#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 -0.64 2.61 0.72 0.00 -1.26 -4.87 105.19 101.75 1d1r n GLY 30 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.34 3.14 -0.04 1.61 -1.08 -1.26 -5.08 116.67 108.61 1d1r s ASP 31 Ca -0.18 -2.78 -0.01 0.00 -0.52 0.00 0.00 52.55 49.06 1d1r s ASP 31 Cb 0.02 -0.84 0.03 0.00 -1.46 0.00 0.00 42.92 40.68 1d1r s ASP 31 CO 0.27 -0.23 0.03 -0.83 0.52 0.00 0.00 175.17 174.93 1d1r s GLY 32 N 0.22 0.25 -0.26 2.66 0.00 -1.26 -4.78 107.32 104.15 1d1r s GLY 32 Ca 0.22 0.14 -0.02 0.00 0.00 0.00 0.00 44.72 45.06 1d1r s GLY 32 CO -0.06 1.08 0.28 0.14 0.00 0.00 0.00 173.10 174.53 1d1r s VAL 33 N 1.74 -0.40 0.21 1.40 1.01 -1.26 -1.80 120.40 121.30 1d1r s VAL 33 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1d1r s VAL 33 Cb -0.13 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 1d1r s VAL 33 CO -0.03 -0.35 0.49 -0.69 0.00 0.00 0.00 175.10 174.52 1d1r s VAL 34 N 2.37 5.04 -0.23 2.92 1.01 -0.90 -3.47 120.40 127.14 1d1r s VAL 34 Ca 0.09 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1d1r s VAL 34 Cb -0.15 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1d1r s VAL 34 CO -0.24 -0.09 -0.11 -0.60 0.00 0.00 0.00 175.10 174.06 1d1r s ARG 35 N -2.93 2.20 -0.20 2.72 3.52 -1.06 -3.03 118.95 120.17 1d1r s ARG 35 Ca 0.44 -1.11 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1d1r s ARG 35 Cb -0.11 -2.70 0.04 0.00 -1.56 0.00 0.00 34.95 30.62 1d1r s ARG 35 CO 0.24 -0.49 -0.11 0.42 -0.81 0.00 0.00 175.30 174.55 1d1r s ILE 36 N 1.24 1.74 0.00 4.11 1.09 -1.26 -2.90 121.20 125.21 1d1r s ILE 36 Ca -0.05 -1.08 0.00 0.00 -1.10 0.00 0.00 60.65 58.42 1d1r s ILE 36 Cb -0.18 -1.80 0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1d1r s ILE 36 CO -0.07 0.18 0.00 0.00 -0.10 0.00 0.00 174.94 174.95 1d1r n GLN 37 N 4.65 0.00 -5.03 2.79 10.64 -1.26 -4.31 117.38 124.86 1d1r n GLN 37 Ca -0.15 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.74 1d1r n GLN 37 Cb 0.46 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.69 1d1r n GLN 37 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1d1r s ARG 38 N 0.36 1.77 -0.67 2.61 0.52 -1.26 -3.26 118.95 119.02 1d1r s ARG 38 Ca 0.00 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.50 1d1r s ARG 38 Cb 0.00 -1.68 0.33 0.00 0.52 0.00 0.00 34.95 34.13 1d1r s ARG 38 CO 0.00 0.43 1.12 0.94 0.02 0.00 0.00 175.30 177.81 1d1r n GLN 39 N 2.65 3.67 -1.77 3.54 7.27 -1.07 -4.85 117.38 126.83 1d1r n GLN 39 Ca -0.16 -4.83 -0.40 0.00 0.07 0.00 0.00 57.00 51.69 1d1r n GLN 39 Cb 0.53 -2.29 0.02 0.00 2.41 0.00 0.00 30.24 30.91 1d1r n GLN 39 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1d1r s THR 40 N -4.42 2.01 0.00 1.69 -4.23 -1.26 -4.80 115.64 104.63 1d1r s THR 40 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1d1r s THR 40 Cb 0.26 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1d1r s THR 40 CO -0.14 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.75 1d1r n SER 41 N -0.16 0.00 0.00 3.99 7.64 -1.26 -5.10 113.62 118.73 1d1r n SER 41 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1d1r n SER 41 Cb 0.41 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1d1r n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d1r n GLY 42 N 3.16 -0.77 0.00 0.23 0.00 -1.26 -5.08 105.19 101.47 1d1r n GLY 42 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1d1r n GLY 