#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 3.66 0.05 3.04 0.00 -1.26 -5.05 121.76 122.20 2kvv s ALA 2 Ca 0.00 -3.00 0.04 0.00 0.00 0.00 0.00 51.96 48.99 2kvv s ALA 2 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2kvv s ALA 2 CO 0.00 -2.08 -0.11 -0.65 0.00 0.00 0.00 175.76 172.92 2kvv s GLN 3 N 0.56 0.66 -0.54 0.00 -0.21 -1.26 -5.12 119.66 113.75 2kvv s GLN 3 Ca 0.13 -0.82 -0.22 0.00 0.02 0.00 0.00 55.36 54.47 2kvv s GLN 3 Cb -0.20 -0.55 0.05 0.00 1.00 0.00 0.00 33.01 33.32 2kvv s GLN 3 CO -0.04 0.12 0.80 0.42 -2.12 0.00 0.00 175.29 174.47 2kvv s ILE 4 N -1.28 4.60 -0.29 1.08 -1.09 -1.26 -5.02 121.20 117.94 2kvv s ILE 4 Ca -0.06 -0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 57.94 2kvv s ILE 4 Cb -0.10 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 2kvv s ILE 4 CO 0.01 -1.01 1.26 -0.63 -1.23 0.00 0.00 174.94 173.34 2kvv s ILE 5 N 3.37 4.21 -0.80 2.92 1.09 -1.26 -4.94 121.20 125.78 2kvv s ILE 5 Ca 0.23 1.38 -0.25 0.00 -1.10 0.00 0.00 60.65 60.90 2kvv s ILE 5 Cb -0.16 -4.18 -0.06 0.00 -1.06 0.00 0.00 42.46 37.00 2kvv s ILE 5 CO 0.15 -0.45 2.02 -0.36 -0.10 0.00 0.00 174.94 176.20 2kvv s PHE 6 N 4.19 1.64 0.24 3.97 0.40 -1.26 -4.95 117.98 122.20 2kvv s PHE 6 Ca 0.54 0.92 -0.16 0.00 -0.60 0.00 0.00 56.93 57.63 2kvv s PHE 6 Cb -0.16 -3.94 -0.08 0.00 0.51 0.00 0.00 43.02 39.34 2kvv s PHE 6 CO 0.21 -1.89 0.67 1.21 0.70 0.00 0.00 175.22 176.12 2kvv s ASN 7 N 8.69 6.86 -0.21 1.36 2.47 -1.26 -5.08 114.94 127.77 2kvv s ASN 7 Ca 0.74 1.24 -0.01 0.00 0.42 0.00 0.00 52.86 55.25 2kvv s ASN 7 Cb -0.09 -2.35 0.06 0.00 -1.45 0.00 0.00 41.25 37.41 2kvv s ASN 7 CO 0.07 -0.05 -0.02 -1.83 -3.72 0.00 0.00 177.10 171.55 2kvv s GLU 8 N -2.43 1.22 -1.13 0.43 -1.05 -1.26 -5.08 118.70 109.40 2kvv s GLU 8 Ca 0.46 -0.72 -0.14 0.00 -0.15 0.00 0.00 54.97 54.43 2kvv s GLU 8 Cb -0.13 -2.34 0.19 0.00 -0.44 0.00 0.00 34.13 31.41 2kvv s GLU 8 CO 0.19 -0.60 1.28 -1.21 0.95 0.00 0.00 175.26 175.88 2kvv s GLU 9 N 1.60 4.02 0.15 -4.83 2.02 -1.26 -5.00 118.70 115.40 2kvv s GLU 9 Ca -0.03 -2.59 -0.06 0.00 0.02 0.00 0.00 54.97 52.31 2kvv s GLU 9 Cb -0.18 -4.90 -0.06 0.00 0.10 0.00 0.00 34.13 29.09 2kvv s GLU 9 CO -0.07 -1.63 0.41 -1.58 0.02 0.00 0.00 175.26 172.41 2kvv s TRP 10 N 1.07 3.48 -0.01 1.61 0.52 -1.26 -1.13 118.94 123.21 2kvv s TRP 10 Ca 0.37 0.64 -0.28 0.00 0.02 0.00 0.00 56.10 56.85 2kvv s TRP 10 Cb -0.05 -2.07 0.07 0.00 -1.15 0.00 0.00 33.47 30.27 2kvv s TRP 10 CO -0.04 0.41 0.63 0.00 0.02 0.00 0.00 176.95 177.98 2kvv s MET 11 N -2.60 1.06 0.91 4.98 0.23 -0.03 -4.89 119.30 118.96 2kvv s MET 11 Ca 0.41 0.10 -0.12 0.00 -1.03 0.00 0.00 55.69 55.06 2kvv s MET 11 Cb -0.12 0.50 0.14 0.00 -1.53 0.00 0.00 34.83 33.81 2kvv s MET 11 CO 0.23 -0.35 1.11 0.14 -2.03 0.00 0.00 175.02 174.12 2kvv s VAL 12 N -1.61 2.38 0.10 5.16 -7.23 -1.26 -0.50 120.40 117.44 2kvv s VAL 12 Ca -0.09 0.12 -0.28 0.00 -1.81 0.00 0.00 61.98 59.92 2kvv s VAL 12 Cb -0.00 -2.74 -0.12 0.00 0.56 0.00 