#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 -2.53 -0.10 3.04 0.00 -1.26 -5.15 121.76 115.75 2kvv s ALA 2 Ca 0.00 2.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 2kvv s ALA 2 Cb 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.28 2kvv s ALA 2 CO 0.00 -0.31 0.21 1.14 0.00 0.00 0.00 175.76 176.80 2kvv s GLN 3 N 1.03 0.09 -0.41 0.00 -2.07 -1.26 -5.13 119.66 111.91 2kvv s GLN 3 Ca -0.07 0.64 -0.04 0.00 -1.82 0.00 0.00 55.36 54.07 2kvv s GLN 3 Cb -0.03 -0.16 0.11 0.00 -1.09 0.00 0.00 33.01 31.83 2kvv s GLN 3 CO -0.11 -0.29 0.21 0.42 -1.32 0.00 0.00 175.29 174.20 2kvv s ILE 4 N 2.30 3.44 -0.48 3.63 -1.09 -1.26 -5.07 121.20 122.68 2kvv s ILE 4 Ca 0.02 -1.93 -0.16 0.00 -2.23 0.00 0.00 60.65 56.34 2kvv s ILE 4 Cb -0.12 -3.31 0.07 0.00 -1.58 0.00 0.00 42.46 37.53 2kvv s ILE 4 CO -0.07 -0.65 0.43 -0.63 -1.23 0.00 0.00 174.94 172.79 2kvv s ILE 5 N 1.19 5.18 -0.75 2.92 1.09 -1.26 -4.85 121.20 124.73 2kvv s ILE 5 Ca 0.07 -1.01 0.12 0.00 -1.10 0.00 0.00 60.65 58.72 2kvv s ILE 5 Cb -0.23 -4.16 0.35 0.00 -1.06 0.00 0.00 42.46 37.36 2kvv s ILE 5 CO -0.03 -0.63 1.29 0.49 -0.10 0.00 0.00 174.94 175.96 2kvv n PHE 6 N 5.34 0.56 -1.31 3.97 3.72 -1.26 -4.84 117.46 123.64 2kvv n PHE 6 Ca -0.12 -0.58 -0.38 0.00 -0.05 0.00 0.00 57.45 56.33 2kvv n PHE 6 Cb 0.44 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 2kvv n PHE 6 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kvv n ASN 7 N 0.28 7.15 -3.92 4.37 5.15 -1.26 -4.83 115.26 122.20 2kvv n ASN 7 Ca 0.13 -2.59 -0.28 0.00 -0.60 0.00 0.00 54.58 51.24 2kvv n ASN 7 Cb 0.52 -1.51 -0.17 0.00 -0.53 0.00 0.00 39.78 38.10 2kvv n ASN 7 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2kvv s GLU 8 N 2.62 1.65 -0.41 1.20 2.02 -1.26 -4.91 118.70 119.60 2kvv s GLU 8 Ca 0.61 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.23 2kvv s GLU 8 Cb 0.16 -1.79 0.13 0.00 0.10 0.00 0.00 34.13 32.73 2kvv s GLU 8 CO -0.06 -0.30 0.22 -2.00 0.02 0.00 0.00 175.26 173.14 2kvv s GLU 9 N 1.65 1.09 -0.14 1.61 2.56 -1.26 -5.08 118.70 119.13 2kvv s GLU 9 Ca 0.04 -1.78 -0.16 0.00 0.00 0.00 0.00 54.97 53.08 2kvv s GLU 9 Cb -0.13 -2.11 -0.04 0.00 2.00 0.00 0.00 34.13 33.85 2kvv s GLU 9 CO -0.09 -1.15 0.37 -1.58 -0.56 0.00 0.00 175.26 172.26 2kvv s TRP 10 N 0.63 3.49 0.08 5.30 0.52 -1.26 -1.19 118.94 126.51 2kvv s TRP 10 Ca 0.17 0.73 -0.06 0.00 0.02 0.00 0.00 56.10 56.96 2kvv s TRP 10 Cb -0.24 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 29.65 2kvv s TRP 10 CO -0.02 0.23 0.13 0.00 0.02 0.00 0.00 176.95 177.31 2kvv s MET 11 N 0.47 0.80 0.94 4.98 0.23 -0.36 -4.94 119.30 121.42 2kvv s MET 11 Ca 0.21 -1.06 -0.13 0.00 -1.03 0.00 0.00 55.69 53.68 2kvv s MET 11 Cb -0.14 0.30 0.16 0.00 -1.53 0.00 0.00 34.83 33.62 2kvv s MET 11 CO 0.07 -0.23 1.13 0.14 -2.03 0.00 0.00 175.02 174.09 2kvv s VAL 12 N -3.89 1.99 0.11 5.16 -7.23 -1.26 -0.09 120.40 115.19 2kvv s VAL 12 Ca 0.07 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.03 2kvv s VAL 12 Cb 0.06 -2.