#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 1.25 -0.01 0.72 0.00 -1.26 -4.79 107.32 103.24 1d1r s GLY 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1d1r s GLY 30 CO 0.00 2.59 -0.00 1.34 0.00 0.00 0.00 173.10 177.02 1d1r n ASP 31 N 8.12 4.27 -3.54 1.64 2.03 -1.26 -5.08 116.55 122.73 1d1r n ASP 31 Ca 0.14 -0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.28 1d1r n ASP 31 Cb 0.48 0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 41.03 1d1r n ASP 31 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1d1r s GLY 32 N -3.69 -0.56 0.03 0.27 0.00 -1.26 -4.93 107.32 97.18 1d1r s GLY 32 Ca -0.01 1.48 0.04 0.00 0.00 0.00 0.00 44.72 46.23 1d1r s GLY 32 CO 0.03 1.11 -0.12 -1.34 0.00 0.00 0.00 173.10 172.79 1d1r s VAL 33 N -0.89 0.93 0.33 1.40 -7.23 -1.26 -3.13 120.40 110.55 1d1r s VAL 33 Ca -0.09 -0.90 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 1d1r s VAL 33 Cb -0.01 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1d1r s VAL 33 CO 0.08 -0.03 0.14 -0.69 -0.31 0.00 0.00 175.10 174.30 1d1r s VAL 34 N -0.82 3.10 -0.15 1.32 1.01 -1.16 -3.61 120.40 120.09 1d1r s VAL 34 Ca 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.25 1d1r s VAL 34 Cb -0.07 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.38 1d1r s VAL 34 CO 0.01 -0.20 0.12 -0.60 0.00 0.00 0.00 175.10 174.44 1d1r s ARG 35 N -3.84 0.07 -0.17 2.72 3.52 -1.26 -2.41 118.95 117.58 1d1r s ARG 35 Ca 0.37 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1d1r s ARG 35 Cb -0.03 -1.36 0.03 0.00 -1.56 0.00 0.00 34.95 32.03 1d1r s ARG 35 CO 0.23 -0.59 -0.10 0.42 -0.81 0.00 0.00 175.30 174.45 1d1r s ILE 36 N 2.20 1.46 -0.31 4.11 1.01 -1.26 -3.94 121.20 124.48 1d1r s ILE 36 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1d1r s ILE 36 Cb -0.15 -1.49 0.14 0.00 0.01 0.00 0.00 42.46 40.97 1d1r s ILE 36 CO -0.09 0.28 0.32 0.00 0.00 0.00 0.00 174.94 175.45 1d1r s GLN 37 N 1.50 0.39 0.07 2.79 -2.07 -1.26 -4.10 119.66 116.98 1d1r s GLN 37 Ca 0.02 -0.26 -0.33 0.00 -1.82 0.00 0.00 55.36 52.97 1d1r s GLN 37 Cb -0.14 -0.64 -0.12 0.00 -1.09 0.00 0.00 33.01 31.01 1d1r s GLN 37 CO -0.09 -1.06 1.74 2.89 -1.32 0.00 0.00 175.29 177.45 1d1r n ARG 38 N 5.11 2.33 -3.61 9.60 1.85 -1.26 -4.42 116.66 126.26 1d1r n ARG 38 Ca 0.01 0.85 -0.36 0.00 -1.00 0.00 0.00 57.85 57.35 1d1r n ARG 38 Cb 0.46 -2.67 -0.06 0.00 -1.05 0.00 0.00 32.46 29.14 1d1r n ARG 38 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1d1r n GLN 39 N 5.00 2.70 -1.50 2.89 7.27 -1.17 -4.95 117.38 127.62 1d1r n GLN 39 Ca 0.19 -4.49 -0.38 0.00 0.07 0.00 0.00 57.00 52.38 1d1r n GLN 39 Cb 0.31 -2.41 0.04 0.00 2.41 0.00 0.00 30.24 30.59 1d1r n GLN 39 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1d1r n THR 40 N 2.17 2.52 0.62 1.69 -2.24 -1.26 -4.59 114.28 113.19 1d1r n THR 40 Ca 0.22 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1d1r n THR 40 Cb 0.37 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.30 