#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdv n PHE -1 N 0.00 0.75 -4.70 0.54 3.72 -1.26 -5.18 117.46 111.33 3kdv n PHE -1 Ca 0.00 -0.58 -0.33 0.00 -0.05 0.00 0.00 57.45 56.49 3kdv n PHE -1 Cb 0.00 -0.10 -0.13 0.00 -0.94 0.00 0.00 39.48 38.31 3kdv n PHE -1 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kdv s THR 0 N -1.41 3.38 0.34 4.37 -4.23 -1.26 -5.24 115.64 111.59 3kdv s THR 0 Ca 0.34 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.31 3kdv s THR 0 Cb 0.20 -2.39 -0.06 0.00 1.34 0.00 0.00 72.50 71.59 3kdv s THR 0 CO 0.18 0.56 0.06 -0.76 -0.54 0.00 0.00 174.62 174.12 3kdv s LEU 2 N -0.30 2.22 -0.16 4.79 1.02 -0.87 -4.84 118.68 120.54 3kdv s LEU 2 Ca 0.03 -1.41 -0.07 0.00 0.02 0.00 0.00 54.13 52.71 3kdv s LEU 2 Cb -0.13 -0.41 0.07 0.00 0.02 0.00 0.00 46.19 45.74 3kdv s LEU 2 CO 0.03 -0.63 0.35 -1.00 0.02 0.00 0.00 176.35 175.12 3kdv s HIS 3 N -3.23 -0.59 -0.17 0.29 3.76 -1.26 -1.52 115.29 112.57 3kdv s HIS 3 Ca 0.35 1.23 -0.02 0.00 -0.15 0.00 0.00 55.06 56.47 3kdv s HIS 3 Cb 0.08 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.93 3kdv s HIS 3 CO 0.15 -0.39 -0.10 -1.50 -0.85 0.00 0.00 174.74 172.06 3kdv s ILE 4 N 2.15 3.12 -0.29 0.60 2.07 -0.90 -4.95 121.20 123.00 3kdv s ILE 4 Ca -0.03 -0.61 -0.19 0.00 -1.41 0.00 0.00 60.65 58.41 3kdv s ILE 4 Cb -0.11 -2.36 -0.02 0.00 0.13 0.00 0.00 42.46 40.11 3kdv s ILE 4 CO -0.11 0.49 0.56 -0.70 -1.91 0.00 0.00 174.94 173.27 3kdv s GLU 5 N 0.83 3.94 0.16 3.50 2.12 -1.26 -1.44 118.70 126.55 3kdv s GLU 5 Ca -0.03 0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.61 3kdv s GLU 5 Cb -0.15 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 3kdv s GLU 5 CO 0.01 -0.48 0.02 -0.06 -0.54 0.00 0.00 175.26 174.21 3kdv s PHE 6 N 2.44 2.91 -0.17 5.30 0.08 -0.11 -4.24 117.98 124.19 3kdv s PHE 6 Ca 0.23 -0.10 -0.08 0.00 0.12 0.00 0.00 56.93 57.10 3kdv s PHE 6 Cb -0.15 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3kdv s PHE 6 CO 0.11 0.51 0.08 0.42 -0.10 0.00 0.00 175.22 176.24 3kdv s ILE 7 N -1.66 4.96 0.73 0.64 -1.09 0.11 -2.00 121.20 122.90 3kdv s ILE 7 Ca 0.28 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 3kdv s ILE 7 Cb -0.10 -3.23 0.13 0.00 -1.58 0.00 0.00 42.46 37.69 3kdv s ILE 7 CO 0.19 0.48 1.01 -0.89 -1.23 0.00 0.00 174.94 174.50 3kdv s THR 8 N 0.16 2.10 0.41 2.92 2.01 -0.45 -1.95 115.64 120.83 3kdv s THR 8 Ca 0.06 -0.59 0.16 0.00 0.31 0.00 0.00 61.69 61.63 3kdv s THR 8 Cb -0.12 -2.51 0.17 0.00 0.01 0.00 0.00 72.50 70.05 3kdv s THR 8 CO 0.00 0.00 1.94 -2.24 -0.69 0.00 0.00 174.62 173.63 3kdv h ASP 9 N -0.57 0.00 -0.54 3.53 2.03 -1.87 -2.02 116.42 116.98 3kdv h ASP 9 Ca -0.36 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.83 3kdv h ASP 9 Cb 1.26 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.70 3kdv h ASP 9 CO 0.39 0.24 0.14 0.18 -1.03 0.00 0.00 179.24 179.16 3kdv n LEU 10 N -4.12 5.04 0.00 0.15 4.77 -1.26 -4.94 117.00 116.65 3kdv n LEU 10 Ca -0.02 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 3kdv n LEU 10 Cb 0.31 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3kdv n LEU 10 CO 0.36 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3kdv n GLY 11 N 0.15 0.21 3.81 -0.72 0.00 -0.76 -4.99 105.19 102.89 3kdv n GLY 11 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3kdv n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdv s ALA 12 N -1.53 2.87 -0.43 4.61 0.00 -1.26 -4.49 121.76 121.53 3kdv s ALA 12 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 3kdv s ALA 12 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3kdv s ALA 12 CO 0.00 -0.40 0.57 0.21 0.00 0.00 0.00 175.76 176.14 3kdv s LYS 13 N -3.55 3.22 -0.06 0.00 2.20 -1.26 -1.35 119.74 118.95 3kdv s LYS 13 Ca 0.65 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 3kdv s LYS 13 Cb -0.15 -3.95 0.04 0.00 -1.51 0.00 0.00 37.83 32.26 3kdv s LYS 13 CO 0.25 -0.95 0.11 0.08 -0.36 0.00 0.00 175.35 174.48 3kdv s VAL 14 N 2.58 -0.12 -0.15 4.02 1.01 -0.85 -5.02 120.40 121.87 3kdv s VAL 14 Ca 0.19 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3kdv s VAL 14 Cb -0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3kdv s VAL 14 CO 0.17 0.12 -0.05 -0.89 0.00 0.00 0.00 175.10 174.45 3kdv s THR 15 N 1.65 3.77 -0.20 3.92 2.01 -1.26 -0.94 115.64 124.59 3kdv s THR 15 Ca -0.03 