#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 -0.70 -0.28 3.04 0.00 -1.26 -5.17 121.76 117.40 2kvv s ALA 2 Ca 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 2kvv s ALA 2 Cb 0.00 0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.41 2kvv s ALA 2 CO 0.00 -0.33 0.76 -1.14 0.00 0.00 0.00 175.76 175.05 2kvv s GLN 3 N -1.95 0.66 0.06 0.00 0.74 -1.26 -5.16 119.66 112.75 2kvv s GLN 3 Ca -0.09 1.06 -0.24 0.00 0.05 0.00 0.00 55.36 56.13 2kvv s GLN 3 Cb -0.03 0.18 -0.06 0.00 1.10 0.00 0.00 33.01 34.20 2kvv s GLN 3 CO 0.00 -0.12 0.72 0.42 -0.55 0.00 0.00 175.29 175.76 2kvv s ILE 4 N 1.29 4.71 -0.31 -2.34 -1.09 -1.26 -5.06 121.20 117.13 2kvv s ILE 4 Ca -0.07 1.54 -0.07 0.00 -2.23 0.00 0.00 60.65 59.81 2kvv s ILE 4 Cb -0.05 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2kvv s ILE 4 CO -0.15 0.41 0.10 -0.63 -1.23 0.00 0.00 174.94 173.45 2kvv s ILE 5 N -0.33 4.06 -0.62 2.92 1.09 -1.26 -5.04 121.20 122.02 2kvv s ILE 5 Ca 0.36 -0.76 -0.02 0.00 -1.10 0.00 0.00 60.65 59.13 2kvv s ILE 5 Cb -0.20 -3.15 0.16 0.00 -1.06 0.00 0.00 42.46 38.21 2kvv s ILE 5 CO 0.22 0.00 0.42 -0.36 -0.10 0.00 0.00 174.94 175.13 2kvv s PHE 6 N 1.50 3.38 -1.46 3.97 0.08 -1.26 -4.99 117.98 119.19 2kvv s PHE 6 Ca 0.02 -2.79 -0.11 0.00 0.12 0.00 0.00 56.93 54.17 2kvv s PHE 6 Cb -0.18 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.07 2kvv s PHE 6 CO 0.03 -0.82 2.60 0.27 -0.10 0.00 0.00 175.22 177.20 2kvv n ASN 7 N 3.40 6.53 -4.53 1.36 6.94 -1.26 -4.87 115.26 122.83 2kvv n ASN 7 Ca 0.08 -2.64 -0.37 0.00 -0.02 0.00 0.00 54.58 51.63 2kvv n ASN 7 Cb 0.37 -1.53 -0.03 0.00 -2.36 0.00 0.00 39.78 36.24 2kvv n ASN 7 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2kvv n GLU 8 N 4.62 2.45 -2.57 -3.83 1.02 -1.26 -4.76 120.64 116.30 2kvv n GLU 8 Ca 0.66 -2.87 -0.43 0.00 -0.02 0.00 0.00 57.16 54.49 2kvv n GLU 8 Cb 0.28 -3.58 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 2kvv n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kvv n GLU 9 N 8.24 3.25 -2.62 3.49 -0.58 -1.26 -4.98 120.64 126.17 2kvv n GLU 9 Ca 0.47 -3.40 -0.43 0.00 -0.42 0.00 0.00 57.16 53.39 2kvv n GLU 9 Cb 0.46 -3.29 -0.02 0.00 -0.57 0.00 0.00 31.44 28.02 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 2.96 3.36 0.19 -0.32 0.52 -1.26 -3.18 118.94 121.21 2kvv s TRP 10 Ca 0.49 1.45 -0.13 0.00 0.02 0.00 0.00 56.10 57.92 2kvv s TRP 10 Cb 0.04 -3.27 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 2kvv s TRP 10 CO 0.03 -0.59 0.42 0.00 0.02 0.00 0.00 176.95 176.83 2kvv s MET 11 N 2.47 1.31 0.90 4.98 0.23 -1.19 -5.00 119.30 123.00 2kvv s MET 11 Ca 0.49 -1.04 -0.12 0.00 -1.03 0.00 0.00 55.69 53.99 2kvv s MET 11 Cb -0.19 0.45 0.17 0.00 -1.53 0.00 0.00 34.83 33.74 2kvv s MET 11 CO 0.15 -0.52 1.24 0.14 -2.03 0.00 0.00 175.02 173.99 2kvv s VAL 12 N -3.93 2.04 0.20 5.16 -7.23 -1.26 -0.78 120.40 114.60 2kvv s VAL 12 Ca 0.14 -0.14 -0.07 0.00 -1.81 0.00 0.00 61.98 60.10 2kvv s VAL 12 Cb 0.01 -2.90 