0.83 -4.18 3.42 2.88 -1.26 -4.98 113.62 110.63 1d1r n SER 41 Ca 0.12 -0.68 -0.11 0.00 -1.33 0.00 0.00 58.87 56.87 1d1r n SER 41 Cb 0.46 1.21 -0.10 0.00 -0.75 0.00 0.00 64.21 65.04 1d1r n SER 41 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1d1r s GLY 42 N -3.03 0.83 0.01 0.46 0.00 -1.26 -5.09 107.32 99.23 1d1r s GLY 42 Ca 0.03 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 1d1r s GLY 42 CO 0.73 -1.47 1.93 0.50 0.00 0.00 0.00 173.10 174.79 1d1r s ARG 43 N -3.83 4.08 0.70 2.90 0.52 -1.26 -4.69 118.95 117.37 1d1r s ARG 43 Ca 0.13 2.50 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1d1r s ARG 43 Cb 0.05 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1d1r s ARG 43 CO -0.04 -1.01 0.00 1.17 0.02 0.00 0.00 175.30 175.44 1d1r n LYS 44 N 7.55 -1.20 0.00 3.54 4.81 -1.26 -4.96 118.16 126.65 1d1r n LYS 44 Ca 0.20 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1d1r n LYS 44 Cb 0.42 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.00 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 -1.83 0.65 3.92 3.14 0.00 -1.26 -4.94 105.19 104.85 1d1r n GLY 45 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 1d1r n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d1r s LYS 46 N 0.00 3.35 0.02 1.61 2.20 -1.26 -5.10 119.74 120.56 1d1r s LYS 46 Ca 0.00 0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.58 1d1r s LYS 46 Cb 0.00 -2.39 -0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1d1r s LYS 46 CO 0.00 -0.29 0.13 0.20 -0.36 0.00 0.00 175.35 175.03 1d1r s GLY 47 N -4.16 0.09 0.38 5.54 0.00 -1.26 -4.63 107.32 103.29 1d1r s GLY 47 Ca 0.48 -0.31 0.08 0.00 0.00 0.00 0.00 44.72 44.97 1d1r s GLY 47 CO 0.43 -0.45 0.36 -1.34 0.00 0.00 0.00 173.10 172.10 1d1r s VAL 48 N -2.04 3.07 -0.19 1.40 -7.23 -1.26 -3.78 120.40 110.37 1d1r s VAL 48 Ca -0.10 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1d1r s VAL 48 Cb -0.04 -3.08 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1d1r s VAL 48 CO -0.02 -0.07 -0.04 0.00 -0.31 0.00 0.00 175.10 174.66 1d1r s LEU 50 N 1.60 4.38 -0.24 0.00 1.02 -1.26 -1.82 118.68 122.35 1d1r s LEU 50 Ca -0.01 1.19 0.00 0.00 0.02 0.00 0.00 54.13 55.33 1d1r s LEU 50 Cb -0.16 -3.26 0.07 0.00 0.02 0.00 0.00 46.19 42.85 1d1r s LEU 50 CO -0.07 0.12 -0.02 -0.63 0.02 0.00 0.00 176.35 175.77 1d1r s ILE 51 N -1.40 1.35 0.04 -0.59 -1.09 -0.30 -4.22 121.20 115.00 1d1r s ILE 51 Ca 0.37 -1.21 -0.21 0.00 -2.23 0.00 0.00 60.65 57.37 1d1r s ILE 51 Cb -0.16 -1.72 0.05 0.00 -1.58 0.00 0.00 42.46 39.04 1d1r s ILE 51 CO 0.20 -0.21 0.48 0.28 -1.23 0.00 0.00 174.94 174.45 1d1r s THR 52 N 1.46 0.04 0.00 2.92 -1.32 -1.25 -2.03 115.64 115.45 1d1r s THR 52 Ca -0.02 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1d1r s THR 52 Cb -0.18 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1d1r s THR 52 CO -0.09 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 1d1r n GLY 53 N 0.46 1.19 3.35 6.08 