#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 2.92 -0.15 -5.12 0.00 -1.26 -5.08 121.76 113.08 2kvv s ALA 2 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 2kvv s ALA 2 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2kvv s ALA 2 CO 0.00 -0.83 -0.02 1.14 0.00 0.00 0.00 175.76 176.04 2kvv s GLN 3 N 1.44 3.58 -0.38 0.00 -2.07 -1.26 -5.10 119.66 115.87 2kvv s GLN 3 Ca 0.02 -0.49 -0.23 0.00 -1.82 0.00 0.00 55.36 52.84 2kvv s GLN 3 Cb -0.17 -2.91 0.01 0.00 -1.09 0.00 0.00 33.01 28.85 2kvv s GLN 3 CO -0.00 0.32 0.78 0.42 -1.32 0.00 0.00 175.29 175.49 2kvv s ILE 4 N 0.15 4.71 -0.53 3.63 -1.09 -1.26 -5.01 121.20 121.80 2kvv s ILE 4 Ca -0.01 0.78 -0.27 0.00 -2.23 0.00 0.00 60.65 58.93 2kvv s ILE 4 Cb -0.13 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 2kvv s ILE 4 CO 0.02 -0.50 1.06 -0.63 -1.23 0.00 0.00 174.94 173.67 2kvv s ILE 5 N 3.15 4.24 0.17 2.92 1.09 -1.26 -5.02 121.20 126.49 2kvv s ILE 5 Ca 0.31 0.76 -0.30 0.00 -1.10 0.00 0.00 60.65 60.32 2kvv s ILE 5 Cb -0.13 -4.60 -0.08 0.00 -1.06 0.00 0.00 42.46 36.60 2kvv s ILE 5 CO 0.18 -1.12 1.19 -0.36 -0.10 0.00 0.00 174.94 174.73 2kvv s PHE 6 N 4.35 3.44 -2.00 3.97 0.40 -1.26 -4.91 117.98 121.97 2kvv s PHE 6 Ca 0.39 1.43 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 2kvv s PHE 6 Cb -0.09 -3.41 0.06 0.00 0.51 0.00 0.00 43.02 40.08 2kvv s PHE 6 CO 0.25 -1.16 0.81 0.09 0.70 0.00 0.00 175.22 175.92 2kvv n ASN 7 N 2.64 0.00 -2.89 1.36 4.13 -1.26 -4.84 115.26 114.40 2kvv n ASN 7 Ca 0.05 -1.50 -0.22 0.00 1.68 0.00 0.00 54.58 54.58 2kvv n ASN 7 Cb 0.45 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.71 2kvv n ASN 7 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kvv n GLU 8 N -0.52 -3.97 -1.43 3.52 -0.58 -1.26 -4.87 120.64 111.53 2kvv n GLU 8 Ca 0.01 0.88 -0.43 0.00 -0.42 0.00 0.00 57.16 57.20 2kvv n GLU 8 Cb 0.00 -5.68 -0.03 0.00 -0.57 0.00 0.00 31.44 25.16 2kvv n GLU 8 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kvv n GLU 9 N -3.74 2.14 -3.64 3.49 -0.58 -1.26 -4.91 120.64 112.14 2kvv n GLU 9 Ca -0.14 -2.21 -0.36 0.00 -0.42 0.00 0.00 57.16 54.04 2kvv n GLU 9 Cb 0.63 -3.10 -0.09 0.00 -0.57 0.00 0.00 31.44 28.31 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 4.16 3.35 0.02 -0.32 0.52 -1.26 -1.83 118.94 123.58 2kvv s TRP 10 Ca 0.53 0.31 -0.05 0.00 0.02 0.00 0.00 56.10 56.90 2kvv s TRP 10 Cb 0.14 -2.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 2kvv s TRP 10 CO 0.02 0.12 0.09 0.00 0.02 0.00 0.00 176.95 177.20 2kvv s MET 11 N 0.88 0.49 0.83 4.98 0.23 -0.81 -4.84 119.30 121.07 2kvv s MET 11 Ca 0.09 -0.58 -0.11 0.00 -1.03 0.00 0.00 55.69 54.06 2kvv s MET 11 Cb -0.13 0.20 0.09 0.00 -1.53 0.00 0.00 34.83 33.45 2kvv s MET 11 CO 0.03 -0.11 1.09 0.14 -2.03 0.00 0.00 175.02 174.14 2kvv s VAL 12 N -1.88 3.00 0.19 5.16 -7.23 -1.26 -0.46 120.40 117.93 2kvv s VAL 12 Ca -0.11 0.33 -0.16 0.00 -1.81 0.00 0.00 61.98 60.22 2kvv s VAL 12 Cb -0.06 -2.92 0.17 0.00 0.56 0.00 0.00 36.38 34.13 2kvv s VAL 12 CO -0.01 -0.43 1.63 -0.08 -0.31 0.00 0.00 175.10 175.90 2kvv h GLU 13 N -1.27 -0.06 -0.92 4.82 4.81 -2.00 0.21 114.58 120.18 2kvv h GLU 13 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2kvv h GLU 13 Cb 1.