#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvv s ALA 2 N 0.00 3.57 -0.71 3.04 0.00 -1.26 -4.97 121.76 121.43 2kvv s ALA 2 Ca 0.00 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 2kvv s ALA 2 Cb 0.00 -3.58 0.08 0.00 0.00 0.00 0.00 23.12 19.62 2kvv s ALA 2 CO 0.00 -0.91 0.99 -0.65 0.00 0.00 0.00 175.76 175.19 2kvv s GLN 3 N 2.46 3.19 -1.11 0.00 -1.52 -1.26 -4.97 119.66 116.46 2kvv s GLN 3 Ca 0.62 -0.99 -0.21 0.00 -1.95 0.00 0.00 55.36 52.82 2kvv s GLN 3 Cb -0.30 -4.36 0.03 0.00 -0.22 0.00 0.00 33.01 28.17 2kvv s GLN 3 CO 0.25 -1.81 1.65 0.42 -0.25 0.00 0.00 175.29 175.54 2kvv s ILE 4 N 3.84 3.90 -0.11 1.08 -1.09 -1.26 -4.97 121.20 122.59 2kvv s ILE 4 Ca 0.24 -1.12 -0.05 0.00 -2.23 0.00 0.00 60.65 57.49 2kvv s ILE 4 Cb -0.15 -4.94 -0.04 0.00 -1.58 0.00 0.00 42.46 35.75 2kvv s ILE 4 CO 0.07 -1.77 0.09 -0.63 -1.23 0.00 0.00 174.94 171.46 2kvv s ILE 5 N 5.85 5.05 -0.09 2.92 1.01 -1.26 -5.11 121.20 129.57 2kvv s ILE 5 Ca 0.53 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.26 2kvv s ILE 5 Cb 0.00 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 2kvv s ILE 5 CO -0.01 0.61 -0.24 -0.36 0.00 0.00 0.00 174.94 174.94 2kvv s PHE 6 N -0.94 2.54 0.00 3.97 0.08 -1.26 -4.91 117.98 117.46 2kvv s PHE 6 Ca 0.14 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.22 2kvv s PHE 6 Cb -0.12 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2kvv s PHE 6 CO 0.03 -0.37 0.00 -1.71 -0.10 0.00 0.00 175.22 173.07 2kvv n ASN 7 N 3.40 0.00 -4.61 1.36 2.85 -1.26 -5.13 115.26 111.87 2kvv n ASN 7 Ca -0.19 0.00 -0.57 0.00 -0.11 0.00 0.00 54.58 53.72 2kvv n ASN 7 Cb 0.53 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.47 2kvv n ASN 7 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2kvv n GLU 8 N -0.41 0.99 -3.59 1.20 0.00 -1.26 -4.94 120.64 112.63 2kvv n GLU 8 Ca 0.00 0.34 -0.40 0.00 0.00 0.00 0.00 57.16 57.10 2kvv n GLU 8 Cb 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 31.44 29.25 2kvv n GLU 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2kvv s GLU 9 N 4.41 2.70 -0.08 3.44 0.41 -1.26 -5.08 118.70 123.25 2kvv s GLU 9 Ca 1.03 -2.23 -0.15 0.00 -0.41 0.00 0.00 54.97 53.21 2kvv s GLU 9 Cb -1.08 -3.92 -0.05 0.00 -1.78 0.00 0.00 34.13 27.30 2kvv s GLU 9 CO 0.63 -1.20 0.39 -1.58 -0.49 0.00 0.00 175.26 173.01 2kvv s TRP 10 N 0.51 3.59 0.03 1.61 0.52 -1.26 -1.76 118.94 122.18 2kvv s TRP 10 Ca 0.13 0.84 -0.24 0.00 0.02 0.00 0.00 56.10 56.85 2kvv s TRP 10 Cb -0.20 -2.37 0.06 0.00 -1.15 0.00 0.00 33.47 29.80 2kvv s TRP 10 CO -0.04 0.39 0.55 0.00 0.02 0.00 0.00 176.95 177.88 2kvv s MET 11 N -0.14 1.04 0.90 4.98 0.23 -0.95 -4.96 119.30 120.40 2kvv s MET 11 Ca 0.22 -0.14 -0.13 0.00 -1.03 0.00 0.00 55.69 54.62 2kvv s MET 11 Cb -0.15 0.48 0.13 0.00 -1.53 0.00 0.00 34.83 33.76 2kvv s MET 11 CO 0.10 -0.37 1.16 0.14 -2.03 0.00 0.00 175.02 174.01 2kvv s VAL 12 N -2.21 1.99 0.18 5.16 -7.23 -1.26 -0.84 120.40 116.19 2kvv s VAL 12 Ca -0.06 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.97 2kvv