0.00 36.38 34.07 2kvv s VAL 12 CO 0.06 -0.16 1.65 -0.08 -0.31 0.00 0.00 175.10 176.25 2kvv h GLU 13 N -1.54 -0.51 -0.57 4.82 4.81 -1.99 0.21 114.58 119.80 2kvv h GLU 13 Ca -0.51 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2kvv h GLU 13 Cb 1.31 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 2kvv h GLU 13 CO 0.59 -0.34 0.38 -0.22 -0.73 0.00 0.00 179.01 178.68 2kvv h LYS 14 N -0.53 0.71 -0.06 1.92 3.11 -1.97 -1.61 116.57 118.13 2kvv h LYS 14 Ca -0.01 -0.04 -0.23 0.00 -2.81 0.00 0.00 60.65 57.56 2kvv h LYS 14 Cb 0.49 -0.16 0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2kvv h LYS 14 CO -0.05 0.47 -0.85 0.00 -2.81 0.00 0.00 179.45 176.21 2kvv h ALA 15 N 1.65 0.19 0.22 5.00 0.00 -1.85 -3.26 119.26 121.21 2kvv h ALA 15 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kvv h ALA 15 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kvv h ALA 15 CO -0.05 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 180.87 2kvv h LEU 16 N 0.37 -0.52 -0.98 0.00 7.12 0.06 -1.49 115.31 119.87 2kvv h LEU 16 Ca -0.09 0.05 0.13 0.00 0.13 0.00 0.00 57.88 58.09 2kvv h LEU 16 Cb 1.50 0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 41.72 2kvv h LEU 16 CO 0.17 -0.30 0.61 0.00 -0.13 0.00 0.00 178.44 178.79 2kvv h MET 17 N -0.44 0.91 -0.26 1.25 -0.00 -1.44 -0.53 114.93 114.42 2kvv h MET 17 Ca -0.01 -0.06 -0.13 0.00 -0.00 0.00 0.00 59.70 59.51 2kvv h MET 17 Cb 0.40 -0.21 -0.00 0.00 -0.00 0.00 0.00 31.60 31.79 2kvv h MET 17 CO -0.03 0.61 -0.34 0.28 -0.00 0.00 0.00 176.91 177.42 2kvv h VAL 18 N 0.94 1.31 0.00 -0.10 2.07 -1.53 0.23 116.25 119.17 2kvv h VAL 18 Ca 0.50 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2kvv h VAL 18 Cb 0.52 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2kvv h VAL 18 CO -0.28 0.49 0.00 0.54 0.02 0.00 0.00 177.57 178.34 2kvv n ARG 19 N -4.24 0.13 -0.06 1.57 1.74 -0.59 -3.57 116.66 111.65 2kvv n ARG 19 Ca -0.04 0.11 -0.04 0.00 -0.77 0.00 0.00 57.85 57.10 2kvv n ARG 19 Cb 0.50 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 2kvv n ARG 19 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2kvv n THR 20 N -1.87 0.75 -0.21 0.55 -2.24 -0.26 -5.02 114.28 105.99 2kvv n THR 20 Ca 0.06 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2kvv n THR 20 Cb 0.38 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 2.12 0.76 3.88 3.38 0.00 0.73 -5.08 105.19 110.99 2kvv n GLY 21 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 3.29 0.27 0.99 1.02 -0.71 -4.99 118.68 118.55 2kvv s LEU 22 Ca 0.00 1.21 0.08 0.00 0.02 0.00 0.00 54.13 55.44 2kvv s LEU 22 Cb 0.00 -4.19 -0.04 0.00 0.02 0.00 0.00 46.19 41.98 2kvv s LEU 22 CO 0.00 -0.87 0.13 -0.83 0.02 0.00 0.00 176.35 174.80 2kvv s GLY 23 N -4.19 1.57 0.28 -3.19 0.00 -1.26 -4.47 107.32 96.06 2kvv s GLY 23 Ca 0.53 -1.56 0.02 0.00 0.00 0.00 0.00 44.72 43.72 2kvv s GLY 23 CO 0.51 -1.59 1.77 0.00 0.00 0.00 0.00 173.10 173.79 2kvv h ALA 24 N 1.61 1.48 -0.19 3.20 0.00 -1.97 0.13 119.26 