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 2kvv s VAL 12 CO -0.10 0.00 1.76 -0.08 -0.31 0.00 0.00 175.10 176.38 2kvv h GLU 13 N -1.63 0.17 0.00 4.82 4.81 -1.97 -0.36 114.58 120.42 2kvv h GLU 13 Ca -0.51 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2kvv h GLU 13 Cb 1.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2kvv h GLU 13 CO 0.60 0.11 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.52 2kvv h LYS 14 N 0.18 0.00 -0.13 1.92 3.11 -2.00 -2.57 116.57 117.08 2kvv h LYS 14 Ca 0.05 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.71 2kvv h LYS 14 Cb -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2kvv h LYS 14 CO -0.02 0.26 -0.65 0.00 -2.81 0.00 0.00 179.45 176.23 2kvv h ALA 15 N 1.74 0.25 -0.47 5.00 0.00 -1.78 -3.17 119.26 120.83 2kvv h ALA 15 Ca -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.38 2kvv h ALA 15 Cb 0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2kvv h ALA 15 CO 0.03 0.53 0.26 1.25 0.00 0.00 0.00 179.25 181.32 2kvv h LEU 16 N 0.33 0.39 -1.27 0.00 7.12 -0.72 -0.52 115.31 120.64 2kvv h LEU 16 Ca -0.04 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.95 2kvv h LEU 16 Cb 1.28 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 2kvv h LEU 16 CO 0.13 0.28 0.18 0.00 -0.13 0.00 0.00 178.44 178.90 2kvv h MET 17 N 0.51 0.69 -0.19 1.25 -0.00 -1.55 -0.62 114.93 115.02 2kvv h MET 17 Ca 0.20 -0.10 -0.20 0.00 -0.00 0.00 0.00 59.70 59.60 2kvv h MET 17 Cb 0.07 -0.12 0.01 0.00 -0.00 0.00 0.00 31.60 31.56 2kvv h MET 17 CO -0.12 0.57 -0.68 0.28 -0.00 0.00 0.00 176.91 176.97 2kvv h VAL 18 N 0.68 1.28 -0.55 -0.10 2.07 -1.38 0.20 116.25 118.45 2kvv h VAL 18 Ca 0.16 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 2kvv h VAL 18 Cb 0.15 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2kvv h VAL 18 CO -0.01 0.60 0.06 0.03 0.02 0.00 0.00 177.57 178.26 2kvv h ARG 19 N 0.53 0.94 0.00 1.57 2.47 -0.80 -3.32 114.38 115.77 2kvv h ARG 19 Ca -0.03 -0.27 -0.32 0.00 -1.26 0.00 0.00 59.98 58.10 2kvv h ARG 19 Cb 1.30 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 29.46 2kvv h ARG 19 CO 0.14 0.92 -1.96 0.25 0.56 0.00 0.00 179.97 179.88 2kvv n THR 20 N -4.32 1.53 0.00 2.04 -2.24 -0.27 -4.99 114.28 106.04 2kvv n THR 20 Ca 0.02 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2kvv n THR 20 Cb 0.29 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 1.63 0.44 3.45 3.38 0.00 0.66 -5.08 105.19 109.68 2kvv n GLY 21 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2kvv n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kvv n LEU 22 N 0.00 0.00 -4.35 0.99 4.32 -0.97 -4.97 117.00 112.03 2kvv n LEU 22 Ca 0.00 -1.24 -0.18 0.00 -0.02 0.00 0.00 56.01 54.57 2kvv n LEU 22 Cb 0.00 -0.94 -0.10 0.00 -1.62 0.00 0.00 43.42 40.76 2kvv n LEU 22 CO 0.00 -1.67 -0.28 -0.83 -1.22 0.00 0.00 177.39 173.39 2kvv s GLY 23 N -5.14 1.73 0.19 -0.72 0.00 -1.26 -4.52 107.32 97.59 2kvv s GLY 23 Ca 0.68 -1.87 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 2kvv s GLY 23 CO 0.50 -1.66 1.72 0.00 0.00 0.00 0.00 173.10 173.66 2kvv h ALA 24 N 2.37 0.60 0.00 3.20 0.00 -1.98 -0.58 119.26 122.86 2kvv h ALA 24 Ca -0.39 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kvv h ALA 24 Cb 1.