0.09 0.00 0.56 0.00 0.00 36.38 34.14 2kvv s VAL 12 CO -0.00 0.00 1.68 -0.08 -0.31 0.00 0.00 175.10 176.39 2kvv h GLU 13 N -1.34 1.02 -0.53 4.82 4.81 -1.98 0.02 114.58 121.40 2kvv h GLU 13 Ca -0.43 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 58.56 2kvv h GLU 13 Cb 1.25 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2kvv h GLU 13 CO 0.40 0.98 0.26 -0.22 -0.73 0.00 0.00 179.01 179.70 2kvv h LYS 14 N 0.94 0.48 -0.37 1.92 3.11 -1.98 -0.26 116.57 120.41 2kvv h LYS 14 Ca 0.18 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.88 2kvv h LYS 14 Cb 0.51 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 2kvv h LYS 14 CO 0.02 0.31 -0.19 0.00 -2.81 0.00 0.00 179.45 176.78 2kvv h ALA 15 N 1.31 0.52 -0.41 5.00 0.00 -1.88 -3.06 119.26 120.73 2kvv h ALA 15 Ca 0.24 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2kvv h ALA 15 Cb 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2kvv h ALA 15 CO -0.19 0.46 0.14 1.25 0.00 0.00 0.00 179.25 180.92 2kvv h LEU 16 N 0.57 0.15 -1.59 0.00 7.12 -0.37 0.67 115.31 121.85 2kvv h LEU 16 Ca 0.08 0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.09 2kvv h LEU 16 Cb 0.75 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2kvv h LEU 16 CO 0.06 0.12 -0.22 0.00 -0.13 0.00 0.00 178.44 178.27 2kvv h MET 17 N 0.30 0.00 -0.14 1.25 -0.00 -1.11 -0.26 114.93 114.97 2kvv h MET 17 Ca 0.19 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.67 2kvv h MET 17 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.79 2kvv h MET 17 CO -0.20 0.22 -0.76 0.28 -0.00 0.00 0.00 176.91 176.45 2kvv h VAL 18 N 0.00 1.29 -0.26 -0.10 2.07 -1.10 -0.01 116.25 118.13 2kvv h VAL 18 Ca -0.00 -1.96 -0.19 0.00 0.82 0.00 0.00 66.70 65.36 2kvv h VAL 18 Cb 0.40 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2kvv h VAL 18 CO 0.03 0.62 -0.59 0.03 0.02 0.00 0.00 177.57 177.68 2kvv h ARG 19 N 0.49 0.85 0.00 1.57 2.47 -0.56 -3.35 114.38 115.86 2kvv h ARG 19 Ca -0.05 -0.57 -0.32 0.00 -1.26 0.00 0.00 59.98 57.78 2kvv h ARG 19 Cb 1.39 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.73 2kvv h ARG 19 CO 0.16 1.20 -1.91 0.25 0.56 0.00 0.00 179.97 180.22 2kvv n THR 20 N -3.99 1.56 -0.34 2.04 -2.24 -0.14 -4.98 114.28 106.18 2kvv n THR 20 Ca -0.05 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2kvv n THR 20 Cb 0.65 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.71 3.80 3.38 0.00 -0.02 -5.07 105.19 109.63 2kvv n GLY 21 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 3.35 0.29 0.99 1.02 -1.20 -5.00 118.68 118.12 2kvv s LEU 22 Ca 0.00 1.79 0.06 0.00 0.02 0.00 0.00 54.13 56.00 2kvv s LEU 22 Cb 0.00 -4.52 -0.03 0.00 0.02 0.00 0.00 46.19 41.66 2kvv s LEU 22 CO 0.00 -1.37 0.34 -0.83 0.02 0.00 0.00 176.35 174.51 2kvv s GLY 23 N -3.07 1.47 0.24 -3.19 0.00 -1.26 -4.60 107.32 96.91 2kvv s GLY 23 Ca 0.62 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 2kvv s GLY 23 CO 0.44 -1.40 1.87 0.00 0.00 0.00 0.00 173.10 174.01 2kvv h ALA 24 N 1.19 1.19 -0.43 3.20 0.00 -1.97 -0.11 119.26 122.32 2kvv h ALA 24 Ca -0.48 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.49 2kvv h ALA 24 Cb 1.