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d1r n ARG 43 N 0.00 0.00 0.39 1.61 0.63 -1.26 -4.99 116.66 113.04 1d1r n ARG 43 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1d1r n ARG 43 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1d1r n ARG 43 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1d1r h LYS 44 N 0.00 -0.92 0.00 -0.14 1.57 -2.04 -3.47 116.57 111.57 1d1r h LYS 44 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1d1r h LYS 44 Cb 0.00 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1d1r h LYS 44 CO 0.00 -0.61 0.00 0.41 -0.57 0.00 0.00 179.45 178.68 1d1r n GLY 45 N -1.44 3.23 1.57 3.86 0.00 -1.26 -5.08 105.19 106.07 1d1r n GLY 45 Ca -0.14 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.06 -4.17 1.61 5.02 -1.26 -5.04 118.16 112.25 1d1r n LYS 46 Ca 0.00 -0.78 -0.30 0.00 -2.02 0.00 0.00 58.31 55.21 1d1r n LYS 46 Cb 0.00 -0.74 -0.08 0.00 -0.02 0.00 0.00 35.03 34.18 1d1r n LYS 46 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1d1r s GLY 47 N -3.32 1.90 0.06 0.72 0.00 -1.26 -4.94 107.32 100.47 1d1r s GLY 47 Ca 0.32 -1.10 0.09 0.00 0.00 0.00 0.00 44.72 44.03 1d1r s GLY 47 CO 0.25 -1.06 -0.26 -1.34 0.00 0.00 0.00 173.10 170.69 1d1r s VAL 48 N -1.26 2.24 -0.06 1.40 -7.23 -1.26 -3.72 120.40 110.50 1d1r s VAL 48 Ca 0.24 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1d1r s VAL 48 Cb -0.12 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1d1r s VAL 48 CO 0.16 0.30 -0.09 0.00 -0.31 0.00 0.00 175.10 175.17 1d1r s LEU 50 N -0.77 1.11 -0.24 0.00 1.02 -1.20 -2.01 118.68 116.59 1d1r s LEU 50 Ca 0.12 -0.28 -0.10 0.00 0.02 0.00 0.00 54.13 53.89 1d1r s LEU 50 Cb -0.11 -0.79 -0.05 0.00 0.02 0.00 0.00 46.19 45.27 1d1r s LEU 50 CO 0.01 -0.13 0.14 -0.63 0.02 0.00 0.00 176.35 175.76 1d1r s ILE 51 N 1.74 5.16 0.15 -0.59 -1.09 -0.54 -4.02 121.20 122.02 1d1r s ILE 51 Ca 0.05 0.11 -0.23 0.00 -2.23 0.00 0.00 60.65 58.35 1d1r s ILE 51 Cb -0.13 -3.40 0.07 0.00 -1.58 0.00 0.00 42.46 37.42 1d1r s ILE 51 CO -0.08 0.35 0.59 0.28 -1.23 0.00 0.00 174.94 174.86 1d1r s THR 52 N 1.09 0.00 0.00 2.92 -1.32 -1.14 -1.63 115.64 115.56 1d1r s THR 52 Ca 0.07 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1d1r s THR 52 Cb -0.14 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1d1r s THR 52 CO 0.04 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1d1r n GLY 53 N -0.31 2.34 3.64 6.08 0.00 -1.26 -2.56 105.19 113.11 1d1r n GLY 53 Ca -0.17 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.13 0.18 -3.35 1.61 0.31 -1.23 -4.73 118.33 111.00 1d1r n VAL 54 Ca 0.00 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 1d1r n VAL 54 Cb 0.00 -0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.89 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 5.76 4.67 -1.78 4.52 9.92 -1.26 -5.01 116.55 133.37 1d1r n ASP 55 Ca 0.33 -3.37 -0.01 0.00 -0.53 0.00 0.00 54.79 51.20 1d1r n ASP 55 Cb 0.07 -0.93 -0.00 0.00 -0.64 0.00 0.00 41.12 39.61 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 1.30 0.00 -4.65 0.64 4.77 -1.26 -4.76 117.00 113.03 1d1r n LEU 56 Ca 0.27 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 1d1r n LEU 56 Cb 0.38 0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1d1r n LEU 56 CO 0.50 -0.02 0.67 0.47 -1.33 0.00 0.00 177.39 177.69 1d1r n ASP 57 N -1.60 1.38 0.04 -1.43 9.92 -1.26 -4.82 116.55 118.79 1d1r n ASP 57 Ca -0.00 0.89 0.04 0.00 -0.53 0.00 0.00 54.79 