#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdv h PRO -2 N 0.00 0.41 -4.83 -0.67 0.11 -2.10 -3.36 132.00 121.57 3kdv h PRO -2 Ca 0.00 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.48 3kdv h PRO -2 Cb 0.00 -0.09 -0.35 0.00 0.11 0.00 0.00 31.00 30.67 3kdv h PRO -2 CO 0.00 0.27 -0.84 -0.59 -0.21 0.00 0.00 178.00 176.63 3kdv s PHE -1 N -5.88 2.13 -0.20 0.65 -0.12 -1.26 -5.22 117.98 108.09 3kdv s PHE -1 Ca -0.11 -1.04 -0.05 0.00 -0.05 0.00 0.00 56.93 55.68 3kdv s PHE -1 Cb 0.25 -1.52 0.10 0.00 -0.63 0.00 0.00 43.02 41.23 3kdv s PHE -1 CO 0.78 -0.52 0.35 0.95 -0.05 0.00 0.00 175.22 176.73 3kdv s THR 0 N 0.99 -0.55 0.17 -4.49 -4.23 -1.26 -5.23 115.64 101.04 3kdv s THR 0 Ca -0.06 0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.34 3kdv s THR 0 Cb -0.15 -0.66 0.05 0.00 1.34 0.00 0.00 72.50 73.08 3kdv s THR 0 CO -0.02 -0.01 0.55 -0.76 -0.54 0.00 0.00 174.62 173.84 3kdv s LEU 2 N 2.52 -0.17 -0.06 4.79 1.02 0.10 -4.39 118.68 122.49 3kdv s LEU 2 Ca 0.05 -0.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.92 3kdv s LEU 2 Cb -0.13 2.33 0.04 0.00 0.02 0.00 0.00 46.19 48.45 3kdv s LEU 2 CO -0.13 -1.00 0.12 -1.00 0.02 0.00 0.00 176.35 174.36 3kdv s HIS 3 N -3.81 -0.11 -0.14 0.29 3.76 -1.26 -0.62 115.29 113.39 3kdv s HIS 3 Ca 0.04 0.43 0.02 0.00 -0.15 0.00 0.00 55.06 55.40 3kdv s HIS 3 Cb -0.01 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.50 3kdv s HIS 3 CO -0.08 -0.18 -0.19 -1.50 -0.85 0.00 0.00 174.74 171.94 3kdv s ILE 4 N 1.49 2.34 -0.32 0.60 2.07 -0.91 -4.96 121.20 121.51 3kdv s ILE 4 Ca -0.05 -0.89 -0.20 0.00 -1.41 0.00 0.00 60.65 58.09 3kdv s ILE 4 Cb -0.12 -1.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.51 3kdv s ILE 4 CO -0.05 0.54 0.64 -0.70 -1.91 0.00 0.00 174.94 173.45 3kdv s GLU 5 N 0.71 3.86 0.26 3.50 2.12 -1.26 -1.56 118.70 126.33 3kdv s GLU 5 Ca -0.08 0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.58 3kdv s GLU 5 Cb -0.16 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 3kdv s GLU 5 CO 0.01 -0.61 0.12 -0.06 -0.54 0.00 0.00 175.26 174.18 3kdv s PHE 6 N 2.64 2.93 -0.14 5.30 0.08 -0.68 -4.14 117.98 123.97 3kdv s PHE 6 Ca 0.25 -0.17 -0.02 0.00 0.12 0.00 0.00 56.93 57.12 3kdv s PHE 6 Cb -0.15 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3kdv s PHE 6 CO 0.12 0.54 -0.09 0.42 -0.10 0.00 0.00 175.22 176.11 3kdv s ILE 7 N -2.22 3.37 0.54 0.64 -1.09 0.20 -1.95 121.20 120.68 3kdv s ILE 7 Ca 0.33 -0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 58.15 3kdv s ILE 7 Cb -0.07 -2.45 0.12 0.00 -1.58 0.00 0.00 42.46 38.48 3kdv s ILE 7 CO 0.23 0.51 0.74 0.35 -1.23 0.00 0.00 174.94 175.53 3kdv n THR 8 N 3.60 0.00 0.29 2.92 -2.24 -0.64 -1.98 114.28 116.23 3kdv n THR 8 Ca -0.18 -0.80 0.16 0.00 -2.27 0.00 0.00 64.05 60.97 3kdv n THR 8 Cb 0.52 -1.39 0.85 0.00 -2.10 0.00 0.00 70.33 68.21 3kdv n THR 8 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3kdv h ASP 9 N -0.75 0.00 -0.54 3.42 2.03 -1.83 -1.89 116.42 116.85 3kdv h ASP 9 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 3kdv h ASP 9 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 3kdv h ASP 9 CO 0.21 0.06 0.00 0.18 -1.03 0.00 0.00 179.24 178.65 3kdv n LEU 10 N -3.37 4.82 0.00 0.15 4.77 -1.26 -4.95 117.00 117.16 3kdv n LEU 10 Ca -0.02 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3kdv n LEU 10 Cb 0.21 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3kdv n LEU 10 CO 0.27 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3kdv n GLY 11 N 0.64 0.52 3.76 -0.72 0.00 -0.71 -4.99 105.19 103.68 3kdv n GLY 11 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.37 2.53 -0.42 4.61 0.00 -1.26 -4.56 121.76 120.29 3kdv s ALA 12 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 3kdv s ALA 12 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3kdv s ALA 12 CO 0.00 -1.16 0.48 0.21 0.00 0.00 0.00 175.76 175.30 3kdv s LYS 13 N -3.42 3.16 -0.07 0.00 2.20 -1.26 -1.62 119.74 118.73 3kdv s LYS 13 Ca 0.76 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 3kdv s LYS 13 Cb -0.28 -3.96 0.03 0.00 -1.51 0.00 0.00 37.83 32.11 3kdv s LYS 13 CO 0.33 -0.88 0.04 0.08 -0.36 0.00 0.00 175.35 174.57 3kdv s VAL 14 N 2.30 0.09 -0.16 4.02 1.01 -0.82 -5.02 120.40 121.82 3kdv s VAL 14 Ca 0.15 