#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 0.00 -5.58 3.04 0.00 -2.13 -3.49 119.26 111.11 2kvv h ALA 2 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 2kvv h ALA 2 Cb 0.00 0.07 0.18 0.00 0.00 0.00 0.00 17.79 18.04 2kvv h ALA 2 CO 0.00 0.07 -0.83 1.04 0.00 0.00 0.00 179.25 179.53 2kvv n GLN 3 N -3.36 -4.07 -2.72 0.00 6.02 -1.26 -4.93 117.38 107.06 2kvv n GLN 3 Ca -0.01 0.84 -0.43 0.00 -0.01 0.00 0.00 57.00 57.39 2kvv n GLN 3 Cb 0.04 -5.77 -0.02 0.00 1.02 0.00 0.00 30.24 25.50 2kvv n GLN 3 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kvv s ILE 4 N -3.39 4.36 -0.50 5.09 -1.09 -1.26 -4.97 121.20 119.44 2kvv s ILE 4 Ca 0.26 -1.59 -0.27 0.00 -2.23 0.00 0.00 60.65 56.81 2kvv s ILE 4 Cb -0.04 -5.01 -0.01 0.00 -1.58 0.00 0.00 42.46 35.83 2kvv s ILE 4 CO 0.74 -1.81 1.71 -0.63 -1.23 0.00 0.00 174.94 173.73 2kvv s ILE 5 N 3.64 3.52 -0.22 2.92 -1.09 -1.26 -4.95 121.20 123.77 2kvv s ILE 5 Ca 0.44 0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 59.27 2kvv s ILE 5 Cb -0.01 -3.98 0.07 0.00 -1.58 0.00 0.00 42.46 36.96 2kvv s ILE 5 CO -0.03 -0.81 0.05 -0.36 -1.23 0.00 0.00 174.94 172.56 2kvv s PHE 6 N 7.52 1.02 -0.34 3.97 0.08 -1.26 -5.00 117.98 123.97 2kvv s PHE 6 Ca 0.67 -0.95 0.15 0.00 0.12 0.00 0.00 56.93 56.92 2kvv s PHE 6 Cb -0.15 -1.09 0.43 0.00 -0.57 0.00 0.00 43.02 41.64 2kvv s PHE 6 CO 0.26 -0.66 1.34 -1.71 -0.10 0.00 0.00 175.22 174.35 2kvv n ASN 7 N 5.05 -0.61 -4.55 1.36 4.05 -1.26 -5.08 115.26 114.21 2kvv n ASN 7 Ca -0.08 -2.30 -0.38 0.00 0.45 0.00 0.00 54.58 52.27 2kvv n ASN 7 Cb 0.46 0.39 -0.03 0.00 1.23 0.00 0.00 39.78 41.82 2kvv n ASN 7 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2kvv s GLU 8 N -1.05 3.00 -0.26 1.20 8.01 -1.26 -4.72 118.70 123.62 2kvv s GLU 8 Ca 0.18 -0.19 -0.29 0.00 0.01 0.00 0.00 54.97 54.68 2kvv s GLU 8 Cb 0.41 -4.63 -0.00 0.00 -4.31 0.00 0.00 34.13 25.60 2kvv s GLU 8 CO -0.08 -2.54 1.25 -1.21 0.01 0.00 0.00 175.26 172.69 2kvv s GLU 9 N 6.17 4.05 -0.24 1.61 0.41 -1.26 -4.99 118.70 124.45 2kvv s GLU 9 Ca 0.52 1.36 -0.11 0.00 -0.41 0.00 0.00 54.97 56.33 2kvv s GLU 9 Cb -0.07 -3.81 -0.05 0.00 -1.78 0.00 0.00 34.13 28.42 2kvv s GLU 9 CO 0.09 -0.94 0.21 -1.58 -0.49 0.00 0.00 175.26 172.54 2kvv s TRP 10 N 3.95 3.30 0.09 1.61 0.52 -1.26 -2.21 118.94 124.94 2kvv s TRP 10 Ca 0.54 0.26 -0.25 0.00 0.02 0.00 0.00 56.10 56.67 2kvv s TRP 10 Cb -0.17 -2.34 0.07 0.00 -1.15 0.00 0.00 33.47 29.88 2kvv s TRP 10 CO 0.18 0.00 0.62 0.00 0.02 0.00 0.00 176.95 177.77 2kvv s MET 11 N 1.27 1.20 0.90 4.98 0.23 -1.22 -4.96 119.30 121.70 2kvv s MET 11 Ca 0.09 -0.24 -0.13 0.00 -1.03 0.00 0.00 55.69 54.38 2kvv s MET 11 Cb -0.14 0.56 0.17 0.00 -1.53 0.00 0.00 34.83 33.88 2kvv s MET 11 CO 0.06 -0.48 1.25 0.14 -2.03 0.00 0.00 175.02 173.96 2kvv s VAL 12 N -2.91 2.03 0.17 5.16 -7.23 -1.26 -1.12 120.40 115.23 2kvv s VAL 12 Ca -0.03 -0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 59.92 2kvv s VAL 12 Cb -0.01 -2.95 0.06 0.00 0.56 0.00 0.00 36.38 34.04 2kvv s VAL 12 CO -0.05 0.00 1.75 -0.08 -0.31 0.00 0.00 175.10 176.41 2kvv h GLU 13 N -1.38 0.32 -0.93 4.82 4.81 -1.98 0.36 114.58 120.60 2kvv h GLU 13 Ca -0.44 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2kvv h GLU 13 Cb 1.26 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2kvv h GLU 13 CO 0.43 0.21 0.54 -0.22 -0.73 0.00 0.00 179.01 179.24 2kvv h LYS 14 N 0.33 1.28 -0.03 1.92 3.11 -2.00 0.37 116.57 121.55 2kvv h LYS 14 Ca 0.20 -0.13 -0.19 0.00 -2.81 0.00 0.00 60.65 57.72 2kvv h LYS 14 Cb 0.18 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 2kvv h LYS 14 CO -0.20 0.91 -0.81 0.00 -2.81 0.00 0.00 179.45 176.55 2kvv h ALA 15 N 1.30 0.58 -0.11 5.00 0.00 -1.80 -3.31 119.26 120.92 2kvv h ALA 15 Ca 0.33 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2kvv h ALA 15 Cb -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kvv h ALA 15 CO -0.06 0.84 -0.04 1.25 0.00 0.00 0.00 179.25 181.24 2kvv h LEU 16 N 0.17 0.22 -1.63 0.00 7.12 0.40 -2.92 115.31 118.67 2kvv h LEU 16 Ca -0.04 -0.40 0.10 0.00 0.13 0.00 0.00 57.88 57.68 2kvv h LEU 16 Cb 1.40 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 41.43 2kvv h LEU 16 CO 0.13 0.57 0.42 0.00 -0.13 0.00 0.00 178.44 179.42 2kvv h MET 17 N -0.13 0.40 -0.09 1.25 -0.00 -1.06 -0.10 114.93 115.20 2kvv h MET 17 Ca 0.03 -0.02 -0.16 0.00 -0.00 0.00 0.00 59.70 59.54 2kvv h MET 17 Cb 0.48 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.98 2kvv h MET 17 CO 0.01 0.26 -0.64 0.28 -0.00 0.00 0.00 176.91 176.83 2kvv h VAL 18 N 0.41 1.38 0.00 -0.10 2.07 -1.63 0.40 116.25 118.78 2kvv h VAL 18 Ca 0.29 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2kvv h VAL 18 Cb 0.58 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2kvv h VAL 18 CO -0.08 0.60 -0.52 0.03 0.02 0.00 0.00 177.57 177.62 2kvv h ARG 19 N 0.24 0.00 0.00 1.57 2.47 -0.99 -3.37 114.38 114.30 2kvv h ARG 19 Ca -0.01 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.52 2kvv h ARG 19 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 2kvv h ARG 19 CO 0.11 0.00 -1.78 0.25 0.56 0.00 0.00 179.97 179.11 2kvv n THR 20 N -2.20 0.73 -0.50 2.04 -2.24 -0.19 -5.02 114.28 106.90 2kvv n THR 20 Ca 0.03 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2kvv n THR 20 Cb 0.45 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.24 0.75 3.94 3.38 0.00 0.12 -5.07 105.19 110.54 2kvv n GLY 21 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 3.66 0.30 0.99 1.02 -1.14 -5.04 118.68 118.47 2kvv s LEU 22 Ca 0.00 0.45 0.07 0.00 0.02 0.00 0.00 54.13 54.68 2kvv s LEU 22 Cb 0.00 -3.33 -0.03 0.00 0.02 0.00 0.00 46.19 42.85 2kvv s LEU 22 CO 0.00 -0.66 0.28 -0.83 0.02 0.00 0.00 176.35 175.16 2kvv s GLY 23 N -4.18 1.62 0.28 -3.19 0.00 -1.26 -4.58 107.32 96.01 2kvv s GLY 23 Ca 0.47 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2kvv s GLY 23 CO 0.39 -1.51 1.76 0.00 0.00 0.00 0.00 173.10 173.74 2kvv h ALA 24 N 1.30 1.42 -0.85 3.20 0.00 -1.98 0.10 119.26 122.45 2kvv h ALA 24 Ca -0.46 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2kvv h ALA 24 Cb 1.