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 3kdv s THR 15 Cb -0.12 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3kdv s THR 15 CO -0.05 0.50 0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 3kdv s VAL 16 N 0.38 4.35 0.52 3.82 1.01 -0.52 -4.95 120.40 125.02 3kdv s VAL 16 Ca -0.05 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3kdv s VAL 16 Cb -0.14 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3kdv s VAL 16 CO 0.03 0.43 1.13 -1.81 0.00 0.00 0.00 175.10 174.89 3kdv s ASP 17 N 0.79 5.85 -0.03 3.32 1.11 -1.26 -2.12 116.67 124.32 3kdv s ASP 17 Ca 0.02 2.20 0.01 0.00 0.18 0.00 0.00 52.55 54.96 3kdv s ASP 17 Cb -0.14 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.28 3kdv s ASP 17 CO 0.02 -1.13 -0.04 -0.69 1.18 0.00 0.00 175.17 174.51 3kdv s VAL 18 N -1.73 0.43 0.34 -1.27 1.01 -0.58 -4.93 120.40 113.68 3kdv s VAL 18 Ca 0.70 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.60 3kdv s VAL 18 Cb -0.25 -0.46 0.27 0.00 0.00 0.00 0.00 36.38 35.94 3kdv s VAL 18 CO 0.28 0.19 2.00 -0.33 0.00 0.00 0.00 175.10 177.23 3kdv h GLU 19 N 6.94 0.87 -1.50 2.72 5.08 -1.94 -2.32 114.58 124.44 3kdv h GLU 19 Ca -0.38 -0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.22 3kdv h GLU 19 Cb 1.16 -0.20 -0.14 0.00 0.50 0.00 0.00 28.75 30.06 3kdv h GLU 19 CO 0.48 0.58 0.80 -1.54 -1.00 0.00 0.00 179.01 178.34 3kdv s SER 20 N -6.40 -0.09 0.57 1.42 1.04 -1.26 -4.72 113.70 104.26 3kdv s SER 20 Ca -0.10 -0.10 0.26 0.00 0.48 0.00 0.00 55.95 56.49 3kdv s SER 20 Cb 0.18 0.17 1.67 0.00 0.10 0.00 0.00 66.02 68.14 3kdv s SER 20 CO 0.77 -0.30 2.21 0.00 0.98 0.00 0.00 173.24 176.90 3kdv h ALA 21 N 2.00 1.69 0.00 5.32 0.00 -1.94 -0.69 119.26 125.64 3kdv h ALA 21 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kdv h ALA 21 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kdv h ALA 21 CO 0.26 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 3kdv n ASP 22 N -4.01 0.00 -0.16 0.00 5.75 -1.26 -2.78 116.55 114.09 3kdv n ASP 22 Ca -0.02 -0.79 0.07 0.00 -0.01 0.00 0.00 54.79 54.03 3kdv n ASP 22 Cb 0.12 -0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 3kdv n ASP 22 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kdv n LYS 23 N -1.05 2.18 -0.24 0.11 5.02 -0.27 -4.68 118.16 119.24 3kdv n LYS 23 Ca 0.21 -0.36 -0.01 0.00 -2.02 0.00 0.00 58.31 56.12 3kdv n LYS 23 Cb 0.12 -1.18 0.10 0.00 -0.02 0.00 0.00 35.03 34.06 3kdv n LYS 23 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kdv h LEU 24 N 0.76 0.61 -0.52 -0.35 5.85 -1.56 -2.36 115.31 117.73 3kdv h LEU 24 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3kdv h LEU 24 Cb 0.40 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3kdv h LEU 24 CO 0.00 0.39 0.12 -0.07 -0.34 0.00 0.00 178.44 178.55 3kdv h LEU 25 N 0.74 0.80 -0.93 2.25 3.38 -1.83 -1.76 115.31 117.96 3kdv h LEU 25 Ca 0.31 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3kdv h LEU 25 Cb 0.17 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3kdv h LEU 25 CO -0.18 0.83 0.58 0.44 0.09 0.00 0.00 178.44 180.20 3kdv h ASP 26 N 0.73 0.90 -0.42 -0.43 3.32 -1.77 -2.27 116.42 116.49 3kdv h ASP 26 Ca 0.16 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 3kdv h ASP 26 Cb 0.34 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3kdv h ASP 26 CO 0.00 0.55 -0.23 0.58 -1.72 0.00 0.00 179.24 178.42 3kdv h VAL 27 N 1.02 1.28 -0.90 -1.35 2.07 -1.02 -2.38 116.25 114.97 3kdv h VAL 27 Ca 0.42 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3kdv h VAL 27 Cb 0.25 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3kdv h VAL 27 CO -0.20 0.47 0.59 1.56 0.02 0.00 0.00 177.57 180.01 3kdv h GLN 28 N 0.71 1.15 -0.40 1.57 4.20 -1.04 -2.61 115.11 118.69 3kdv h GLN 28 Ca 0.09 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3kdv h GLN 28 Cb 0.80 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3kdv h GLN 28 CO 0.07 0.76 -0.15 0.00 -0.67 0.00 0.00 178.83 178.84 3kdv h ARG 29 N 1.19 0.80 -0.10 1.46 3.08 -1.25 -1.23 114.38 118.34 3kdv h ARG 29 Ca 0.34 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kdv h ARG 29 Cb -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3kdv h ARG 29 CO -0.09 0.95 0.02 0.37 -1.07 0.00 0.00 179.97 180.15 3kdv h GLN 30 N 0.61 0.06 0.00 0.04 5.75 -1.09 -1.28 115.11 119.20 3kdv h GLN 30 