0.00 -1.26 -4.00 105.19 111.02 1d1r n GLY 53 Ca -0.18 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.06 0.10 -2.75 1.61 0.31 -1.24 -4.76 118.33 111.54 1d1r n VAL 54 Ca 0.00 -0.14 -0.43 0.00 -0.01 0.00 0.00 64.34 63.76 1d1r n VAL 54 Cb 0.00 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1d1r n VAL 54 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1d1r n ASP 55 N 8.79 5.26 -2.43 4.52 9.92 -1.26 -4.96 116.55 136.39 1d1r n ASP 55 Ca 0.48 -3.05 -0.04 0.00 -0.53 0.00 0.00 54.79 51.64 1d1r n ASP 55 Cb 0.10 -1.51 -0.00 0.00 -0.64 0.00 0.00 41.12 39.07 1d1r n ASP 55 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1d1r n LEU 56 N 4.59 0.00 0.00 0.64 7.99 -1.26 -4.78 117.00 124.18 1d1r n LEU 56 Ca 0.37 -0.47 -0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1d1r n LEU 56 Cb 0.40 0.02 -0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1d1r n LEU 56 CO 0.69 -0.21 0.19 -0.78 -1.51 0.00 0.00 177.39 175.77 1d1r h ASP 57 N 0.14 -0.01 0.00 -1.43 3.58 -1.99 -3.49 116.42 113.22 1d1r h ASP 57 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1d1r h ASP 57 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1d1r h ASP 57 CO 0.10 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.79 1d1r n ASP 58 N -2.09 0.00 0.09 2.28 2.03 -1.26 -4.95 116.55 112.65 1d1r n ASP 58 Ca -0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1d1r n ASP 58 Cb 0.01 0.01 -0.01 0.00 -0.72 0.00 0.00 41.12 40.40 1d1r n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d1r h ALA 59 N 0.00 0.57 -0.48 -1.67 0.00 -2.01 -3.25 119.26 112.42 1d1r h ALA 59 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 54.16 1d1r h ALA 59 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1d1r h ALA 59 CO 0.00 1.04 0.29 0.93 0.00 0.00 0.00 179.25 181.51 1d1r h GLU 60 N 0.02 0.57 -0.30 0.00 4.39 -1.96 -1.86 114.58 115.44 1d1r h GLU 60 Ca -0.02 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1d1r h GLU 60 Cb 1.52 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.96 1d1r h GLU 60 CO 0.12 0.38 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.04 1d1r h LEU 61 N 0.59 -0.76 -0.95 1.33 4.07 -1.95 0.33 115.31 117.97 1d1r h LEU 61 Ca 0.19 0.15 0.06 0.00 0.08 0.00 0.00 57.88 58.35 1d1r h LEU 61 Cb -0.00 0.37 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 1d1r h LEU 61 CO -0.08 -0.26 0.61 0.71 -1.08 0.00 0.00 178.44 178.34 1d1r h THR 62 N -0.21 1.09 -0.64 0.22 1.35 -1.57 -1.56 112.91 111.59 1d1r h THR 62 Ca 0.16 -0.39 0.09 0.00 -0.55 0.00 0.00 66.41 65.72 1d1r h THR 62 Cb 0.45 -0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 66.67 1d1r h THR 62 CO -0.42 0.21 0.28 0.50 -0.25 0.00 0.00 175.52 175.83 1d1r h LYS 63 N 1.12 0.48 -0.30 4.72 3.64 -0.15 -1.68 116.57 124.41 1d1r h LYS 63 Ca 0.40 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1d1r h LYS 63 Cb 0.