#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvv h ALA 2 N 0.00 0.01 -1.70 3.04 0.00 -2.13 -3.48 119.26 114.99 2kvv h ALA 2 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2kvv h ALA 2 Cb 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 17.79 17.59 2kvv h ALA 2 CO 0.00 0.05 0.32 -1.14 0.00 0.00 0.00 179.25 178.48 2kvv s GLN 3 N -1.98 0.55 -0.93 0.00 0.74 -1.26 -5.10 119.66 111.70 2kvv s GLN 3 Ca -0.12 0.78 -0.24 0.00 0.05 0.00 0.00 55.36 55.82 2kvv s GLN 3 Cb -0.01 0.21 -0.02 0.00 1.10 0.00 0.00 33.01 34.28 2kvv s GLN 3 CO 0.41 -0.09 1.82 0.42 -0.55 0.00 0.00 175.29 177.31 2kvv s ILE 4 N 0.79 3.56 -0.07 -2.34 -1.09 -1.26 -4.96 121.20 115.83 2kvv s ILE 4 Ca -0.03 -0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 2kvv s ILE 4 Cb -0.05 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 2kvv s ILE 4 CO -0.10 -1.19 0.26 -0.63 -1.23 0.00 0.00 174.94 172.05 2kvv s ILE 5 N 8.83 5.30 -0.01 2.92 1.01 -1.26 -5.10 121.20 132.89 2kvv s ILE 5 Ca 0.64 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.80 2kvv s ILE 5 Cb -0.05 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2kvv s ILE 5 CO -0.03 0.59 -0.05 -0.36 0.00 0.00 0.00 174.94 175.10 2kvv s PHE 6 N -0.99 2.95 -0.86 3.97 0.08 -1.26 -5.06 117.98 116.82 2kvv s PHE 6 Ca 0.19 0.01 -0.25 0.00 0.12 0.00 0.00 56.93 57.00 2kvv s PHE 6 Cb -0.14 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2kvv s PHE 6 CO 0.08 0.39 1.61 -0.80 -0.10 0.00 0.00 175.22 176.40 2kvv s ASN 7 N -1.34 5.87 -0.29 1.36 -0.87 -1.26 -4.83 114.94 113.59 2kvv s ASN 7 Ca 0.17 -0.72 0.04 0.00 -1.57 0.00 0.00 52.86 50.78 2kvv s ASN 7 Cb -0.11 -2.56 0.50 0.00 -0.02 0.00 0.00 41.25 39.06 2kvv s ASN 7 CO 0.07 -2.05 1.60 -1.84 -2.57 0.00 0.00 177.10 172.31 2kvv n GLU 8 N 9.04 2.32 -1.05 -0.60 0.28 -1.26 -4.67 120.64 124.70 2kvv n GLU 8 Ca 0.26 -2.17 -0.23 0.00 -0.16 0.00 0.00 57.16 54.85 2kvv n GLU 8 Cb 0.50 -1.89 -0.09 0.00 1.43 0.00 0.00 31.44 31.39 2kvv n GLU 8 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kvv n GLU 9 N -0.42 2.60 -3.19 3.44 -0.58 -1.26 -4.89 120.64 116.35 2kvv n GLU 9 Ca 0.38 -1.48 -0.39 0.00 -0.42 0.00 0.00 57.16 55.24 2kvv n GLU 9 Cb 1.25 -2.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.72 2kvv n GLU 9 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kvv s TRP 10 N 1.82 3.49 -0.02 -0.32 0.52 -1.26 -2.20 118.94 120.97 2kvv s TRP 10 Ca 0.62 0.99 -0.13 0.00 0.02 0.00 0.00 56.10 57.60 2kvv s TRP 10 Cb 0.23 -2.69 0.02 0.00 -1.15 0.00 0.00 33.47 29.87 2kvv s TRP 10 CO -0.03 0.04 0.28 0.00 0.02 0.00 0.00 176.95 177.26 2kvv s MET 11 N 1.05 0.61 1.14 4.98 0.23 -0.92 -4.91 119.30 121.49 2kvv s MET 11 Ca 0.30 -0.18 -0.18 0.00 -1.03 0.00 0.00 55.69 54.60 2kvv s MET 11 Cb -0.16 0.27 0.26 0.00 -1.53 0.00 0.00 34.83 33.67 2kvv s MET 11 CO 0.12 -0.16 1.13 0.14 -2.03 0.00 0.00 175.02 174.22 2kvv s VAL 12 N -1.21 1.71 0.10 5.16 -7.23 -1.26 -0.53 120.40 117.13 2kvv s VAL 12 Ca -0.13 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.72 2kvv s VAL 12 Cb -0.05 -2.54 -0.14 0.00 0.56 0.00 0.00 36.38 34.21 2kvv s VAL 12 CO 0.03 0.00 1.60 -0.08 -0.31 0.00 0.00 175.10 176.34 2kvv h GLU 13 N -2.36 -0.77 -0.34 4.82 4.81 -2.00 0.18 114.58 118.92 2kvv h GLU 13 Ca -0.47 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 2kvv h GLU 13 Cb 1.30 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 2kvv h GLU 13 CO 0.39 -0.51 0.02 -0.22 -0.73 0.00 0.00 179.01 177.96 2kvv h LYS 14 N -0.80 0.52 -0.30 1.92 3.11 -1.97 -2.22 116.57 116.82 2kvv h LYS 14 Ca -0.03 -0.11 -0.12 0.00 -2.81 0.00 0.00 60.65 57.59 2kvv h LYS 14 Cb 0.73 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 2kvv h LYS 14 CO -0.09 0.54 -0.27 0.00 -2.81 0.00 0.00 179.45 176.82 2kvv h ALA 15 N 1.52 0.44 -0.23 5.00 0.00 -1.85 -3.22 119.26 120.91 2kvv h ALA 15 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kvv h ALA 15 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kvv h ALA 15 CO 0.01 0.44 0.15 1.25 0.00 0.00 0.00 179.25 181.10 2kvv h LEU 16 N 0.47 0.26 -1.74 0.00 7.12 -0.21 -1.27 115.31 119.94 2kvv h LEU 16 Ca 0.05 -0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.09 2kvv h LEU 16 Cb 0.83 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 2kvv h LEU 16 CO 0.07 0.19 0.24 0.00 -0.13 0.00 0.00 178.44 178.81 2kvv h MET 17 N 0.31 0.32 -0.08 1.25 -0.00 -1.49 0.77 114.93 116.01 2kvv h MET 17 Ca 0.08 -0.02 -0.20 0.00 -0.00 0.00 0.00 59.70 59.56 2kvv h MET 17 Cb -0.03 -0.07 0.01 0.00 -0.00 0.00 0.00 31.60 31.51 2kvv h MET 17 CO -0.02 0.21 -0.73 0.28 -0.00 0.00 0.00 176.91 176.65 2kvv h VAL 18 N 0.33 1.33 -0.06 -0.10 2.07 -1.44 0.15 116.25 118.53 2kvv h VAL 18 Ca 0.15 -2.01 -0.13 0.00 0.82 0.00 0.00 66.70 65.53 2kvv h VAL 18 Cb 0.17 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2kvv h VAL 18 CO -0.03 0.62 -0.56 0.03 0.02 0.00 0.00 177.57 177.64 2kvv h ARG 19 N 0.29 0.17 0.01 1.57 2.47 -0.49 -3.29 114.38 115.10 2kvv h ARG 19 Ca -0.07 -0.11 -0.34 0.00 -1.26 0.00 0.00 59.98 58.20 2kvv h ARG 19 Cb 1.39 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.66 2kvv h ARG 19 CO 0.15 0.69 -2.10 0.25 0.56 0.00 0.00 179.97 179.52 2kvv n THR 20 N -3.90 1.50 -0.07 2.04 -2.24 0.20 -5.00 114.28 106.80 2kvv n THR 20 Ca -0.02 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2kvv n THR 20 Cb 0.58 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2kvv n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kvv n GLY 21 N 1.71 0.88 3.97 3.38 0.00 0.44 -5.07 105.19 110.50 2kvv n GLY 21 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 2kvv n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kvv s LEU 22 N 0.00 2.99 0.29 0.99 1.02 -0.74 -4.99 118.68 118.24 2kvv s LEU 22 Ca 0.00 -0.11 0.10 0.00 0.02 0.00 0.00 54.13 54.14 2kvv s LEU 22 Cb 0.00 -2.37 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 2kvv s LEU 22 CO 0.00 -1.75 -0.07 -0.83 0.02 0.00 0.00 176.35 173.72 2kvv s GLY 23 N -4.65 1.83 0.26 -3.19 0.00 -1.26 -4.54 107.32 95.77 2kvv s GLY 23 Ca 0.64 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 