123.53 2kvv h ALA 24 Ca -0.46 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2kvv h ALA 24 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kvv h ALA 24 CO 0.61 -0.05 -0.01 0.07 0.00 0.00 0.00 179.25 179.86 2kvv h ARG 25 N 0.72 0.27 0.18 0.00 0.11 -2.00 -2.51 114.38 111.14 2kvv h ARG 25 Ca 0.52 -0.04 -0.30 0.00 0.10 0.00 0.00 59.98 60.26 2kvv h ARG 25 Cb 0.76 -0.05 0.02 0.00 1.11 0.00 0.00 29.97 31.82 2kvv h ARG 25 CO -0.37 0.31 -1.34 0.37 0.10 0.00 0.00 179.97 179.04 2kvv h GLN 26 N 0.27 0.44 -0.05 0.08 4.15 -1.18 -2.67 115.11 116.14 2kvv h GLN 26 Ca 0.06 -0.72 -0.00 0.00 0.77 0.00 0.00 58.65 58.76 2kvv h GLN 26 Cb 0.21 0.26 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 2kvv h GLN 26 CO 0.01 1.33 0.02 0.82 -1.93 0.00 0.00 178.83 179.08 2kvv h ILE 27 N 0.14 1.17 -0.54 2.39 2.04 -1.14 -2.19 117.51 119.38 2kvv h ILE 27 Ca -0.19 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2kvv h ILE 27 Cb 2.04 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 39.50 2kvv h ILE 27 CO 0.24 0.14 0.31 1.05 0.00 0.00 0.00 178.15 179.89 2kvv h GLU 28 N -0.11 0.73 -0.73 2.37 4.11 -1.55 -0.78 114.58 118.61 2kvv h GLU 28 Ca 0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2kvv h GLU 28 Cb 0.21 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2kvv h GLU 28 CO -0.00 0.52 0.44 1.03 0.07 0.00 0.00 179.01 181.07 2kvv h SER 29 N 0.74 0.87 -0.01 3.06 0.87 -1.24 -2.33 113.55 115.52 2kvv h SER 29 Ca 0.19 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.51 2kvv h SER 29 Cb -0.01 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2kvv h SER 29 CO -0.04 0.67 -0.70 1.88 -0.53 0.00 0.00 176.83 178.12 2kvv h TYR 30 N 1.01 0.86 0.00 2.24 0.05 -0.68 -3.16 116.97 117.29 2kvv h TYR 30 Ca 0.26 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2kvv h TYR 30 Cb -0.04 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.56 2kvv h TYR 30 CO 0.00 1.15 0.00 0.54 -1.05 0.00 0.00 178.16 178.81 2kvv n ARG 31 N -3.92 0.01 0.20 4.88 1.74 -0.39 -0.21 116.66 118.97 2kvv n ARG 31 Ca -0.05 0.38 0.07 0.00 -0.77 0.00 0.00 57.85 57.47 2kvv n ARG 31 Cb 0.70 -1.54 0.59 0.00 -1.02 0.00 0.00 32.46 31.19 2kvv n ARG 31 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2kvv h GLN 32 N 0.00 0.13 0.00 5.56 4.20 -1.45 -3.42 115.11 120.13 2kvv h GLN 32 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kvv h GLN 32 Cb 0.14 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2kvv h GLN 32 CO 0.00 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.65 2kvv n GLY 33 N -1.53 0.00 0.00 3.46 0.00 -0.85 -5.01 105.19 101.27 2kvv n GLY 33 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kvv n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvv n ALA 34 N 0.00 1.76 -2.71 4.61 0.00 0.70 -5.04 120.51 119.83 2kvv n ALA 34 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2kvv n ALA 34 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 2kvv n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2kvv