 -3.68 0.05 0.00 -1.53 0.00 0.00 36.38 31.15 1d1r s VAL 104 CO -0.04 0.03 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.18 1d1r s LYS 105 N -2.49 2.49 0.00 1.54 1.02 -0.85 -4.98 119.74 116.47 1d1r s LYS 105 Ca 0.45 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1d1r s LYS 105 Cb -0.13 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1d1r s LYS 105 CO 0.20 -0.55 0.27 1.28 -0.92 0.00 0.00 175.35 175.63 1d1r n LEU 106 N 4.58 0.00 0.00 3.17 4.77 -1.26 -3.54 117.00 124.72 1d1r n LEU 106 Ca -0.14 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1d1r n LEU 106 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1d1r n LEU 106 CO 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.31 1d1r n ALA 107 N -1.84 0.00 0.00 -1.18 0.00 -1.26 -4.07 120.51 112.15 1d1r n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1d1r n ALA 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.45 0.00 0.00 0.00 -1.26 -5.10 105.19 99.27 1d1r n GLY 108 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 2.95 2.31 -0.02 0.00 -1.26 -5.15 105.19 104.03 1d1r n GLY 109 Ca 0.00 -1.97 0.01 0.00 0.00 0.00 0.00 46.02 44.06 1d1r n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d1r n LEU 110 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.34 117.00 116.16 1d1r n LEU 110 Ca 0.00 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1d1r n LEU 110 Cb 0.00 1.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.24 1d1r n LEU 110 CO 0.00 -0.10 0.00 -0.62 -1.33 0.00 0.00 177.39 175.34