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kvv h ALA 24 CO 0.58 0.37 0.30 0.07 0.00 0.00 0.00 179.25 180.57 2kvv h ARG 25 N 1.06 0.19 0.14 0.00 0.11 -2.00 -0.96 114.38 112.92 2kvv h ARG 25 Ca 0.37 -0.01 -0.27 0.00 0.10 0.00 0.00 59.98 60.17 2kvv h ARG 25 Cb 0.08 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.13 2kvv h ARG 25 CO -0.14 0.13 -1.29 0.37 0.10 0.00 0.00 179.97 179.13 2kvv h GLN 26 N 0.20 0.30 -0.27 0.08 4.15 -1.49 -3.25 115.11 114.83 2kvv h GLN 26 Ca 0.20 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 2kvv h GLN 26 Cb 0.53 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2kvv h GLN 26 CO -0.03 1.25 0.12 0.82 -1.93 0.00 0.00 178.83 179.05 2kvv h ILE 27 N -0.24 1.16 -0.46 2.39 2.04 -0.78 -2.19 117.51 119.43 2kvv h ILE 27 Ca -0.26 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2kvv h ILE 27 Cb 1.80 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2kvv h ILE 27 CO 0.11 0.17 0.30 1.05 0.00 0.00 0.00 178.15 179.79 2kvv h GLU 28 N 0.29 0.53 -0.23 2.37 4.11 -1.35 0.17 114.58 120.47 2kvv h GLU 28 Ca 0.09 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.40 2kvv h GLU 28 Cb 0.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2kvv h GLU 28 CO -0.01 0.35 -0.22 1.03 0.07 0.00 0.00 179.01 180.23 2kvv h SER 29 N 0.54 0.42 0.54 3.06 0.87 -1.51 -2.95 113.55 114.52 2kvv h SER 29 Ca 0.18 -0.13 -0.22 0.00 -1.23 0.00 0.00 61.79 60.39 2kvv h SER 29 Cb 0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2kvv h SER 29 CO -0.04 0.65 -0.96 1.88 -0.53 0.00 0.00 176.83 177.83 2kvv h TYR 30 N 0.38 0.40 -0.69 2.24 0.05 -0.43 -3.30 116.97 115.63 2kvv h TYR 30 Ca 0.06 -0.23 0.10 0.00 0.05 0.00 0.00 58.73 58.71 2kvv h TYR 30 Cb 0.60 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 2kvv h TYR 30 CO 0.02 1.07 0.46 0.00 -1.05 0.00 0.00 178.16 178.65 2kvv h ARG 31 N 0.13 0.51 0.00 4.88 3.08 -0.57 0.29 114.38 122.70 2kvv h ARG 31 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2kvv h ARG 31 Cb 1.61 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2kvv h ARG 31 CO 0.15 0.34 0.00 1.04 -1.07 0.00 0.00 179.97 180.43 2kvv n GLN 32 N -4.48 0.90 0.16 0.04 6.02 -1.22 -4.29 117.38 114.51 2kvv n GLN 32 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2kvv n GLN 32 Cb 0.37 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.13 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 0.80 -1.42 0.25 1.08 0.00 -0.77 -4.99 105.19 100.13 2kvv n GLY 33 Ca 0.22 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 0.77 -1.78 4.61 0.00 -0.77 -3.41 119.26 118.68 2kvv h ALA 34 Ca 0.00 -0.42 -0.56 0.00 0.00 0.00 0.00 54.91 53.92 2kvv h ALA 34 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2kvv h ALA 34 CO 0.00 0.65 1.17 -1.58 0.00 0.00 0.00 179.25 179.49 