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 2kvv h GLU 13 CO 0.56 -0.04 0.56 -0.22 -0.73 0.00 0.00 179.01 179.13 2kvv h LYS 14 N -0.06 1.25 -0.14 1.92 3.11 -1.98 -2.16 116.57 118.51 2kvv h LYS 14 Ca 0.25 -0.11 -0.16 0.00 -2.81 0.00 0.00 60.65 57.82 2kvv h LYS 14 Cb 0.45 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 2kvv h LYS 14 CO -0.58 0.88 -0.59 0.00 -2.81 0.00 0.00 179.45 176.35 2kvv h ALA 15 N 1.30 0.72 0.08 5.00 0.00 -1.62 -3.25 119.26 121.49 2kvv h ALA 15 Ca 0.33 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kvv h ALA 15 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kvv h ALA 15 CO -0.06 0.71 -0.04 1.25 0.00 0.00 0.00 179.25 181.11 2kvv h LEU 16 N 0.35 -0.09 -1.64 0.00 7.12 -0.04 -1.76 115.31 119.26 2kvv h LEU 16 Ca -0.00 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.04 2kvv h LEU 16 Cb 1.13 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 2kvv h LEU 16 CO 0.10 -0.06 0.29 0.00 -0.13 0.00 0.00 178.44 178.65 2kvv h MET 17 N -0.11 0.46 -0.22 1.25 -0.00 -1.48 -0.74 114.93 114.10 2kvv h MET 17 Ca -0.01 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.70 59.52 2kvv h MET 17 Cb 0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.58 2kvv h MET 17 CO 0.02 0.31 -0.43 0.28 -0.00 0.00 0.00 176.91 177.09 2kvv h VAL 18 N 0.48 1.32 -0.00 -0.10 2.07 -1.49 0.08 116.25 118.60 2kvv h VAL 18 Ca 0.17 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2kvv h VAL 18 Cb 0.11 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2kvv h VAL 18 CO -0.04 0.52 -0.21 0.54 0.02 0.00 0.00 177.57 178.39 2kvv n ARG 19 N -4.20 0.20 -0.05 1.57 5.12 -0.70 -3.93 116.66 114.67 2kvv n ARG 19 Ca -0.06 -0.07 -0.05 0.00 -1.93 0.00 0.00 57.85 55.74 2kvv n ARG 19 Cb 0.55 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 2kvv n ARG 19 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2kvv n THR 20 N -1.34 0.68 -0.05 0.55 -2.24 -0.32 -5.02 114.28 106.54 2kvv n THR 20 Ca 0.09 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2kvv n THR 20 Cb 0.32 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 2.41 0.52 3.80 3.38 0.00 0.01 -5.07 105.19 110.24 2kvv n GLY 21 Ca -0.16 0.00 -0.32 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 0.28 0.99 1.02 -1.17 -5.00 118.68 118.09 2kvv s LEU 22 Ca 0.00 1.75 0.04 0.00 0.02 0.00 0.00 54.13 55.94 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 -1.42 0.42 -0.83 0.02 0.00 0.00 176.35 174.54 2kvv s GLY 23 N -3.25 1.29 0.21 -3.19 0.00 -1.26 -4.59 107.32 96.53 2kvv s GLY 23 Ca 0.61 -1.