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kvv h ALA 24 CO 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.61 2kvv h ARG 25 N 0.27 0.00 0.16 0.00 3.08 -1.99 -1.28 114.38 114.62 2kvv h ARG 25 Ca 0.26 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.98 2kvv h ARG 25 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2kvv h ARG 25 CO -0.31 0.00 -1.63 0.37 -1.07 0.00 0.00 179.97 177.33 2kvv h GLN 26 N 0.00 0.33 0.03 0.04 4.15 -1.76 -3.19 115.11 114.71 2kvv h GLN 26 Ca 0.00 -0.56 -0.00 0.00 0.77 0.00 0.00 58.65 58.86 2kvv h GLN 26 Cb 0.65 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2kvv h GLN 26 CO 0.00 1.22 -0.01 0.82 -1.93 0.00 0.00 178.83 178.92 2kvv h ILE 27 N 0.09 1.10 -0.12 2.39 2.04 -0.83 -2.08 117.51 120.10 2kvv h ILE 27 Ca -0.29 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.16 2kvv h ILE 27 Cb 2.06 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 2kvv h ILE 27 CO 0.18 0.11 0.08 1.05 0.00 0.00 0.00 178.15 179.57 2kvv h GLU 28 N -0.23 0.14 0.04 2.37 4.11 -1.41 -0.33 114.58 119.27 2kvv h GLU 28 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kvv h GLU 28 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kvv h GLU 28 CO 0.01 0.09 -0.02 1.03 0.07 0.00 0.00 179.01 180.19 2kvv h SER 29 N 0.14 -0.04 0.50 3.06 0.87 -1.47 -2.59 113.55 114.01 2kvv h SER 29 Ca 0.05 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2kvv h SER 29 Cb 0.02 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2kvv h SER 29 CO -0.01 0.04 -0.11 1.88 -0.53 0.00 0.00 176.83 178.10 2kvv h TYR 30 N -0.13 0.00 0.00 2.24 0.05 -0.61 -2.52 116.97 116.01 2kvv h TYR 30 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2kvv h TYR 30 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2kvv h TYR 30 CO -0.05 0.11 0.00 0.54 -1.05 0.00 0.00 178.16 177.71 2kvv n ARG 31 N -3.49 0.00 0.25 4.88 1.74 -0.22 -0.72 116.66 119.10 2kvv n ARG 31 Ca -0.01 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 2kvv n ARG 31 Cb 0.26 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.76 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 -3.44 115.11 118.80 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 2kvv h GLN 32 CO 0.00 0.12 0.00 0.41 0.09 0.00 0.00 178.83 179.45 2kvv n GLY 33 N 0.09 -0.05 0.07 0.06 0.00 -0.89 -5.00 105.19 99.48 2kvv n GLY 33 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 0.11 -1.59 4.61 0.00 -1.23 -3.38 119.26 117.79 2kvv h ALA 34 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 2kvv h ALA 34 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2kvv h ALA 34 CO 0.00 -0.37 1.15 -1.58 0.00 0.00 0.00 179.25 178.45 2kvv s TRP 35 