s TRP 35 N -1.76 3.60 -0.02 0.00 0.23 -1.20 -5.01 118.94 114.78 2kvv s TRP 35 Ca 0.00 1.46 0.03 0.00 -2.03 0.00 0.00 56.10 55.56 2kvv s TRP 35 Cb 0.00 -2.97 -0.00 0.00 0.03 0.00 0.00 33.47 30.52 2kvv s TRP 35 CO 0.00 0.01 -0.11 0.42 0.96 0.00 0.00 176.95 178.23 2kvv s ILE 36 N 1.04 0.93 0.62 2.03 1.01 -1.26 -5.00 121.20 120.57 2kvv s ILE 36 Ca 0.44 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 2kvv s ILE 36 Cb -0.19 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 2kvv s ILE 36 CO 0.22 0.28 1.12 -1.83 0.00 0.00 0.00 174.94 174.72 2kvv s GLU 37 N 0.00 3.00 0.00 2.79 -1.05 -1.26 -0.20 118.70 121.98 2kvv s GLU 37 Ca -0.00 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 56.29 2kvv s GLU 37 Cb -0.07 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 2kvv s GLU 37 CO 0.00 -1.11 0.00 0.41 0.95 0.00 0.00 175.26 175.52 2kvv n GLY 38 N -0.27 1.52 0.06 -3.83 0.00 0.26 -4.55 105.19 98.38 2kvv n GLY 38 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.38 0.00 1.61 2.07 -2.01 -3.43 116.25 114.87 2kvv h VAL 39 Ca 0.00 -1.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 2kvv h VAL 39 Cb 0.00 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2kvv h VAL 39 CO 0.00 0.13 -2.05 1.41 0.02 0.00 0.00 177.57 177.08 2kvv n HIS 40 N -4.68 0.00 -3.83 1.57 8.25 0.72 -4.74 115.22 112.50 2kvv n HIS 40 Ca -0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.33 2kvv n HIS 40 Cb 0.20 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.04 -0.09 0.14 4.41 -0.71 -1.00 -0.50 117.98 117.19 2kvv s PHE 41 Ca -0.08 -0.38 -0.17 0.00 -1.04 0.00 0.00 56.93 55.26 2kvv s PHE 41 Cb 0.10 0.72 0.04 0.00 -1.21 0.00 0.00 43.02 42.67 2kvv s PHE 41 CO 0.81 -1.21 0.44 -1.59 -1.34 0.00 0.00 175.22 172.33 2kvv s LYS 42 N -3.32 1.14 0.05 1.99 -2.85 -0.88 0.90 119.74 116.77 2kvv s LYS 42 Ca 0.13 -0.70 -0.22 0.00 -1.00 0.00 0.00 55.97 54.18 2kvv s LYS 42 Cb -0.05 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.15 2kvv s LYS 42 CO 0.07 -0.46 0.65 -0.98 0.10 0.00 0.00 175.35 174.73 2kvv s ARG 43 N -3.81 4.36 -0.18 1.78 1.70 -1.26 -2.84 118.95 118.71 2kvv s ARG 43 Ca 0.04 0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 56.11 2kvv s ARG 43 Cb 0.01 -3.30 -0.03 0.00 -0.57 0.00 0.00 34.95 31.06 2kvv s ARG 43 CO -0.11 0.46 -0.01 0.08 -1.08 0.00 0.00 175.30 174.64 2kvv s VAL 44 N -0.57 4.01 -0.35 4.99 1.01 -1.22 -5.01 120.40 123.26 2kvv s VAL 44 Ca 0.33 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 2kvv s VAL 44 Cb -0.20 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2kvv s VAL 44 CO 0.20 0.46 0.65 -0.55 0.00 0.00 0.00 175.10 175.87 2kvv s SER 45 N 0.62 6.45 -1.21 3.32 0.15 -1.26 -4.38 113.70 117.39 2kvv s SER 45 Ca -0.01 0.22 -0.21 0.00 0.70 0.00 0.00 55.95 56.65 2kvv s SER 45 Cb -0.14 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 2kvv s SER 45 CO 0.02 -0.59 1.85 -2.84 1.20 0.00 0.00 173.24 172.89 2kvv s PRO 46 N 2.73 3.06 -1.43 5.44 