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2kvv h ALA 24 CO 0.59 -0.12 0.55 0.00 0.00 0.00 0.00 179.25 180.27 2kvv h ARG 25 N 0.63 0.84 -0.04 0.00 3.08 -1.99 -0.37 114.38 116.52 2kvv h ARG 25 Ca 0.51 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.43 2kvv h ARG 25 Cb 0.79 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2kvv h ARG 25 CO -0.40 0.56 -0.29 1.96 -1.07 0.00 0.00 179.97 180.73 2kvv h GLN 26 N 0.87 0.28 -0.23 0.04 4.20 -1.24 -2.92 115.11 116.10 2kvv h GLN 26 Ca 0.38 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2kvv h GLN 26 Cb 0.34 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2kvv h GLN 26 CO -0.15 0.90 0.06 0.82 -0.67 0.00 0.00 178.83 179.79 2kvv h ILE 27 N -0.27 1.21 -0.76 2.54 2.04 -0.89 -2.34 117.51 119.04 2kvv h ILE 27 Ca -0.02 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.18 2kvv h ILE 27 Cb 0.97 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2kvv h ILE 27 CO 0.06 0.21 0.50 1.05 0.00 0.00 0.00 178.15 179.98 2kvv h GLU 28 N 0.19 0.96 -1.00 2.37 4.11 -1.21 0.23 114.58 120.24 2kvv h GLU 28 Ca 0.07 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 59.52 2kvv h GLU 28 Cb 0.27 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2kvv h GLU 28 CO 0.00 0.64 0.65 1.03 0.07 0.00 0.00 179.01 181.39 2kvv h SER 29 N 0.99 1.02 1.31 3.06 0.87 -1.25 -1.39 113.55 118.15 2kvv h SER 29 Ca 0.29 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.72 2kvv h SER 29 Cb -0.06 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 2kvv h SER 29 CO -0.07 0.64 -0.69 1.88 -0.53 0.00 0.00 176.83 178.05 2kvv h TYR 30 N 1.15 0.00 0.00 2.24 0.05 -0.77 -3.11 116.97 116.53 2kvv h TYR 30 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 2kvv h TYR 30 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2kvv h TYR 30 CO -0.00 0.64 0.00 0.00 -1.05 0.00 0.00 178.16 177.75 2kvv h ARG 31 N 0.00 0.00 0.00 4.88 3.08 0.45 0.02 114.38 122.81 2kvv h ARG 31 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2kvv h ARG 31 Cb 1.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 2kvv h ARG 31 CO 0.08 0.00 -0.12 1.96 -1.07 0.00 0.00 179.97 180.83 2kvv h GLN 32 N 0.00 0.00 0.00 0.04 4.20 -1.25 -3.43 115.11 114.67 2kvv h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kvv h GLN 32 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2kvv h GLN 32 CO 0.00 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 2kvv n GLY 33 N -0.33 -0.85 0.39 3.46 0.00 -0.96 -4.98 105.19 101.93 2kvv n GLY 33 Ca -0.01 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 2.06 -1.62 4.61 0.00 -1.36 -3.36 119.26 119.59 2kvv h ALA 34 Ca 0.00 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.42 2kvv h ALA 34 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2kvv h ALA 34 CO 