2kvv s TRP 35 N -4.40 2.11 -0.21 0.00 0.23 -0.17 -4.98 118.94 111.52 2kvv s TRP 35 Ca -0.09 0.64 -0.05 0.00 -2.03 0.00 0.00 56.10 54.57 2kvv s TRP 35 Cb 0.12 -4.24 -0.02 0.00 0.03 0.00 0.00 33.47 29.36 2kvv s TRP 35 CO 0.85 -2.37 0.01 0.42 0.96 0.00 0.00 176.95 176.81 2kvv s ILE 36 N 6.29 3.97 0.64 2.03 1.01 -1.26 -4.88 121.20 129.00 2kvv s ILE 36 Ca 0.68 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 2kvv s ILE 36 Cb -0.17 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 2kvv s ILE 36 CO 0.32 0.41 1.19 -1.83 0.00 0.00 0.00 174.94 175.03 2kvv s GLU 37 N 1.15 2.69 0.00 2.79 -1.05 -1.26 -0.57 118.70 122.45 2kvv s GLU 37 Ca 0.03 1.74 0.00 0.00 -0.15 0.00 0.00 54.97 56.59 2kvv s GLU 37 Cb -0.14 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 2kvv s GLU 37 CO 0.02 -1.41 0.00 0.41 0.95 0.00 0.00 175.26 175.23 2kvv n GLY 38 N 0.33 1.12 0.03 -3.83 0.00 0.19 -4.61 105.19 98.41 2kvv n GLY 38 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.98 -3.44 116.25 114.52 2kvv h VAL 39 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 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 -1.34 1.41 0.02 0.00 0.00 177.57 177.66 2kvv n HIS 40 N -3.22 0.08 -3.86 1.57 8.25 0.26 -4.91 115.22 113.41 2kvv n HIS 40 Ca -0.03 0.02 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 2kvv n HIS 40 Cb 0.10 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 30.91 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 -3.23 -0.10 -0.09 4.41 -0.12 -1.15 -0.88 117.98 116.81 2kvv s PHE 41 Ca 0.01 -0.40 -0.14 0.00 -0.05 0.00 0.00 56.93 56.35 2kvv s PHE 41 Cb 0.15 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 43.29 2kvv s PHE 41 CO 0.86 -1.30 0.36 -1.59 -0.05 0.00 0.00 175.22 173.51 2kvv s LYS 42 N -3.58 0.54 0.07 1.99 0.00 -0.30 0.54 119.74 119.01 2kvv s LYS 42 Ca 0.12 0.26 -0.20 0.00 0.00 0.00 0.00 55.97 56.15 2kvv s LYS 42 Cb -0.06 0.25 -0.07 0.00 0.00 0.00 0.00 37.83 37.96 2kvv s LYS 42 CO 0.08 -0.11 0.59 -0.98 0.00 0.00 0.00 175.35 174.93 2kvv s ARG 43 N -0.40 4.24 -0.23 1.78 1.70 -1.26 -1.16 118.95 123.62 2kvv s ARG 43 Ca -0.05 0.77 -0.03 0.00 -0.47 0.00 0.00 55.73 55.95 2kvv s ARG 43 Cb -0.03 -3.25 0.01 0.00 -0.57 0.00 0.00 34.95 31.10 2kvv s ARG 43 CO 0.02 0.61 -0.06 0.08 -1.08 0.00 0.00 175.30 174.87 2kvv s VAL 44 N -1.02 3.09 0.19 4.99 1.01 -0.73 -4.93 120.40 123.00 2kvv s VAL 44 Ca 0.30 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2kvv s VAL 44 Cb -0.20 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 2kvv s VAL 44 CO 0.19 0.35 0.50 -0.55 0.00 0.00 0.00 175.10 175.60 2kvv s SER 45 N 1.41 6.62 0.00 3.32 0.15 -1.26 -3.34 113.70 120.61 2kvv s SER 45 Ca 0.04 0.87 0.17 0.00 0.70 0.00 0.00 55.95 57.72 2kvv s SER 45 Cb -0.15 -2.20 0.99 0.00 -1.71 0.00 0.00 66.02 62.95 2kvv s SER 45 CO -0.05 -0.01 1.40 -0.81 1.20 0.00 0.00 173.24 174.98 2kvv n PRO 46 N 0.10 0.57 -1.12 5.44 -0.04 -1.26 -4.80 135.00 133.90 2kvv n PRO 46 