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1d1r h LYS 63 CO -0.16 0.32 0.09 1.25 -2.27 0.00 0.00 179.45 178.68 1d1r h LEU 64 N 0.50 0.44 -0.82 5.20 7.12 -0.40 -1.99 115.31 125.35 1d1r h LEU 64 Ca 0.31 -0.20 0.18 0.00 0.13 0.00 0.00 57.88 58.30 1d1r h LEU 64 Cb 0.35 -0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.25 1d1r h LEU 64 CO -0.27 0.53 0.32 0.00 -0.13 0.00 0.00 178.44 178.88 1d1r h ALA 65 N 0.93 1.20 -0.25 1.25 0.00 -0.67 0.22 119.26 121.94 1d1r h ALA 65 Ca 0.10 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1d1r h ALA 65 Cb 0.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1d1r h ALA 65 CO -0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 179.25 178.58 1d1r h ALA 66 N 1.62 0.85 0.00 0.00 0.00 -1.10 -2.20 119.26 118.44 1d1r h ALA 66 Ca 0.47 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1d1r h ALA 66 Cb 0.81 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1d1r h ALA 66 CO -0.47 0.64 -0.04 0.93 0.00 0.00 0.00 179.25 180.31 1d1r h GLU 67 N 0.48 0.00 0.09 0.00 5.08 0.14 -2.10 114.58 118.27 1d1r h GLU 67 Ca 0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 1d1r h GLU 67 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1d1r h GLU 67 CO 0.08 0.04 -1.44 -0.07 -1.00 0.00 0.00 179.01 176.62 1d1r h LEU 68 N 0.00 0.31 -2.10 1.33 3.38 -0.75 -3.33 115.31 114.14 1d1r h LEU 68 Ca -0.00 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 1d1r h LEU 68 Cb 0.31 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1d1r h LEU 68 CO 0.01 1.62 -0.06 0.50 0.09 0.00 0.00 178.44 180.59 1d1r h LYS 69 N -0.39 0.00 0.00 1.13 3.64 -1.22 -0.96 116.57 118.76 1d1r h LYS 69 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1d1r h LYS 69 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1d1r h LYS 69 CO 0.01 0.06 0.00 -0.22 -2.27 0.00 0.00 179.45 177.04 1d1r h LYS 70 N 0.00 0.00 0.00 1.90 1.63 -1.50 -3.04 116.57 115.56 1d1r h LYS 70 Ca -0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1d1r h LYS 70 Cb 0.28 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.80 1d1r h LYS 70 CO 0.01 0.00 -0.48 1.63 -3.45 0.00 0.00 179.45 177.16 1d1r n LYS 71 N -2.37 0.00 -0.04 1.90 5.02 -0.72 -4.87 118.16 117.09 1d1r n LYS 71 Ca -0.01 -1.00 0.01 0.00 -2.02 0.00 0.00 58.31 55.29 1d1r n LYS 71 Cb 0.08 -0.11 -0.12 0.00 -0.02 0.00 0.00 35.03 34.86 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 1.82 1.08 0.00 0.00 0.00 -1.25 -4.95 105.19 101.88 1d1r n GLY 73 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.14 0.06 0.00 0.00 0.00 -1.26 -4.80 105.19 99.04 1d1r n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.42 1.36 3.60 -0.02 0.00 -1.26 -4.42 105.19 105.87 1d1r n GLY 76 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.97 3.25 -0.32 4.61 0.00 -1.14 -5.03 121.76 121.16 1d1r s ALA 77 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1d1r s ALA 77 Cb 0.00 -1.73 0.11 0.00 0.00 0.00 0.00 23.12 21.50 1d1r s ALA 77 CO 0.00 0.25 0.14 0.08 0.00 0.00 0.00 175.76 176.24 1d1r s VAL 78 