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 2kvv s GLY 23 CO 0.47 -1.17 1.69 0.00 0.00 0.00 0.00 173.10 174.10 2kvv h ALA 24 N 1.02 0.70 0.00 3.20 0.00 -1.97 0.21 119.26 122.43 2kvv h ALA 24 Ca -0.51 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kvv h ALA 24 Cb 1.23 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2kvv h ALA 24 CO 0.60 -0.33 -0.26 0.07 0.00 0.00 0.00 179.25 179.33 2kvv h ARG 25 N 0.22 0.00 0.02 0.00 0.11 -2.00 -2.37 114.38 110.36 2kvv h ARG 25 Ca 0.33 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.16 2kvv h ARG 25 Cb 0.51 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.59 2kvv h ARG 25 CO -0.44 0.26 -1.01 0.37 0.10 0.00 0.00 179.97 179.24 2kvv h GLN 26 N 0.00 0.48 0.15 0.08 4.15 -1.39 -3.00 115.11 115.57 2kvv h GLN 26 Ca -0.00 -0.54 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 2kvv h GLN 26 Cb 0.54 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2kvv h GLN 26 CO 0.03 1.18 -0.07 0.82 -1.93 0.00 0.00 178.83 178.86 2kvv h ILE 27 N 0.26 1.00 -0.89 2.39 2.04 -1.01 -2.88 117.51 118.43 2kvv h ILE 27 Ca -0.10 -0.85 0.14 0.00 1.00 0.00 0.00 64.86 65.05 2kvv h ILE 27 Cb 1.66 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 39.17 2kvv h ILE 27 CO 0.18 0.19 0.57 1.05 0.00 0.00 0.00 178.15 180.14 2kvv h GLU 28 N -0.62 0.69 0.21 2.37 4.11 -1.54 0.38 114.58 120.18 2kvv h GLU 28 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2kvv h GLU 28 Cb 0.47 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2kvv h GLU 28 CO 0.03 0.46 -0.20 1.03 0.07 0.00 0.00 179.01 180.40 2kvv h SER 29 N 0.72 -0.53 0.16 3.06 0.87 -1.52 -2.85 113.55 113.45 2kvv h SER 29 Ca 0.44 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.99 2kvv h SER 29 Cb 0.67 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2kvv h SER 29 CO -0.20 -0.30 -0.22 1.88 -0.53 0.00 0.00 176.83 177.47 2kvv h TYR 30 N -0.43 0.12 0.00 2.24 0.05 -0.99 -2.19 116.97 115.77 2kvv h TYR 30 Ca -0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kvv h TYR 30 Cb 0.40 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 2kvv h TYR 30 CO -0.15 0.33 -0.01 0.00 -1.05 0.00 0.00 178.16 177.28 2kvv h ARG 31 N 0.11 0.00 -0.00 4.88 3.08 -0.74 0.17 114.38 121.87 2kvv h ARG 31 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kvv h ARG 31 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2kvv h ARG 31 CO 0.03 0.01 -0.51 1.04 -1.07 0.00 0.00 179.97 179.47 2kvv n GLN 32 N -3.55 0.11 0.00 0.04 6.02 -0.82 -4.34 117.38 114.84 2kvv n GLN 32 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2kvv n GLN 32 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 1.48 0.16 0.00 1.08 0.00 -0.94 -4.96 105.19 102.01 2kvv n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.94 -2.15 4.61 0.00 0.54 -5.07 120.51 119.37 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 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.94 3.39 -0.03 0.00 0.23 -0.88 -4.91 118.94 115.80 2kvv s TRP 35 Ca 0.00 1.32 -0.00 0.00 -2.03 0.00 0.00 56.10 