Ca 0.09 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3kdv h GLN 30 Cb 0.69 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3kdv h GLN 30 CO 0.05 0.04 -0.51 0.66 -2.65 0.00 0.00 178.83 176.42 3kdv n TYR 31 N -5.08 0.11 -0.09 3.99 4.01 -1.02 -3.59 117.16 115.49 3kdv n TYR 31 Ca -0.05 0.03 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 3kdv n TYR 31 Cb 0.05 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 38.70 3kdv n TYR 31 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kdv h GLY 32 N 4.89 0.60 0.76 2.72 0.00 -0.94 -1.06 103.07 110.05 3kdv h GLY 32 Ca 0.00 -0.52 0.18 0.00 0.00 0.00 0.00 47.33 46.99 3kdv h GLY 32 CO 0.00 0.47 0.45 0.07 0.00 0.00 0.00 176.54 177.53 3kdv h ARG 33 N 0.30 0.04 -0.01 4.80 -0.00 -1.30 0.22 114.38 118.43 3kdv h ARG 33 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.04 3kdv h ARG 33 Cb 0.60 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 3kdv h ARG 33 CO 0.03 0.03 -0.03 1.28 -0.00 0.00 0.00 179.97 181.28 3kdv n LEU 34 N -4.37 0.71 0.00 0.08 4.77 -1.16 -4.92 117.00 112.11 3kdv n LEU 34 Ca 0.12 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3kdv n LEU 34 Cb 0.67 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3kdv n LEU 34 CO 0.37 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3kdv n GLY 35 N 1.14 0.71 3.77 -0.72 0.00 0.76 -4.79 105.19 106.06 3kdv n GLY 35 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3kdv n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kdv s TRP 36 N -2.31 2.94 0.14 1.61 0.52 -0.41 -4.70 118.94 116.74 3kdv s TRP 36 Ca 0.00 1.53 0.10 0.00 0.02 0.00 0.00 56.10 57.75 3kdv s TRP 36 Cb 0.00 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.87 3kdv s TRP 36 CO 0.00 -1.48 -0.22 0.95 0.02 0.00 0.00 176.95 176.22 3kdv s THR 37 N -1.47 1.99 -0.17 2.01 -4.23 -0.82 -4.23 115.64 108.71 3kdv s THR 37 Ca 0.61 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 3kdv s THR 37 Cb -0.30 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 71.73 3kdv s THR 37 CO 0.37 -0.10 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.65 3kdv s SER 38 N -2.27 3.07 0.00 3.99 0.15 -1.26 -0.71 113.70 116.66 3kdv s SER 38 Ca 0.13 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3kdv s SER 38 Cb -0.09 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 3kdv s SER 38 CO 0.06 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.05 3kdv n GLY 39 N 4.68 -2.02 3.74 9.45 0.00 -1.26 -4.94 105.19 114.84 3kdv n GLY 39 Ca -0.18 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 3kdv n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdv s GLU 40 N 0.00 2.71 0.06 1.61 0.41 -1.26 -5.01 118.70 117.22 3kdv s GLU 40 Ca 0.00 -0.90 -0.31 0.00 -0.41 0.00 0.00 54.97 53.35 3kdv s GLU 40 Cb 0.00 -2.56 -0.06 0.00 -1.78 0.00 0.00 34.13 29.72 3kdv s GLU 40 CO 0.00 0.50 1.33 0.08 -0.49 0.00 0.00 175.26 176.67 3kdv s VAL 41 N -1.62 3.69 0.95 2.63 1.01 -1.26 -5.00 120.40 120.80 3kdv s VAL 41 Ca 0.29 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 3kdv s VAL 41 Cb -0.10 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.69 3kdv s VAL 41 CO 0.21 0.06 1.10 -2.84 0.00 0.00 0.00 175.10 173.63 3kdv s PRO 42 N 1.51 0.74 -0.10 2.72 0.02 -1.26 -4.84 135.00 133.77 3kdv s PRO 42 Ca 0.62 1.18 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 3kdv s PRO 42 Cb -0.32 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 3kdv s PRO 42 CO 0.28 -2.70 1.27 0.08 -0.33 0.00 0.00 177.00 175.60 3kdv s VAL 43 N -2.69 4.18 0.00 3.83 1.01 -1.26 -0.93 120.40 124.53 3kdv s VAL 43 Ca 0.66 1.47 0.00 0.00 0.00 0.00 0.00 61.98 64.11 3kdv s VAL 43 Cb -0.22 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3kdv s VAL 43 CO 0.59 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3kdv n GLY 44 N 3.55 1.58 0.00 4.51 0.00 -1.26 -4.97 105.19 108.61 3kdv n GLY 44 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kdv n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdv n GLY 45 N -2.00 0.23 3.75 -0.02 0.00 -0.11 -4.72 105.19 102.33 3kdv n GLY 45 Ca 0.00 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 3kdv n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdv s TYR 46 N -1.52 2.40 -0.38 1.61 1.51 -0.07 -4.68 117.35 116.21 3kdv s TYR 46 Ca 0.00 1.53 0.03 0.00 -1.01 0.00 0.00 57.07 