55.18 1d1r n ASP 57 Cb 0.02 -1.44 0.43 0.00 -0.64 0.00 0.00 41.12 39.49 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 0.91 0.40 0.94 -2.24 5.19 -2.00 -1.32 116.42 118.30 1d1r h ASP 58 Ca -0.48 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 55.74 1d1r h ASP 58 Cb 1.34 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 1d1r h ASP 58 CO 0.53 0.34 -0.78 0.00 -3.12 0.00 0.00 179.24 176.21 1d1r h ALA 59 N 1.73 0.61 -0.02 3.45 0.00 -2.01 -3.14 119.26 119.89 1d1r h ALA 59 Ca 0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1d1r h ALA 59 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1d1r h ALA 59 CO -0.02 0.98 -0.46 1.49 0.00 0.00 0.00 179.25 181.24 1d1r h GLU 60 N 0.00 0.05 0.59 0.00 4.81 -1.60 -2.61 114.58 115.82 1d1r h GLU 60 Ca -0.01 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1d1r h GLU 60 Cb 1.47 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.85 1d1r h GLU 60 CO 0.10 0.50 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.53 1d1r h LEU 61 N 0.04 -0.67 -2.49 1.64 3.38 -1.36 -1.95 115.31 113.89 1d1r h LEU 61 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1d1r h LEU 61 Cb 0.83 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1d1r h LEU 61 CO 0.06 -0.30 0.11 0.71 0.09 0.00 0.00 178.44 179.12 1d1r h THR 62 N -1.10 0.00 0.03 0.22 1.35 -1.58 -1.00 112.91 110.83 1d1r h THR 62 Ca -0.08 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.62 1d1r h THR 62 Cb 0.66 0.83 0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1d1r h THR 62 CO 0.13 0.00 -0.64 0.11 -0.25 0.00 0.00 175.52 174.87 1d1r h LYS 63 N 0.00 0.39 0.00 4.72 1.57 -1.06 -2.26 116.57 119.93 1d1r h LYS 63 Ca 0.00 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 1d1r h LYS 63 Cb 0.22 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1d1r h LYS 63 CO 0.00 1.13 -0.49 1.25 -0.57 0.00 0.00 179.45 180.77 1d1r h LEU 64 N -0.16 0.00 0.09 2.94 7.12 -0.46 -1.97 115.31 122.87 1d1r h LEU 64 Ca -0.09 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1d1r h LEU 64 Cb 1.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1d1r h LEU 64 CO 0.12 0.49 -0.05 0.00 -0.13 0.00 0.00 178.44 178.88 1d1r h ALA 65 N 1.51 -0.13 -0.17 1.25 0.00 -1.35 -2.22 119.26 118.15 1d1r h ALA 65 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1d1r h ALA 65 Cb 0.92 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1d1r h ALA 65 CO 0.06 -0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.12 1d1r h ALA 66 N 0.02 0.19 -0.56 0.00 0.00 -1.41 -1.36 119.26 116.14 1d1r h ALA 66 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1d1r h ALA 66 Cb 0.56 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1d1r h ALA 66 CO 0.02 -0.36 0.19 0.93 0.00 0.00 0.00 179.25 180.03 1d1r h GLU 67 N 0.16 0.35 -0.68 0.00 5.08 -1.43 0.75 114.58 118.81 1d1r h GLU 67 Ca 0.07 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1d1r h GLU 67 Cb 0.03 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1d1r h GLU 67 CO -0.06 0.23 0.45 1.25 -1.00 0.00 0.00 179.01 179.87 1d1r h LEU 68 N 0.36 0.74 -1.10 1.33 5.85 -0.84 -1.21 115.31 120.43 1d1r h LEU 68 Ca 0.28 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1d1r h LEU 68 Cb 0.35 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1d1r h LEU 68 CO -0.30 0.53 0.38 0.50 -0.34 0.00 0.00 178.44 179.21 1d1r h LYS 69 N 0.87 1.01 -0.11 1.25 3.11 0.23 -0.35 116.57 122.59 