55.39 2kvv s TRP 35 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 33.47 30.05 2kvv s TRP 35 CO 0.00 -1.42 0.02 0.42 0.96 0.00 0.00 176.95 176.93 2kvv s ILE 36 N 0.36 0.09 0.30 2.03 1.01 -1.26 -4.96 121.20 118.76 2kvv s ILE 36 Ca 0.56 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 2kvv s ILE 36 Cb -0.33 -0.23 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 2kvv s ILE 36 CO 0.34 0.15 1.21 -1.83 0.00 0.00 0.00 174.94 174.82 2kvv s GLU 37 N 1.41 4.49 0.00 2.79 -1.05 -1.26 -0.35 118.70 124.73 2kvv s GLU 37 Ca -0.05 2.02 0.00 0.00 -0.15 0.00 0.00 54.97 56.79 2kvv s GLU 37 Cb -0.13 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.43 2kvv s GLU 37 CO -0.03 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.59 2kvv n GLY 38 N 1.04 2.43 0.81 -3.83 0.00 0.21 -4.82 105.19 101.03 2kvv n GLY 38 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kvv n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kvv n VAL 39 N -2.00 0.00 0.93 1.61 0.31 -0.88 -4.88 118.33 113.41 2kvv n VAL 39 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2kvv n VAL 39 Cb 0.00 -0.68 0.36 0.00 -0.91 0.00 0.00 33.84 32.61 2kvv n VAL 39 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2kvv n HIS 40 N -2.02 0.12 -3.91 3.52 8.25 0.52 -4.70 115.22 117.00 2kvv n HIS 40 Ca 0.00 0.03 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2kvv n HIS 40 Cb 0.00 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 30.72 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 -3.03 0.06 -0.06 4.41 -0.71 -1.04 -0.86 117.98 116.76 2kvv s PHE 41 Ca 0.11 -0.39 -0.27 0.00 -1.04 0.00 0.00 56.93 55.34 2kvv s PHE 41 Cb 0.17 0.66 0.06 0.00 -1.21 0.00 0.00 43.02 42.71 2kvv s PHE 41 CO 0.65 -0.75 0.61 -1.59 -1.34 0.00 0.00 175.22 172.79 2kvv s LYS 42 N -2.12 0.96 -0.62 1.99 -2.85 -0.94 0.67 119.74 116.82 2kvv s LYS 42 Ca 0.24 0.23 -0.28 0.00 -1.00 0.00 0.00 55.97 55.16 2kvv s LYS 42 Cb -0.02 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2kvv s LYS 42 CO 0.04 -0.28 1.30 1.03 0.10 0.00 0.00 175.35 177.53 2kvv s ARG 43 N -1.09 3.34 -0.05 1.78 0.52 -1.26 -2.95 118.95 119.24 2kvv s ARG 43 Ca -0.11 0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.24 2kvv s ARG 43 Cb -0.01 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 2kvv s ARG 43 CO 0.08 -1.92 0.16 0.08 0.02 0.00 0.00 175.30 173.73 2kvv s VAL 44 N 5.60 5.42 0.34 3.52 1.01 -0.52 -4.95 120.40 130.82 2kvv s VAL 44 Ca 0.44 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 2kvv s VAL 44 Cb -0.09 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 2kvv s VAL 44 CO 0.22 0.42 1.08 -0.94 0.00 0.00 0.00 175.10 175.88 2kvv s SER 45 N -1.63 6.98 0.82 3.32 1.04 -1.26 -0.46 113.70 122.51 2kvv s SER 45 Ca 0.23 2.