57.62 3kdv s TYR 46 Cb 0.00 -3.44 0.11 0.00 -0.11 0.00 0.00 41.96 38.52 3kdv s TYR 46 CO 0.00 -2.16 0.11 -0.65 -1.11 0.00 0.00 175.55 171.74 3kdv s GLN 47 N -3.43 1.64 0.39 -0.62 -0.21 -1.26 -2.76 119.66 113.41 3kdv s GLN 47 Ca 0.76 -2.02 0.08 0.00 0.02 0.00 0.00 55.36 54.20 3kdv s GLN 47 Cb -0.29 -3.28 -0.00 0.00 1.00 0.00 0.00 33.01 30.44 3kdv s GLN 47 CO 0.34 -0.99 0.49 -0.06 -2.12 0.00 0.00 175.29 172.96 3kdv s PHE 48 N 0.70 2.88 0.37 0.91 0.08 -1.21 -5.01 117.98 116.69 3kdv s PHE 48 Ca 0.12 -0.36 -0.26 0.00 0.12 0.00 0.00 56.93 56.55 3kdv s PHE 48 Cb -0.21 -2.21 -0.09 0.00 -0.57 0.00 0.00 43.02 39.95 3kdv s PHE 48 CO -0.06 -0.22 1.11 -2.14 -0.10 0.00 0.00 175.22 173.81 3kdv s PRO 49 N -4.24 4.22 0.29 0.24 0.02 -1.26 -2.23 135.00 132.03 3kdv s PRO 49 Ca 0.50 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 63.22 3kdv s PRO 49 Cb -0.08 -2.74 0.44 0.00 0.02 0.00 0.00 34.50 32.14 3kdv s PRO 49 CO 0.31 -0.14 1.92 1.37 -0.33 0.00 0.00 177.00 180.14 3kdv h LEU 50 N 2.84 0.98 -0.52 -5.54 -0.00 -1.63 -2.10 115.31 109.34 3kdv h LEU 50 Ca -0.48 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.44 3kdv h LEU 50 Cb 1.22 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.61 3kdv h LEU 50 CO 0.63 0.66 0.26 -0.33 -0.00 0.00 0.00 178.44 179.66 3kdv h GLU 51 N 1.13 0.48 0.00 0.17 4.39 -1.83 -3.11 114.58 115.82 3kdv h GLU 51 Ca 0.37 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3kdv h GLU 51 Cb 0.05 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3kdv h GLU 51 CO -0.12 0.32 0.00 0.09 -1.16 0.00 0.00 179.01 178.14 3kdv n ASN 52 N -4.89 0.00 0.15 1.42 3.02 -0.79 -3.97 115.26 110.19 3kdv n ASN 52 Ca 0.05 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 3kdv n ASN 52 Cb 0.15 -0.49 0.20 0.00 -0.61 0.00 0.00 39.78 39.03 3kdv n ASN 52 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3kdv h GLU 53 N 0.00 0.00 -0.44 3.52 3.07 -1.64 -3.24 114.58 115.85 3kdv h GLU 53 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3kdv h GLU 53 Cb 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3kdv h GLU 53 CO 0.00 0.57 0.03 -1.35 -1.40 0.00 0.00 179.01 176.86 3kdv h PRO 54 N 0.00 0.77 -2.78 2.33 0.11 -1.84 -3.37 132.00 127.21 3kdv h PRO 54 Ca -0.01 -0.23 -0.61 0.00 0.11 0.00 0.00 66.00 65.27 3kdv h PRO 54 Cb 1.08 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.71 3kdv h PRO 54 CO 0.07 0.82 -0.76 0.16 -0.21 0.00 0.00 178.00 178.08 3kdv s ASP 55 N -6.23 3.30 -0.08 -2.05 -4.77 -1.22 -5.08 116.67 100.53 3kdv s ASP 55 Ca -0.13 -3.36 -0.02 0.00 -3.30 0.00 0.00 52.55 45.74 3kdv s ASP 55 Cb 0.11 -1.07 -0.03 0.00 -1.09 0.00 0.00 42.92 40.84 3kdv s ASP 55 CO 0.80 -0.15 -0.00 0.12 0.70 0.00 0.00 175.17 176.64 3kdv s PHE 56 N -0.59 3.15 -0.77 2.11 5.36 -1.24 -3.18 117.98 122.82 3kdv s PHE 56 Ca 0.27 0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 56.23 3kdv s PHE 56 Cb -0.04 -1.78 0.11 0.00 -0.34 0.00 0.00 43.02 40.97 3kdv s PHE 56 CO -0.15 0.46 0.97 0.34 -1.46 0.00 0.00 175.22 175.38 3kdv s ASP 57 N -0.90 6.41 0.24 6.13 -1.08 -1.21 -4.67 116.67 121.58 3kdv s ASP 57 Ca 0.13 -1.64 0.18 0.00 -0.52 0.00 0.00 52.55 50.70 3kdv s ASP 57 Cb -0.11 -2.37 0.90 0.00 -1.46 0.00 0.00 42.92 39.88 3kdv s ASP 57 CO 0.02 -1.16 1.54 0.79 0.52 0.00 0.00 175.17 176.89 3kdv n TRP 58 N 6.70 0.58 0.17 -5.34 7.02 -1.26 -2.17 117.44 123.14 3kdv n TRP 58 Ca 0.08 0.29 0.02 0.00 -1.02 0.00 0.00 57.50 56.87 3kdv n TRP 58 Cb 0.46 -0.96 0.36 0.00 -2.42 0.00 0.00 31.31 28.76 3kdv n TRP 58 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kdv h SER 59 N 0.00 0.07 0.00 -0.99 4.64 -1.90 -1.73 113.55 113.64 3kdv h SER 59 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kdv h SER 59 Cb 0.