s VAL 12 Cb -0.01 -2.81 0.08 0.00 0.56 0.00 0.00 36.38 34.20 2kvv s VAL 12 CO 0.00 0.00 1.79 -0.08 -0.31 0.00 0.00 175.10 176.51 2kvv h GLU 13 N -1.43 0.51 -0.78 4.82 4.81 -1.98 0.19 114.58 120.73 2kvv h GLU 13 Ca -0.49 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2kvv h GLU 13 Cb 1.33 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2kvv h GLU 13 CO 0.61 0.34 0.42 -0.22 -0.73 0.00 0.00 179.01 179.43 2kvv h LYS 14 N 0.53 1.08 -0.20 1.92 3.11 -2.00 -1.25 116.57 119.77 2kvv h LYS 14 Ca 0.22 -0.12 -0.19 0.00 -2.81 0.00 0.00 60.65 57.74 2kvv h LYS 14 Cb 0.11 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 2kvv h LYS 14 CO -0.14 0.80 -0.64 0.00 -2.81 0.00 0.00 179.45 176.65 2kvv h ALA 15 N 1.37 0.48 -0.15 5.00 0.00 -1.69 -3.16 119.26 121.10 2kvv h ALA 15 Ca 0.27 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kvv h ALA 15 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kvv h ALA 15 CO -0.04 0.69 0.09 1.25 0.00 0.00 0.00 179.25 181.24 2kvv h LEU 16 N 0.53 0.19 -2.05 0.00 7.12 -0.25 -0.91 115.31 119.94 2kvv h LEU 16 Ca -0.01 -0.07 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 2kvv h LEU 16 Cb 1.24 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.32 2kvv h LEU 16 CO 0.13 0.20 -0.05 0.00 -0.13 0.00 0.00 178.44 178.59 2kvv h MET 17 N 0.15 0.00 0.01 1.25 -0.00 -1.30 0.13 114.93 115.18 2kvv h MET 17 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.73 2kvv h MET 17 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2kvv h MET 17 CO -0.01 0.05 -0.11 0.28 -0.00 0.00 0.00 176.91 177.12 2kvv h VAL 18 N 0.00 1.71 0.00 -0.10 2.07 -1.44 0.46 116.25 118.95 2kvv h VAL 18 Ca -0.00 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.27 2kvv h VAL 18 Cb 0.10 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2kvv h VAL 18 CO 0.01 0.58 -0.15 0.03 0.02 0.00 0.00 177.57 178.06 2kvv h ARG 19 N -0.84 0.00 0.00 1.57 2.47 -0.85 -3.10 114.38 113.64 2kvv h ARG 19 Ca -0.02 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.34 2kvv h ARG 19 Cb 1.02 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.27 2kvv h ARG 19 CO 0.02 0.15 -2.33 0.25 0.56 0.00 0.00 179.97 178.62 2kvv n THR 20 N -3.91 1.42 0.00 2.04 -2.24 0.00 -5.01 114.28 106.59 2kvv n THR 20 Ca -0.02 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2kvv n THR 20 Cb 0.24 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 1.76 1.44 3.74 3.38 0.00 0.11 -5.07 105.19 110.56 2kvv n GLY 21 Ca -0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 2.98 0.26 0.99 1.02 -0.96 -4.92 118.68 118.05 2kvv s LEU 22 Ca 0.00 1.94 0.07 0.00 0.02 0.00 0.00 54.13 56.15 2kvv s LEU 22 Cb 0.00 -4.54 -0.03 0.00 0.02 0.00 0.00 46.19 41.64 2kvv s LEU 22 CO 0.00 -2.35 0.24 -0.83 0.02 0.00 0.00 176.35 173.43 2kvv s GLY 23 N -3.16 1.41 0.26 -3.19 0.00 -1.26 -4.48 107.32 96.90 2kvv s GLY 23 Ca 0.63 -1.41 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 2kvv s GLY 23 CO 0.56 -1.43 1.77 0.00 0.00 0.00 0.00 173.10 174.00 2kvv h ALA 24 N 