1d1r h LYS 69 Ca 0.26 -0.12 0.03 0.00 -2.81 0.00 0.00 60.65 58.01 1d1r h LYS 69 Cb -0.03 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.00 1d1r h LYS 69 CO -0.06 0.75 0.12 0.87 -2.81 0.00 0.00 179.45 178.32 1d1r h LYS 70 N 1.02 0.00 -1.48 1.90 1.57 -0.51 -2.17 116.57 116.88 1d1r h LYS 70 Ca 0.26 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.47 1d1r h LYS 70 Cb 0.04 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.94 1d1r h LYS 70 CO -0.04 0.00 -0.78 1.63 -0.57 0.00 0.00 179.45 179.70 1d1r n LYS 71 N -3.82 3.20 0.08 3.15 5.02 -0.17 -4.81 118.16 120.81 1d1r n LYS 71 Ca -0.00 -4.39 0.00 0.00 -2.02 0.00 0.00 58.31 51.90 1d1r n LYS 71 Cb 0.23 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 2.13 1.49 0.00 0.00 0.00 -1.25 -5.08 105.19 102.48 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 1.77 0.00 0.00 0.00 -1.26 -4.93 107.32 102.90 1d1r s GLY 75 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 44.72 42.63 1d1r s GLY 75 CO 0.00 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.26 1d1r n GLY 76 N 5.25 -0.84 3.33 0.20 0.00 -1.26 -4.88 105.19 107.00 1d1r n GLY 76 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.70 2.82 -0.77 4.61 0.00 -0.79 -5.01 121.76 119.92 1d1r s ALA 77 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1d1r s ALA 77 Cb 0.00 -1.65 0.20 0.00 0.00 0.00 0.00 23.12 21.67 1d1r s ALA 77 CO 0.00 -0.31 0.66 0.28 0.00 0.00 0.00 175.76 176.39 1d1r n VAL 78 N 4.57 2.32 -3.25 0.00 0.31 -1.26 -1.77 118.33 119.26 1d1r n VAL 78 Ca -0.18 -5.04 -0.35 0.00 -0.01 0.00 0.00 64.34 58.76 1d1r n VAL 78 Cb 0.51 -2.23 -0.06 0.00 -0.91 0.00 0.00 33.84 31.15 1d1r n VAL 78 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1d1r s LYS 79 N -1.66 4.06 -0.81 5.55 1.02 -0.36 -4.95 119.74 122.59 1d1r s LYS 79 Ca 0.28 0.63 -0.25 0.00 0.02 0.00 0.00 55.97 56.65 1d1r s LYS 79 Cb -0.02 -2.85 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 1d1r s LYS 79 CO -0.12 0.41 2.17 -0.51 -0.92 0.00 0.00 175.35 176.38 1d1r s ASP 80 N -1.79 4.56 0.00 2.83 1.11 -1.26 -1.42 116.67 120.70 1d1r s ASP 80 Ca 0.42 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.98 1d1r s ASP 80 Cb -0.15 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.29 1d1r s ASP 80 CO 0.20 -3.22 0.00 0.61 1.18 0.00 0.00 175.17 173.94 1d1r n GLY 81 N 6.70 1.34 2.87 0.21 0.00 -1.26 -5.09 105.19 109.95 1d1r n GLY 81 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.86 0.09 -0.03 1.61 1.01 -0.51 -4.43 120.40 117.29 1d1r s VAL 82 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1d1r s VAL 82 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1d1r s VAL 82 CO 0.00 0.05 -0.09 -0.63 0.00 0.00 0.00 175.10 174.42 1d1r s ILE 83 N 0.20 0.80 -0.13 2.22 1.01 -0.65 -1.22 121.20 123.43 1d1r s ILE 83 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1d1r s ILE 83 Cb -0.03 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.76 1d1r s ILE 83 CO -0.01 0.25 -0.02 -1.61 0.00 0.00 0.00 174.94 173.56 1d1r s GLU 84 N 0.24 1.04 -0.04 2.79 2.02 -0.73 -1.46 118.70 122.55 1d1r s GLU 84 Ca -0.04 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1d1r s GLU 84 Cb -0.09 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.52 1d1r s GLU 84 CO 0.01 -0.41 0.28 0.42 0.02 0.00 0.00 175.26 175.58 1d1r s ILE 85 N 1.80 0.04 0.33 -1.63 1.01 -0.85 -1.89 121.20 120.01 1d1r s ILE 85 Ca 0.02 