N 0.18 0.42 0.01 0.00 1.01 -1.26 -1.88 120.40 118.88 1d1r s VAL 78 Ca 0.02 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1d1r s VAL 78 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1d1r s VAL 78 CO 0.01 -0.77 0.14 -0.54 0.00 0.00 0.00 175.10 173.94 1d1r s LYS 79 N 1.60 3.24 -0.70 2.72 -0.14 -0.49 -5.00 119.74 120.99 1d1r s LYS 79 Ca 0.12 -0.43 -0.26 0.00 -1.36 0.00 0.00 55.97 54.03 1d1r s LYS 79 Cb -0.18 -2.96 -0.08 0.00 -1.68 0.00 0.00 37.83 32.92 1d1r s LYS 79 CO -0.23 0.65 2.25 0.34 -0.76 0.00 0.00 175.35 177.59 1d1r s ASP 80 N -1.97 4.47 0.00 2.83 -1.08 -1.26 -1.37 116.67 118.28 1d1r s ASP 80 Ca 0.27 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.56 1d1r s ASP 80 Cb -0.12 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1d1r s ASP 80 CO 0.18 -3.17 0.00 0.61 0.52 0.00 0.00 175.17 173.31 1d1r n GLY 81 N 6.42 1.22 3.13 2.66 0.00 -1.26 -5.10 105.19 112.26 1d1r n GLY 81 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1d1r n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d1r s VAL 82 N -0.71 0.16 -0.01 1.61 -7.23 -0.47 -4.71 120.40 109.04 1d1r s VAL 82 Ca 0.00 -1.32 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1d1r s VAL 82 Cb 0.00 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1d1r s VAL 82 CO 0.00 -0.73 0.11 -0.63 -0.31 0.00 0.00 175.10 173.54 1d1r s ILE 83 N -3.34 0.06 -0.08 -0.62 1.09 -0.86 -1.39 121.20 116.06 1d1r s ILE 83 Ca 0.01 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1d1r s ILE 83 Cb 0.03 -0.33 0.02 0.00 -1.06 0.00 0.00 42.46 41.12 1d1r s ILE 83 CO -0.08 -0.27 -0.09 -1.61 -0.10 0.00 0.00 174.94 172.79 1d1r s GLU 84 N -0.93 1.44 0.22 2.79 2.02 -0.79 -1.15 118.70 122.31 1d1r s GLU 84 Ca -0.10 -0.28 0.10 0.00 0.02 0.00 0.00 54.97 54.70 1d1r s GLU 84 Cb -0.06 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 1d1r s GLU 84 CO 0.01 -0.11 -0.08 0.42 0.02 0.00 0.00 175.26 175.52 1d1r s ILE 85 N 1.13 3.18 -0.67 -1.63 -1.09 -0.76 -2.89 121.20 118.48 1d1r s ILE 85 Ca -0.06 -1.85 0.01 0.00 -2.23 0.00 0.00 60.65 56.51 1d1r s ILE 85 Cb -0.14 -2.64 0.17 0.00 -1.58 0.00 0.00 42.46 38.27 1d1r s ILE 85 CO -0.01 -0.24 0.47 -1.10 -1.23 0.00 0.00 174.94 172.82 1d1r s GLN 86 N -3.23 2.52 0.15 2.79 -0.21 -1.26 -1.88 119.66 118.55 1d1r s GLN 86 Ca 0.28 -2.89 -0.25 0.00 0.02 0.00 0.00 55.36 52.52 1d1r s GLN 86 Cb -0.07 -3.59 0.06 0.00 1.00 0.00 0.00 33.01 30.41 1d1r s GLN 86 CO 0.17 -1.20 0.85 0.20 -2.12 0.00 0.00 175.29 173.19 1d1r s GLY 87 N -0.24 -0.29 -0.44 3.09 0.00 -1.25 -5.00 107.32 103.19 1d1r s GLY 87 Ca 0.21 0.24 0.05 0.00 0.00 0.00 0.00 44.72 45.22 1d1r s GLY 87 CO -0.07 0.06 1.14 1.22 0.00 0.00 0.00 173.10 175.46 1d1r n ASP 88 N -0.41 4.81 -2.11 1.64 9.92 -1.26 -4.30 116.55 124.85 1d1r n ASP 88 Ca -0.07 -3.73 -0.27 0.00 -0.53 0.00 0.00 54.79 50.19 1d1r n ASP 88 Cb 0.61 -0.47 0.10 0.00 -0.64 0.00 0.00 41.12 40.72 1d1r n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1d1r n LYS 89 N -0.50 2.68 -0.35 -1.24 5.02 -1.26 -4.70 118.16 117.80 1d1r n LYS 89 Ca 0.40 -3.40 0.26 0.00 -2.02 0.00 0.00 58.31 53.55 1d1r n LYS 89 Cb 0.67 -2.21 0.53 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.74 0.31 0.24 1.97 2.43 -1.99 0.12 114.38 119.19 1d1r h ARG 90 Ca 0.52 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1d1r h ARG 90 Cb 1.