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3kdv h SER 59 CO 0.00 0.39 0.44 -0.07 -0.87 0.00 0.00 176.83 176.72 3kdv h LEU 60 N 0.06 0.00 -2.24 5.97 3.38 -1.70 -2.05 115.31 118.74 3kdv h LEU 60 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kdv h LEU 60 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kdv h LEU 60 CO 0.04 0.00 -0.09 2.30 0.09 0.00 0.00 178.44 180.78 3kdv n ILE 61 N -2.68 0.71 -1.23 1.22 -5.35 -1.06 -4.96 119.36 106.01 3kdv n ILE 61 Ca -0.01 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 3kdv n ILE 61 Cb 0.47 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 3kdv n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdv n GLY 62 N -0.46 1.04 3.39 3.28 0.00 -0.77 -4.87 105.19 106.81 3kdv n GLY 62 Ca 0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 3kdv n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdv s ALA 63 N -2.25 2.19 0.03 4.61 0.00 -0.68 -4.52 121.76 121.15 3kdv s ALA 63 Ca 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.19 3kdv s ALA 63 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3kdv s ALA 63 CO 0.00 0.03 -0.03 1.03 0.00 0.00 0.00 175.76 176.79 3kdv s ARG 64 N -3.67 0.37 -0.06 0.00 3.00 -1.15 -3.72 118.95 113.72 3kdv s ARG 64 Ca 0.26 -0.73 -0.18 0.00 0.00 0.00 0.00 55.73 55.07 3kdv s ARG 64 Cb 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 34.95 35.04 3kdv s ARG 64 CO 0.09 -0.06 0.51 0.15 0.00 0.00 0.00 175.30 175.99 3kdv s LYS 65 N -1.94 4.26 -0.27 3.54 -0.14 -1.26 -1.27 119.74 122.66 3kdv s LYS 65 Ca -0.11 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 3kdv s LYS 65 Cb -0.06 -3.37 0.15 0.00 -1.68 0.00 0.00 37.83 32.87 3kdv s LYS 65 CO -0.03 0.32 0.42 1.67 -0.76 0.00 0.00 175.35 176.97 3kdv s TRP 66 N 0.06 -1.03 0.22 3.18 -2.14 -1.26 -4.98 118.94 112.99 3kdv s TRP 66 Ca 0.27 0.67 -0.31 0.00 2.66 0.00 0.00 56.10 59.40 3kdv s TRP 66 Cb -0.16 -0.01 -0.10 0.00 -3.10 0.00 0.00 33.47 30.10 3kdv s TRP 66 CO 0.13 -0.88 1.49 0.99 -2.66 0.00 0.00 176.95 176.02 3kdv s THR 67 N 2.58 2.64 0.83 0.66 2.01 -1.25 -4.74 115.64 118.38 3kdv s THR 67 Ca 0.12 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 3kdv s THR 67 Cb -0.14 -3.32 0.10 0.00 0.01 0.00 0.00 72.50 69.15 3kdv s THR 67 CO -0.24 0.06 1.13 0.54 -0.69 0.00 0.00 174.62 175.43 3kdv s ASN 68 N 0.67 3.74 -0.81 3.53 6.03 0.25 -4.74 114.94 123.61 3kdv s ASN 68 Ca 0.63 2.05 -0.06 0.00 -1.03 0.00 0.00 52.86 54.45 3kdv s ASN 68 Cb -0.43 -2.55 -0.11 0.00 -3.03 0.00 0.00 41.25 35.14 3kdv s ASN 68 CO 0.39 -2.55 2.53 -0.81 -2.03 0.00 0.00 177.10 174.63 3kdv n PRO 69 N -3.76 2.29 -3.82 3.55 -0.04 -1.26 -4.21 135.00 127.75 3kdv n PRO 69 Ca 0.11 -1.41 -0.06 0.00 -0.04 0.00 0.00 63.50 62.10 3kdv n PRO 69 Cb 0.52 -2.35 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 3kdv n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kdv s GLU 70 N 2.51 1.64 -1.57 0.54 8.01 -1.26 -5.01 118.70 123.55 3kdv s GLU 70 Ca 0.50 -0.93 -0.09 0.00 0.01 0.00 0.00 54.97 54.46 3kdv s GLU 70 Cb 0.16 0.54 -0.05 0.00 -4.31 0.00 0.00 34.13 30.48 3kdv s GLU 70 CO -0.03 -0.75 2.85 0.41 0.01 0.00 0.00 175.26 177.75 3kdv n GLY 71 N -0.48 4.45 3.07 -1.39 0.00 -1.26 -4.83 105.19 104.75 3kdv n GLY 71 Ca -0.05 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 3kdv n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kdv s GLU 72 N 1.50 2.46 0.15 1.61 2.12 -1.26 -5.00 118.70 120.29 3kdv s GLU 72 Ca 0.67 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 3kdv s GLU 72 Cb 0.18 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 3kdv s GLU 72 CO -0.07 -0.13 0.38 -1.83 -0.54 0.00 0.00 175.26 173.07 3kdv s GLU 73 N 1.16 3.60 -0.14 4.30 4.04 -1.26 0.84 118.70 131.23 3kdv s GLU 73 Ca -0.02 -0.13 -0.05 0.00 0.04 0.00 0.00 54.97 54.81 3kdv s GLU 73 Cb -0.14 -2.84 0.07 0.00 0.02 0.00 0.00 34.13 31.23 3kdv s GLU 73 CO -0.06 0.45 0.28 0.42 -1.84 0.00 0.00 175.26 174.51 3kdv s ILE 75 N -1.70 -0.44 -0.27 1.83 1.01 -0.96 -4.72 121.20 115.94 3kdv s ILE 75 Ca 0.41 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 3kdv s ILE 75 Cb -0.12 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 3kdv s ILE 75 CO 0.26 0.11 0.24 -0.76 0.00 0.00 0.00 174.94 174.79 3kdv s LEU 76 N 2.43 4.04 -0.14 2.97 1.02 -0.39 -1.83 118.68 126.76 3kdv s LEU 76 Ca 0.01 0.09 -0.02 0.00 0.02 0.00 0.00 54.13 54.23 3kdv s LEU 76 Cb -0.12 -2.21 0.04 0.00 0.02 0.00 0.00 46.19 43.92 3kdv s LEU 76 CO -0.09 -0.08 0.00 -2.28 0.02 0.00 0.00 176.35 173.93 3kdv s HIS 77 N 1.78 1.05 -1.40 0.29 5.04 -0.88 -2.92 115.29 118.24 3kdv s HIS 77 Ca 0.09 -0.66 -0.09 0.00 -1.54 0.00 0.00 55.06 52.86 3kdv s HIS 77 Cb -0.16 -1.01 0.04 0.00 0.04 0.00 0.00 32.58 31.49 3kdv s HIS 77 CO 0.10 -0.51 1.06 0.54 -2.34 0.00 0.00 174.74 173.59 3kdv n ARG 78 N 5.05 -6.72 -3.44 2.88 1.74 -1.26 -2.87 116.66 112.03 3kdv n ARG 78 Ca -0.09 0.73 -0.22 0.00 -0.77 0.00 0.00 57.85 57.50 3kdv n ARG 