0.02 -1.26 -4.03 135.00 139.53 2kvv s PRO 46 Ca 0.25 -1.43 -0.04 0.00 0.02 0.00 0.00 61.00 59.80 2kvv s PRO 46 Cb -0.14 -5.35 0.02 0.00 0.02 0.00 0.00 34.50 29.05 2kvv s PRO 46 CO 0.14 -3.30 0.37 0.43 -0.33 0.00 0.00 177.00 174.32 2kvv n SER 47 N 12.08 -5.05 0.00 2.53 7.64 -1.26 -4.60 113.62 124.95 2kvv n SER 47 Ca 0.46 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2kvv n SER 47 Cb 0.46 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 2kvv n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kvv n GLY 48 N -1.22 2.68 3.58 0.23 0.00 -1.26 -4.96 105.19 104.24 2kvv n GLY 48 Ca -0.11 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.66 2.87 -0.03 1.61 2.02 -1.26 -4.52 118.70 114.72 2kvv s GLU 49 Ca 0.00 -1.25 0.11 0.00 0.02 0.00 0.00 54.97 53.85 2kvv s GLU 49 Cb 0.00 -5.29 0.32 0.00 0.10 0.00 0.00 34.13 29.26 2kvv s GLU 49 CO 0.00 -3.48 1.27 1.63 0.02 0.00 0.00 175.26 174.70 2kvv n LYS 50 N 8.39 2.88 -4.48 1.61 4.76 -1.26 -4.99 118.16 125.06 2kvv n LYS 50 Ca 0.45 -2.16 -0.32 0.00 -2.87 0.00 0.00 58.31 53.41 2kvv n LYS 50 Cb 0.47 -1.36 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 2kvv n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2kvv s THR 51 N -1.35 3.45 -2.31 -0.18 -4.23 -1.26 -5.01 115.64 104.75 2kvv s THR 51 Ca 0.25 -0.90 0.22 0.00 -1.18 0.00 0.00 61.69 60.08 2kvv s THR 51 Cb 0.15 -2.50 0.47 0.00 1.34 0.00 0.00 72.50 71.96 2kvv s THR 51 CO 0.13 0.36 1.57 0.18 -0.54 0.00 0.00 174.62 176.32 2kvv n LEU 52 N 1.48 1.66 -3.91 4.79 7.99 -1.26 -4.57 117.00 123.18 2kvv n LEU 52 Ca -0.15 -0.67 -0.28 0.00 -0.01 0.00 0.00 56.01 54.89 2kvv n LEU 52 Cb 0.52 -0.09 -0.12 0.00 -0.11 0.00 0.00 43.42 43.62 2kvv n LEU 52 CO 0.30 0.34 -0.04 -0.13 -1.51 0.00 0.00 177.39 176.35 2kvv s ARG 53 N -1.82 2.43 0.09 3.23 1.81 -1.26 -5.09 118.95 118.35 2kvv s ARG 53 Ca 0.33 -3.30 -0.30 0.00 -1.72 0.00 0.00 55.73 50.74 2kvv s ARG 53 Cb 0.18 -3.42 -0.06 0.00 -0.45 0.00 0.00 34.95 31.20 2kvv s ARG 53 CO 0.27 -1.27 1.13 0.20 -0.68 0.00 0.00 175.30 174.95 2kvv s GLY 54 N -1.38 2.63 -0.36 -3.53 0.00 -1.26 -5.01 107.32 98.42 2kvv s GLY 54 Ca 0.24 0.79 -0.26 0.00 0.00 0.00 0.00 44.72 45.49 2kvv s GLY 54 CO -0.15 1.86 0.92 -1.59 0.00 0.00 0.00 173.10 174.13 2kvv s THR 55 N 0.62 4.61 -0.15 0.90 2.01 -1.26 -4.96 115.64 117.40 2kvv s THR 55 Ca 0.55 1.21 -0.20 0.00 0.31 0.00 0.00 61.69 63.56 2kvv s THR 55 Cb -0.28 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2kvv s THR 55 CO 0.31 -0.50 0.55 -0.89 -0.69 0.00 0.00 174.62 173.40 2kvv s THR 56 N 3.42 5.11 -0.16 -0.82 2.01 -1.26 -3.38 115.64 120.57 2kvv s THR 56 Ca 0.38 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.39 2kvv s THR 56 Cb -0.12 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2kvv s THR 56 CO 0.18 0.23 0.05 0.26 -0.69 0.00 0.00 174.62 174.65 2kvv s TRP 57 N 1.16 3.25 0.02 4.92 0.52 -1.13 -4.33 118.94 123.35 2kvv s TRP 57 Ca 0.28 0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.51 2kvv s