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 1d1r s ILE 85 Cb -0.14 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.71 1d1r s ILE 85 CO -0.07 -0.20 1.13 -1.58 0.00 0.00 0.00 174.94 174.23 1d1r s GLN 86 N -0.85 4.43 0.00 2.79 0.74 -1.26 -1.42 119.66 124.09 1d1r s GLN 86 Ca -0.09 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.14 1d1r s GLN 86 Cb -0.05 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 31.07 1d1r s GLN 86 CO 0.03 0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.19 1d1r n GLY 87 N 0.92 1.88 2.76 2.59 0.00 -1.24 -4.80 105.19 107.30 1d1r n GLY 87 Ca 0.01 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1d1r n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d1r n ASP 88 N 0.00 6.53 -2.76 1.61 9.92 -1.26 -4.12 116.55 126.46 1d1r n ASP 88 Ca 0.00 -3.78 -0.18 0.00 -0.53 0.00 0.00 54.79 50.30 1d1r n ASP 88 Cb 0.00 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 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 -0.46 2.01 0.03 -1.24 5.02 -1.26 -4.88 118.16 117.38 1d1r n LYS 89 Ca 0.48 -3.84 0.22 0.00 -2.02 0.00 0.00 58.31 53.15 1d1r n LYS 89 Cb 0.37 -1.74 0.73 0.00 -0.02 0.00 0.00 35.03 34.37 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 2.89 0.00 0.25 1.97 0.11 -1.94 -0.96 114.38 116.69 1d1r h ARG 90 Ca 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 1d1r h ARG 90 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1d1r h ARG 90 CO 0.64 0.00 -0.12 0.22 0.10 0.00 0.00 179.97 180.81 1d1r h ASP 91 N 0.00 -0.28 -0.22 0.08 3.58 -1.96 -1.54 116.42 116.08 1d1r h ASP 91 Ca 0.24 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.54 1d1r h ASP 91 Cb 1.15 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1d1r h ASP 91 CO -0.00 0.02 0.10 0.25 -2.88 0.00 0.00 179.24 176.73 1d1r h LEU 92 N -0.60 0.13 -1.11 2.28 6.46 -1.61 -1.52 115.31 119.34 1d1r h LEU 92 Ca -0.03 0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.88 1d1r h LEU 92 Cb 0.44 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.27 1d1r h LEU 92 CO 0.06 0.11 0.61 -0.07 -0.62 0.00 0.00 178.44 178.52 1d1r h LEU 93 N 0.21 0.81 -1.09 2.25 3.38 -1.35 0.20 115.31 119.72 1d1r h LEU 93 Ca 0.09 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1d1r h LEU 93 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1d1r h LEU 93 CO -0.08 0.40 -0.39 0.50 0.09 0.00 0.00 178.44 178.97 1d1r h LYS 94 N 0.86 0.13 0.38 1.13 3.64 -0.34 -2.12 116.57 120.25 1d1r h LYS 94 Ca 0.49 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1d1r h LYS 94 Cb 0.63 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1d1r h LYS 94 CO -0.26 0.50 -0.18 1.03 -2.27 0.00 0.00 179.45 178.27 1d1r h SER 95 N 0.11 -0.43 -0.99 4.20 0.87 0.31 -2.10 113.55 115.52 1d1r h SER 95 Ca 0.01 0.01 0.21 0.00 -1.23 0.00 0.00 61.79 60.80 1d1r h SER 95 Cb 0.74 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.71 1d1r h SER 95 CO 0.06 -0.20 0.62 0.17 -0.53 0.00 0.00 176.83 176.95 1d1r h LEU 96 N -0.73 0.63 -0.51 2.23 8.10 -1.43 0.13 115.31 123.73 1d1r h LEU 96 Ca -0.05 0.09 0.01 0.00 0.11 0.00 0.00 57.88 58.04 1d1r h LEU 96 Cb 0.39 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.56 1d1r h LEU 96 CO 0.09 0.20 0.32 0.25 -4.11 0.00 0.00 178.44 175.18 1d1r h LEU 97 N 0.60 0.54 -1.09 0.17 7.12 -1.33 -0.30 115.31 121.02 1d1r h LEU 97 Ca 0.57 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.57 1d1r h LEU 97 Cb 1.11 