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 3kdv s VAL 14 Cb -0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 3kdv s VAL 14 CO 0.15 0.14 0.30 -0.89 0.00 0.00 0.00 175.10 174.80 3kdv s THR 15 N 2.09 5.30 -0.20 3.92 2.01 -1.26 -1.68 115.64 125.81 3kdv s THR 15 Ca 0.04 0.57 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 3kdv s THR 15 Cb -0.13 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3kdv s THR 15 CO -0.05 0.38 0.01 -0.69 -0.69 0.00 0.00 174.62 173.58 3kdv s VAL 16 N 0.51 4.01 0.36 3.82 1.01 -0.60 -4.95 120.40 124.56 3kdv s VAL 16 Ca 0.17 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 3kdv s VAL 16 Cb -0.13 -2.82 -0.10 0.00 0.00 0.00 0.00 36.38 33.34 3kdv s VAL 16 CO 0.04 0.42 1.30 -1.81 0.00 0.00 0.00 175.10 175.05 3kdv s ASP 17 N 1.02 6.58 -0.04 3.32 1.01 -1.26 -2.14 116.67 125.16 3kdv s ASP 17 Ca 0.02 2.65 0.01 0.00 0.71 0.00 0.00 52.55 55.94 3kdv s ASP 17 Cb -0.14 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.16 3kdv s ASP 17 CO 0.02 -0.66 -0.04 -0.69 0.21 0.00 0.00 175.17 174.00 3kdv s VAL 18 N -1.21 0.49 0.27 -1.27 1.01 0.21 -4.96 120.40 114.94 3kdv s VAL 18 Ca 0.52 -0.12 0.14 0.00 0.00 0.00 0.00 61.98 62.52 3kdv s VAL 18 Cb -0.38 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.53 3kdv s VAL 18 CO 0.50 0.21 1.71 -0.08 0.00 0.00 0.00 175.10 177.43 3kdv h GLU 19 N 7.04 0.00 -1.49 2.72 4.81 -1.89 0.29 114.58 126.06 3kdv h GLU 19 Ca -0.38 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.10 3kdv h GLU 19 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.35 3kdv h GLU 19 CO 0.48 0.49 0.81 -1.54 -0.73 0.00 0.00 179.01 178.51 3kdv s SER 20 N -6.74 -0.14 0.30 1.04 1.04 -1.26 -4.71 113.70 103.22 3kdv s SER 20 Ca -0.01 -0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.46 3kdv s SER 20 Cb 0.13 0.15 0.78 0.00 0.10 0.00 0.00 66.02 67.17 3kdv s SER 20 CO 0.73 -0.24 1.68 0.00 0.98 0.00 0.00 173.24 176.39 3kdv h ALA 21 N 2.00 1.49 0.00 5.32 0.00 -1.90 -1.02 119.26 125.14 3kdv h ALA 21 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kdv h ALA 21 Cb 1.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kdv h ALA 21 CO 0.23 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 178.68 3kdv n ASP 22 N -5.08 0.49 -0.76 0.00 5.75 -1.26 -2.22 116.55 113.46 3kdv n ASP 22 Ca 0.23 0.68 0.09 0.00 -0.01 0.00 0.00 54.79 55.78 3kdv n ASP 22 Cb 0.71 -0.76 0.10 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.10 1.67 0.07 0.11 5.02 -0.39 -4.63 118.16 117.91 3kdv n LYS 23 Ca 0.00 -1.68 -0.13 0.00 -2.02 0.00 0.00 58.31 54.48 3kdv n LYS 23 Cb 0.11 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 3.52 -0.11 -1.34 -0.35 5.85 -1.51 -2.61 115.31 118.75 3kdv h LEU 24 Ca 0.00 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3kdv h LEU 24 Cb 0.77 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3kdv h LEU 24 CO 0.00 0.10 0.17 -0.07 -0.34 0.00 0.00 178.44 178.30 3kdv h LEU 25 N -0.31 0.56 -0.54 2.25 3.38 -1.82 0.11 115.31 118.94 3kdv h LEU 25 Ca -0.01 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kdv h LEU 25 Cb 0.26 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3kdv h LEU 25 CO 0.02 0.51 0.32 0.44 0.09 0.00 0.00 178.44 179.82 3kdv h ASP 26 N 0.62 0.51 -0.37 -0.43 3.32 -1.83 -0.28 116.42 117.96 3kdv h ASP 26 Ca 0.15 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3kdv h ASP 26 Cb 0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kdv h ASP 26 CO -0.02 0.36 -0.34 0.58 -1.72 0.00 0.00 179.24 178.10 3kdv h VAL 27 N 0.63 1.27 -0.13 -1.35 2.07 -0.96 -0.74 116.25 117.04 3kdv h VAL 27 Ca 0.22 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 66.27 3kdv h VAL 27 Cb 0.04 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3kdv h VAL 27 CO -0.11 0.51 -0.11 1.56 0.02 0.00 0.00 177.57 179.44 3kdv h GLN 28 N 0.76 -0.12 -0.75 1.57 4.20 -0.65 -2.50 115.11 117.62 3kdv h GLN 28 Ca 0.07 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3kdv h GLN 28 Cb 0.92 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3kdv h GLN 28 CO 0.09 -0.08 0.40 0.00 -0.67 0.00 0.00 178.83 178.56 3kdv h ARG 29 N -0.12 1.05 0.50 1.46 3.08 -0.93 0.02 114.38 119.44 3kdv h ARG 29 Ca 0.09 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3kdv h ARG 