TRP 57 Cb -0.16 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2kvv s TRP 57 CO 0.11 0.26 0.09 0.71 0.02 0.00 0.00 176.95 178.14 2kvv s TYR 58 N -0.01 3.28 -0.55 -1.98 1.51 0.34 -2.07 117.35 117.88 2kvv s TYR 58 Ca 0.05 0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 56.01 2kvv s TYR 58 Cb -0.12 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2kvv s TYR 58 CO 0.01 0.55 1.26 -0.80 -1.11 0.00 0.00 175.55 175.45 2kvv s ASN 59 N -1.97 6.39 0.15 2.29 0.01 0.35 -0.85 114.94 121.30 2kvv s ASN 59 Ca 0.25 0.24 -0.18 0.00 -0.71 0.00 0.00 52.86 52.46 2kvv s ASN 59 Cb -0.12 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.03 2kvv s ASN 59 CO 0.17 -1.51 1.68 0.22 -1.51 0.00 0.00 177.10 176.15 2kvv h TYR 60 N 9.95 -0.20 -0.74 2.20 3.20 -1.46 -1.98 116.97 127.94 2kvv h TYR 60 Ca -0.25 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.67 2kvv h TYR 60 Cb 1.07 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 2kvv h TYR 60 CO 1.03 -0.15 0.47 -1.00 -1.64 0.00 0.00 178.16 176.87 2kvv h PRO 61 N -0.02 0.91 -0.59 1.82 0.13 -1.92 0.28 132.00 132.61 2kvv h PRO 61 Ca 0.15 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 2kvv h PRO 61 Cb 0.25 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 2kvv h PRO 61 CO -0.33 0.61 -0.04 0.93 -0.23 0.00 0.00 178.00 178.94 2kvv h GLU 62 N 0.94 1.06 -0.42 0.86 4.39 -1.84 0.63 114.58 120.21 2kvv h GLU 62 Ca 0.29 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 2kvv h GLU 62 Cb -0.03 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2kvv h GLU 62 CO -0.09 1.06 -0.15 0.82 -1.16 0.00 0.00 179.01 179.49 2kvv h ILE 63 N 0.96 1.28 -0.86 3.13 2.04 -1.11 -1.65 117.51 121.29 2kvv h ILE 63 Ca 0.16 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2kvv h ILE 63 Cb 0.60 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 2kvv h ILE 63 CO 0.04 0.43 0.55 -1.13 0.00 0.00 0.00 178.15 178.04 2kvv h ASN 64 N 0.66 1.01 -0.76 1.72 -0.73 -0.76 0.65 115.58 117.37 2kvv h ASN 64 Ca 0.10 -0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.24 2kvv h ASN 64 Cb 0.69 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 2kvv h ASN 64 CO 0.05 0.75 0.49 0.50 -0.37 0.00 0.00 177.43 178.85 2kvv h LYS 65 N 1.17 0.96 -0.67 6.67 3.64 -0.73 -0.96 116.57 126.65 2kvv h LYS 65 Ca 0.31 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2kvv h LYS 65 Cb -0.10 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.48 2kvv h LYS 65 CO -0.06 0.63 0.25 0.35 -2.27 0.00 0.00 179.45 178.35 2kvv h PHE 66 N 0.98 1.00 -0.55 1.91 3.57 -0.56 -1.36 116.94 121.93 2kvv h PHE 66 Ca 0.29 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2kvv h PHE 66 Cb -0.06 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 2kvv h PHE 66 CO -0.03 0.77 0.35 0.82 -2.23 0.00 0.00 178.31 177.99 2kvv h ILE 67 N 0.97 1.10 -0.04 1.41 2.04 -0.13 -0.63 117.51 122.22 2kvv h ILE 67 Ca 0.22 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2kvv h ILE 67 Cb 0.21 