#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 3.62 0.17 3.04 0.00 -1.26 -5.05 121.76 122.28 2kvv s ALA 2 Ca 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 51.96 49.62 2kvv s ALA 2 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2kvv s ALA 2 CO 0.00 -1.93 -0.11 -0.65 0.00 0.00 0.00 175.76 173.07 2kvv s GLN 3 N 1.63 1.17 -0.88 0.00 -0.21 -1.26 -5.10 119.66 115.01 2kvv s GLN 3 Ca 0.03 -1.51 -0.21 0.00 0.02 0.00 0.00 55.36 53.70 2kvv s GLN 3 Cb -0.28 -0.80 0.10 0.00 1.00 0.00 0.00 33.01 33.03 2kvv s GLN 3 CO 0.04 0.11 1.16 0.42 -2.12 0.00 0.00 175.29 174.90 2kvv s ILE 4 N -3.21 4.43 -0.38 1.08 -1.09 -1.26 -5.00 121.20 115.78 2kvv s ILE 4 Ca 0.19 -1.05 -0.15 0.00 -2.23 0.00 0.00 60.65 57.41 2kvv s ILE 4 Cb 0.02 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 2kvv s ILE 4 CO 0.03 -1.60 0.30 -0.63 -1.23 0.00 0.00 174.94 171.82 2kvv s ILE 5 N 3.58 5.24 0.00 2.92 1.09 -1.26 -4.60 121.20 128.18 2kvv s ILE 5 Ca 0.33 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.49 2kvv s ILE 5 Cb -0.07 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 2kvv s ILE 5 CO -0.04 -0.20 0.00 0.33 -0.10 0.00 0.00 174.94 174.93 2kvv n PHE 6 N 5.22 0.00 -1.45 3.97 7.35 -1.26 -4.85 117.46 126.44 2kvv n PHE 6 Ca -0.11 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.17 2kvv n PHE 6 Cb 0.48 -1.88 -0.04 0.00 0.35 0.00 0.00 39.48 38.39 2kvv n PHE 6 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2kvv n ASN 7 N -0.77 2.98 -1.50 -2.13 5.15 -1.26 -4.81 115.26 112.91 2kvv n ASN 7 Ca 0.00 -2.73 -0.02 0.00 -0.60 0.00 0.00 54.58 51.23 2kvv n ASN 7 Cb 0.39 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.30 2kvv n ASN 7 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2kvv n GLU 8 N 7.05 0.52 -3.39 1.20 1.02 -1.26 -5.12 120.64 120.66 2kvv n GLU 8 Ca 0.49 -0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 2kvv n GLU 8 Cb 0.41 0.23 -0.08 0.00 -0.02 0.00 0.00 31.44 31.98 2kvv n GLU 8 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2kvv s GLU 9 N -2.15 0.34 0.03 3.49 2.56 -1.26 -5.07 118.70 116.64 2kvv s GLU 9 Ca 0.03 0.60 0.09 0.00 0.00 0.00 0.00 54.97 55.69 2kvv s GLU 9 Cb 0.00 -0.37 -0.03 0.00 2.00 0.00 0.00 34.13 35.74 2kvv s GLU 9 CO 0.02 -0.59 -0.26 -1.58 -0.56 0.00 0.00 175.26 172.29 2kvv s TRP 10 N 2.55 2.33 0.21 5.30 0.52 -1.26 -1.33 118.94 127.27 2kvv s TRP 10 Ca 0.11 -0.41 -0.23 0.00 0.02 0.00 0.00 56.10 55.59 2kvv s TRP 10 Cb -0.15 -1.42 0.05 0.00 -1.15 0.00 0.00 33.47 30.80 2kvv s TRP 10 CO -0.15 0.09 0.90 0.00 0.02 0.00 0.00 176.95 177.80 2kvv s MET 11 N -1.08 1.44 0.76 4.98 0.23 -1.04 -4.97 119.30 119.62 2kvv s MET 11 Ca 0.11 -0.83 -0.01 0.00 -1.03 0.00 0.00 55.69 53.93 2kvv s MET 11 Cb -0.10 0.47 0.15 0.00 -1.53 0.00 0.00 34.83 33.82 2kvv s MET 11 CO 0.01 -0.66 1.04 1.33 -2.03 0.00 0.00 175.02 174.71 2kvv n VAL 12 N -0.50 0.00 0.31 5.16 0.24 -1.26 -0.84 118.33 121.43 2kvv n VAL 12 Ca -0.05 -1.59 -0.17 0.00 -2.04 0.00 0.00 64.34 60.48 2kvv n VAL 12 Cb 0.60 -0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 31.98 2kvv n VAL 12 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2kvv h GLU 13 N 0.00 -0.90 0.00 7.34 4.81 -1.98 0.21 114.58 124.06 2kvv h GLU 13 Ca -0.34 