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.76 2kvv s SER 45 Cb -0.12 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.54 2kvv s SER 45 CO 0.14 -0.34 0.96 -0.81 0.98 0.00 0.00 173.24 174.17 2kvv n PRO 46 N 0.53 -0.48 -1.99 4.02 -0.04 -1.26 -4.76 135.00 131.01 2kvv n PRO 46 Ca 0.02 -2.04 -0.26 0.00 -0.04 0.00 0.00 63.50 61.18 2kvv n PRO 46 Cb 0.47 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.05 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 -4.71 4.84 0.00 3.54 0.15 -1.26 -4.72 113.70 111.54 2kvv s SER 47 Ca 0.59 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2kvv s SER 47 Cb -0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2kvv s SER 47 CO 0.40 -3.21 0.00 0.61 1.20 0.00 0.00 173.24 172.24 2kvv n GLY 48 N 6.16 -2.85 1.64 9.45 0.00 -1.26 -4.43 105.19 113.90 2kvv n GLY 48 Ca 0.43 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.49 1.28 -0.01 1.61 -0.58 -1.26 -4.43 120.64 116.75 2kvv n GLU 49 Ca 0.00 -0.47 0.12 0.00 -0.42 0.00 0.00 57.16 56.40 2kvv n GLU 49 Cb 0.00 -1.23 0.66 0.00 -0.57 0.00 0.00 31.44 30.30 2kvv n GLU 49 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kvv n LYS 50 N 1.30 1.14 -3.85 3.49 4.76 -1.26 -4.81 118.16 118.93 2kvv n LYS 50 Ca 0.11 -0.21 -0.11 0.00 -2.87 0.00 0.00 58.31 55.22 2kvv n LYS 50 Cb 0.55 -1.39 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 2kvv n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kvv s THR 51 N -1.97 0.09 -0.06 -0.18 2.01 -1.26 -5.07 115.64 109.20 2kvv s THR 51 Ca 0.36 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 2kvv s THR 51 Cb 0.17 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 2kvv s THR 51 CO 0.28 -0.40 0.41 -0.07 -0.69 0.00 0.00 174.62 174.15 2kvv h LEU 52 N 3.97 -0.29 -0.70 4.42 -0.00 -1.99 -3.32 115.31 117.40 2kvv h LEU 52 Ca -0.31 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2kvv h LEU 52 Cb 1.19 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2kvv h LEU 52 CO 0.43 0.15 0.00 0.54 -0.00 0.00 0.00 178.44 179.56 2kvv n ARG 53 N -4.94 1.48 0.00 1.13 5.12 -1.26 -5.03 116.66 113.16 2kvv n ARG 53 Ca -0.04 -0.70 0.00 0.00 -1.93 0.00 0.00 57.85 55.18 2kvv n ARG 53 Cb 0.14 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 1.11 0.89 2.70 -0.13 0.00 -1.25 -4.73 105.19 103.77 2kvv n GLY 54 Ca 0.20 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.14 -0.55 2.61 2.01 0.39 -4.76 115.64 115.21 2kvv s THR 55 Ca 0.00 0.40 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 2kvv s THR 55 Cb 0.00 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.36 2kvv s THR 55 CO 0.00 0.16 0.93 -0.89 -0.69 0.00 0.00 174.62 174.13 2kvv s THR 56 N 2.19 4.41 -0.23 -0.82 2.01 -1.26 -1.44 115.64 120.50 2kvv s THR 56 Ca 0.05 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 2kvv s THR 56 Cb -0.12 -4.53 -0.03 0.00 0.01 0.00 0.00 72.50 67.83 2kvv s THR 56 CO -0.04 -1.10 0.55 0.26 -0.69 0.00 0.00 174.62 173.61 2kvv s TRP 57 N 3.88 3.32 0.15 4.92 0.52 -1.15 -4.45 118.94 126.12 2kvv s TRP 57 Ca 0.30 0.75 -0.14 0.00 0.02 0.00 0.00 56.10 57.03 2kvv s TRP 57 Cb -0.13 -2.74 -0.07 