N -5.96 2.16 -0.12 0.00 0.23 -0.34 -4.98 118.94 109.93 2kvv s TRP 35 Ca -0.13 0.50 -0.22 0.00 -2.03 0.00 0.00 56.10 54.22 2kvv s TRP 35 Cb 0.07 -4.34 -0.03 0.00 0.03 0.00 0.00 33.47 29.19 2kvv s TRP 35 CO 0.68 -2.10 0.67 0.42 0.96 0.00 0.00 176.95 177.57 2kvv s ILE 36 N 6.52 5.04 0.61 2.03 1.01 -1.26 -4.79 121.20 130.36 2kvv s ILE 36 Ca 0.56 1.32 -0.19 0.00 0.00 0.00 0.00 60.65 62.34 2kvv s ILE 36 Cb -0.12 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2kvv s ILE 36 CO 0.25 0.19 1.21 -1.84 0.00 0.00 0.00 174.94 174.75 2kvv n GLU 37 N 4.32 1.17 0.00 2.79 0.28 -1.26 -0.15 120.64 127.79 2kvv n GLU 37 Ca -0.01 0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 2kvv n GLU 37 Cb 0.51 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 30.94 2kvv n GLU 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kvv n GLY 38 N 1.00 1.36 0.04 -1.84 0.00 0.18 -4.56 105.19 101.37 2kvv n GLY 38 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.93 -3.40 116.25 114.60 2kvv h VAL 39 Ca 0.00 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 2kvv h VAL 39 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2kvv h VAL 39 CO 0.00 0.00 -1.09 0.45 0.02 0.00 0.00 177.57 176.95 2kvv h HIS 40 N -0.83 0.00 -1.99 1.57 3.86 -0.79 -3.42 115.15 113.54 2kvv h HIS 40 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2kvv h HIS 40 Cb 0.06 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 28.32 2kvv h HIS 40 CO -0.02 0.21 -0.02 -0.59 0.86 0.00 0.00 177.93 178.37 2kvv s PHE 41 N -3.20 -1.14 0.05 2.45 -0.71 -1.14 -0.50 117.98 113.79 2kvv s PHE 41 Ca -0.01 2.18 0.09 0.00 -1.04 0.00 0.00 56.93 58.15 2kvv s PHE 41 Cb 0.09 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.55 2kvv s PHE 41 CO 0.79 -0.56 -0.24 -1.59 -1.34 0.00 0.00 175.22 172.28 2kvv s LYS 42 N 1.97 1.59 -0.57 1.99 -2.85 -0.79 0.49 119.74 121.57 2kvv s LYS 42 Ca -0.09 -1.06 -0.27 0.00 -1.00 0.00 0.00 55.97 53.55 2kvv s LYS 42 Cb -0.07 -1.76 -0.00 0.00 -2.06 0.00 0.00 37.83 33.94 2kvv s LYS 42 CO -0.20 0.45 1.60 1.03 0.10 0.00 0.00 175.35 178.34 2kvv s ARG 43 N -1.28 3.05 -0.57 1.78 0.52 -1.26 -0.95 118.95 120.23 2kvv s ARG 43 Ca 0.10 0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 55.67 2kvv s ARG 43 Cb -0.10 -4.23 0.11 0.00 0.52 0.00 0.00 34.95 31.25 2kvv s ARG 43 CO 0.02 -2.24 0.63 0.08 0.02 0.00 0.00 175.30 173.82 2kvv s VAL 44 N 7.20 4.95 -0.03 3.52 1.01 0.82 -4.80 120.40 133.06 2kvv s VAL 44 Ca 0.59 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 2kvv s VAL 44 Cb -0.12 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2kvv s VAL 44 CO 0.23 -1.02 0.68 -0.94 0.00 0.00 0.00 175.10 174.05 2kvv s SER 45 N 3.55 7.02 0.00 3.32 1.04 -1.26 -2.86 113.70 124.51 2kvv s SER 45 Ca 0.09 1.23 0.12 0.00 0.48 0.00 0.00 55.95 57.86 2kvv s SER 45 Cb -0.26 -2.41 0.55 0.00 0.10 0.00 0.00 66.02 64.00 2kvv s SER 45 CO 0.06 -0.03 1.34 -0.81 0.98 0.00 0.00 173.24 174.78 2kvv n PRO 46 N 3.30 0.07 -4.32 4.02 -0.04 -1.26 -4.73 135.00 132.05 2kvv n PRO 46 Ca -0.03 0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.49 2kvv n PRO 46 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 2kvv n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kvv s SER 47 N -2.81 2.43 0.00 3.54 0.15 -1.26 -5.03 113.70 110.72 2kvv s SER 47 Ca 0.08 -0.98 0.24 0.00 0.70 0.00 0.00 55.95 55.99 2kvv s SER 47 Cb 0.08 -0.12 0.67 0.00 -1.71 0.00 0.00 66.02 64.94 2kvv s SER 47 CO 0.20 -0.17 1.52 0.61 1.20 0.00 0.00 173.24 176.60 2kvv n GLY 48 N -0.19 0.61 3.85 9.45 0.00 -1.26 -4.95 105.19 112.69 2kvv n GLY 48 Ca -0.10 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.84 4.00 -0.91 1.61 0.41 -1.26 -4.95 118.70 115.76 2kvv s GLU 49 Ca 0.34 0.80 -0.26 0.00 -0.41 0.00 0.00 54.97 55.45 2kvv s GLU 49 Cb 0.20 -2.29 -0.17 0.00 -1.78 0.00 0.00 34.13 30.09 2kvv s GLU 49 CO 0.30 -0.03 2.28 0.15 -0.49 0.00 0.00 175.26 177.47 2kvv s LYS 50 N -3.47 1.46 0.10 1.61 1.02 -1.26 -4.88 119.74 114.32 2kvv s LYS 50 Ca 0.57 0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.69 2kvv s LYS 50 Cb -0.10 -4.87 -0.03 0.00 -0.52 0.00 0.00 37.83 32.30 2kvv s LYS 50 CO 0.23 -4.84 -0.11 0.95 -0.92 0.00 0.00 175.35 170.65 2kvv s THR 51 N 15.54 1.05 -1.35 2.17 -4.23 -1.26 -5.04 115.64 122.52 2kvv s THR 51 Ca 0.87 -1.60 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2kvv s THR 51 Cb -0.10 -1.34 0.33 0.00 1.34 0.00 0.00 72.50 72.74 2kvv s THR 51 CO 0.12 -0.47 1.15 0.18 -0.54 0.00 0.00 174.62 175.06 2kvv n LEU 52 N 0.68 2.44 -1.35 4.79 7.99 -1.26 -4.35 117.00 125.93 2kvv n LEU 52 Ca -0.17 -1.23 -0.07 0.00 -0.01 0.00 0.00 56.01 54.54 2kvv n LEU 52 Cb 0.57 -0.40 0.07 0.00 -0.11 0.00 0.00 43.42 43.55 2kvv n LEU 52 CO 0.26 0.43 0.72 0.54 -1.51 0.00 0.00 177.39 177.83 2kvv n ARG 53 N 0.38 1.58 -1.99 3.23 1.74 -1.26 -4.81 116.66 115.53 2kvv n ARG 53 Ca 0.12 -1.05 -0.26 0.00 -0.77 0.00 0.00 57.85 55.89 2kvv n ARG 53 Cb 0.47 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.38 2kvv n ARG 53 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2kvv s GLY 54 N 0.13 -0.07 -0.22 -0.13 0.00 -1.26 -4.45 107.32 101.32 2kvv s GLY 54 Ca 0.20 -2.04 -0.29 0.00 0.00 0.00 0.00 44.72 42.59 2kvv s GLY 54 CO 0.04 3.69 1.42 -1.59 0.00 0.00 0.00 173.10 176.66 2kvv s THR 55 N 12.13 3.99 0.18 0.90 2.01 -1.14 -4.55 115.64 129.16 2kvv s THR 55 Ca 0.71 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 63.56 2kvv s THR 55 Cb -0.02 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 2kvv s THR 55 CO 0.14 -0.30 0.90 0.28 -0.69 0.00 0.00 174.62 174.96 2kvv s THR 56 N 4.37 4.29 -0.08 -0.82 -1.32 -1.26 -0.13 115.64 120.70 2kvv s THR 56 Ca 0.62 1.98 0.01 0.00 -1.21 0.00 0.00 61.69 63.09 2kvv s THR 56 Cb -0.22 -4.28 -0.02 0.00 -1.51 0.00 0.00 72.50 66.47 2kvv s THR 56 CO 0.23 0.44 -0.11 0.26 -2.21 0.00 0.00 174.62 173.24 2kvv s TRP 57 N -0.77 2.81 0.06 9.09 0.52 -0.13 -4.71 118.94 125.82 2kvv s TRP 57 Ca 0.41 -0.24 -0.19 0.00 0.02 