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2kvv h GLU 13 Cb 1.26 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 2kvv h GLU 13 CO 0.36 -0.60 -0.09 -0.22 -0.73 0.00 0.00 179.01 177.74 2kvv h LYS 14 N -0.93 0.00 0.12 1.92 3.11 -2.00 -0.67 116.57 118.12 2kvv h LYS 14 Ca -0.06 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.50 2kvv h LYS 14 Cb 0.79 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.03 2kvv h LYS 14 CO 0.01 0.09 -1.22 0.00 -2.81 0.00 0.00 179.45 175.51 2kvv h ALA 15 N 1.91 0.09 -0.01 5.00 0.00 -1.90 -3.32 119.26 121.03 2kvv h ALA 15 Ca -0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 2kvv h ALA 15 Cb 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kvv h ALA 15 CO 0.01 0.83 0.00 1.25 0.00 0.00 0.00 179.25 181.35 2kvv h LEU 16 N 0.16 0.01 -1.40 0.00 7.12 0.75 -2.91 115.31 119.05 2kvv h LEU 16 Ca -0.16 -0.08 0.10 0.00 0.13 0.00 0.00 57.88 57.88 2kvv h LEU 16 Cb 1.91 -0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.99 2kvv h LEU 16 CO 0.22 0.08 0.50 0.00 -0.13 0.00 0.00 178.44 179.11 2kvv h MET 17 N -0.06 0.64 -0.42 1.25 -0.00 -1.32 -1.60 114.93 113.42 2kvv h MET 17 Ca 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.60 2kvv h MET 17 Cb 0.07 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.51 2kvv h MET 17 CO -0.00 0.42 0.03 0.28 -0.00 0.00 0.00 176.91 177.64 2kvv h VAL 18 N 0.66 1.25 0.00 -0.10 2.07 -1.61 0.17 116.25 118.70 2kvv h VAL 18 Ca 0.36 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2kvv h VAL 18 Cb 0.50 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2kvv h VAL 18 CO -0.13 0.33 -0.49 0.03 0.02 0.00 0.00 177.57 177.33 2kvv h ARG 19 N 0.57 0.00 0.00 1.57 3.08 -1.39 -3.34 114.38 114.86 2kvv h ARG 19 Ca 0.12 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.92 2kvv h ARG 19 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2kvv h ARG 19 CO 0.02 0.00 -2.24 0.25 -1.07 0.00 0.00 179.97 176.93 2kvv n THR 20 N -2.69 0.94 -0.75 2.04 -2.24 -0.64 -5.01 114.28 105.92 2kvv n THR 20 Ca 0.02 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2kvv n THR 20 Cb 0.51 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 1.64 0.92 3.55 3.38 0.00 0.55 -5.07 105.19 110.16 2kvv n GLY 21 Ca -0.24 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.36 0.99 4.32 -0.87 -5.04 117.00 112.04 2kvv n LEU 22 Ca 0.00 -2.37 -0.19 0.00 -0.02 0.00 0.00 56.01 53.43 2kvv n LEU 22 Cb 0.12 -0.30 -0.10 0.00 -1.62 0.00 0.00 43.42 41.52 2kvv n LEU 22 CO 0.00 -0.66 -0.38 -0.83 -1.22 0.00 0.00 177.39 174.30 2kvv s GLY 23 N -4.31 1.57 0.19 -0.72 0.00 -1.26 -4.65 107.32 98.14 2kvv s GLY 23 Ca 0.49 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 2kvv s GLY 23 CO 0.31 -1.74 1.76 0.00 0.00 0.00 0.00 173.10 173.43 2kvv h ALA 24 N 2.46 0.67 -0.33 3.20 0.00 -1.99 0.31 119.26 123.58 2kvv h ALA 24 Ca -0.39 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2kvv h ALA 24 Cb 1.