29 Cb 0.24 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kdv h ARG 29 CO -0.20 0.79 -0.26 0.37 -1.07 0.00 0.00 179.97 179.60 3kdv h GLN 30 N 1.04 -0.67 0.00 0.04 4.15 -0.92 -1.99 115.11 116.75 3kdv h GLN 30 Ca 0.26 0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.60 3kdv h GLN 30 Cb 0.06 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3kdv h GLN 30 CO -0.04 -0.45 -0.58 1.88 -1.93 0.00 0.00 178.83 177.71 3kdv h TYR 31 N -0.70 0.00 -0.68 3.99 0.05 -1.49 -3.08 116.97 115.06 3kdv h TYR 31 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3kdv h TYR 31 Cb 0.55 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 3kdv h TYR 31 CO -0.06 0.58 0.39 0.78 -1.05 0.00 0.00 178.16 178.81 3kdv h GLY 32 N 2.27 0.99 2.00 3.88 0.00 -0.85 -0.75 103.07 110.62 3kdv h GLY 32 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3kdv h GLY 32 CO 0.08 0.41 -0.03 0.07 0.00 0.00 0.00 176.54 177.06 3kdv h ARG 33 N 0.94 0.00 -0.08 4.80 -0.00 -1.27 -1.56 114.38 117.22 3kdv h ARG 33 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.22 3kdv h ARG 33 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.96 3kdv h ARG 33 CO -0.04 0.03 0.00 1.28 -0.00 0.00 0.00 179.97 181.24 3kdv n LEU 34 N -3.54 1.64 0.00 0.08 4.77 -0.33 -4.91 117.00 114.71 3kdv n LEU 34 Ca -0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3kdv n LEU 34 Cb 0.13 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kdv n LEU 34 CO 0.26 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3kdv n GLY 35 N 1.17 0.74 3.75 -0.72 0.00 -0.59 -4.67 105.19 104.87 3kdv n GLY 35 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.11 3.76 0.30 1.61 0.52 -0.96 -4.32 118.94 117.73 3kdv s TRP 36 Ca 0.00 1.78 0.11 0.00 0.02 0.00 0.00 56.10 58.01 3kdv s TRP 36 Cb 0.00 -3.15 -0.05 0.00 -1.15 0.00 0.00 33.47 29.12 3kdv s TRP 36 CO 0.00 -0.11 -0.17 0.95 0.02 0.00 0.00 176.95 177.65 3kdv s THR 37 N -0.92 2.39 -0.10 2.01 -4.23 -0.84 -4.20 115.64 109.76 3kdv s THR 37 Ca 0.44 -2.34 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3kdv s THR 37 Cb -0.29 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.17 3kdv s THR 37 CO 0.36 -0.34 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.47 3kdv s SER 38 N -3.54 2.02 0.24 3.99 0.15 -1.26 -0.63 113.70 114.67 3kdv s SER 38 Ca 0.31 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3kdv s SER 38 Cb -0.03 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 3kdv s SER 38 CO 0.15 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.11 3kdv n GLY 39 N 4.72 -1.37 3.56 9.45 0.00 -1.26 -4.94 105.19 115.35 3kdv n GLY 39 Ca -0.15 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 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 2.04 0.02 1.61 0.41 -1.26 -5.04 118.70 116.49 3kdv s GLU 40 Ca 0.00 -1.10 -0.30 0.00 -0.41 0.00 0.00 54.97 53.16 3kdv s GLU 40 Cb 0.00 -2.24 -0.07 0.00 -1.78 0.00 0.00 34.13 30.04 3kdv s GLU 40 CO 0.00 0.49 1.54 0.08 -0.49 0.00 0.00 175.26 176.88 3kdv s VAL 41 N -1.28 3.39 0.20 2.63 1.01 -1.26 -4.97 120.40 120.12 3kdv s VAL 41 Ca 0.21 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 3kdv s VAL 41 Cb -0.11 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 3kdv s VAL 41 CO 0.13 -0.01 1.39 -2.84 0.00 0.00 0.00 175.10 173.77 3kdv s PRO 42 N 2.71 4.32 0.17 2.72 0.02 -1.26 -4.87 135.00 138.80 3kdv s PRO 42 Ca 0.69 2.18 -0.34 0.00 0.02 0.00 0.00 61.00 63.56 3kdv s PRO 42 Cb -0.35 -3.17 -0.14 0.00 0.02 0.00 0.00 34.50 30.86 3kdv s PRO 42 CO 0.29 -0.37 1.46 1.33 -0.33 0.00 0.00 177.00 179.38 3kdv n VAL 43 N 2.83 0.30 -0.20 3.83 0.24 -1.26 0.13 118.33 124.20 3kdv n VAL 43 Ca 0.08 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kdv n VAL 43 Cb 0.41 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 3kdv n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdv n GLY 44 N 2.84 1.38 0.00 7.63 0.00 -1.26 -4.93 105.19 110.85 3kdv n GLY 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.35 3.75 -0.02 0.00 0.35 -4.64 105.19 102.97 3kdv n GLY 45 Ca 0.00 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.45 2.34 -0.23 1.61 1.51 0.36 -4.66 117.35 115.84 3kdv s TYR 46 Ca 0.00 1.42 -0.01 0.00 -1.01 0.00 0.00 57.07 57.47 3kdv s TYR 46 Cb 0.00 -3.71 0.02 0.00 -0.11 0.00 