1.40 1.24 -0.23 3.20 0.00 -1.96 0.25 119.26 123.16 2kvv h ALA 24 Ca -0.49 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2kvv h ALA 24 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kvv h ALA 24 CO 0.60 -0.05 0.16 0.07 0.00 0.00 0.00 179.25 180.03 2kvv h ARG 25 N 0.66 0.21 0.09 0.00 0.11 -1.99 -1.07 114.38 112.39 2kvv h ARG 25 Ca 0.44 -0.01 -0.29 0.00 0.10 0.00 0.00 59.98 60.22 2kvv h ARG 25 Cb 0.58 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.60 2kvv h ARG 25 CO -0.33 0.14 -1.48 0.37 0.10 0.00 0.00 179.97 178.77 2kvv h GLN 26 N 0.22 0.18 0.02 0.08 4.15 -1.40 -3.19 115.11 115.18 2kvv h GLN 26 Ca 0.09 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 2kvv h GLN 26 Cb 0.10 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2kvv h GLN 26 CO -0.02 1.03 -0.01 0.82 -1.93 0.00 0.00 178.83 178.72 2kvv h ILE 27 N 0.05 1.21 -0.05 2.39 2.04 -0.73 -2.70 117.51 119.72 2kvv h ILE 27 Ca -0.21 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2kvv h ILE 27 Cb 1.98 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 2kvv h ILE 27 CO 0.15 0.18 0.08 1.05 0.00 0.00 0.00 178.15 179.61 2kvv h GLU 28 N -0.34 0.00 0.39 2.37 4.11 -1.35 -0.60 114.58 119.16 2kvv h GLU 28 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2kvv h GLU 28 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kvv h GLU 28 CO 0.01 0.00 -0.19 1.03 0.07 0.00 0.00 179.01 179.93 2kvv h SER 29 N 0.00 -0.45 0.40 3.06 0.87 -1.48 -3.26 113.55 112.70 2kvv h SER 29 Ca 0.02 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2kvv h SER 29 Cb 0.19 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2kvv h SER 29 CO -0.00 -0.07 -0.17 1.88 -0.53 0.00 0.00 176.83 177.94 2kvv h TYR 30 N -0.89 0.00 0.00 2.24 0.05 -0.99 -2.08 116.97 115.31 2kvv h TYR 30 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2kvv h TYR 30 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2kvv h TYR 30 CO 0.02 0.17 0.00 0.54 -1.05 0.00 0.00 178.16 177.84 2kvv n ARG 31 N -3.74 0.02 0.30 4.88 1.74 -0.33 -0.68 116.66 118.85 2kvv n ARG 31 Ca -0.02 0.51 0.18 0.00 -0.77 0.00 0.00 57.85 57.75 2kvv n ARG 31 Cb 0.28 -1.57 0.94 0.00 -1.02 0.00 0.00 32.46 31.08 2kvv n ARG 31 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 2kvv h GLN 32 N 0.00 0.00 0.00 5.56 3.07 -1.50 -3.43 115.11 118.81 2kvv h GLN 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kvv h GLN 32 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2kvv h GLN 32 CO 0.00 0.04 0.00 0.41 0.09 0.00 0.00 178.83 179.37 2kvv n GLY 33 N -0.81 0.00 0.16 0.06 0.00 -0.89 -5.00 105.19 98.71 2kvv n GLY 33 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.16 -1.65 4.61 0.00 -1.17 -3.41 119.26 118.80 2kvv h ALA 34 Ca 0.00 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 2kvv h ALA 34 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2kvv h ALA 34 CO 0.00 0.62 1.23 -1.58 0.00 0.00 0.00 179.25 179.52 2kvv s TRP 35 N -3.91 1.97 -0.24 0.00 0.23 -1.18 -4.98 118.94 110.82 2kvv s TRP 35 Ca -0.02 