0.00 0.00 56.10 56.11 2kvv s TRP 57 Cb -0.24 -1.72 -0.06 0.00 -1.15 0.00 0.00 33.47 30.29 2kvv s TRP 57 CO 0.30 0.11 0.54 0.71 0.02 0.00 0.00 176.95 178.63 2kvv s TYR 58 N -0.42 3.79 -0.60 -1.98 1.51 0.87 -1.88 117.35 118.65 2kvv s TYR 58 Ca 0.05 1.22 -0.21 0.00 -1.01 0.00 0.00 57.07 57.13 2kvv s TYR 58 Cb -0.12 -2.47 0.08 0.00 -0.11 0.00 0.00 41.96 39.34 2kvv s TYR 58 CO 0.02 0.59 0.80 1.21 -1.11 0.00 0.00 175.55 177.05 2kvv s ASN 59 N -1.06 6.20 0.13 2.29 3.84 0.34 -1.22 114.94 125.46 2kvv s ASN 59 Ca 0.28 -1.10 -0.23 0.00 0.21 0.00 0.00 52.86 52.02 2kvv s ASN 59 Cb -0.19 -2.35 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 2kvv s ASN 59 CO 0.18 -1.19 1.67 0.22 -2.79 0.00 0.00 177.10 175.18 2kvv h TYR 60 N 9.29 -0.41 -0.60 0.43 3.20 -1.47 -1.80 116.97 125.62 2kvv h TYR 60 Ca -0.29 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.73 2kvv h TYR 60 Cb 1.08 0.19 -0.11 0.00 1.54 0.00 0.00 36.73 39.44 2kvv h TYR 60 CO 0.87 -0.23 -0.10 -1.35 -1.64 0.00 0.00 178.16 175.71 2kvv h PRO 61 N -0.22 0.03 -0.71 1.82 0.11 -1.91 0.32 132.00 131.44 2kvv h PRO 61 Ca 0.08 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2kvv h PRO 61 Cb 0.33 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2kvv h PRO 61 CO -0.22 0.02 0.32 0.93 -0.21 0.00 0.00 178.00 178.84 2kvv h GLU 62 N 0.03 1.04 -0.02 1.05 4.39 -1.81 -0.18 114.58 119.07 2kvv h GLU 62 Ca 0.30 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2kvv h GLU 62 Cb 0.47 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2kvv h GLU 62 CO -0.59 0.83 -0.06 0.82 -1.16 0.00 0.00 179.01 178.85 2kvv h ILE 63 N 1.00 1.47 -0.89 3.13 2.04 -0.77 -2.75 117.51 120.75 2kvv h ILE 63 Ca 0.24 -1.48 0.07 0.00 1.00 0.00 0.00 64.86 64.70 2kvv h ILE 63 Cb 0.15 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 2kvv h ILE 63 CO -0.03 0.39 0.58 -1.13 0.00 0.00 0.00 178.15 177.96 2kvv h ASN 64 N -0.50 0.86 0.02 1.72 -0.73 -0.37 -1.21 115.58 115.38 2kvv h ASN 64 Ca -0.00 0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.19 2kvv h ASN 64 Cb 0.67 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 2kvv h ASN 64 CO 0.01 0.55 -0.09 0.50 -0.37 0.00 0.00 177.43 178.03 2kvv h LYS 65 N 0.98 -0.16 -0.32 6.67 3.11 -1.04 0.52 116.57 126.33 2kvv h LYS 65 Ca 0.39 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.29 2kvv h LYS 65 Cb 0.25 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.47 2kvv h LYS 65 CO -0.15 -0.10 0.03 0.35 -2.81 0.00 0.00 179.45 176.77 2kvv h PHE 66 N -0.16 0.04 -0.76 1.91 3.57 -1.04 -2.46 116.94 118.04 2kvv h PHE 66 Ca 0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2kvv h PHE 66 Cb 0.20 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2kvv h PHE 66 CO -0.15 -0.02 0.34 0.82 -2.23 0.00 0.00 178.31 177.08 2kvv h ILE 67 N 0.13 1.25 -0.35 1.41 2.04 -1.07 -2.89 117.51 118.03 2kvv h ILE 67 Ca 0.15 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.30 2kvv h ILE 67 Cb 0.19 