0.00 41.96 38.17 3kdv s TYR 46 CO 0.00 -2.67 -0.10 -0.65 -1.11 0.00 0.00 175.55 171.02 3kdv s GLN 47 N -2.98 2.87 0.40 -0.62 -0.21 -1.26 -2.79 119.66 115.07 3kdv s GLN 47 Ca 0.72 -0.94 0.07 0.00 0.02 0.00 0.00 55.36 55.23 3kdv s GLN 47 Cb -0.38 -2.87 -0.07 0.00 1.00 0.00 0.00 33.01 30.69 3kdv s GLN 47 CO 0.44 -0.35 0.04 -0.06 -2.12 0.00 0.00 175.29 173.24 3kdv s PHE 48 N 1.31 2.53 0.43 0.91 0.08 -1.17 -5.03 117.98 117.04 3kdv s PHE 48 Ca 0.01 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.20 3kdv s PHE 48 Cb -0.16 -1.78 -0.08 0.00 -0.57 0.00 0.00 43.02 40.43 3kdv s PHE 48 CO -0.07 0.40 1.09 -2.14 -0.10 0.00 0.00 175.22 174.41 3kdv s PRO 49 N -3.75 3.98 0.27 0.24 0.02 -1.26 -1.50 135.00 133.00 3kdv s PRO 49 Ca 0.36 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 3kdv s PRO 49 Cb 0.08 -2.46 0.35 0.00 0.02 0.00 0.00 34.50 32.48 3kdv s PRO 49 CO 0.19 -0.32 1.91 1.25 -0.33 0.00 0.00 177.00 179.70 3kdv h LEU 50 N 2.26 1.01 -1.84 -5.54 5.85 -0.49 -2.55 115.31 114.01 3kdv h LEU 50 Ca -0.49 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 3kdv h LEU 50 Cb 1.23 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3kdv h LEU 50 CO 0.61 0.78 -0.14 -0.33 -0.34 0.00 0.00 178.44 179.02 3kdv h GLU 51 N 1.16 0.00 0.00 1.25 5.08 -1.91 -3.13 114.58 117.03 3kdv h GLU 51 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3kdv h GLU 51 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kdv h GLU 51 CO -0.06 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 3kdv n ASN 52 N -3.90 0.26 -0.21 1.42 4.13 -0.96 -4.31 115.26 111.70 3kdv n ASN 52 Ca -0.02 0.56 -0.08 0.00 1.68 0.00 0.00 54.58 56.72 3kdv n ASN 52 Cb 0.23 -0.62 0.02 0.00 -1.54 0.00 0.00 39.78 37.88 3kdv n ASN 52 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3kdv h GLU 53 N 0.00 0.89 -0.24 3.52 4.22 -1.72 -3.19 114.58 118.05 3kdv h GLU 53 Ca 0.00 -0.18 0.07 0.00 0.08 0.00 0.00 59.36 59.33 3kdv h GLU 53 Cb 0.32 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3kdv h GLU 53 CO 0.00 0.79 0.20 -1.35 -2.18 0.00 0.00 179.01 176.46 3kdv h PRO 54 N 0.81 0.00 -1.95 0.92 0.11 -1.86 -3.30 132.00 126.72 3kdv h PRO 54 Ca 0.19 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.78 3kdv h PRO 54 Cb 0.26 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.01 3kdv h PRO 54 CO -0.01 0.00 -0.97 -0.40 -0.21 0.00 0.00 178.00 176.41 3kdv n ASP 55 N -4.25 -0.57 -4.84 -2.05 5.75 -1.23 -5.12 116.55 104.24 3kdv n ASP 55 Ca 0.03 -2.61 -0.34 0.00 -0.01 0.00 0.00 54.79 51.86 3kdv n ASP 55 Cb 0.34 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 3kdv n ASP 55 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kdv s PHE 56 N -0.39 3.45 -0.77 2.11 5.36 -1.21 -3.31 117.98 123.23 3kdv s PHE 56 Ca 0.34 0.34 -0.20 0.00 -0.96 0.00 0.00 56.93 56.45 3kdv s PHE 56 Cb 0.11 -1.82 0.11 0.00 -0.34 0.00 0.00 43.02 41.07 3kdv s PHE 56 CO -0.15 0.63 0.98 0.34 -1.46 0.00 0.00 175.22 175.55 3kdv s ASP 57 N -1.58 6.39 0.15 6.13 -1.08 -1.09 -4.56 116.67 121.03 3kdv s ASP 57 Ca 0.22 -1.58 0.19 0.00 -0.52 0.00 0.00 52.55 50.86 3kdv s ASP 57 Cb -0.12 -2.38 0.80 0.00 -1.46 0.00 0.00 42.92 39.76 3kdv s ASP 57 CO 0.12 -1.19 1.57 0.79 0.52 0.00 0.00 175.17 176.98 3kdv n TRP 58 N 6.84 0.45 0.30 -5.34 7.02 -1.26 -0.96 117.44 124.49 3kdv n TRP 58 Ca 0.08 0.19 0.13 0.00 -1.02 0.00 0.00 57.50 56.87 3kdv n TRP 58 Cb 0.46 -0.80 0.32 0.00 -2.42 0.00 0.00 31.31 28.88 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 0.00 -0.36 -0.99 4.64 -1.89 0.09 113.55 115.03 3kdv h SER 59 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3kdv h SER 59 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3kdv h SER 59 CO 0.00 0.00 0.43 -0.07 -0.87 0.00 0.00 176.83 176.32 3kdv h LEU 60 N 0.00 0.00 -2.68 5.97 3.38 -1.35 -2.60 115.31 118.02 3kdv h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdv h LEU 60 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3kdv h LEU 60 CO 0.00 0.00 -0.03 2.30 0.09 0.00 0.00 178.44 180.80 3kdv n ILE 61 N -3.61 1.06 -1.85 1.22 -5.35 -1.10 -4.90 119.36 104.82 3kdv n ILE 61 Ca 0.06 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 3kdv n ILE 61 Cb 0.59 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 -0.67 0.93 3.21 3.28 0.00 -0.98 -4.84 105.19 