0.63 -0.22 0.00 -2.03 0.00 0.00 56.10 54.45 2kvv s TRP 35 Cb 0.13 -4.22 -0.01 0.00 0.03 0.00 0.00 33.47 29.40 2kvv s TRP 35 CO 0.75 -2.34 0.72 0.42 0.96 0.00 0.00 176.95 177.46 2kvv s ILE 36 N 7.20 4.92 0.58 2.03 1.01 -1.26 -5.01 121.20 130.67 2kvv s ILE 36 Ca 0.65 1.33 -0.20 0.00 0.00 0.00 0.00 60.65 62.43 2kvv s ILE 36 Cb -0.15 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 2kvv s ILE 36 CO 0.26 -0.01 1.33 -1.83 0.00 0.00 0.00 174.94 174.70 2kvv s GLU 37 N 2.61 2.93 0.00 2.79 -1.05 -1.26 -1.00 118.70 123.72 2kvv s GLU 37 Ca 0.30 2.17 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 2kvv s GLU 37 Cb -0.15 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 2kvv s GLU 37 CO 0.08 -1.34 0.00 0.41 0.95 0.00 0.00 175.26 175.37 2kvv n GLY 38 N 0.78 1.03 0.03 -3.83 0.00 0.29 -4.52 105.19 98.97 2kvv n GLY 38 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kvv n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kvv h VAL 39 N 0.00 0.00 0.00 1.61 2.07 -1.99 -3.40 116.25 114.53 2kvv h VAL 39 Ca 0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2kvv h VAL 39 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2kvv h VAL 39 CO 0.00 0.00 -0.69 0.45 0.02 0.00 0.00 177.57 177.35 2kvv h HIS 40 N -0.64 0.00 -1.70 1.57 3.86 -1.30 -3.46 115.15 113.48 2kvv h HIS 40 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2kvv h HIS 40 Cb 0.01 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.25 2kvv h HIS 40 CO -0.01 0.00 0.39 -0.59 0.86 0.00 0.00 177.93 178.59 2kvv s PHE 41 N -3.31 -0.52 0.21 2.45 -0.71 -1.16 -1.13 117.98 113.80 2kvv s PHE 41 Ca 0.02 1.16 0.07 0.00 -1.04 0.00 0.00 56.93 57.13 2kvv s PHE 41 Cb 0.08 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 2kvv s PHE 41 CO 0.75 -0.32 -0.11 -1.59 -1.34 0.00 0.00 175.22 172.61 2kvv s LYS 42 N -0.22 1.33 0.16 1.99 -2.85 -1.22 0.11 119.74 119.03 2kvv s LYS 42 Ca -0.00 -1.61 -0.30 0.00 -1.00 0.00 0.00 55.97 53.06 2kvv s LYS 42 Cb -0.03 -1.00 -0.07 0.00 -2.06 0.00 0.00 37.83 34.66 2kvv s LYS 42 CO -0.01 0.12 1.13 -0.98 0.10 0.00 0.00 175.35 175.70 2kvv s ARG 43 N -3.70 4.55 0.08 1.78 1.70 -1.26 -3.71 118.95 118.39 2kvv s ARG 43 Ca 0.23 1.75 0.07 0.00 -0.47 0.00 0.00 55.73 57.31 2kvv s ARG 43 Cb 0.01 -3.29 -0.03 0.00 -0.57 0.00 0.00 34.95 31.07 2kvv s ARG 43 CO 0.07 -0.01 -0.18 0.08 -1.08 0.00 0.00 175.30 174.17 2kvv s VAL 44 N 0.03 1.48 0.28 4.99 1.01 0.27 -5.02 120.40 123.45 2kvv s VAL 44 Ca 0.51 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 2kvv s VAL 44 Cb -0.30 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.58 2kvv s VAL 44 CO 0.34 -0.08 1.01 -1.20 0.00 0.00 0.00 175.10 175.17 2kvv n SER 45 N 1.28 1.26 -4.64 3.32 7.64 -1.26 -1.41 113.62 119.81 2kvv n SER 45 Ca -0.20 1.18 -0.48 0.00 1.01 0.00 0.00 58.87 60.38 2kvv n SER 45 Cb 0.54 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.41 2kvv n SER 45 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2kvv n PRO 46 N 0.76 1.77 -0.35 1.43 -0.02 -1.26 -4.05 135.00 