78 Cb 0.48 -5.68 0.06 0.00 -1.02 0.00 0.00 32.46 26.30 3kdv n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdv n GLY 79 N -1.78 -1.06 3.27 -0.13 0.00 -1.26 -5.03 105.19 99.19 3kdv n GLY 79 Ca -0.03 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 3kdv n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kdv s HIS 80 N -3.43 -0.37 -0.13 1.61 3.76 -1.14 -5.16 115.29 110.44 3kdv s HIS 80 Ca 0.45 0.86 -0.15 0.00 -0.15 0.00 0.00 55.06 56.07 3kdv s HIS 80 Cb -0.10 0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.68 3kdv s HIS 80 CO 0.79 -0.25 0.34 0.00 -0.85 0.00 0.00 174.74 174.78 3kdv s ALA 81 N -0.15 3.58 0.05 -1.40 0.00 -1.26 -2.08 121.76 120.50 3kdv s ALA 81 Ca -0.03 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 51.64 3kdv s ALA 81 Cb -0.03 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 3kdv s ALA 81 CO 0.01 0.13 -0.25 0.71 0.00 0.00 0.00 175.76 176.36 3kdv s TYR 82 N 0.30 2.23 -0.04 0.00 2.02 -0.76 -4.60 117.35 116.51 3kdv s TYR 82 Ca 0.19 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.55 3kdv s TYR 82 Cb -0.14 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 3kdv s TYR 82 CO 0.06 0.12 -0.24 1.03 -1.57 0.00 0.00 175.55 174.95 3kdv s ARG 83 N -1.23 2.32 -0.11 -0.62 0.52 -1.26 -2.27 118.95 116.30 3kdv s ARG 83 Ca 0.11 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3kdv s ARG 83 Cb -0.10 -2.13 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 3kdv s ARG 83 CO 0.02 0.50 1.15 0.50 0.02 0.00 0.00 175.30 177.50 3kdv s ARG 84 N -0.47 4.33 -0.34 3.54 3.52 -1.26 -3.99 118.95 124.29 3kdv s ARG 84 Ca 0.06 1.57 -0.00 0.00 -0.13 0.00 0.00 55.73 57.22 3kdv s ARG 84 Cb -0.11 -3.61 0.13 0.00 -1.56 0.00 0.00 34.95 29.80 3kdv s ARG 84 CO 0.01 -0.50 0.24 1.03 -0.81 0.00 0.00 175.30 175.26 3kdv s ARG 85 N 2.59 0.47 0.66 5.12 1.81 -0.87 -5.03 118.95 123.70 3kdv s ARG 85 Ca 0.52 -0.93 -0.14 0.00 -1.72 0.00 0.00 55.73 53.46 3kdv s ARG 85 Cb -0.21 -1.07 0.00 0.00 -0.45 0.00 0.00 34.95 33.22 3kdv s ARG 85 CO 0.17 -1.15 1.09 -2.00 -0.68 0.00 0.00 175.30 172.74 3kdv s GLU 86 N 1.51 2.83 -0.02 3.54 2.12 -1.26 -3.55 118.70 123.87 3kdv s GLU 86 Ca 0.15 1.30 0.06 0.00 0.36 0.00 0.00 54.97 56.84 3kdv s GLU 86 Cb -0.19 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 3kdv s GLU 86 CO -0.12 -1.21 -0.19 -1.17 -0.54 0.00 0.00 175.26 172.03 3kdv s LEU 87 N -4.98 2.03 -0.22 2.70 0.20 -0.12 -4.98 118.68 113.31 3kdv s LEU 87 Ca 0.65 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 55.07 3kdv s LEU 87 Cb -0.19 -1.00 -0.01 0.00 -0.43 0.00 0.00 46.19 44.56 3kdv s LEU 87 CO 0.43 0.24 -0.01 -1.83 -0.29 0.00 0.00 176.35 174.89 3kdv s GLU 88 N -0.44 3.46 -0.15 1.98 4.04 -1.26 -2.05 118.70 124.28 3kdv s GLU 88 Ca 0.07 -0.58 -0.11 0.00 0.04 0.00 0.00 54.97 54.39 3kdv s GLU 88 Cb -0.08 -3.09 0.05 0.00 0.02 0.00 0.00 34.13 31.03 3kdv s GLU 88 CO -0.01 -0.18 0.38 0.00 -1.84 0.00 0.00 175.26 173.62 3kdv s ALA 89 N 1.46 -0.95 0.01 -0.84 0.00 -1.26 -5.05 121.76 115.14 3kdv s ALA 89 Ca 0.05 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 3kdv s ALA 89 Cb -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3kdv s ALA 89 CO -0.01 -0.22 0.02 0.54 0.00 0.00 0.00 175.76 176.09 3kdv s VAL 90 N 0.81 0.09 -0.23 0.00 0.11 -1.26 -5.23 120.40 114.69 3kdv s VAL 90 Ca -0.05 -0.76 -0.36 0.00 -2.93 0.00 0.00 61.98 57.88 3kdv s VAL 90 Cb -0.06 -0.29 0.15 0.00 -1.53 0.00 0.00 36.38 34.65 3kdv s VAL 90 CO -0.06 -0.42 1.27 -1.81 -3.33 0.00 0.00 175.10 170.76 3kdv s ASP 91 N -1.29 -0.09 0.02 3.54 -0.00 -0.87 -4.96 116.67 113.02 3kdv s ASP 91 Ca -0.14 0.00 0.08 0.00 -0.00 0.00 0.00 52.55 52.50 3kdv s ASP 91 Cb -0.08 0.10 -0.02 0.00 -0.00 0.00 0.00 42.92 42.91 3kdv s ASP 91 CO -0.00 -0.15 -0.25 -0.44 -0.00 0.00 0.00 175.17 174.32 3kdv s SER 92 N -2.10 2.97 -0.10 0.27 0.01 -0.79 -0.95 113.70 113.01 3kdv s SER 92 Ca 0.10 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.79 3kdv s SER 92 Cb -0.01 -0.29 0.05 0.00 0.21 0.00 0.00 66.02 65.98 3kdv s SER 92 CO -0.04 0.26 0.23 -0.13 0.41 0.00 0.00 173.24 173.98 3kdv s ARG 93 N -0.98 0.17 -0.11 12.44 0.52 -1.23 -1.88 118.95 127.87 3kdv s ARG 93 Ca 0.10 0.55 -0.03 0.00 -0.52 0.00 0.00 55.73 55.83 3kdv s ARG 93 Cb -0.10 -0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.22 3kdv s ARG 93 CO 0.01 -0.19 