0.00 -0.41 1.22 -1.58 0.00 0.00 0.00 179.25 178.48 2kvv s TRP 35 N -5.58 1.97 -0.05 0.00 0.23 -0.23 -4.91 118.94 110.38 2kvv s TRP 35 Ca -0.09 0.61 -0.13 0.00 -2.03 0.00 0.00 56.10 54.46 2kvv s TRP 35 Cb 0.24 -4.23 -0.05 0.00 0.03 0.00 0.00 33.47 29.46 2kvv s TRP 35 CO 0.79 -2.30 0.33 0.42 0.96 0.00 0.00 176.95 177.16 2kvv s ILE 36 N 7.25 5.18 0.26 2.03 1.01 -1.26 -4.93 121.20 130.75 2kvv s ILE 36 Ca 0.63 0.66 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 2kvv s ILE 36 Cb -0.14 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.57 2kvv s ILE 36 CO 0.25 0.55 1.53 -1.84 0.00 0.00 0.00 174.94 175.44 2kvv n GLU 37 N 2.17 2.42 0.00 2.79 0.28 -1.26 -0.99 120.64 126.05 2kvv n GLU 37 Ca -0.15 0.86 0.00 0.00 -0.16 0.00 0.00 57.16 57.71 2kvv n GLU 37 Cb 0.53 -2.60 0.00 0.00 1.43 0.00 0.00 31.44 30.80 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 2.34 1.47 0.08 -1.84 0.00 0.15 -4.68 105.19 102.71 2kvv n GLY 38 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.94 0.00 1.61 2.07 -1.87 -3.42 116.25 115.57 2kvv h VAL 39 Ca 0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2kvv h VAL 39 Cb 0.00 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2kvv h VAL 39 CO 0.00 0.32 -1.04 1.41 0.02 0.00 0.00 177.57 178.27 2kvv n HIS 40 N -4.58 0.00 -3.78 1.57 8.25 -0.16 -4.86 115.22 111.65 2kvv n HIS 40 Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.19 2kvv n HIS 40 Cb 0.43 -0.14 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.44 -0.10 0.00 4.41 -0.71 -1.17 -1.09 117.98 116.87 2kvv s PHE 41 Ca -0.00 0.06 0.06 0.00 -1.04 0.00 0.00 56.93 56.01 2kvv s PHE 41 Cb 0.08 0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 2kvv s PHE 41 CO 0.47 -0.42 -0.19 0.15 -1.34 0.00 0.00 175.22 173.90 2kvv s LYS 42 N -1.86 1.46 -0.42 1.99 1.02 -0.63 0.33 119.74 121.63 2kvv s LYS 42 Ca -0.10 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 2kvv s LYS 42 Cb -0.04 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.85 2kvv s LYS 42 CO 0.01 0.39 0.91 1.03 -0.92 0.00 0.00 175.35 176.77 2kvv s ARG 43 N -0.62 3.66 -0.25 1.68 0.52 -1.26 -2.63 118.95 120.04 2kvv s ARG 43 Ca 0.07 0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.53 2kvv s ARG 43 Cb -0.08 -3.87 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 2kvv s ARG 43 CO -0.00 -1.10 0.05 0.08 0.02 0.00 0.00 175.30 174.35 2kvv s VAL 44 N 3.61 4.10 0.19 3.52 1.01 0.17 -4.96 120.40 128.04 2kvv s VAL 44 Ca 0.37 -0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2kvv s VAL 44 Cb -0.11 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.27 2kvv s VAL 44 CO 0.23 0.35 0.77 -0.44 0.00 0.00 0.00 175.10 176.01 2kvv s SER 45 N 1.58 7.29 0.00 3.32 0.01 -1.26 -0.29 113.70 124.35 2kvv s SER 45 Ca 0.06 1.59 0.15 0.00 1.31 0.00 0.00 55.95 59.06 2kvv s SER 45 Cb -0.15 -2.48 0.71 0.00 0.21 0.00 0.00 66.02 64.31 2kvv s SER 45 CO 0.02 0.14 1.44 -0.81 0.41 0.00 0.00 173.24 174.44 2kvv n PRO 46 N 