106.11 3kdv n GLY 62 Ca 0.05 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.63 1.46 0.03 4.61 0.00 -0.00 -4.41 121.76 120.82 3kdv s ALA 63 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.00 3kdv s ALA 63 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3kdv s ALA 63 CO 0.00 0.28 -0.19 1.03 0.00 0.00 0.00 175.76 176.89 3kdv s ARG 64 N -1.47 1.29 0.27 0.00 3.00 -0.89 -3.47 118.95 117.69 3kdv s ARG 64 Ca 0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 55.73 54.63 3kdv s ARG 64 Cb -0.09 -1.35 -0.09 0.00 0.00 0.00 0.00 34.95 33.42 3kdv s ARG 64 CO 0.02 0.35 1.05 0.15 0.00 0.00 0.00 175.30 176.87 3kdv s LYS 65 N -1.02 4.68 -0.28 3.54 -0.14 -1.26 -0.93 119.74 124.34 3kdv s LYS 65 Ca 0.06 1.70 -0.08 0.00 -1.36 0.00 0.00 55.97 56.29 3kdv s LYS 65 Cb -0.08 -3.18 0.13 0.00 -1.68 0.00 0.00 37.83 33.02 3kdv s LYS 65 CO 0.01 0.28 0.60 -0.46 -0.76 0.00 0.00 175.35 175.03 3kdv s TRP 66 N -1.19 -1.29 -0.17 3.18 -0.00 -1.26 -4.92 118.94 113.29 3kdv s TRP 66 Ca 0.44 2.08 -0.16 0.00 -0.00 0.00 0.00 56.10 58.46 3kdv s TRP 66 Cb -0.30 0.68 -0.04 0.00 -0.00 0.00 0.00 33.47 33.81 3kdv s TRP 66 CO 0.38 -0.67 0.39 0.95 -0.00 0.00 0.00 176.95 178.00 3kdv s THR 67 N 2.84 5.22 0.75 5.86 -4.23 -1.26 -4.58 115.64 120.24 3kdv s THR 67 Ca -0.01 0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 3kdv s THR 67 Cb -0.13 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.03 3kdv s THR 67 CO -0.18 0.31 1.08 0.54 -0.54 0.00 0.00 174.62 175.82 3kdv s ASN 68 N 0.78 4.86 0.58 3.99 2.20 0.33 -4.84 114.94 122.83 3kdv s ASN 68 Ca 0.20 1.51 0.27 0.00 -0.94 0.00 0.00 52.86 53.91 3kdv s ASN 68 Cb -0.14 -2.31 1.66 0.00 -2.00 0.00 0.00 41.25 38.46 3kdv s ASN 68 CO 0.07 -1.76 2.16 1.55 -2.94 0.00 0.00 177.10 176.19 3kdv h PRO 69 N -0.94 0.00 0.00 3.55 0.13 -1.98 2.34 132.00 135.10 3kdv h PRO 69 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kdv h PRO 69 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3kdv h PRO 69 CO 0.57 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 3kdv n GLU 70 N -3.95 0.03 -0.75 0.86 4.71 -1.26 -4.83 120.64 115.44 3kdv n GLU 70 Ca -0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 3kdv n GLU 70 Cb 0.21 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 3kdv n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kdv n GLY 71 N -0.13 0.67 3.77 0.62 0.00 0.79 -5.02 105.19 105.88 3kdv n GLY 71 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.25 3.95 -0.11 1.61 2.12 -1.20 -4.78 118.70 120.04 3kdv s GLU 72 Ca 0.00 1.98 -0.04 0.00 0.36 0.00 0.00 54.97 57.27 3kdv s GLU 72 Cb 0.00 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 3kdv s GLU 72 CO 0.00 -0.45 0.04 -1.83 -0.54 0.00 0.00 175.26 172.48 3kdv s GLU 73 N -2.33 3.22 -0.12 4.30 4.04 -1.26 -0.51 118.70 126.03 3kdv s GLU 73 Ca 0.58 -0.34 -0.05 0.00 0.04 0.00 0.00 54.97 55.20 3kdv s GLU 73 Cb -0.34 -2.93 0.06 0.00 0.02 0.00 0.00 34.13 30.94 3kdv s GLU 73 CO 0.43 0.66 0.25 0.42 -1.84 0.00 0.00 175.26 175.17 3kdv s ILE 75 N -0.73 -0.31 -0.19 1.83 -1.09 -0.92 -4.48 121.20 115.31 3kdv s ILE 75 Ca 0.12 0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.70 3kdv s ILE 75 Cb -0.12 -0.42 -0.05 0.00 -1.58 0.00 0.00 42.46 40.30 3kdv s ILE 75 CO 0.02 0.11 0.12 -0.76 -1.23 0.00 0.00 174.94 173.20 3kdv s LEU 76 N 2.13 4.18 -0.31 2.97 1.43 -0.10 -1.16 118.68 127.83 3kdv s LEU 76 Ca -0.01 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3kdv s LEU 76 Cb -0.12 -2.08 0.13 0.00 0.03 0.00 0.00 46.19 44.15 3kdv s LEU 76 CO -0.08 0.19 0.24 -2.28 0.23 0.00 0.00 176.35 174.65 3kdv s HIS 77 N 0.28 -0.03 -1.08 0.29 2.46 -0.88 -2.09 115.29 114.24 3kdv s HIS 77 Ca 0.08 -0.67 -0.01 0.00 0.47 0.00 0.00 55.06 54.94 3kdv s HIS 77 Cb -0.11 -0.66 -0.01 0.00 -0.13 0.00 0.00 32.58 31.67 3kdv s HIS 77 CO -0.01 -0.88 0.91 -2.13 -2.47 0.00 0.00 174.74 170.15 3kdv n ARG 78 N 5.02 -5.45 -0.92 2.88 0.63 -1.26 -3.59 116.66 113.97 3kdv n ARG 78 Ca -0.00 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 3kdv n ARG 78 Cb 0.44 -5.57 0.00 0.00 0.45 0.00 0.00 32.46 27.77 3kdv n ARG 78 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kdv n GLY 79 N -1.14 0.46 3.29 5.14 0.00 -1.26 -5.05 105.19 106.63 3kdv n GLY 79 Ca -0.23 