2kvv s GLY 23 CO 0.44 -1.85 1.76 0.00 0.00 0.00 0.00 173.10 173.45 2kvv h ALA 24 N 2.01 1.25 -0.61 3.20 0.00 -1.97 -1.37 119.26 121.76 2kvv h ALA 24 Ca -0.42 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2kvv h ALA 24 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kvv h ALA 24 CO 0.62 -0.10 0.28 -0.09 0.00 0.00 0.00 179.25 179.95 2kvv h ARG 25 N 0.60 0.89 -0.27 0.00 2.43 -1.99 -0.80 114.38 115.24 2kvv h ARG 25 Ca 0.46 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.36 2kvv h ARG 25 Cb 0.65 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2kvv h ARG 25 CO -0.37 0.72 -0.34 0.37 -1.51 0.00 0.00 179.97 178.85 2kvv h GLN 26 N 0.84 0.60 -0.26 0.20 4.15 -1.70 -1.94 115.11 117.00 2kvv h GLN 26 Ca 0.21 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 2kvv h GLN 26 Cb 0.14 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2kvv h GLN 26 CO -0.02 0.86 -0.20 0.82 -1.93 0.00 0.00 178.83 178.35 2kvv h ILE 27 N 0.51 1.31 -0.72 2.39 2.04 -1.07 -1.76 117.51 120.21 2kvv h ILE 27 Ca 0.05 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 2kvv h ILE 27 Cb 0.83 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2kvv h ILE 27 CO 0.07 0.42 0.27 1.05 0.00 0.00 0.00 178.15 179.96 2kvv h GLU 28 N 0.31 1.07 -0.94 2.37 4.11 -1.08 0.14 114.58 120.57 2kvv h GLU 28 Ca 0.05 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2kvv h GLU 28 Cb 0.75 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2kvv h GLU 28 CO 0.05 0.89 0.60 1.03 0.07 0.00 0.00 179.01 181.65 2kvv h SER 29 N 1.05 1.10 -0.15 3.06 0.87 -1.30 -1.37 113.55 116.80 2kvv h SER 29 Ca 0.24 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2kvv h SER 29 Cb 0.23 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2kvv h SER 29 CO -0.02 0.82 -0.15 1.88 -0.53 0.00 0.00 176.83 178.83 2kvv h TYR 30 N 1.28 0.59 0.00 2.24 0.05 -0.46 -2.40 116.97 118.27 2kvv h TYR 30 Ca 0.34 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 2kvv h TYR 30 Cb -0.11 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 2kvv h TYR 30 CO -0.00 0.67 -0.05 0.00 -1.05 0.00 0.00 178.16 177.72 2kvv h ARG 31 N 0.49 0.00 -0.43 4.88 3.08 0.02 0.69 114.38 123.12 2kvv h ARG 31 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2kvv h ARG 31 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2kvv h ARG 31 CO 0.03 0.05 0.00 1.04 -1.07 0.00 0.00 179.97 180.03 2kvv n GLN 32 N -3.21 1.61 0.00 0.04 6.02 -0.59 -4.68 117.38 116.57 2kvv n GLN 32 Ca -0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 2kvv n GLN 32 Cb 0.29 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2kvv n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kvv n GLY 33 N 0.57 -1.50 0.11 1.08 0.00 0.25 -5.04 105.19 100.67 2kvv n GLY 33 Ca 0.06 0.48 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 2kvv n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvv h ALA 34 N 1.08 0.19 -1.61 4.61 0.00 -0.01 -3.43 119.26 120.09 2kvv h ALA 34 Ca 0.00 -0.84 -0.53 0.00 0.00 0.00 0.00 54.91 53.53 2kvv h ALA 34 