1.28 0.14 0.13 12.44 -0.04 -1.26 -4.30 135.00 143.38 2kvv n PRO 46 Ca -0.04 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2kvv n PRO 46 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2kvv n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kvv n SER 47 N -1.36 0.05 0.00 3.54 2.88 -1.26 -5.10 113.62 112.37 2kvv n SER 47 Ca 0.06 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2kvv n SER 47 Cb 0.14 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.87 0.79 3.13 0.46 0.00 -1.26 -5.16 105.19 105.03 2kvv n GLY 48 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2kvv n GLY 48 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kvv n GLU 49 N 0.00 -0.87 -1.88 1.61 0.00 -1.26 -4.86 120.64 113.38 2kvv n GLU 49 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 57.16 54.98 2kvv n GLU 49 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 31.44 30.40 2kvv n GLU 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kvv s LYS 50 N -5.23 4.17 0.23 3.44 3.01 -1.26 -4.83 119.74 119.27 2kvv s LYS 50 Ca 0.60 2.36 0.11 0.00 -1.01 0.00 0.00 55.97 58.03 2kvv s LYS 50 Cb -0.02 -4.00 -0.05 0.00 -1.01 0.00 0.00 37.83 32.76 2kvv s LYS 50 CO 0.42 -0.87 -0.21 0.99 0.51 0.00 0.00 175.35 176.18 2kvv s THR 51 N 4.00 2.35 -0.15 2.17 2.01 -1.26 -5.06 115.64 119.70 2kvv s THR 51 Ca 0.79 -2.22 -0.24 0.00 0.31 0.00 0.00 61.69 60.33 2kvv s THR 51 Cb -0.37 -2.19 -0.21 0.00 0.01 0.00 0.00 72.50 69.74 2kvv s THR 51 CO 0.34 -0.29 0.54 -0.07 -0.69 0.00 0.00 174.62 174.45 2kvv h LEU 52 N 2.72 0.00 -6.57 4.42 -0.00 -2.01 -3.38 115.31 110.48 2kvv h LEU 52 Ca -0.43 -0.75 -0.71 0.00 -0.00 0.00 0.00 57.88 55.99 2kvv h LEU 52 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.83 2kvv h LEU 52 CO 0.55 1.03 2.73 0.54 -0.00 0.00 0.00 178.44 183.29 2kvv n ARG 53 N -4.60 3.03 -3.05 1.13 5.12 -1.26 -4.96 116.66 112.08 2kvv n ARG 53 Ca -0.13 -2.91 -0.40 0.00 -1.93 0.00 0.00 57.85 52.48 2kvv n ARG 53 Cb 0.46 -3.30 -0.05 0.00 -1.16 0.00 0.00 32.46 28.41 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 3.22 2.32 -0.28 -0.13 0.00 -1.26 -4.62 107.32 106.57 2kvv s GLY 54 Ca 0.48 -0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.88 2kvv s GLY 54 CO -0.03 1.31 1.24 -1.59 0.00 0.00 0.00 173.10 174.03 2kvv s THR 55 N 1.44 4.26 -0.55 0.90 2.01 0.60 -4.81 115.64 119.50 2kvv s THR 55 Ca 0.34 1.45 -0.17 0.00 0.31 0.00 0.00 61.69 63.62 2kvv s THR 55 Cb -0.17 -4.18 0.11 0.00 0.01 0.00 0.00 72.50 68.27 2kvv s THR 55 CO 0.14 -0.40 0.56 -0.89 -0.69 0.00 0.00 174.62 173.34 2kvv s THR 56 N 4.03 5.06 0.05 -0.82 2.01 -1.26 -0.66 115.64 124.05 2kvv s THR 56 Ca 0.53 -1.