133.28 2kvv n PRO 46 Ca 0.10 0.64 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 2kvv n PRO 46 Cb 0.32 -2.35 0.20 0.00 -0.02 0.00 0.00 33.50 31.65 2kvv n PRO 46 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kvv h SER 47 N 5.27 0.90 -2.66 2.55 0.02 -1.88 -3.42 113.55 114.33 2kvv h SER 47 Ca -0.46 0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 60.09 2kvv h SER 47 Cb 1.29 -0.15 0.05 0.00 0.14 0.00 0.00 62.40 63.73 2kvv h SER 47 CO 0.84 0.52 -0.00 -0.83 -1.14 0.00 0.00 176.83 176.22 2kvv s GLY 48 N -3.37 1.81 0.38 -3.77 0.00 -1.26 -5.01 107.32 96.10 2kvv s GLY 48 Ca -0.12 -1.28 0.12 0.00 0.00 0.00 0.00 44.72 43.43 2kvv s GLY 48 CO 0.80 -0.98 1.86 1.05 0.00 0.00 0.00 173.10 175.83 2kvv h GLU 49 N -0.02 0.07 -0.40 2.90 4.11 -2.02 -3.32 114.58 115.90 2kvv h GLU 49 Ca -0.42 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 58.75 2kvv h GLU 49 Cb 1.30 -0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.15 2kvv h GLU 49 CO 0.53 0.36 -1.09 0.36 0.07 0.00 0.00 179.01 179.25 2kvv n LYS 50 N -4.17 1.64 -2.18 1.06 2.85 -1.26 -5.02 118.16 111.08 2kvv n LYS 50 Ca -0.02 -3.36 -0.38 0.00 -1.05 0.00 0.00 58.31 53.50 2kvv n LYS 50 Cb 0.36 -1.46 -0.01 0.00 -0.65 0.00 0.00 35.03 33.26 2kvv n LYS 50 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2kvv s THR 51 N -3.50 2.90 -0.02 0.58 2.01 -1.25 -4.99 115.64 111.38 2kvv s THR 51 Ca 0.27 0.75 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 2kvv s THR 51 Cb 0.33 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 2kvv s THR 51 CO -0.05 0.06 0.74 -0.07 -0.69 0.00 0.00 174.62 174.62 2kvv h LEU 52 N 2.47 -0.49 -1.49 4.42 -0.00 -1.99 -3.30 115.31 114.93 2kvv h LEU 52 Ca -0.49 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2kvv h LEU 52 Cb 1.24 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 2kvv h LEU 52 CO 0.62 -0.14 0.00 0.54 -0.00 0.00 0.00 178.44 179.46 2kvv n ARG 53 N -4.75 1.94 0.00 1.13 1.74 -1.26 -5.03 116.66 110.43 2kvv n ARG 53 Ca -0.07 -1.45 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 2kvv n ARG 53 Cb 0.23 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2kvv n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kvv n GLY 54 N 1.15 2.38 2.98 -0.13 0.00 -1.24 -4.74 105.19 105.59 2kvv n GLY 54 Ca 0.14 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 2kvv n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvv s THR 55 N 0.00 0.58 -0.16 2.61 2.01 -0.50 -4.43 115.64 115.76 2kvv s THR 55 Ca 0.00 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2kvv s THR 55 Cb 0.00 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.02 2kvv s THR 55 CO 0.00 0.18 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.06 2kvv s THR 56 N 0.06 1.72 -0.07 -0.82 2.01 -1.26 -0.56 115.64 116.72 2kvv s THR 56 Ca -0.00 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2kvv s THR 56 Cb -0.06 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2kvv s THR 56 CO -0.00 0.48 -0.06 0.26 -0.69 0.00 0.00 174.62 174.61 2kvv