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2kvv h ILE 67 CO -0.23 0.31 0.23 -0.09 0.00 0.00 0.00 178.15 178.37 2kvv h ARG 68 N 1.09 0.35 -0.08 2.37 2.43 -0.43 0.81 114.38 120.92 2kvv h ARG 68 Ca 0.26 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2kvv h ARG 68 Cb 0.16 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2kvv h ARG 68 CO -0.03 0.23 0.04 -0.44 -1.51 0.00 0.00 179.97 178.27 2kvv h ASP 69 N 0.36 0.10 0.11 -3.80 3.32 -1.27 -0.83 116.42 114.42 2kvv h ASP 69 Ca 0.14 -0.09 -0.23 0.00 0.02 0.00 0.00 57.03 56.87 2kvv h ASP 69 Cb 0.11 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2kvv h ASP 69 CO -0.03 0.16 -1.12 -1.28 -1.72 0.00 0.00 179.24 175.25 2kvv h SER 70 N 0.04 0.37 -0.32 6.45 0.87 -1.56 -3.37 113.55 116.01 2kvv h SER 70 Ca 0.03 -0.88 -0.08 0.00 -1.23 0.00 0.00 61.79 59.63 2kvv h SER 70 Cb 0.08 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2kvv h SER 70 CO -0.00 1.50 -0.11 0.25 -0.53 0.00 0.00 176.83 177.94 2kvv h LEU 71 N -0.40 0.66 0.00 2.23 5.85 -0.95 -3.46 115.31 119.24 2kvv h LEU 71 Ca -0.24 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.10 2kvv h LEU 71 Cb 1.65 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2kvv h LEU 71 CO 0.07 0.89 0.00 -0.62 -0.34 0.00 0.00 178.44 178.44 2kvv n GLU 72 N -4.41 0.00 -3.69 1.25 1.02 -0.32 -4.81 120.64 109.68 2kvv n GLU 72 Ca -0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.74 2kvv n GLU 72 Cb 0.35 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.71 2kvv n GLU 72 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kvv s HIS 73 N 0.00 3.60 -0.32 -0.32 -3.43 -1.26 -5.00 115.29 108.56 2kvv s HIS 73 Ca 0.00 0.67 -0.28 0.00 -0.80 0.00 0.00 55.06 54.64 2kvv s HIS 73 Cb 0.00 -2.14 0.02 0.00 -1.43 0.00 0.00 32.58 29.03 2kvv s HIS 73 CO 0.00 0.58 1.04 -1.58 -2.00 0.00 0.00 174.74 172.78 2kvv s HIS 74 N -0.66 3.15 0.25 0.38 2.46 -1.26 -5.01 115.29 114.59 2kvv s HIS 74 Ca 0.17 1.14 -0.31 0.00 0.47 0.00 0.00 55.06 56.54 2kvv s HIS 74 Cb -0.14 -3.64 -0.11 0.00 -0.13 0.00 0.00 32.58 28.56 2kvv s HIS 74 CO 0.06 -0.75 1.57 -1.58 -2.47 0.00 0.00 174.74 171.58 2kvv s HIS 75 N 3.57 2.90 -0.07 3.88 2.46 -1.26 -4.97 115.29 121.80 2kvv s HIS 75 Ca 0.44 0.74 -0.30 0.00 0.47 0.00 0.00 55.06 56.41 2kvv s HIS 75 Cb -0.12 -4.00 -0.02 0.00 -0.13 0.00 0.00 32.58 28.31 2kvv s HIS 75 CO 0.15 -3.47 0.99 -1.01 -2.47 0.00 0.00 174.74 168.94 2kvv s HIS 76 N 0.40 3.56 -0.04 3.88 3.76 -1.26 -5.04 115.29 120.54 2kvv s HIS 76 Ca 0.65 1.62 -0.15 0.00 -0.15 0.00 0.00 55.06 57.03 2kvv s HIS 76 Cb -0.46 -3.16 -0.05 0.00 1.11 0.00 0.00 32.58 30.02 2kvv s HIS 76 CO 0.41 -0.16 0.41 -1.58 -0.85 0.00 0.00 174.74 172.97 2kvv s HIS 77 N 1.70 3.66 0.00 1.40 2.46 -1.26 -5.35 115.29 117.90 2kvv s HIS 77 Ca 0.49 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.95 2kvv s HIS 77 Cb -0.19 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 29.92 2kvv s HIS 77 CO 0.21 0.52 0.02 1.58 -2.47 0.00 0.00 174.74 174.59