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 1.41 0.04 1.61 3.76 -1.24 -5.16 115.29 113.72 3kdv s HIS 80 Ca 0.00 -1.13 0.06 0.00 -0.15 0.00 0.00 55.06 53.84 3kdv s HIS 80 Cb 0.00 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 3kdv s HIS 80 CO 0.00 -0.30 -0.18 0.00 -0.85 0.00 0.00 174.74 173.41 3kdv s ALA 81 N -3.73 1.49 0.09 -1.40 0.00 -1.26 -2.08 121.76 114.87 3kdv s ALA 81 Ca 0.33 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3kdv s ALA 81 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3kdv s ALA 81 CO 0.10 0.31 -0.08 0.71 0.00 0.00 0.00 175.76 176.80 3kdv s TYR 82 N -0.84 0.94 -0.02 0.00 2.02 -0.31 -4.66 117.35 114.49 3kdv s TYR 82 Ca 0.05 -0.77 0.04 0.00 -0.37 0.00 0.00 57.07 56.01 3kdv s TYR 82 Cb -0.08 -0.53 -0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3kdv s TYR 82 CO 0.02 -0.08 -0.13 1.03 -1.57 0.00 0.00 175.55 174.82 3kdv s ARG 83 N -3.23 1.21 0.65 -0.62 3.00 -1.26 -2.16 118.95 116.55 3kdv s ARG 83 Ca 0.07 -0.45 -0.17 0.00 0.00 0.00 0.00 55.73 55.18 3kdv s ARG 83 Cb 0.01 -1.12 -0.00 0.00 0.00 0.00 0.00 34.95 33.83 3kdv s ARG 83 CO -0.02 0.22 1.23 0.50 0.00 0.00 0.00 175.30 177.23 3kdv s ARG 84 N -0.06 2.57 -0.30 3.54 3.52 -1.26 -4.41 118.95 122.55 3kdv s ARG 84 Ca 0.00 1.88 -0.14 0.00 -0.13 0.00 0.00 55.73 57.34 3kdv s ARG 84 Cb -0.08 -1.87 0.16 0.00 -1.56 0.00 0.00 34.95 31.60 3kdv s ARG 84 CO 0.00 -1.53 0.91 1.03 -0.81 0.00 0.00 175.30 174.90 3kdv s ARG 85 N -3.54 0.36 0.94 5.12 1.81 -1.10 -5.00 118.95 117.54 3kdv s ARG 85 Ca 0.78 0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 55.53 3kdv s ARG 85 Cb -0.32 0.53 0.18 0.00 -0.45 0.00 0.00 34.95 34.88 3kdv s ARG 85 CO 0.39 -0.12 1.30 -2.00 -0.68 0.00 0.00 175.30 174.19 3kdv s GLU 86 N 2.51 0.85 0.16 3.54 2.56 -1.26 -2.39 118.70 124.67 3kdv s GLU 86 Ca -0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 54.97 54.38 3kdv s GLU 86 Cb -0.07 -1.86 0.06 0.00 2.00 0.00 0.00 34.13 34.26 3kdv s GLU 86 CO -0.18 -2.29 0.67 -0.48 -0.56 0.00 0.00 175.26 172.43 3kdv s LEU 87 N -5.85 -0.47 -0.30 2.70 2.34 -1.08 -4.89 118.68 111.13 3kdv s LEU 87 Ca 0.72 -0.14 -0.08 0.00 0.06 0.00 0.00 54.13 54.69 3kdv s LEU 87 Cb -0.05 2.54 0.16 0.00 -0.56 0.00 0.00 46.19 48.28 3kdv s LEU 87 CO 0.52 -1.00 0.72 -1.61 -1.06 0.00 0.00 176.35 173.93 3kdv s GLU 88 N -3.69 0.50 -0.01 1.48 0.41 -1.26 -3.79 118.70 112.33 3kdv s GLU 88 Ca 0.04 1.10 0.01 0.00 -0.41 0.00 0.00 54.97 55.71 3kdv s GLU 88 Cb -0.02 0.64 0.00 0.00 -1.78 0.00 0.00 34.13 32.98 3kdv s GLU 88 CO -0.08 -0.32 -0.05 0.14 -0.49 0.00 0.00 175.26 174.46 3kdv s VAL 90 N 2.82 0.42 0.13 2.63 -7.23 -1.26 -5.23 120.40 112.67 3kdv s VAL 90 Ca 0.04 -0.19 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 3kdv s VAL 90 Cb -0.12 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 3kdv s VAL 90 CO -0.19 0.14 0.13 1.51 -0.31 0.00 0.00 175.10 176.38 3kdv s ASP 91 N 0.12 0.22 -0.10 4.85 1.47 -1.25 -4.59 116.67 117.39 3kdv s ASP 91 Ca -0.01 -1.04 -0.04 0.00 1.18 0.00 0.00 52.55 52.64 3kdv s ASP 91 Cb -0.05 0.34 0.05 0.00 -0.34 0.00 0.00 42.92 42.92 3kdv s ASP 91 CO -0.00 -0.77 0.21 -0.55 0.68 0.00 0.00 175.17 174.74 3kdv s SER 92 N -3.00 0.16 -0.02 2.11 0.15 -1.12 -2.64 113.70 109.34 3kdv s SER 92 Ca 0.19 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3kdv s SER 92 Cb 0.06 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3kdv s SER 92 CO -0.01 -0.20 -0.07 -0.13 1.20 0.00 0.00 173.24 174.03 3kdv s ARG 93 N 1.81 0.75 -0.18 5.44 3.00 -1.01 -0.13 118.95 128.63 3kdv s ARG 93 Ca -0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 55.73 55.39 3kdv s ARG 93 Cb -0.11 -0.73 -0.04 0.00 0.00 0.00 0.00 34.95 34.07 3kdv s ARG 93 CO -0.07 0.08 0.08 0.15 0.00 0.00 0.00 175.30 175.54 3kdv s LYS 94 N 0.23 3.98 0.01 3.54 -0.14 0.19 -2.71 119.74 124.84 3kdv s LYS 94 Ca -0.03 -0.30 -0.28 0.00 -1.36 0.00 0.00 55.97 53.99 3kdv s LYS 94 Cb -0.08 -3.25 0.10 0.00 -1.68 0.00 0.00 37.83 32.92 3kdv s LYS 94 CO 0.00 0.32 0.94 -1.59 -0.76 0.00 0.00 175.35 174.26 3kdv s LYS 96 N 0.25 0.84 0.17 1.68 -2.85 -1.13 -2.19 119.74 116.52 3kdv s LYS 96 Ca 0.05 -0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 54.36 3kdv s LYS 96 Cb -0.12 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 3kdv s LYS 96 