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 2kvv s THR 56 Cb -0.17 -4.36 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 2kvv s THR 56 CO 0.19 -0.91 0.58 0.26 -0.69 0.00 0.00 174.62 174.05 2kvv s TRP 57 N 2.05 3.77 -0.15 4.92 0.52 -1.08 -4.73 118.94 124.24 2kvv s TRP 57 Ca 0.07 1.25 -0.08 0.00 0.02 0.00 0.00 56.10 57.36 2kvv s TRP 57 Cb -0.26 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 2kvv s TRP 57 CO 0.05 0.52 0.11 0.71 0.02 0.00 0.00 176.95 178.36 2kvv s TYR 58 N -0.83 3.44 -0.86 -1.98 2.02 -0.28 -1.60 117.35 117.26 2kvv s TYR 58 Ca 0.30 0.36 -0.25 0.00 -0.37 0.00 0.00 57.07 57.11 2kvv s TYR 58 Cb -0.19 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 2kvv s TYR 58 CO 0.18 0.47 1.54 -0.80 -1.57 0.00 0.00 175.55 175.37 2kvv s ASN 59 N -0.32 6.01 0.18 2.29 -0.87 -0.25 -3.39 114.94 118.58 2kvv s ASN 59 Ca 0.11 -0.79 -0.15 0.00 -1.57 0.00 0.00 52.86 50.45 2kvv s ASN 59 Cb -0.12 -2.56 0.14 0.00 -0.02 0.00 0.00 41.25 38.70 2kvv s ASN 59 CO 0.01 -1.93 1.68 0.22 -2.57 0.00 0.00 177.10 174.51 2kvv h TYR 60 N 10.78 -0.07 -0.84 2.20 3.20 -1.76 -1.57 116.97 128.91 2kvv h TYR 60 Ca -0.02 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2kvv h TYR 60 Cb 1.04 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.33 2kvv h TYR 60 CO 1.19 -0.11 0.49 -1.00 -1.64 0.00 0.00 178.16 177.09 2kvv h PRO 61 N 0.09 0.78 -0.63 1.82 0.13 -1.84 0.19 132.00 132.53 2kvv h PRO 61 Ca 0.22 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 2kvv h PRO 61 Cb 0.33 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.26 2kvv h PRO 61 CO -0.39 0.52 0.14 0.93 -0.23 0.00 0.00 178.00 178.97 2kvv h GLU 62 N 0.81 1.02 -0.28 0.86 4.39 -1.76 -1.37 114.58 118.25 2kvv h GLU 62 Ca 0.41 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 2kvv h GLU 62 Cb 0.39 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2kvv h GLU 62 CO -0.25 0.93 -0.02 0.82 -1.16 0.00 0.00 179.01 179.33 2kvv h ILE 63 N 0.94 1.26 -0.64 3.13 2.04 -0.35 -2.45 117.51 121.45 2kvv h ILE 63 Ca 0.20 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.12 2kvv h ILE 63 Cb 0.38 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2kvv h ILE 63 CO 0.00 0.31 0.38 -1.13 0.00 0.00 0.00 178.15 177.71 2kvv h ASN 64 N 0.28 0.61 -0.94 1.72 -0.73 -0.59 0.14 115.58 116.06 2kvv h ASN 64 Ca 0.08 0.01 0.12 0.00 1.87 0.00 0.00 56.30 58.38 2kvv h ASN 64 Cb 0.46 -0.12 -0.08 0.00 0.27 0.00 0.00 38.32 38.85 2kvv h ASN 64 CO 0.02 0.41 0.60 0.50 -0.37 0.00 0.00 177.43 178.59 2kvv h LYS 65 N 0.74 0.85 -0.17 6.67 3.64 -1.15 -0.36 116.57 126.78 2kvv h LYS 65 Ca 0.27 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2kvv h LYS 65 Cb 0.07 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2kvv h LYS 65 CO -0.13 0.56 -0.37 0.35 -2.27 0.00 0.00 179.45 177.59 2kvv h PHE 66 N 0.87 0.71 -0.48 1.91 3.57 -0.74 -3.17 116.94 119.61 2kvv h PHE 66 Ca 0.46 -0.26 0.07 0.00 3.53 0.00 0.00 57.97 61.77 2kvv h PHE 66 Cb 0.55 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2kvv h PHE 66 CO -0.00 1.01 0.16 0.82 -2.23 0.00 0.00 178.31 178.06 2kvv h ILE 67 N 0.21 0.83 -0.22 1.41 2.04 0.09 -1.20 117.51 120.68 2kvv h ILE 67 Ca 0.00 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2kvv h ILE 67 Cb 0.98 