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2kvv h ALA 34 CO 0.00 0.96 1.25 -1.58 0.00 0.00 0.00 179.25 179.88 2kvv s TRP 35 N -2.80 1.90 -0.20 0.00 0.23 0.06 -4.92 118.94 113.22 2kvv s TRP 35 Ca -0.04 0.64 -0.09 0.00 -2.03 0.00 0.00 56.10 54.59 2kvv s TRP 35 Cb 0.08 -4.20 -0.04 0.00 0.03 0.00 0.00 33.47 29.33 2kvv s TRP 35 CO 0.87 -2.35 0.10 0.42 0.96 0.00 0.00 176.95 176.95 2kvv s ILE 36 N 7.54 5.06 0.21 2.03 1.01 -1.26 -4.70 121.20 131.09 2kvv s ILE 36 Ca 0.65 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 61.06 2kvv s ILE 36 Cb -0.14 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 2kvv s ILE 36 CO 0.25 0.44 1.50 -0.70 0.00 0.00 0.00 174.94 176.43 2kvv s GLU 37 N 0.46 4.24 0.00 2.79 2.12 -1.26 -1.37 118.70 125.68 2kvv s GLU 37 Ca 0.05 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.71 2kvv s GLU 37 Cb -0.12 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2kvv s GLU 37 CO -0.00 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2kvv n GLY 38 N 2.92 3.06 0.20 -1.50 0.00 0.11 -4.83 105.19 105.15 2kvv n GLY 38 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2kvv n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kvv n VAL 39 N -1.03 0.00 0.77 1.61 0.31 -0.92 -4.77 118.33 114.30 2kvv n VAL 39 Ca 0.00 0.38 0.13 0.00 -0.01 0.00 0.00 64.34 64.83 2kvv n VAL 39 Cb 0.00 -1.37 0.32 0.00 -0.91 0.00 0.00 33.84 31.88 2kvv n VAL 39 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2kvv n HIS 40 N -2.45 0.38 -3.85 3.52 8.25 -0.47 -4.94 115.22 115.67 2kvv n HIS 40 Ca 0.00 0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.50 2kvv n HIS 40 Cb 0.00 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 30.51 2kvv n HIS 40 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2kvv s PHE 41 N -3.08 -0.15 0.24 4.41 -0.12 -1.20 -1.31 117.98 116.77 2kvv s PHE 41 Ca 0.10 -0.29 -0.01 0.00 -0.05 0.00 0.00 56.93 56.68 2kvv s PHE 41 Cb 0.15 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.15 2kvv s PHE 41 CO 0.66 -1.18 0.22 -1.59 -0.05 0.00 0.00 175.22 173.27 2kvv s LYS 42 N -3.92 1.38 -0.37 1.99 -2.85 -1.11 0.05 119.74 114.91 2kvv s LYS 42 Ca 0.12 -1.66 -0.10 0.00 -1.00 0.00 0.00 55.97 53.33 2kvv s LYS 42 Cb -0.05 0.32 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2kvv s LYS 42 CO 0.06 -0.49 0.19 1.03 0.10 0.00 0.00 175.35 176.24 2kvv s ARG 43 N -3.95 2.77 -0.38 1.78 1.81 -1.26 -2.58 118.95 117.14 2kvv s ARG 43 Ca 0.37 -1.12 -0.08 0.00 -1.72 0.00 0.00 55.73 53.18 2kvv s ARG 43 Cb 0.05 -3.69 0.05 0.00 -0.45 0.00 0.00 34.95 30.91 2kvv s ARG 43 CO 0.15 -0.71 0.18 0.08 -0.68 0.00 0.00 175.30 174.32 2kvv s VAL 44 N 1.52 4.07 0.25 3.52 1.01 0.30 -4.92 120.40 126.15 2kvv s VAL 44 Ca 0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 2kvv s VAL 44 Cb -0.19 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 2kvv s VAL 44 CO 0.06 -0.32 0.60 -0.44 0.00 0.00 0.00 175.10 175.00 2kvv s SER 45 N 1.69 6.68 0.00 3.32 0.01 -1.26 0.04 113.70 124.17 2kvv s SER 45 Ca 0.01 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2kvv