0.00 -1.15 0.00 0.00 33.47 29.39 2kvv s TRP 57 CO 0.19 -0.22 0.55 0.71 0.02 0.00 0.00 176.95 178.20 2kvv s TYR 58 N 2.09 3.60 -0.77 -1.98 2.02 0.39 -2.22 117.35 120.48 2kvv s TYR 58 Ca 0.24 1.05 -0.23 0.00 -0.37 0.00 0.00 57.07 57.76 2kvv s TYR 58 Cb -0.16 -2.36 0.07 0.00 -0.40 0.00 0.00 41.96 39.11 2kvv s TYR 58 CO 0.09 0.43 1.13 1.21 -1.57 0.00 0.00 175.55 176.84 2kvv s ASN 59 N -1.74 6.29 0.14 2.29 3.84 -0.04 -1.93 114.94 123.80 2kvv s ASN 59 Ca 0.38 -1.11 -0.23 0.00 0.21 0.00 0.00 52.86 52.11 2kvv s ASN 59 Cb -0.15 -2.47 0.01 0.00 -0.55 0.00 0.00 41.25 38.09 2kvv s ASN 59 CO 0.19 -1.48 1.64 0.22 -2.79 0.00 0.00 177.10 174.88 2kvv h TYR 60 N 9.58 -0.61 -0.43 0.43 3.20 -1.67 0.18 116.97 127.66 2kvv h TYR 60 Ca -0.14 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.85 2kvv h TYR 60 Cb 1.05 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 39.53 2kvv h TYR 60 CO 1.08 -0.31 -0.13 -1.35 -1.64 0.00 0.00 178.16 175.81 2kvv h PRO 61 N -0.26 -0.03 0.00 1.82 0.11 -1.92 0.04 132.00 131.75 2kvv h PRO 61 Ca 0.12 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 2kvv h PRO 61 Cb 0.44 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2kvv h PRO 61 CO -0.34 -0.02 -0.48 0.93 -0.21 0.00 0.00 178.00 177.88 2kvv h GLU 62 N -0.03 0.00 -0.29 1.05 4.39 -1.79 -1.55 114.58 116.36 2kvv h GLU 62 Ca 0.21 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 2kvv h GLU 62 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2kvv h GLU 62 CO -0.46 0.48 -0.33 0.82 -1.16 0.00 0.00 179.01 178.36 2kvv h ILE 63 N 0.00 1.30 -0.45 3.13 2.04 -0.49 -2.83 117.51 120.21 2kvv h ILE 63 Ca -0.00 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.36 2kvv h ILE 63 Cb 0.93 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2kvv h ILE 63 CO 0.06 0.49 0.30 -1.13 0.00 0.00 0.00 178.15 177.86 2kvv h ASN 64 N 0.48 0.47 -0.27 1.72 -0.73 -0.76 0.18 115.58 116.67 2kvv h ASN 64 Ca 0.04 -0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.23 2kvv h ASN 64 Cb 0.91 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.38 2kvv h ASN 64 CO 0.08 0.33 0.18 0.50 -0.37 0.00 0.00 177.43 178.16 2kvv h LYS 65 N 0.55 0.23 0.04 6.67 1.63 -1.07 -1.62 116.57 123.01 2kvv h LYS 65 Ca 0.17 -0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.68 2kvv h LYS 65 Cb 0.01 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2kvv h LYS 65 CO -0.04 0.16 -1.47 0.35 -3.45 0.00 0.00 179.45 175.00 2kvv h PHE 66 N 0.24 0.16 -0.71 1.91 3.57 -0.77 -3.36 116.94 117.98 2kvv h PHE 66 Ca 0.11 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kvv h PHE 66 Cb 0.15 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2kvv h PHE 66 CO -0.00 1.15 0.43 0.82 -2.23 0.00 0.00 178.31 178.48 2kvv h ILE 67 N 0.02 1.20 -0.53 1.41 2.04 -0.03 -1.38 117.51 120.24 2kvv h ILE 67 Ca -0.20 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.30 2kvv h ILE 67 Cb 1.95 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2kvv