CO -0.00 -0.38 0.97 -0.48 0.10 0.00 0.00 175.35 175.56 3kdv s LEU 97 N -2.57 4.56 0.07 2.77 2.34 -1.26 -2.92 118.68 121.66 3kdv s LEU 97 Ca 0.07 1.90 -0.31 0.00 0.06 0.00 0.00 54.13 55.85 3kdv s LEU 97 Cb -0.01 -3.60 -0.06 0.00 -0.56 0.00 0.00 46.19 41.96 3kdv s LEU 97 CO -0.06 0.00 1.27 -2.84 -1.06 0.00 0.00 176.35 173.66 3kdv s PRO 98 N -0.54 4.39 0.58 1.48 0.02 -1.26 -4.86 135.00 134.81 3kdv s PRO 98 Ca 0.45 1.87 0.09 0.00 0.02 0.00 0.00 61.00 63.43 3kdv s PRO 98 Cb -0.25 -3.34 0.08 0.00 0.02 0.00 0.00 34.50 31.02 3kdv s PRO 98 CO 0.32 -0.33 0.74 0.00 -0.33 0.00 0.00 177.00 177.39 3kdv s ALA 99 N 1.18 4.69 0.35 -1.55 0.00 -1.26 -5.01 121.76 120.16 3kdv s ALA 99 Ca 0.61 -2.02 0.04 0.00 0.00 0.00 0.00 51.96 50.59 3kdv s ALA 99 Cb -0.32 -1.32 0.65 0.00 0.00 0.00 0.00 23.12 22.13 3kdv s ALA 99 CO 0.29 -0.83 1.94 0.00 0.00 0.00 0.00 175.76 177.16 3kdv h ALA 100 N 0.24 1.47 -2.15 0.00 0.00 -2.08 -3.42 119.26 113.33 3kdv h ALA 100 Ca -0.30 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 53.91 3kdv h ALA 100 Cb 1.29 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3kdv h ALA 100 CO 0.43 0.40 0.71 0.54 0.00 0.00 0.00 179.25 181.33 3kdv s VAL 101 N -5.29 4.72 0.00 0.00 0.11 -1.26 -4.87 120.40 113.82 3kdv s VAL 101 Ca -0.09 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.95 3kdv s VAL 101 Cb 0.16 -4.29 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 3kdv s VAL 101 CO 0.76 -0.12 0.00 2.29 -3.33 0.00 0.00 175.10 174.70 3kdv n LYS 102 N 5.95 0.00 -3.82 1.54 0.00 -1.26 -5.07 118.16 115.50 3kdv n LYS 102 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.29 3kdv n LYS 102 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.38 3kdv n LYS 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3kdv s TYR 103 N -3.14 -0.17 0.00 5.58 5.04 -1.26 -4.88 117.35 118.52 3kdv s TYR 103 Ca 0.00 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 3kdv s TYR 103 Cb 0.00 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.36 3kdv s TYR 103 CO 0.00 -0.13 0.00 -1.13 -1.34 0.00 0.00 175.55 172.95 3kdv n SER 104 N 2.70 0.00 0.00 4.32 3.41 -1.26 -5.25 113.62 117.55 3kdv n SER 104 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3kdv n SER 104 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3kdv n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdv n ALA 107 N 0.00 -0.14 -3.76 7.33 0.00 -1.26 -5.15 120.51 117.53 3kdv n ALA 107 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3kdv n ALA 107 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3kdv n ALA 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kdv s LYS 108 N 0.00 0.67 0.06 0.00 3.01 -1.15 -4.88 119.74 117.46 3kdv s LYS 108 Ca 0.00 -0.21 0.10 0.00 -1.01 0.00 0.00 55.97 54.85 3kdv s LYS 108 Cb 0.00 -1.65 -0.03 0.00 -1.01 0.00 0.00 37.83 35.14 3kdv s LYS 108 CO 0.00 -0.49 -0.26 0.54 0.51 0.00 0.00 175.35 175.64 3kdv s ASN 109 N 1.90 3.20 0.03 2.83 4.22 -1.26 -2.82 114.94 123.04 3kdv s ASN 109 Ca 0.02 -0.62 -0.26 0.00 -2.14 0.00 0.00 52.86 49.86 3kdv s ASN 109 Cb -0.15 -0.28 -0.17 0.00 1.28 0.00 0.00 41.25 41.93 3kdv s ASN 109 CO -0.07 0.24 1.44 0.74 -2.04 0.00 0.00 177.10 177.41 3kdv h THR 110 N 4.15 0.88 -2.76 0.54 2.02 -1.76 -3.12 112.91 112.87 3kdv h THR 110 Ca -0.47 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.27 3kdv h THR 110 Cb 1.15 1.15 -0.13 0.00 -1.74 0.00 0.00 68.15 68.58 3kdv h THR 110 CO 0.43 0.10 0.30 1.51 0.37 0.00 0.00 175.52 178.23 3kdv s ASP 111 N -5.15 -0.50 -0.11 4.18 3.84 -1.25 0.13 116.67 117.81 3kdv s ASP 111 Ca -0.15 0.01 0.02 0.00 -0.00 0.00 0.00 52.55 52.43 3kdv s ASP 111 Cb 0.03 0.53 0.01 0.00 -1.38 0.00 0.00 42.92 42.12 3kdv s ASP 111 CO 0.61 -0.85 -0.16 -2.16 -0.00 0.00 0.00 175.17 172.61 3kdv s PRO 112 N -3.52 2.31 -0.48 2.11 0.04 -1.12 -0.64 135.00 133.71 3kdv s PRO 112 Ca 0.02 -0.60 -0.18 0.00 0.04 0.00 0.00 61.00 60.29 3kdv s PRO 112 Cb -0.01 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.64 3kdv s PRO 112 CO -0.12 -0.05 0.52 -1.21 0.04 0.00 0.00 177.00 176.19 3kdv s GLU 113 N 0.93 3.08 -0.36 4.56 8.01 0.82 -3.04 118.70 132.71 3kdv s GLU 113 Ca -0.07 -0.96 0.07 0.00 0.01 0.00 0.00 54.97 54.01 3kdv s GLU 113 Cb -0.15 -4.07 0.19 0.00 -4.31 0.00 0.00 34.13 25.78 3kdv s GLU 113 