s SER 45 Cb -0.21 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2kvv s SER 45 CO 0.03 -0.10 0.40 -2.65 0.41 0.00 0.00 173.24 171.33 2kvv n PRO 46 N -0.17 0.50 -3.72 12.44 -0.02 -1.26 -4.74 135.00 138.03 2kvv n PRO 46 Ca 0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 2kvv n PRO 46 Cb 0.53 -1.25 0.02 0.00 -0.02 0.00 0.00 33.50 32.78 2kvv n PRO 46 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kvv n SER 47 N 0.55 -2.13 0.07 2.55 2.88 -1.26 -5.06 113.62 111.22 2kvv n SER 47 Ca 0.00 -2.59 0.08 0.00 -1.33 0.00 0.00 58.87 55.03 2kvv n SER 47 Cb 0.20 3.58 -0.04 0.00 -0.75 0.00 0.00 64.21 67.20 2kvv n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kvv n GLY 48 N -0.53 -1.35 4.00 0.46 0.00 -1.26 -4.97 105.19 101.54 2kvv n GLY 48 Ca -0.08 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 2kvv n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kvv s GLU 49 N -3.25 1.56 -0.36 1.61 2.02 -1.26 -5.03 118.70 114.00 2kvv s GLU 49 Ca -0.02 -1.19 -0.29 0.00 0.02 0.00 0.00 54.97 53.49 2kvv s GLU 49 Cb 0.10 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 32.01 2kvv s GLU 49 CO 0.81 -1.54 1.42 -1.59 0.02 0.00 0.00 175.26 174.38 2kvv s LYS 50 N -5.18 3.67 0.01 1.61 -2.85 -1.26 -4.93 119.74 110.81 2kvv s LYS 50 Ca 0.67 1.11 0.02 0.00 -1.00 0.00 0.00 55.97 56.78 2kvv s LYS 50 Cb -0.04 -3.99 -0.01 0.00 -2.06 0.00 0.00 37.83 31.72 2kvv s LYS 50 CO 0.45 -1.44 -0.08 0.95 0.10 0.00 0.00 175.35 175.34 2kvv s THR 51 N 5.19 0.60 -1.36 3.79 -4.23 -1.26 -5.02 115.64 113.35 2kvv s THR 51 Ca 0.62 -0.53 0.30 0.00 -1.18 0.00 0.00 61.69 60.89 2kvv s THR 51 Cb -0.16 -0.55 0.47 0.00 1.34 0.00 0.00 72.50 73.61 2kvv s THR 51 CO 0.30 0.03 2.03 0.18 -0.54 0.00 0.00 174.62 176.61 2kvv n LEU 52 N 2.50 0.02 -0.14 4.79 7.99 -1.26 -2.86 117.00 128.04 2kvv n LEU 52 Ca -0.16 0.31 0.03 0.00 -0.01 0.00 0.00 56.01 56.19 2kvv n LEU 52 Cb 0.57 -0.32 0.15 0.00 -0.11 0.00 0.00 43.42 43.71 2kvv n LEU 52 CO 0.24 0.00 0.60 0.54 -1.51 0.00 0.00 177.39 177.26 2kvv n ARG 53 N -1.31 1.18 -1.93 3.23 5.12 -1.26 -4.89 116.66 116.80 2kvv n ARG 53 Ca 0.13 -0.28 -0.43 0.00 -1.93 0.00 0.00 57.85 55.34 2kvv n ARG 53 Cb 0.26 -1.12 -0.03 0.00 -1.16 0.00 0.00 32.46 30.41 2kvv n ARG 53 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2kvv s GLY 54 N -1.13 1.06 0.25 -0.13 0.00 -1.13 -4.68 107.32 101.55 2kvv s GLY 54 Ca 0.11 0.64 -0.30 0.00 0.00 0.00 0.00 44.72 45.17 2kvv s GLY 54 CO 0.08 3.27 1.38 -1.59 0.00 0.00 0.00 173.10 176.24 2kvv s THR 55 N 5.91 2.82 -0.26 0.90 2.01 0.11 -4.54 115.64 122.59 2kvv s THR 55 Ca 0.81 0.71 -0.18 0.00 0.31 0.00 0.00 61.69 63.34 2kvv s THR 55 Cb -0.29 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2kvv s THR 55 CO 0.33 0.12 0.50 -0.89 -0.69 0.00 0.00 174.62 173.99 2kvv s THR 56 N -0.19 5.08 -0.23 -0.82 2.01 -1.26 -0.54 115.64 119.69 2kvv s THR 56 Ca 0.57 0.85 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 2kvv s THR 56 Cb -0.40 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2kvv s