s TRP 57 N 1.39 2.97 -0.11 4.92 0.52 -1.24 -4.76 118.94 122.62 2kvv s TRP 57 Ca 0.04 0.05 -0.08 0.00 0.02 0.00 0.00 56.10 56.13 2kvv s TRP 57 Cb -0.13 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2kvv s TRP 57 CO -0.11 0.35 0.17 0.71 0.02 0.00 0.00 176.95 178.09 2kvv s TYR 58 N -0.83 3.61 -0.55 -1.98 2.02 -0.02 -3.38 117.35 116.23 2kvv s TYR 58 Ca 0.13 0.57 -0.23 0.00 -0.37 0.00 0.00 57.07 57.17 2kvv s TYR 58 Cb -0.11 -1.98 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 2kvv s TYR 58 CO 0.02 0.72 0.89 -0.80 -1.57 0.00 0.00 175.55 174.81 2kvv s ASN 59 N -1.00 6.31 0.15 2.29 -0.87 -0.29 -2.23 114.94 119.30 2kvv s ASN 59 Ca 0.16 -0.47 -0.21 0.00 -1.57 0.00 0.00 52.86 50.77 2kvv s ASN 59 Cb -0.12 -2.41 0.04 0.00 -0.02 0.00 0.00 41.25 38.74 2kvv s ASN 59 CO 0.05 -1.18 1.65 0.22 -2.57 0.00 0.00 177.10 175.26 2kvv h TYR 60 N 9.27 -0.48 0.00 2.20 3.20 -1.66 -0.63 116.97 128.88 2kvv h TYR 60 Ca -0.26 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 2kvv h TYR 60 Cb 1.08 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 2kvv h TYR 60 CO 0.89 -0.26 -0.00 -1.00 -1.64 0.00 0.00 178.16 176.15 2kvv h PRO 61 N -0.17 0.00 0.23 1.82 0.13 -1.93 0.16 132.00 132.24 2kvv h PRO 61 Ca 0.15 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.95 2kvv h PRO 61 Cb 0.39 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.56 2kvv h PRO 61 CO -0.37 0.00 -1.44 0.93 -0.23 0.00 0.00 178.00 176.89 2kvv h GLU 62 N 0.00 0.50 -0.15 0.86 4.39 -1.70 -1.66 114.58 116.82 2kvv h GLU 62 Ca -0.00 -0.85 -0.16 0.00 0.34 0.00 0.00 59.36 58.69 2kvv h GLU 62 Cb 0.00 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2kvv h GLU 62 CO 0.00 1.41 -0.59 0.82 -1.16 0.00 0.00 179.01 179.49 2kvv h ILE 63 N 0.14 1.33 -0.78 3.13 2.04 -0.82 -2.90 117.51 119.66 2kvv h ILE 63 Ca -0.23 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 2kvv h ILE 63 Cb 2.13 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 40.03 2kvv h ILE 63 CO 0.26 0.58 0.45 -1.13 0.00 0.00 0.00 178.15 178.31 2kvv h ASN 64 N 0.38 0.94 -0.83 1.72 -0.73 -0.74 0.68 115.58 117.00 2kvv h ASN 64 Ca -0.00 -0.06 0.16 0.00 1.87 0.00 0.00 56.30 58.26 2kvv h ASN 64 Cb 1.13 -0.24 -0.06 0.00 0.27 0.00 0.00 38.32 39.42 2kvv h ASN 64 CO 0.11 0.74 0.55 0.50 -0.37 0.00 0.00 177.43 178.96 2kvv h LYS 65 N 1.07 0.50 0.01 6.67 3.64 -1.09 0.37 116.57 127.73 2kvv h LYS 65 Ca 0.28 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2kvv h LYS 65 Cb -0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2kvv h LYS 65 CO -0.05 0.33 -0.00 0.35 -2.27 0.00 0.00 179.45 177.81 2kvv h PHE 66 N 0.51 -0.01 0.00 1.91 3.57 -1.16 -3.36 116.94 118.41 2kvv h PHE 66 Ca 0.42 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 2kvv h PHE 66 Cb 0.86 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2kvv h PHE 66 CO -0.00 0.84 -0.08 0.82 -2.23 0.00 0.00 178.31 177.65 2kvv h ILE 67 N -0.94 0.27 -0.78 1.41 2.04 -0.46 -3.07 117.51 115.97 2kvv h ILE 67 Ca -0.00 -0.59 0.19 0.00 1.00 0.00 0.00 