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1d1r h ARG 90 CO 1.20 0.21 -0.20 0.22 -1.51 0.00 0.00 179.97 179.89 1d1r h ASP 91 N 0.32 -0.52 0.54 -3.80 3.58 -2.01 -0.55 116.42 113.98 1d1r h ASP 91 Ca 0.67 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.16 1d1r h ASP 91 Cb 1.77 0.17 0.00 0.00 1.72 0.00 0.00 39.33 43.00 1d1r h ASP 91 CO -0.37 -0.30 0.00 0.25 -2.88 0.00 0.00 179.24 175.94 1d1r h LEU 92 N -0.45 0.00 -0.11 2.28 5.85 -1.21 -2.66 115.31 119.01 1d1r h LEU 92 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1d1r h LEU 92 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1d1r h LEU 92 CO -0.02 0.00 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.65 1d1r h LEU 93 N 0.00 0.50 -1.17 2.25 3.38 0.22 -2.33 115.31 118.16 1d1r h LEU 93 Ca 0.00 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 1d1r h LEU 93 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1d1r h LEU 93 CO 0.00 1.02 -0.20 0.50 0.09 0.00 0.00 178.44 179.85 1d1r h LYS 94 N 0.01 0.33 0.46 1.13 3.64 -1.02 -1.78 116.57 119.34 1d1r h LYS 94 Ca -0.01 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1d1r h LYS 94 Cb 0.98 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1d1r h LYS 94 CO 0.08 0.52 -0.22 1.03 -2.27 0.00 0.00 179.45 178.58 1d1r h SER 95 N 0.30 -0.53 -0.86 4.20 0.87 -1.47 -2.10 113.55 113.95 1d1r h SER 95 Ca 0.05 0.02 0.23 0.00 -1.23 0.00 0.00 61.79 60.86 1d1r h SER 95 Cb 0.53 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1d1r h SER 95 CO 0.04 -0.24 0.60 0.17 -0.53 0.00 0.00 176.83 176.87 1d1r h LEU 96 N -0.90 0.13 -0.20 2.23 8.10 -1.43 0.62 115.31 123.86 1d1r h LEU 96 Ca -0.06 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.92 1d1r h LEU 96 Cb 0.48 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.68 1d1r h LEU 96 CO 0.10 0.05 0.03 0.25 -4.11 0.00 0.00 178.44 174.77 1d1r h LEU 97 N 0.13 0.32 -0.69 0.17 7.12 -1.19 -2.09 115.31 119.08 1d1r h LEU 97 Ca 0.42 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1d1r h LEU 97 Cb 1.48 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.52 1d1r h LEU 97 CO -0.06 0.50 0.00 1.21 -0.13 0.00 0.00 178.44 179.96 1d1r n GLU 98 N -4.74 0.17 0.10 1.25 2.13 0.12 -1.90 120.64 117.78 1d1r n GLU 98 Ca -0.04 0.43 0.12 0.00 0.66 0.00 0.00 57.16 58.32 1d1r n GLU 98 Cb 0.19 -1.85 0.46 0.00 0.27 0.00 0.00 31.44 30.51 1d1r n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d1r n ALA 99 N -1.75 1.88 -0.10 4.31 0.00 -0.67 -3.04 120.51 121.13 1d1r n ALA 99 Ca 0.02 0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1d1r n