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2kvv n PRO 46 Cb 0.52 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2kvv n PRO 46 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kvv n SER 47 N -0.96 0.49 0.00 3.54 3.41 -1.26 -5.16 113.62 113.67 2kvv n SER 47 Ca 0.12 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 2kvv n SER 47 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2kvv n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kvv n GLY 48 N 1.21 -0.16 1.31 5.00 0.00 -1.26 -4.74 105.19 106.55 2kvv n GLY 48 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.98 2kvv n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kvv n GLU 49 N 0.00 3.10 -0.41 1.61 1.02 -1.26 -4.80 120.64 119.90 2kvv n GLU 49 Ca 0.00 -1.76 -0.07 0.00 -0.02 0.00 0.00 57.16 55.31 2kvv n GLU 49 Cb 0.00 -1.92 0.05 0.00 -0.02 0.00 0.00 31.44 29.55 2kvv n GLU 49 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kvv n LYS 50 N 0.30 -0.45 -1.83 3.49 5.02 -1.26 -5.01 118.16 118.42 2kvv n LYS 50 Ca 0.17 -0.46 -0.37 0.00 -2.02 0.00 0.00 58.31 55.63 2kvv n LYS 50 Cb 0.81 -0.32 0.06 0.00 -0.02 0.00 0.00 35.03 35.56 2kvv n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2kvv s THR 51 N -1.64 2.21 0.00 -0.18 2.01 -1.26 -4.98 115.64 111.80 2kvv s THR 51 Ca 0.17 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2kvv s THR 51 Cb -0.01 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.45 2kvv s THR 51 CO 0.12 -0.03 0.23 0.18 -0.69 0.00 0.00 174.62 174.43 2kvv n LEU 52 N -1.79 1.18 -0.57 4.42 7.99 -1.26 -4.71 117.00 122.26 2kvv n LEU 52 Ca 0.15 0.23 -0.07 0.00 -0.01 0.00 0.00 56.01 56.30 2kvv n LEU 52 Cb 0.48 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.76 2kvv n LEU 52 CO 0.46 0.00 -0.07 0.54 -1.51 0.00 0.00 177.39 176.81 2kvv n ARG 53 N -0.42 -1.62 0.00 3.23 5.12 -1.26 -4.22 116.66 117.48 2kvv n ARG 53 Ca 0.00 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 2kvv n ARG 53 Cb 0.00 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 2kvv n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kvv n GLY 54 N 0.14 5.25 3.52 -0.13 0.00 -1.26 -4.99 105.19 107.72 2kvv n GLY 54 Ca -0.07 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 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 3.22 3.60 -0.29 2.61 2.01 -1.21 -4.97 115.64 120.61 2kvv s THR 55 Ca 0.00 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 2kvv s THR 55 Cb 0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2kvv s THR 55 CO 0.00 0.56 0.55 -0.89 -0.69 0.00 0.00 174.62 174.15 2kvv s THR 56 N -0.37 5.02 0.07 -0.82 2.01 -1.26 -1.78 115.64 118.51 2kvv s THR 56 Ca 0.05 0.79 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 2kvv s THR 56 Cb -0.12 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2kvv s THR 56 CO 0.02 -0.03 0.39 0.26 -0.69 0.00 0.00 174.62 174.58 2kvv s TRP 57 N 2.41 3.60 -0.03 4.92 0.52 -0.31 -4.55 118.94 125.50 2kvv s TRP 57 Ca 0.22 0.80 0.03 0.00 