THR 56 CO 0.44 0.09 0.10 0.26 -0.69 0.00 0.00 174.62 174.81 2kvv s TRP 57 N 2.29 3.18 0.17 4.92 0.52 -1.06 -4.22 118.94 124.73 2kvv s TRP 57 Ca 0.21 -0.11 -0.05 0.00 0.02 0.00 0.00 56.10 56.17 2kvv s TRP 57 Cb -0.16 -2.21 -0.05 0.00 -1.15 0.00 0.00 33.47 29.90 2kvv s TRP 57 CO 0.09 -0.12 0.40 0.71 0.02 0.00 0.00 176.95 178.05 2kvv s TYR 58 N 1.19 3.47 -0.40 -1.98 2.02 0.31 -2.75 117.35 119.21 2kvv s TYR 58 Ca 0.05 0.56 -0.20 0.00 -0.37 0.00 0.00 57.07 57.11 2kvv s TYR 58 Cb -0.14 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2kvv s TYR 58 CO 0.04 0.40 0.60 -0.80 -1.57 0.00 0.00 175.55 174.21 2kvv s ASN 59 N -2.57 6.33 0.13 2.29 0.01 -0.43 -2.15 114.94 118.55 2kvv s ASN 59 Ca 0.41 -0.19 -0.20 0.00 -0.71 0.00 0.00 52.86 52.17 2kvv s ASN 59 Cb -0.12 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 2kvv s ASN 59 CO 0.25 -0.65 1.70 0.22 -1.51 0.00 0.00 177.10 177.11 2kvv h TYR 60 N 8.68 -0.11 -0.88 2.20 3.20 -1.78 -2.04 116.97 126.23 2kvv h TYR 60 Ca -0.26 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.71 2kvv h TYR 60 Cb 1.11 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 2kvv h TYR 60 CO 0.72 -0.09 0.53 -1.35 -1.64 0.00 0.00 178.16 176.34 2kvv h PRO 61 N -0.01 0.88 -0.44 1.82 0.11 -1.94 -0.20 132.00 132.22 2kvv h PRO 61 Ca 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2kvv h PRO 61 Cb 0.15 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2kvv h PRO 61 CO -0.19 0.59 0.23 0.93 -0.21 0.00 0.00 178.00 179.34 2kvv h GLU 62 N 0.91 0.63 -0.09 1.05 4.39 -1.86 -1.56 114.58 118.04 2kvv h GLU 62 Ca 0.41 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.00 2kvv h GLU 62 Cb 0.32 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kvv h GLU 62 CO -0.23 0.52 -0.07 0.82 -1.16 0.00 0.00 179.01 178.90 2kvv h ILE 63 N 0.57 1.34 -0.25 3.13 2.04 -0.81 -1.83 117.51 121.70 2kvv h ILE 63 Ca 0.15 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.87 2kvv h ILE 63 Cb 0.09 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2kvv h ILE 63 CO -0.02 0.33 0.17 0.78 0.00 0.00 0.00 178.15 179.41 2kvv h ASN 64 N -0.18 0.22 -0.49 1.72 4.21 -1.08 0.73 115.58 120.72 2kvv h ASN 64 Ca 0.02 -0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.46 2kvv h ASN 64 Cb 0.55 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2kvv h ASN 64 CO 0.02 0.15 0.04 0.50 -1.29 0.00 0.00 177.43 176.86 2kvv h LYS 65 N 0.26 0.83 0.39 0.81 3.11 -1.05 -0.86 116.57 120.06 2kvv h LYS 65 Ca 0.10 -0.24 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2kvv h LYS 65 Cb 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2kvv h LYS 65 CO -0.02 0.85 -0.19 0.35 -2.81 0.00 0.00 179.45 177.64 2kvv h PHE 66 N 0.70 -0.48 -0.80 1.91 3.57 -0.41 -3.08 116.94 118.34 2kvv h PHE 66 Ca 0.14 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.81 2kvv h PHE 66 Cb 0.45 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2kvv h PHE 66 CO 0.03 -0.18 0.54 0.82 -2.23 0.00 0.00 178.31 177.29 2kvv h ILE 67 N -0.76 0.74 -0.94 1.41 2.04 -0.92 -0.40 117.51 