64.86 65.45 2kvv h ILE 67 Cb 0.85 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2kvv h ILE 67 CO 0.00 0.08 0.53 0.08 0.00 0.00 0.00 178.15 178.84 2kvv h ARG 68 N 0.00 0.25 -0.21 2.37 0.11 -0.43 0.48 114.38 116.95 2kvv h ARG 68 Ca -0.00 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.98 2kvv h ARG 68 Cb 0.46 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 2kvv h ARG 68 CO 0.01 0.16 -0.24 0.22 0.10 0.00 0.00 179.97 180.23 2kvv h ASP 69 N 0.25 0.38 1.23 0.08 3.58 -1.78 -2.54 116.42 117.63 2kvv h ASP 69 Ca 0.39 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 2kvv h ASP 69 Cb 1.13 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2kvv h ASP 69 CO -0.09 0.63 -0.40 0.28 -2.88 0.00 0.00 179.24 176.77 2kvv h SER 70 N 0.35 0.00 -0.03 2.28 0.02 -0.27 -2.85 113.55 113.05 2kvv h SER 70 Ca 0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2kvv h SER 70 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2kvv h SER 70 CO 0.04 0.40 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.76 2kvv h LEU 71 N 0.00 0.49 -0.21 5.07 -0.00 -0.93 -3.47 115.31 116.26 2kvv h LEU 71 Ca -0.00 -0.18 -0.43 0.00 -0.00 0.00 0.00 57.88 57.26 2kvv h LEU 71 Cb 1.13 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.63 2kvv h LEU 71 CO 0.05 0.78 -0.67 -0.62 -0.00 0.00 0.00 178.44 177.98 2kvv n GLU 72 N -4.09 -5.04 -1.65 1.13 1.02 -0.99 -4.76 120.64 106.26 2kvv n GLU 72 Ca -0.01 0.64 -0.59 0.00 -0.02 0.00 0.00 57.16 57.18 2kvv n GLU 72 Cb 0.44 -5.49 -0.08 0.00 -0.02 0.00 0.00 31.44 26.29 2kvv n GLU 72 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kvv n HIS 73 N -4.49 1.60 -1.68 -0.32 1.44 -1.26 -4.80 115.22 105.71 2kvv n HIS 73 Ca -0.00 0.81 -0.46 0.00 -2.01 0.00 0.00 57.72 56.06 2kvv n HIS 73 Cb 0.55 -2.31 -0.04 0.00 0.12 0.00 0.00 29.99 28.31 2kvv n HIS 73 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kvv n HIS 74 N 3.66 2.34 -2.22 -1.40 -0.00 -1.26 -4.91 115.22 111.43 2kvv n HIS 74 Ca 0.25 0.17 -0.42 0.00 0.46 0.00 0.00 57.72 58.18 2kvv n HIS 74 Cb 0.09 -2.59 -0.03 0.00 -0.12 0.00 0.00 29.99 27.34 2kvv n HIS 74 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kvv s HIS 75 N 1.66 2.08 0.31 1.57 3.76 -1.26 -4.84 115.29 118.57 2kvv s HIS 75 Ca 0.81 0.61 0.13 0.00 -0.15 0.00 0.00 55.06 56.47 2kvv s HIS 75 Cb -0.65 -4.26 0.61 0.00 1.11 0.00 0.00 32.58 29.39 2kvv s HIS 75 CO 0.40 -2.27 1.75 1.25 -0.85 0.00 0.00 174.74 175.01 2kvv h HIS 76 N 12.15 0.00 -3.52 1.40 2.76 -2.03 -3.44 115.15 122.47 2kvv h HIS 76 Ca -0.28 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.54 2kvv h HIS 76 Cb 1.13 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 29.94 2kvv h HIS 76 CO 1.00 0.45 -0.66 -3.38 -1.30 0.00 0.00 177.93 174.05 2kvv s HIS 77 N -3.91 1.43 -1.47 5.26 -3.43 -1.26 -5.37 115.29 106.55 2kvv s HIS 77 Ca -0.02 -0.98 0.00 0.00 -0.80 0.00 0.00 55.06 53.26 2kvv s HIS 77 Cb 0.13 -0.83 0.00 0.00 -1.43 0.00 0.00 32.58 30.46 2kvv s HIS 77 CO 0.73 -0.13 0.37 1.58 -2.00 0.00 0.00 174.74 175.29