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1d1r h LEU 97 CO -0.33 0.39 0.00 -0.08 -0.13 0.00 0.00 178.44 178.28 1d1r h GLU 98 N 0.65 0.00 0.00 1.25 4.81 -0.06 -2.52 114.58 118.71 1d1r h GLU 98 Ca 0.19 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1d1r h GLU 98 Cb -0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1d1r h GLU 98 CO -0.06 0.00 -0.30 0.00 -0.73 0.00 0.00 179.01 177.92 1d1r h ALA 99 N 2.14 1.25 0.00 2.92 0.00 -0.03 -2.19 119.26 123.36 1d1r h ALA 99 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1d1r h ALA 99 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1d1r h ALA 99 CO 0.00 0.37 -0.42 0.87 0.00 0.00 0.00 179.25 180.07 1d1r h LYS 100 N 0.00 0.00 0.00 0.00 6.56 -1.41 -3.47 116.57 118.25 1d1r h LYS 100 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1d1r h LYS 100 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1d1r h LYS 100 CO 0.04 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.84 1d1r n GLY 101 N 1.27 0.82 4.00 3.86 0.00 -0.82 -4.91 105.19 109.41 1d1r n GLY 101 Ca 0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.75 2.65 0.64 1.61 -1.94 -1.24 -4.42 119.30 114.85 1d1r s MET 102 Ca 0.00 -1.15 -0.07 0.00 -1.71 0.00 0.00 55.69 52.76 1d1r s MET 102 Cb 0.00 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.21 1d1r s MET 102 CO 0.00 -0.50 0.97 0.15 -0.01 0.00 0.00 175.02 175.63 1d1r s LYS 103 N -4.53 2.76 -0.13 2.03 1.02 -0.75 -4.67 119.74 115.47 1d1r s LYS 103 Ca 0.57 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.56 1d1r s LYS 103 Cb -0.09 -2.19 0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1d1r s LYS 103 CO 0.36 -0.89 0.29 0.08 -0.92 0.00 0.00 175.35 174.27 1d1r s VAL 104 N -3.13 -0.28 -0.92 3.17 1.01 -1.26 -2.11 120.40 116.87 1d1r s VAL 104 Ca 0.56 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1d1r s VAL 104 Cb -0.11 -0.47 0.23 0.00 0.00 0.00 0.00 36.38 36.04 1d1r s VAL 104 CO 0.47 0.09 0.86 0.29 0.00 0.00 0.00 175.10 176.80 1d1r n LYS 105 N 4.89 2.83 -1.43 2.72 5.02 -1.17 -5.01 118.16 126.01 1d1r n LYS 105 Ca -0.14 -4.49 -0.48 0.00 -2.02 0.00 0.00 58.31 51.18 1d1r n LYS 105 Cb 0.51 -2.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.00 1d1r n LYS 105 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1d1r n LEU 106 N 2.21 1.25 -4.93 -0.35 4.77 -1.26 -4.61 117.00 114.09 1d1r n LEU 106 Ca 0.23 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.28 1d1r n LEU 106 Cb 0.37 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 1d1r n LEU 106 CO 0.40 -0.86 -0.03 0.00 -1.33 0.00 0.00 177.39 175.57 1d1r s ALA 107 N 8.21 3.98 0.00 -1.18 0.00 -1.26 -5.08 121.76 126.43 1d1r s ALA 107 Ca 1.19 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1d1r s ALA 107 Cb -1.04 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1d1r s ALA 107 CO 0.50 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1d1r n GLY 108 N -1.46 1.15 0.00 0.00 0.00 -1.26 -4.40 105.19 99.21 1d1r n GLY 108 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.54 1.40 -0.02 0.00 -1.26 -5.05 105.19 97.73 1d1r n GLY 109 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.28 -0.44 0.99 4.77 -1.26 -5.24 117.00 116.11 1d1r n LEU 110 Ca 0.00 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.25 1d1r n LEU 110 Cb 0.00 -0.02 0.56 0.00 -2.33 0.00 0.00 43.42 41.63 1d1r n LEU 110 CO 0.00 -0.63 0.89 1.21 -1.33 0.00 0.00 177.39 177.53