CO -0.01 -1.08 0.61 -1.01 0.01 0.00 0.00 175.26 173.78 3kdv s HIS 114 N 2.27 -1.78 -2.14 1.61 4.02 -0.56 -2.80 115.29 115.91 3kdv s HIS 114 Ca 0.12 0.59 0.00 0.00 1.02 0.00 0.00 55.06 56.79 3kdv s HIS 114 Cb -0.20 0.31 0.00 0.00 -1.02 0.00 0.00 32.58 31.67 3kdv s HIS 114 CO 0.11 -1.14 0.00 1.55 1.02 0.00 0.00 174.74 176.28 3kdv n VAL 115 N 4.83 0.00 -4.55 -0.90 3.14 -1.26 -4.64 118.33 114.95 3kdv n VAL 115 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3kdv n VAL 115 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 3kdv n VAL 115 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3kdv n ARG 116 N 0.00 0.00 -4.58 1.45 1.85 -1.26 0.17 116.66 114.28 3kdv n ARG 116 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 3kdv n ARG 116 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 3kdv n ARG 116 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 3kdv s GLU 117 N 0.00 1.75 -0.67 2.89 -1.05 -1.26 -4.78 118.70 115.58 3kdv s GLU 117 Ca 0.00 -1.16 -0.27 0.00 -0.15 0.00 0.00 54.97 53.39 3kdv s GLU 117 Cb 0.00 -2.04 0.02 0.00 -0.44 0.00 0.00 34.13 31.67 3kdv s GLU 117 CO 0.00 0.50 1.38 0.21 0.95 0.00 0.00 175.26 178.30 3kdv s LYS 118 N -1.70 3.16 0.36 -4.83 2.20 -1.26 -4.77 119.74 112.91 3kdv s LYS 118 Ca 0.14 0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.53 3kdv s LYS 118 Cb -0.10 -4.19 -0.10 0.00 -1.51 0.00 0.00 37.83 31.93 3kdv s LYS 118 CO 0.06 -2.16 1.40 0.00 -0.36 0.00 0.00 175.35 174.29 3kdv s ALA 119 N 6.22 3.51 0.00 3.13 0.00 -1.26 -4.92 121.76 128.44 3kdv s ALA 119 Ca 0.44 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3kdv s ALA 119 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3kdv s ALA 119 CO 0.19 -0.88 0.00 -3.47 0.00 0.00 0.00 175.76 171.60 3kdv n ASP 120 N 0.55 0.00 0.33 0.00 -0.08 -1.26 -4.47 116.55 111.62 3kdv n ASP 120 Ca 0.01 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.45 3kdv n ASP 120 Cb 0.41 0.00 0.86 0.00 2.34 0.00 0.00 41.12 44.73 3kdv n ASP 120 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3kdv h GLY 121 N 0.00 0.00 0.07 0.27 0.00 -1.91 1.76 103.07 103.26 3kdv h GLY 121 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3kdv h GLY 121 CO 0.00 0.00 -0.16 -2.09 0.00 0.00 0.00 176.54 174.29 3kdv h GLU 122 N 0.00 -0.07 -0.01 4.80 4.81 -1.98 -0.29 114.58 121.84 3kdv h GLU 122 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kdv h GLU 122 Cb 0.61 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3kdv h GLU 122 CO -0.00 -0.04 -0.05 1.19 -0.73 0.00 0.00 179.01 179.37 3kdv n PHE 123 N -5.36 0.00 -4.00 0.92 3.72 0.60 -4.95 117.46 108.39 3kdv n PHE 123 Ca 0.03 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 3kdv n PHE 123 Cb 0.26 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 3kdv n PHE 123 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kdv s GLU 124 N -2.10 3.04 0.51 -1.08 8.01 -0.12 -2.67 118.70 124.29 3kdv s GLU 124 Ca 0.35 -1.01 -0.23 0.00 0.01 0.00 0.00 54.97 54.09 3kdv s GLU 124 Cb 0.21 -2.65 -0.06 0.00 -4.31 0.00 0.00 34.13 27.32 3kdv s GLU 124 CO 0.37 0.35 1.33 0.71 0.01 0.00 0.00 175.26 178.03 3kdv s TYR 125 N -2.12 2.44 -0.20 1.61 2.02 -1.21 -4.62 117.35 115.27 3kdv s TYR 125 Ca 0.35 1.39 -0.26 0.00 -0.37 0.00 0.00 57.07 58.18 3kdv s TYR 125 Cb -0.08 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.74 3kdv s TYR 125 CO 0.26 -2.62 0.89 0.14 -1.57 0.00 0.00 175.55 172.66 3kdv s VAL 126 N -1.33 4.81 -0.04 0.71 -7.23 -1.26 -4.99 120.40 111.08 3kdv s VAL 126 Ca 0.68 1.73 -0.08 0.00 -1.81 0.00 0.00 61.98 62.50 3kdv s VAL 126 Cb -0.39 -4.18 0.01 0.00 0.56 0.00 0.00 36.38 32.38 3kdv s VAL 126 CO 0.47 -0.05 0.20 0.42 -0.31 0.00 0.00 175.10 175.82 3kdv s THR 127 N 2.60 0.04 0.17 5.32 -4.23 -1.26 -5.17 115.64 113.11 3kdv s THR 127 Ca 0.39 -0.35 -0.23 0.00 -1.18 0.00 0.00 61.69 60.33 3kdv s THR 127 Cb -0.16 -0.40 0.07 0.00 1.34 0.00 0.00 72.50 73.34 3kdv s THR 127 CO 0.10 -0.19 0.61 -0.76 -0.54 0.00 0.00 174.62 173.83 3kdv s LEU 128 N -0.70 -0.53 0.00 4.79 1.43 -1.26 -5.20 118.68 117.20 3kdv s LEU 128 Ca -0.08 -0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3kdv s LEU 128 Cb -0.05 2.60 0.07 0.00 0.03 0.00 0.00 46.19 48.85 3kdv s LEU 128 CO 0.01 -1.00 0.79 0.00 0.23 0.00 0.00 176.35 176.39