0.01 0.15 0.02 0.00 0.00 175.30 175.30 3kdv s LYS 94 N 1.48 3.27 0.10 3.54 -0.14 -0.68 -2.05 119.74 125.26 3kdv s LYS 94 Ca -0.07 -0.40 -0.25 0.00 -1.36 0.00 0.00 55.97 53.88 3kdv s LYS 94 Cb -0.11 -2.89 0.07 0.00 -1.68 0.00 0.00 37.83 33.22 3kdv s LYS 94 CO -0.08 0.57 0.65 -1.59 -0.76 0.00 0.00 175.35 174.13 3kdv s LYS 96 N -0.50 1.18 0.32 1.68 -2.85 -0.31 -1.85 119.74 117.42 3kdv s LYS 96 Ca 0.09 -0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 3kdv s LYS 96 Cb -0.12 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 36.09 3kdv s LYS 96 CO 0.02 -0.49 1.40 -0.48 0.10 0.00 0.00 175.35 175.90 3kdv s LEU 97 N -2.42 4.38 0.79 2.77 2.34 -1.26 -4.25 118.68 121.03 3kdv s LEU 97 Ca -0.01 2.79 -0.11 0.00 0.06 0.00 0.00 54.13 56.87 3kdv s LEU 97 Cb -0.01 -3.65 0.06 0.00 -0.56 0.00 0.00 46.19 42.04 3kdv s LEU 97 CO -0.08 -0.68 1.09 -2.84 -1.06 0.00 0.00 176.35 172.77 3kdv s PRO 98 N -1.45 2.15 0.18 1.48 0.02 -1.26 -4.97 135.00 131.14 3kdv s PRO 98 Ca 0.53 1.06 0.07 0.00 0.02 0.00 0.00 61.00 62.68 3kdv s PRO 98 Cb -0.42 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 3kdv s PRO 98 CO 0.53 -1.69 -0.14 0.00 -0.33 0.00 0.00 177.00 175.37 3kdv s ALA 99 N -2.94 1.85 0.21 -1.55 0.00 -1.26 -5.02 121.76 113.06 3kdv s ALA 99 Ca 0.61 -1.56 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3kdv s ALA 99 Cb -0.17 -0.08 0.16 0.00 0.00 0.00 0.00 23.12 23.03 3kdv s ALA 99 CO 0.56 0.07 1.79 0.00 0.00 0.00 0.00 175.76 178.18 3kdv h ALA 100 N 2.83 1.03 -0.59 0.00 0.00 -2.04 -3.12 119.26 117.37 3kdv h ALA 100 Ca -0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 3kdv h ALA 100 Cb 1.21 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3kdv h ALA 100 CO 0.59 0.64 0.18 -0.39 0.00 0.00 0.00 179.25 180.27 3kdv h VAL 101 N 1.14 1.24 -2.90 0.00 -1.51 -2.03 -3.45 116.25 108.74 3kdv h VAL 101 Ca 0.27 -0.83 -0.52 0.00 -1.23 0.00 0.00 66.70 64.39 3kdv h VAL 101 Cb 0.19 0.66 0.06 0.00 -2.13 0.00 0.00 31.29 30.06 3kdv h VAL 101 CO -0.03 0.31 0.93 -0.54 -1.23 0.00 0.00 177.57 177.01 3kdv s LYS 102 N -5.40 4.16 0.08 5.19 1.02 -1.18 -4.94 119.74 118.67 3kdv s LYS 102 Ca -0.13 2.50 -0.19 0.00 0.02 0.00 0.00 55.97 58.18 3kdv s LYS 102 Cb 0.13 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 34.26 3kdv s LYS 102 CO 0.81 -0.66 1.50 1.88 -0.92 0.00 0.00 175.35 177.96 3kdv h TYR 103 N 6.27 0.48 -2.52 3.18 -1.99 -1.89 -3.46 116.97 117.03 3kdv h TYR 103 Ca -0.44 -0.09 -0.08 0.00 2.00 0.00 0.00 58.73 60.12 3kdv h TYR 103 Cb 1.21 -0.12 -0.19 0.00 2.00 0.00 0.00 36.73 39.63 3kdv h TYR 103 CO 0.63 0.62 -0.01 -1.12 -0.00 0.00 0.00 178.16 178.28 3kdv s SER 104 N -5.96 -0.44 0.00 3.88 0.01 -1.26 -5.21 113.70 104.71 3kdv s SER 104 Ca -0.14 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.51 3kdv s SER 104 Cb 0.07 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.75 3kdv s SER 104 CO 0.75 -0.57 0.00 0.54 0.41 0.00 0.00 173.24 174.37 3kdv n ARG 105 N 0.95 0.00 -3.24 12.44 3.00 -1.26 -5.09 116.66 123.45 3kdv n ARG 105 Ca -0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.62 3kdv n ARG 105 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.01 3kdv n ARG 105 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3kdv s LYS 108 N -1.09 0.76 -0.04 5.56 3.01 -1.26 -5.09 119.74 121.59 3kdv s LYS 108 Ca 0.00 -0.31 0.06 0.00 -1.01 0.00 0.00 55.97 54.71 3kdv s LYS 108 Cb 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 37.83 36.75 3kdv s LYS 108 CO 0.00 -1.18 -0.22 0.54 0.51 0.00 0.00 175.35 175.00 3kdv s ASN 109 N 1.86 2.67 0.04 2.83 4.22 -1.26 -1.17 114.94 124.13 3kdv s ASN 109 Ca 0.16 -0.44 -0.24 0.00 -2.14 0.00 0.00 52.86 50.20 3kdv s ASN 109 Cb -0.07 -0.62 -0.18 0.00 1.28 0.00 0.00 41.25 41.66 3kdv s ASN 109 CO -0.08 0.22 1.51 0.00 -2.04 0.00 0.00 177.10 176.71 3kdv h THR 110 N 4.99 1.19 -2.30 0.54 1.03 -1.70 -3.35 112.91 113.31 3kdv h THR 110 Ca -0.34 -0.56 0.12 0.00 -0.01 0.00 0.00 66.41 65.62 3kdv h THR 110 Cb 1.16 1.56 -0.14 0.00 -1.07 0.00 0.00 68.15 69.66 3kdv h THR 110 CO 0.47 0.14 0.49 -1.81 -0.01 0.00 0.00 175.52 174.81 3kdv s ASP 111 N -5.43 -0.35 -0.04 0.00 -0.00 -1.24 -0.89 116.67 108.72 3kdv s ASP 111 Ca -0.14 -0.04 0.01 0.00 -0.00 0.00 0.00 52.55 52.37 3kdv s ASP 111 Cb 0.04 0.40 0.02 0.00 -0.00 0.00 0.00 42.92 43.38 3kdv s ASP 111 CO 0.67 -0.66 -0.05 -2.16 -0.00 0.00 0.00 175.17 172.97 3kdv s PRO 112 N -3.15 0.81 -0.21 8.23 0.04 -1.11 -1.68 135.00 137.93 3kdv s PRO 112 Ca 0.06 -0.12 -0.17 0.00 0.04 0.00 0.00 61.00 60.81 3kdv s PRO 112 Cb -0.01 -0.81 -0.04 0.00 0.04 0.00 0.00 34.50 33.69 3kdv s PRO 112 CO -0.08 -0.06 0.46 -1.21 0.04 0.00 0.00 177.00 176.15 3kdv s GLU 113 N 0.81 4.17 -0.50 4.56 8.01 -0.79 -3.32 118.70 131.64 3kdv s GLU 113 Ca -0.11 0.30 0.06 0.00 0.01 0.00 0.00 54.97 55.23 3kdv s GLU 113 Cb -0.14 -3.56 0.22 0.00 -4.31 0.00 0.00 34.13 26.35 3kdv s GLU 113 CO 0.00 -0.12 0.82 0.72 0.01 0.00 0.00 175.26 176.70 3kdv n HIS 114 N 4.71 -3.38 -0.42 1.61 -0.00 -0.95 -1.88 115.22 114.91 3kdv n HIS 114 Ca -0.06 -1.71 0.00 0.00 -0.00 0.00 0.00 57.72 55.95 3kdv n HIS 114 Cb 0.51 1.47 0.00 0.00 -0.00 0.00 0.00 29.99 31.96 3kdv n HIS 114 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 3kdv n VAL 115 N 2.06 0.00 -0.95 1.59 3.14 -1.26 -4.57 118.33 118.34 3kdv n VAL 115 Ca 0.13 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.21 3kdv n VAL 115 Cb 0.60 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.63 3kdv n VAL 115 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kdv s ARG 116 N -1.03 -1.36 0.00 1.45 1.70 -1.26 -2.11 118.95 116.33 3kdv s ARG 116 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 3kdv s ARG 116 Cb 0.00 -1.57 0.00 0.00 -0.57 0.00 0.00 34.95 32.81 3kdv s ARG 116 CO 0.00 -3.82 0.00 -0.85 -1.08 0.00 0.00 175.30 169.55 3kdv n GLU 117 N -4.86 0.00 -2.39 3.89 0.28 -1.26 -4.38 120.64 111.92 3kdv n GLU 117 Ca 0.12 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.69 3kdv n GLU 117 Cb 0.59 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.44 3kdv n GLU 117 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3kdv s LYS 118 N 0.00 3.93 0.41 3.44 -2.85 -1.26 -4.83 119.74 118.58 3kdv s LYS 118 Ca 0.00 1.33 -0.27 0.00 -1.00 0.00 0.00 55.97 56.03 3kdv s LYS 118 Cb 0.00 -3.89 -0.10 0.00 -2.06 0.00 0.00 37.83 31.79 3kdv s LYS 118 CO 0.00 -1.10 1.47 0.00 0.10 0.00 0.00 175.35 175.82 3kdv s ALA 119 N 4.38 3.42 0.50 0.59 0.00 -1.26 -4.82 121.76 124.57 3kdv s ALA 119 Ca 0.58 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 54.06 3kdv s ALA 119 Cb -0.18 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.36 3kdv s ALA 119 CO 0.23 -1.15 0.07 -0.40 0.00 0.00 0.00 175.76 174.51 3kdv n ASP 120 N 0.13 -1.81 0.00 0.00 5.68 -1.26 -4.42 116.55 114.88 3kdv n ASP 120 Ca 0.03 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 3kdv n ASP 120 Cb 0.40 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 39.96 3kdv n ASP 120 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kdv n GLY 121 N 1.60 -0.45 0.28 6.12 0.00 -1.26 -1.90 105.19 109.59 3kdv n GLY 121 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3kdv n GLY 121 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kdv h GLU 122 N 0.00 0.68 0.00 1.61 4.11 -1.98 0.27 114.58 119.27 3kdv h GLU 122 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 3kdv h GLU 122 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3kdv h GLU 122 CO 0.00 0.45 -0.28 0.74 0.07 0.00 0.00 179.01 179.98 3kdv h PHE 123 N 0.70 0.00 -4.22 2.06 -1.00 -1.59 -3.46 116.94 109.43 3kdv h PHE 123 Ca 0.35 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.63 3kdv h PHE 123 Cb 0.30 0.00 0.08 0.00 3.61 0.00 0.00 35.95 39.94 3kdv h PHE 123 CO -0.08 0.28 0.37 -1.21 -1.61 0.00 0.00 178.31 176.07 3kdv s GLU 124 N -4.07 3.10 0.07 1.51 8.01 0.95 -3.30 118.70 124.98 3kdv s GLU 124 Ca -0.02 1.20 -0.33 0.00 0.01 0.00 0.00 54.97 55.83 3kdv s GLU 124 Cb 0.13 -2.00 -0.12 0.00 -4.31 0.00 0.00 34.13 27.83 3kdv s GLU 124 CO 0.67 -0.99 1.77 0.66 0.01 0.00 0.00 175.26 177.38 3kdv n TYR 125 N -2.36 2.42 -1.68 1.61 4.01 -1.19 -4.63 117.16 115.34 3kdv n TYR 125 Ca 0.09 0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.42 3kdv n TYR 125 Cb 0.53 -2.65 -0.01 0.00 -0.31 0.00 0.00 39.34 36.90 3kdv n TYR 125 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3kdv n VAL 126 N 4.42 1.86 -0.49 -0.72 0.24 -1.26 -4.99 118.33 117.39 3kdv n VAL 126 Ca 0.19 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3kdv n VAL 126 Cb 0.32 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 3kdv n VAL 126 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04