ALA 99 Cb 0.21 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 1d1r n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1d1r n LYS 100 N -2.13 0.73 0.00 0.00 4.01 -0.80 -5.00 118.16 114.99 1d1r n LYS 100 Ca 0.04 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1d1r n LYS 100 Cb 0.29 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.30 1d1r n LYS 100 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1d1r n GLY 101 N 1.84 1.03 3.89 0.72 0.00 -1.17 -5.09 105.19 106.41 1d1r n GLY 101 Ca -0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.41 3.68 -0.75 1.61 -1.94 -1.25 -4.99 119.30 115.26 1d1r s MET 102 Ca 0.00 0.27 -0.23 0.00 -1.71 0.00 0.00 55.69 54.02 1d1r s MET 102 Cb 0.00 -2.46 0.07 0.00 2.01 0.00 0.00 34.83 34.45 1d1r s MET 102 CO 0.00 -0.01 1.09 0.15 -0.01 0.00 0.00 175.02 176.24 1d1r s LYS 103 N -4.00 3.24 0.23 2.03 1.02 -1.18 -4.76 119.74 116.32 1d1r s LYS 103 Ca 0.48 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 55.30 1d1r s LYS 103 Cb -0.10 -4.42 -0.09 0.00 -0.52 0.00 0.00 37.83 32.70 1d1r s LYS 103 CO 0.34 -1.90 0.88 0.54 -0.92 0.00 0.00 175.35 174.29 1d1r s VAL 104 N 4.23 4.19 -0.87 3.17 0.11 -1.26 -2.98 120.40 126.99 1d1r s VAL 104 Ca 0.28 1.92 -0.00 0.00 -2.93 0.00 0.00 61.98 61.24 1d1r s VAL 104 Cb -0.12 -4.22 0.23 0.00 -1.53 0.00 0.00 36.38 30.74 1d1r s VAL 104 CO 0.06 0.46 0.84 1.17 -3.33 0.00 0.00 175.10 174.30 1d1r n LYS 105 N 1.39 2.79 -1.52 1.54 0.00 -1.01 -4.96 118.16 116.39 1d1r n LYS 105 Ca -0.03 -4.52 -0.32 0.00 0.00 0.00 0.00 58.31 53.44 1d1r n LYS 105 Cb 0.48 -2.39 -0.13 0.00 0.00 0.00 0.00 35.03 32.98 1d1r n LYS 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1d1r n LEU 106 N 1.94 0.47 -4.43 3.14 4.32 -1.26 -4.56 117.00 116.62 1d1r n LEU 106 Ca 0.23 -0.34 -0.44 0.00 -0.02 0.00 0.00 56.01 55.45 1d1r n LEU 106 Cb 0.37 -1.05 -0.04 0.00 -1.62 0.00 0.00 43.42 41.08 1d1r n LEU 106 CO 0.41 -1.30 0.72 0.00 -1.22 0.00 0.00 177.39 176.00 1d1r s ALA 107 N 8.23 3.26 -0.23 -1.18 0.00 -1.26 -4.94 121.76 125.64 1d1r s ALA 107 Ca 1.22 -2.19 -0.37 0.00 0.00 0.00 0.00 51.96 50.62 1d1r s ALA 107 Cb -0.80 -3.82 0.15 0.00 0.00 0.00 0.00 23.12 18.65 1d1r s ALA 107 CO 0.41 -2.72 1.36 0.20 0.00 0.00 0.00 175.76 175.01 1d1r s GLY 108 N 3.63 -0.27 0.26 0.00 0.00 -1.26 -4.64 107.32 105.04 1d1r s GLY 108 Ca 0.22 1.67 -0.19 0.00 0.00 0.00 0.00 44.72 46.42 1d1r s GLY 108 CO 0.04 0.53 0.64 -0.32 0.00 0.00 0.00 173.10 173.99 1d1r s GLY 109 N -2.23 0.01 -0.75 0.20 0.00 -1.26 -5.09 107.32 98.19 1d1r s GLY 109 Ca 0.12 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.21 1d1r s GLY 109 CO -0.03 -0.21 1.23 -2.27 0.00 0.00 0.00 173.10 171.82 1d1r s LEU 110 N -2.93 3.46 0.00 0.66 1.98 -1.26 -5.26 118.68 115.33 1d1r s LEU 110 Ca 0.13 -0.68 0.05 0.00 -2.89 0.00 0.00 54.13 50.75 1d1r s LEU 110 Cb -0.04 -2.53 0.04 0.00 0.66 0.00 0.00 46.19 44.32 1d1r s LEU 110 CO 0.05 -1.72 0.67 -0.62 -1.89 0.00 0.00 176.35 172.85