h ILE 67 CO 0.12 0.21 0.36 0.08 0.00 0.00 0.00 178.15 178.91 2kvv h ARG 68 N 0.98 0.40 -0.39 2.37 -0.00 -1.47 0.92 114.38 117.20 2kvv h ARG 68 Ca 0.26 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 60.17 2kvv h ARG 68 Cb -0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 29.82 2kvv h ARG 68 CO -0.05 0.27 0.06 -0.44 -0.00 0.00 0.00 179.97 179.81 2kvv h ASP 69 N 0.41 0.63 0.05 0.08 5.19 -1.44 -3.10 116.42 118.24 2kvv h ASP 69 Ca 0.24 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2kvv h ASP 69 Cb 0.40 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2kvv h ASP 69 CO -0.06 0.73 -0.01 -1.28 -3.12 0.00 0.00 179.24 175.49 2kvv h SER 70 N 0.50 0.00 1.60 6.45 0.87 -0.43 0.37 113.55 122.91 2kvv h SER 70 Ca 0.12 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2kvv h SER 70 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2kvv h SER 70 CO 0.01 0.01 -0.41 -0.07 -0.53 0.00 0.00 176.83 175.84 2kvv h LEU 71 N 0.00 0.00 0.00 2.23 -0.00 -1.30 -3.47 115.31 112.77 2kvv h LEU 71 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 2kvv h LEU 71 Cb 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 40.66 40.79 2kvv h LEU 71 CO 0.00 0.20 0.10 -0.62 -0.00 0.00 0.00 178.44 178.12 2kvv n GLU 72 N -3.06 -1.61 -2.60 1.13 -0.58 0.12 -4.96 120.64 109.08 2kvv n GLU 72 Ca 0.02 -0.88 -0.43 0.00 -0.42 0.00 0.00 57.16 55.45 2kvv n GLU 72 Cb 0.62 -0.74 -0.02 0.00 -0.57 0.00 0.00 31.44 30.72 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 -2.08 3.06 0.03 -0.32 3.76 -1.26 -5.02 115.29 113.46 2kvv s HIS 73 Ca 0.35 1.12 0.03 0.00 -0.15 0.00 0.00 55.06 56.41 2kvv s HIS 73 Cb -0.03 -3.76 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 2kvv s HIS 73 CO 0.26 -0.96 -0.11 -3.38 -0.85 0.00 0.00 174.74 169.70 2kvv s HIS 74 N 3.80 0.92 -0.53 1.40 -3.43 -1.26 -5.11 115.29 111.07 2kvv s HIS 74 Ca 0.47 -0.35 0.04 0.00 -0.80 0.00 0.00 55.06 54.42 2kvv s HIS 74 Cb -0.13 -0.55 0.14 0.00 -1.43 0.00 0.00 32.58 30.62 2kvv s HIS 74 CO 0.17 -0.01 0.31 -1.01 -2.00 0.00 0.00 174.74 172.21 2kvv s HIS 75 N -0.90 2.68 0.05 0.38 3.76 -1.26 -4.81 115.29 115.19 2kvv s HIS 75 Ca -0.02 -2.88 0.00 0.00 -0.15 0.00 0.00 55.06 52.01 2kvv s HIS 75 Cb -0.08 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.30 2kvv s HIS 75 CO 0.01 -0.72 0.00 0.72 -0.85 0.00 0.00 174.74 173.90 2kvv n HIS 76 N 2.98 -0.39 -3.72 1.40 8.25 -1.26 -5.10 115.22 117.38 2kvv n HIS 76 Ca 0.12 0.07 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 2kvv n HIS 76 Cb 0.35 0.39 -0.12 0.00 1.12 0.00 0.00 29.99 31.73 2kvv n HIS 76 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kvv s HIS 77 N -2.00 -0.41 -2.00 4.41 5.65 -1.26 -5.38 115.29 114.30 2kvv s HIS 77 Ca 0.00 0.93 0.31 0.00 0.25 0.00 0.00 55.06 56.55 2kvv s HIS 77 Cb 0.00 0.12 1.84 0.00 -1.18 0.00 0.00 32.58 33.36 2kvv s HIS 77 CO 0.00 -0.26 2.17 0.72 -0.65 0.00 0.00 174.74 176.72