118.69 2kvv h ILE 67 Ca -0.05 -0.13 0.26 0.00 1.00 0.00 0.00 64.86 65.94 2kvv h ILE 67 Cb 0.52 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2kvv h ILE 67 CO 0.09 0.07 0.66 -0.09 0.00 0.00 0.00 178.15 178.88 2kvv h ARG 68 N 0.38 0.10 -0.84 2.37 2.43 -1.05 -0.33 114.38 117.44 2kvv h ARG 68 Ca 0.40 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.58 2kvv h ARG 68 Cb 1.00 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 2kvv h ARG 68 CO -0.13 0.07 0.55 0.22 -1.51 0.00 0.00 179.97 179.17 2kvv h ASP 69 N 0.11 0.96 0.06 -3.80 1.82 -1.16 0.19 116.42 114.60 2kvv h ASP 69 Ca 0.46 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.89 2kvv h ASP 69 Cb 1.66 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.43 2kvv h ASP 69 CO -0.06 0.69 -0.68 0.28 -1.61 0.00 0.00 179.24 177.86 2kvv h SER 70 N 1.13 0.66 -0.41 2.28 0.02 -1.22 -3.15 113.55 112.87 2kvv h SER 70 Ca 0.31 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 2kvv h SER 70 Cb -0.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 2kvv h SER 70 CO -0.07 1.16 0.05 -0.07 -1.14 0.00 0.00 176.83 176.75 2kvv h LEU 71 N 0.41 0.67 -5.12 5.07 4.07 -1.24 -3.18 115.31 115.99 2kvv h LEU 71 Ca -0.02 -0.28 -0.67 0.00 0.08 0.00 0.00 57.88 56.99 2kvv h LEU 71 Cb 1.26 -0.18 0.02 0.00 1.08 0.00 0.00 40.66 42.84 2kvv h LEU 71 CO 0.13 0.78 3.78 -0.62 -1.08 0.00 0.00 178.44 181.42 2kvv n GLU 72 N -4.49 3.60 -1.44 1.13 -0.58 0.65 -4.94 120.64 114.57 2kvv n GLU 72 Ca -0.01 -2.24 -0.49 0.00 -0.42 0.00 0.00 57.16 54.00 2kvv n GLU 72 Cb 0.25 -2.86 -0.09 0.00 -0.57 0.00 0.00 31.44 28.18 2kvv n GLU 72 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kvv n HIS 73 N 3.88 1.32 -4.26 -0.32 1.44 -1.20 -4.88 115.22 111.21 2kvv n HIS 73 Ca 0.76 0.36 -0.20 0.00 -2.01 0.00 0.00 57.72 56.62 2kvv n HIS 73 Cb 0.25 -2.48 -0.16 0.00 0.12 0.00 0.00 29.99 27.72 2kvv n HIS 73 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kvv s HIS 74 N 8.05 0.85 -0.83 -1.40 -3.43 -1.26 -5.08 115.29 112.19 2kvv s HIS 74 Ca 1.15 -0.25 -0.25 0.00 -0.80 0.00 0.00 55.06 54.91 2kvv s HIS 74 Cb -0.95 -0.70 -0.09 0.00 -1.43 0.00 0.00 32.58 29.41 2kvv s HIS 74 CO 0.49 -0.18 2.19 -1.58 -2.00 0.00 0.00 174.74 173.66 2kvv s HIS 75 N 0.73 1.45 -0.13 0.38 2.46 -1.26 -4.73 115.29 114.18 2kvv s HIS 75 Ca -0.11 1.35 0.18 0.00 0.47 0.00 0.00 55.06 56.95 2kvv s HIS 75 Cb -0.13 -3.72 -0.14 0.00 -0.13 0.00 0.00 32.58 28.45 2kvv s HIS 75 CO 0.01 -1.67 0.77 -2.39 -2.47 0.00 0.00 174.74 168.98 2kvv n HIS 76 N 16.41 0.85 -3.76 3.88 1.44 -1.26 -4.82 115.22 127.96 2kvv n HIS 76 Ca 0.43 0.28 -0.37 0.00 -2.01 0.00 0.00 57.72 56.05 2kvv n HIS 76 Cb 0.45 -1.03 -0.13 0.00 0.12 0.00 0.00 29.99 29.41 2kvv n HIS 76 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvv s HIS 77 N -2.98 3.11 -2.00 -1.40 5.04 -1.26 -5.36 115.29 110.43 2kvv s HIS 77 Ca -0.04 -0.71 0.27 0.00 -1.54 0.00 0.00 55.06 53.05 2kvv s HIS 77 Cb 0.09 -2.24 1.61 0.00 0.04 0.00 0.00 32.58 32.08 2kvv s HIS 77 CO 0.82 -0.47 1.96 -2.39 -2.34 0.00 0.00 174.74 172.31