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2kvv h ILE 67 CO -0.02 0.13 -0.09 0.03 0.00 0.00 0.00 178.15 178.20 2kvv h ARG 68 N 0.70 -0.13 -0.65 2.37 2.47 -0.78 0.15 114.38 118.51 2kvv h ARG 68 Ca 0.21 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.03 2kvv h ARG 68 Cb -0.03 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 2kvv h ARG 68 CO -0.07 -0.09 0.43 0.22 0.56 0.00 0.00 179.97 181.02 2kvv h ASP 69 N -0.13 0.50 0.08 7.04 3.58 -0.90 -2.32 116.42 124.27 2kvv h ASP 69 Ca 0.05 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.31 2kvv h ASP 69 Cb 0.20 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kvv h ASP 69 CO -0.12 0.31 -0.98 0.28 -2.88 0.00 0.00 179.24 175.86 2kvv h SER 70 N 0.56 0.26 0.18 2.28 0.02 -0.77 -3.40 113.55 112.69 2kvv h SER 70 Ca 0.29 -0.85 -0.24 0.00 -0.84 0.00 0.00 61.79 60.15 2kvv h SER 70 Cb 0.42 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.88 2kvv h SER 70 CO -0.09 1.43 -0.98 0.25 -1.14 0.00 0.00 176.83 176.29 2kvv h LEU 71 N -0.57 0.71 -8.53 5.07 5.85 -0.60 -3.43 115.31 113.81 2kvv h LEU 71 Ca -0.22 -0.56 -0.46 0.00 0.84 0.00 0.00 57.88 57.48 2kvv h LEU 71 Cb 1.51 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2kvv h LEU 71 CO 0.02 1.36 1.65 -0.62 -0.34 0.00 0.00 178.44 180.52 2kvv n GLU 72 N -3.80 0.90 -2.54 1.25 -0.58 -0.88 -4.85 120.64 110.14 2kvv n GLU 72 Ca -0.09 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.23 2kvv n GLU 72 Cb 0.85 -3.19 -0.01 0.00 -0.57 0.00 0.00 31.44 28.53 2kvv n GLU 72 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kvv s HIS 73 N 11.85 2.71 -1.27 -0.32 3.76 -1.26 -4.59 115.29 126.16 2kvv s HIS 73 Ca 1.03 -1.46 0.10 0.00 -0.15 0.00 0.00 55.06 54.59 2kvv s HIS 73 Cb -0.32 -4.70 0.10 0.00 1.11 0.00 0.00 32.58 28.78 2kvv s HIS 73 CO 0.29 -1.76 0.88 1.58 -0.85 0.00 0.00 174.74 174.88 2kvv n HIS 74 N 8.89 0.05 -3.45 1.40 -0.00 -1.26 -4.96 115.22 115.88 2kvv n HIS 74 Ca 0.49 -0.05 0.01 0.00 -0.00 0.00 0.00 57.72 58.16 2kvv n HIS 74 Cb 0.46 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 2kvv n HIS 74 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvv s HIS 75 N -0.89 -1.06 -0.18 1.57 5.04 -1.26 -5.16 115.29 113.35 2kvv s HIS 75 Ca 0.13 1.67 -0.09 0.00 -1.54 0.00 0.00 55.06 55.23 2kvv s HIS 75 Cb 0.09 0.57 -0.05 0.00 0.04 0.00 0.00 32.58 33.24 2kvv s HIS 75 CO 0.13 -0.54 0.13 -1.01 -2.34 0.00 0.00 174.74 171.12 2kvv s HIS 76 N 2.72 3.45 -0.86 3.88 0.09 -1.26 -4.94 115.29 118.37 2kvv s HIS 76 Ca -0.01 0.37 0.08 0.00 -0.00 0.00 0.00 55.06 55.50 2kvv s HIS 76 Cb -0.10 -2.10 0.11 0.00 -0.00 0.00 0.00 32.58 30.49 2kvv s HIS 76 CO -0.18 0.40 0.89 1.58 -0.00 0.00 0.00 174.74 177.42 2kvv n HIS 77 N 3.14 0.11 -0.16 1.40 -0.00 -1.26 -5.30 115.22 113.15 2kvv n HIS 77 Ca -0.17 -0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.39 2kvv n HIS 77 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2kvv n HIS 77 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06