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 2kvv h ILE 67 CO 0.08 0.06 -0.31 0.03 0.00 0.00 0.00 178.15 178.01 2kvv h ARG 68 N 0.33 -0.33 -0.29 2.37 2.47 -1.15 0.39 114.38 118.16 2kvv h ARG 68 Ca 0.23 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.00 2kvv h ARG 68 Cb 0.25 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 2kvv h ARG 68 CO -0.24 -0.22 0.09 0.22 0.56 0.00 0.00 179.97 180.38 2kvv h ASP 69 N -0.34 0.08 0.88 7.04 1.82 -1.42 -0.63 116.42 123.85 2kvv h ASP 69 Ca 0.12 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.74 2kvv h ASP 69 Cb 0.53 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2kvv h ASP 69 CO -0.41 0.08 -0.26 -1.28 -1.61 0.00 0.00 179.24 175.76 2kvv h SER 70 N 0.21 0.00 0.00 2.28 0.87 -0.86 -2.99 113.55 113.06 2kvv h SER 70 Ca 0.13 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 2kvv h SER 70 Cb 0.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2kvv h SER 70 CO -0.14 0.26 -0.66 0.25 -0.53 0.00 0.00 176.83 176.00 2kvv h LEU 71 N 0.00 0.00 -0.27 2.23 5.85 0.25 -3.40 115.31 119.97 2kvv h LEU 71 Ca -0.00 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 58.07 2kvv h LEU 71 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2kvv h LEU 71 CO 0.03 1.15 -0.48 1.05 -0.34 0.00 0.00 178.44 179.86 2kvv h GLU 72 N -1.00 0.00 -6.92 1.25 -0.00 -1.24 -3.45 114.58 103.21 2kvv h GLU 72 Ca -0.17 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.67 2kvv h GLU 72 Cb 0.99 0.00 0.07 0.00 -0.00 0.00 0.00 28.75 29.81 2kvv h GLU 72 CO -0.10 0.48 0.60 -1.01 -0.00 0.00 0.00 179.01 178.97 2kvv s HIS 73 N -3.13 2.95 -0.97 2.06 3.76 -1.13 -4.89 115.29 113.94 2kvv s HIS 73 Ca 0.03 1.45 -0.21 0.00 -0.15 0.00 0.00 55.06 56.18 2kvv s HIS 73 Cb 0.09 -3.61 -0.11 0.00 1.11 0.00 0.00 32.58 30.06 2kvv s HIS 73 CO 0.73 -1.84 1.97 -2.39 -0.85 0.00 0.00 174.74 172.35 2kvv n HIS 74 N 0.32 2.39 -3.34 1.40 1.44 -1.26 -4.67 115.22 111.50 2kvv n HIS 74 Ca 0.03 -2.00 -0.13 0.00 -2.01 0.00 0.00 57.72 53.60 2kvv n HIS 74 Cb 0.44 -2.01 -0.07 0.00 0.12 0.00 0.00 29.99 28.46 2kvv n HIS 74 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kvv s HIS 75 N 5.47 -0.64 -0.23 -1.40 3.76 -1.26 -5.14 115.29 115.85 2kvv s HIS 75 Ca 0.57 -0.25 -0.13 0.00 -0.15 0.00 0.00 55.06 55.10 2kvv s HIS 75 Cb 0.12 -0.30 -0.05 0.00 1.11 0.00 0.00 32.58 33.46 2kvv s HIS 75 CO 0.08 -0.98 0.26 -3.38 -0.85 0.00 0.00 174.74 169.88 2kvv s HIS 76 N 2.03 3.33 0.05 1.40 -3.43 -1.26 -4.95 115.29 112.47 2kvv s HIS 76 Ca 0.13 0.38 -0.30 0.00 -0.80 0.00 0.00 55.06 54.47 2kvv s HIS 76 Cb -0.13 -2.38 -0.09 0.00 -1.43 0.00 0.00 32.58 28.55 2kvv s HIS 76 CO -0.19 0.02 1.89 -1.58 -2.00 0.00 0.00 174.74 172.88 2kvv s HIS 77 N 1.20 1.63 -2.00 0.38 5.04 -1.26 -5.28 115.29 114.99 2kvv s HIS 77 Ca 0.12 -0.25 0.02 0.00 -1.54 0.00 0.00 55.06 53.41 2kvv s HIS 77 Cb -0.14 -4.19 0.10 0.00 0.04 0.00 0.00 32.58 28.39 2kvv s HIS 77 CO 0.06 -5.16 0.59 1.58 -2.34 0.00 0.00 174.74 169.46