0.02 0.00 0.00 56.10 57.17 2kvv s TRP 57 Cb -0.15 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 2kvv s TRP 57 CO 0.10 0.54 -0.10 0.71 0.02 0.00 0.00 176.95 178.22 2kvv s TYR 58 N -1.36 2.82 -0.78 -1.98 2.02 0.04 -1.15 117.35 116.97 2kvv s TYR 58 Ca 0.32 -0.07 -0.25 0.00 -0.37 0.00 0.00 57.07 56.69 2kvv s TYR 58 Cb -0.14 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 2kvv s TYR 58 CO 0.17 0.30 1.24 -0.80 -1.57 0.00 0.00 175.55 174.89 2kvv s ASN 59 N -1.08 6.24 0.18 2.29 -0.87 -0.06 -3.17 114.94 118.47 2kvv s ASN 59 Ca 0.14 -0.80 -0.17 0.00 -1.57 0.00 0.00 52.86 50.46 2kvv s ASN 59 Cb -0.11 -2.53 0.13 0.00 -0.02 0.00 0.00 41.25 38.73 2kvv s ASN 59 CO 0.04 -1.67 1.64 0.22 -2.57 0.00 0.00 177.10 174.76 2kvv h TYR 60 N 9.84 -0.39 -0.65 2.20 3.20 -1.84 -1.04 116.97 128.31 2kvv h TYR 60 Ca -0.18 0.05 0.12 0.00 3.14 0.00 0.00 58.73 61.86 2kvv h TYR 60 Cb 1.05 0.24 -0.09 0.00 1.54 0.00 0.00 36.73 39.47 2kvv h TYR 60 CO 1.12 -0.25 0.17 -1.35 -1.64 0.00 0.00 178.16 176.21 2kvv h PRO 61 N -0.06 0.29 -0.65 1.82 0.11 -1.86 0.26 132.00 131.91 2kvv h PRO 61 Ca 0.22 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 2kvv h PRO 61 Cb 0.40 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 2kvv h PRO 61 CO -0.51 0.19 0.19 0.93 -0.21 0.00 0.00 178.00 178.59 2kvv h GLU 62 N 0.30 1.03 -0.24 1.05 4.39 -1.65 -0.09 114.58 119.36 2kvv h GLU 62 Ca 0.35 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 2kvv h GLU 62 Cb 0.52 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kvv h GLU 62 CO -0.41 0.91 -0.09 0.82 -1.16 0.00 0.00 179.01 179.08 2kvv h ILE 63 N 0.95 1.29 -0.53 3.13 2.04 -0.67 -1.36 117.51 122.36 2kvv h ILE 63 Ca 0.21 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2kvv h ILE 63 Cb 0.32 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2kvv h ILE 63 CO -0.00 0.35 0.35 -1.13 0.00 0.00 0.00 178.15 177.71 2kvv h ASN 64 N 0.20 0.62 -0.12 1.72 -0.00 -0.88 0.16 115.58 117.28 2kvv h ASN 64 Ca 0.06 -0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 56.28 2kvv h ASN 64 Cb 0.57 -0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.72 2kvv h ASN 64 CO 0.03 0.45 -0.08 0.50 -0.00 0.00 0.00 177.43 178.33 2kvv h LYS 65 N 0.72 0.42 0.15 6.67 3.64 -0.75 -3.18 116.57 124.25 2kvv h LYS 65 Ca 0.19 -0.10 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 2kvv h LYS 65 Cb -0.07 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2kvv h LYS 65 CO -0.04 0.51 -0.88 0.35 -2.27 0.00 0.00 179.45 177.12 2kvv h PHE 66 N 0.40 0.59 -1.00 1.91 3.57 -0.07 -3.37 116.94 118.96 2kvv h PHE 66 Ca 0.08 -0.43 0.26 0.00 3.53 0.00 0.00 57.97 61.42 2kvv h PHE 66 Cb 0.39 -0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.98 2kvv h PHE 66 CO 0.01 1.34 0.59 0.82 -2.23 0.00 0.00 178.31 178.84 2kvv h ILE 67 N -0.32 0.48 -0.50 1.41 2.04 -0.72 0.87 117.51 120.77 2kvv h ILE 67 Ca -0.15 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.62 2kvv h ILE 67 Cb 1.69 -0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 2kvv h ILE 67 CO 0.16 0.09 0.00 -0.09 0.00 0.00 0.00 178.15 178.32 2kvv h ARG 68 N 0.52 0.11 -0.33 2.37 2.43 -1.71 -1.78 114.38 115.99 2kvv h ARG 68 Ca 0.67 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 2kvv h ARG 68 Cb 1.34 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2kvv h ARG 68 CO -0.51 0.08 0.22 0.22 -1.51 0.00 0.00 179.97 178.47 2kvv h ASP 69 N 0.12 0.38 -0.34 -3.80 3.58 -1.03 -1.35 116.42 113.99 2kvv h ASP 69 Ca 0.25 -0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.79 2kvv h ASP 69 Cb 0.37 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2kvv h ASP 69 CO -0.41 0.28 0.31 -1.28 -2.88 0.00 0.00 179.24 175.26 2kvv h SER 70 N 0.45 0.00 0.17 2.28 0.87 -1.25 0.69 113.55 116.76 2kvv h SER 70 Ca 0.12 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.34 2kvv h SER 70 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kvv h SER 70 CO -0.03 0.00 -1.74 -0.07 -0.53 0.00 0.00 176.83 174.46 2kvv h LEU 71 N 0.00 0.56 -2.32 2.23 -0.00 -1.30 -3.40 115.31 111.08 2kvv h LEU 71 Ca 0.16 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 57.11 2kvv h LEU 71 Cb 0.79 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2kvv h LEU 71 CO -0.00 1.78 0.00 -1.84 -0.00 0.00 0.00 178.44 178.38 2kvv n GLU 72 N -3.63 1.93 -1.66 1.13 0.28 -0.83 -5.02 120.64 112.84 2kvv n GLU 72 Ca -0.26 -1.66 -0.50 0.00 -0.16 0.00 0.00 57.16 54.58 2kvv n GLU 72 Cb 1.05 -1.22 -0.05 0.00 1.43 0.00 0.00 31.44 32.64 2kvv n GLU 72 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kvv n HIS 73 N 0.48 2.21 -0.73 -1.84 -0.00 0.23 -4.93 115.22 110.64 2kvv n HIS 73 Ca 0.09 0.11 -0.29 0.00 0.46 0.00 0.00 57.72 58.09 2kvv n HIS 73 Cb 0.35 -2.62 0.22 0.00 -0.12 0.00 0.00 29.99 27.82 2kvv n HIS 73 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kvv s HIS 74 N 4.44 1.59 -0.32 1.57 3.76 -1.26 -4.87 115.29 120.21 2kvv s HIS 74 Ca 0.96 1.23 -0.28 0.00 -0.15 0.00 0.00 55.06 56.82 2kvv s HIS 74 Cb -0.77 -3.16 -0.02 0.00 1.11 0.00 0.00 32.58 29.74 2kvv s HIS 74 CO 0.54 -3.46 1.86 -3.38 -0.85 0.00 0.00 174.74 169.45 2kvv s HIS 75 N -2.61 1.71 -0.59 1.40 -3.43 -1.26 -4.95 115.29 105.56 2kvv s HIS 75 Ca 0.67 0.62 -0.18 0.00 -0.80 0.00 0.00 55.06 55.37 2kvv s HIS 75 Cb -0.23 -4.10 0.11 0.00 -1.43 0.00 0.00 32.58 26.93 2kvv s HIS 75 CO 0.62 -3.11 0.68 -1.58 -2.00 0.00 0.00 174.74 169.35 2kvv s HIS 76 N 7.16 3.03 -0.13 0.38 5.04 -1.26 -5.01 115.29 124.49 2kvv s HIS 76 Ca 0.83 -1.01 -0.05 0.00 -1.54 0.00 0.00 55.06 53.28 2kvv s HIS 76 Cb -0.24 -3.99 0.07 0.00 0.04 0.00 0.00 32.58 28.46 2kvv s HIS 76 CO 0.34 -1.26 0.26 -1.01 -2.34 0.00 0.00 174.74 170.73 2kvv s HIS 77 N 2.53 -0.43 -1.63 3.88 3.76 -1.26 -5.31 115.29 116.83 2kvv s HIS 77 Ca 0.10 0.95 0.13 0.00 -0.15 0.00 0.00 55.06 56.10 2kvv s HIS 77 Cb -0.25 -0.04 0.10 0.00 1.11 0.00 0.00 32.58 33.50 2kvv s HIS 77 CO 0.06 -0.37 0.91 1.58 -0.85 0.00 0.00 174.74 176.07