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2kvv h ALA 24 CO 0.65 -0.17 -0.02 -0.09 0.00 0.00 0.00 179.25 179.62 2kvv h ARG 25 N 0.41 0.52 -0.23 0.00 1.12 -1.99 -1.17 114.38 113.03 2kvv h ARG 25 Ca 0.25 -0.11 -0.14 0.00 -1.11 0.00 0.00 59.98 58.87 2kvv h ARG 25 Cb 0.25 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 2kvv h ARG 25 CO -0.23 0.55 -0.40 0.37 -3.11 0.00 0.00 179.97 177.15 2kvv h GLN 26 N 0.49 0.68 0.04 0.20 4.15 -1.67 -2.94 115.11 116.06 2kvv h GLN 26 Ca 0.10 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.10 2kvv h GLN 26 Cb 0.35 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2kvv h GLN 26 CO 0.01 1.04 -0.02 0.82 -1.93 0.00 0.00 178.83 178.76 2kvv h ILE 27 N 0.39 1.16 -0.24 2.39 2.04 -0.67 -2.87 117.51 119.70 2kvv h ILE 27 Ca 0.01 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.32 2kvv h ILE 27 Cb 1.00 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2kvv h ILE 27 CO 0.09 0.16 0.17 1.05 0.00 0.00 0.00 178.15 179.62 2kvv h GLU 28 N -0.32 0.06 -0.77 2.37 4.11 -1.32 0.62 114.58 119.34 2kvv h GLU 28 Ca -0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2kvv h GLU 28 Cb 0.29 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2kvv h GLU 28 CO 0.01 0.04 0.35 1.03 0.07 0.00 0.00 179.01 180.51 2kvv h SER 29 N 0.06 1.01 0.68 3.06 0.87 -1.32 -2.82 113.55 115.09 2kvv h SER 29 Ca 0.11 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 2kvv h SER 29 Cb 0.37 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2kvv h SER 29 CO -0.01 0.86 -0.79 1.88 -0.53 0.00 0.00 176.83 178.24 2kvv h TYR 30 N 1.10 0.12 0.00 2.24 0.05 -0.74 -3.14 116.97 116.60 2kvv h TYR 30 Ca 0.26 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2kvv h TYR 30 Cb 0.14 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2kvv h TYR 30 CO 0.01 0.84 0.00 0.54 -1.05 0.00 0.00 178.16 178.50 2kvv n ARG 31 N -3.66 0.04 -0.24 4.88 1.74 -0.50 -0.35 116.66 118.57 2kvv n ARG 31 Ca -0.02 0.42 0.06 0.00 -0.77 0.00 0.00 57.85 57.54 2kvv n ARG 31 Cb 0.75 -1.60 0.19 0.00 -1.02 0.00 0.00 32.46 30.78 2kvv n ARG 31 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2kvv n GLN 32 N -1.68 2.10 0.00 5.56 6.02 -1.18 -4.69 117.38 123.50 2kvv n GLN 32 Ca 0.01 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 2kvv n GLN 32 Cb 0.09 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.97 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 1.09 -0.47 0.25 1.08 0.00 -0.85 -5.01 105.19 101.28 2kvv n GLY 33 Ca 0.14 0.04 -0.12 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 h ALA 34 N 0.00 0.58 -2.30 4.61 0.00 -0.99 -3.42 119.26 117.73 2kvv h ALA 34 Ca 0.00 -0.38 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 2kvv h ALA 34 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kvv h ALA 34 CO 0.00 0.56 0.85 -1.58 0.00 0.00 0.00 179.25 179.09 2kvv s TRP 35 N -4.60 2.81 -0.10 0.00 0.23 -0.57 -5.00 118.94 111.70 2kvv s TRP 35 Ca -0.12 0.85 0.01 0.00 -2.03 0.00 0.00 56.10 54.82 2kvv s TRP 35 Cb 0.11 -3.62 -0.02 0.00 0.03 0.00 0.00 33.47 29.98 2kvv s TRP 35 CO 0.85 -2.25 -0.15 0.42 0.96 0.00 0.00 176.95 176.78 2kvv s ILE 36 N 2.79 2.93 0.55 2.03 1.01 -1.26 -4.88 121.20 124.36 2kvv s ILE 36 Ca 0.62 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 2kvv s ILE 36 Cb -0.28 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 2kvv s ILE 36 CO 0.24 0.55 1.34 -1.83 0.00 0.00 0.00 174.94 175.23 2kvv s GLU 37 N 0.06 3.14 0.00 2.79 -1.05 -1.26 -0.55 118.70 121.84 2kvv s GLU 37 Ca -0.06 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 2kvv s GLU 37 Cb -0.15 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2kvv s GLU 37 CO 0.05 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 175.49 2kvv n GLY 38 N 0.71 1.21 0.12 -3.83 0.00 0.36 -4.57 105.19 99.19 2kvv n GLY 38 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.99 -3.40 116.25 114.55 2kvv h VAL 39 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 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 -1.42 1.41 0.02 0.00 0.00 177.57 177.58 2kvv n HIS 40 N -3.34 0.22 -3.83 1.57 8.25 0.29 -4.92 115.22 113.47 2kvv n HIS 40 Ca -0.03 0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.42 2kvv n HIS 40 Cb 0.10 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 -3.33 -0.02 0.04 4.41 -0.12 -1.06 -1.22 117.98 116.68 2kvv s PHE 41 Ca -0.01 -0.52 -0.25 0.00 -0.05 0.00 0.00 56.93 56.10 2kvv s PHE 41 Cb 0.14 0.76 0.06 0.00 -0.63 0.00 0.00 43.02 43.35 2kvv s PHE 41 CO 0.85 -1.32 0.59 -1.59 -0.05 0.00 0.00 175.22 173.70 2kvv s LYS 42 N -2.97 1.10 -0.16 1.99 0.00 -1.11 0.14 119.74 118.73 2kvv s LYS 42 Ca 0.14 -0.13 -0.29 0.00 0.00 0.00 0.00 55.97 55.69 2kvv s LYS 42 Cb -0.05 0.51 -0.00 0.00 0.00 0.00 0.00 37.83 38.29 2kvv s LYS 42 CO 0.08 -0.40 1.05 1.03 0.00 0.00 0.00 175.35 177.11 2kvv s ARG 43 N -2.33 4.34 -0.45 1.78 0.52 -1.26 -2.87 118.95 118.67 2kvv s ARG 43 Ca -0.06 1.41 -0.11 0.00 -0.52 0.00 0.00 55.73 56.45 2kvv s ARG 43 Cb -0.01 -3.60 0.08 0.00 0.52 0.00 0.00 34.95 31.95 2kvv s ARG 43 CO -0.00 -0.47 0.32 0.08 0.02 0.00 0.00 175.30 175.24 2kvv s VAL 44 N 2.59 4.58 0.41 3.52 1.01 0.49 -4.88 120.40 128.11 2kvv s VAL 44 Ca 0.47 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 2kvv s VAL 44 Cb -0.18 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2kvv s VAL 44 CO 0.13 -0.58 0.74 -0.94 0.00 0.00 0.00 175.10 174.46 2kvv s SER 45 N 2.41 6.45 0.26 3.32 1.04 -1.26 -0.72 113.70 125.20 2kvv s SER 45 Ca 0.04 1.03 -0.08 0.00 0.48 0.00 0.00 55.95 57.41 2kvv s SER 45 Cb -0.24 -2.28 0.43 0.00 0.10 0.00 0.00 66.02 64.03 2kvv s SER 45 CO 0.03 -0.41 1.59 -0.65 0.98 0.00 0.00 173.24 174.77 2kvv h PRO 46 N 1.08 0.01 -0.50 4.02 0.11 -1.95 -0.60 132.00 134.17 2kvv h PRO 46 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kvv h PRO 46 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kvv h PRO 46 CO 0.64 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 2kvv n SER 47 N -5.54 3.81 -1.87 -2.05 7.64 -1.26 -4.93 113.62 109.42 2kvv n SER 47 Ca 0.14 -2.27 -0.16 0.00 1.01 0.00 0.00 58.87 57.59 2kvv n SER 47 Cb 0.48 -0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.78 -0.27 0.29 0.23 0.00 -0.23 -4.90 105.19 101.09 2kvv n GLY 48 Ca 0.20 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.61 1.38 -0.74 1.61 0.28 -1.26 -4.89 120.64 114.41 2kvv n GLU 49 Ca -0.17 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.26 2kvv n GLU 49 Cb 0.63 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 32.14 2kvv n GLU 49 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kvv n LYS 50 N -0.22 -0.37 -1.82 3.44 5.02 -1.26 -4.96 118.16 117.98 2kvv n LYS 50 Ca 0.16 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.18 2kvv n LYS 50 Cb 0.21 -4.06 0.05 0.00 -0.02 0.00 0.00 35.03 31.22 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 -1.71 2.52 0.41 -0.18 2.01 -1.26 -4.92 115.64 112.50 2kvv s THR 51 Ca 0.00 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.37 2kvv s THR 51 Cb 0.00 -3.03 0.27 0.00 0.01 0.00 0.00 72.50 69.75 2kvv s THR 51 CO 0.00 -0.09 2.05 -0.07 -0.69 0.00 0.00 174.62 175.82 2kvv h LEU 52 N 0.50 0.49 -8.03 4.42 -0.00 -2.00 -3.37 115.31 107.32 2kvv h LEU 52 Ca -0.50 -0.01 -0.58 0.00 -0.00 0.00 0.00 57.88 56.80 2kvv h LEU 52 Cb 1.30 -0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 41.75 2kvv h LEU 52 CO 0.53 0.35 1.62 -0.13 -0.00 0.00 0.00 178.44 180.82 2kvv s ARG 53 N -5.51 3.54 0.24 1.13 1.81 -1.26 -4.88 118.95 114.02 2kvv s ARG 53 Ca -0.08 -1.32 -0.22 0.00 -1.72 0.00 0.00 55.73 52.39 2kvv s ARG 53 Cb 0.18 -5.38 0.03 0.00 -0.45 0.00 0.00 34.95 29.33 2kvv s ARG 53 CO 0.73 -2.46 0.77 0.20 -0.68 0.00 0.00 175.30 173.86 2kvv s GLY 54 N 5.16 -0.15 0.12 -3.53 0.00 -1.26 -4.51 107.32 103.14 2kvv s GLY 54 Ca 0.52 -0.16 -0.28 0.00 0.00 0.00 0.00 44.72 44.80 2kvv s GLY 54 CO -0.02 -0.05 0.88 -1.59 0.00 0.00 0.00 173.10 172.32 2kvv s THR 55 N -3.76 4.49 -0.49 0.90 2.01 0.11 -4.70 115.64 114.19 2kvv s THR 55 Ca 0.11 1.91 -0.17 0.00 0.31 0.00 0.00 61.69 63.85 2kvv s THR 55 Cb -0.05 -4.25 0.06 0.00 0.01 0.00 0.00 72.50 68.28 2kvv s THR 55 CO 0.05 0.38 0.52 -0.89 -0.69 0.00 0.00 174.62 173.99 2kvv s THR 56 N -0.32 5.03 0.36 -0.82 2.01 -1.26 -0.38 115.64 120.26 2kvv s THR 56 Ca 0.42 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 2kvv s THR 56 Cb -0.23 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 67.99 2kvv s THR 56 CO 0.28 -0.70 0.75 0.26 -0.69 0.00 0.00 174.62 174.52 2kvv s TRP 57 N 2.19 3.41 0.06 4.92 0.52 -1.14 -4.70 118.94 124.21 2kvv s TRP 57 Ca 0.10 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.44 2kvv s TRP 57 Cb -0.21 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2kvv s TRP 57 CO 0.10 0.01 -0.20 0.71 0.02 0.00 0.00 176.95 177.58 2kvv s TYR 58 N -2.15 2.49 -0.47 -1.98 2.02 -0.02 -2.77 117.35 114.47 2kvv s TYR 58 Ca 0.53 -0.29 -0.22 0.00 -0.37 0.00 0.00 57.07 56.71 2kvv s TYR 58 Cb -0.10 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2kvv s TYR 58 CO 0.23 0.26 0.76 -0.80 -1.57 0.00 0.00 175.55 174.44 2kvv s ASN 59 N -1.58 6.36 0.14 2.29 -0.87 -0.36 -2.51 114.94 118.41 2kvv s ASN 59 Ca 0.15 -0.30 -0.18 0.00 -1.57 0.00 0.00 52.86 50.96 2kvv s ASN 59 Cb -0.10 -2.37 0.01 0.00 -0.02 0.00 0.00 41.25 38.77 2kvv s ASN 59 CO 0.06 -0.93 1.73 0.22 -2.57 0.00 0.00 177.10 175.60 2kvv h TYR 60 N 9.01 0.08 -0.46 2.20 3.20 -1.53 -1.59 116.97 127.89 2kvv h TYR 60 Ca -0.25 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.68 2kvv h TYR 60 Cb 1.09 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 2kvv h TYR 60 CO 0.79 0.02 0.31 -1.00 -1.64 0.00 0.00 178.16 176.64 2kvv h PRO 61 N 0.15 0.42 -0.07 1.82 0.13 -1.94 0.25 132.00 132.75 2kvv h PRO 61 Ca 0.12 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2kvv h PRO 61 Cb 0.13 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 2kvv h PRO 61 CO -0.17 0.28 -0.06 0.93 -0.23 0.00 0.00 178.00 178.74 2kvv h GLU 62 N 0.43 0.17 -0.44 0.86 4.39 -1.78 -1.95 114.58 116.26 2kvv h GLU 62 Ca 0.19 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 2kvv h GLU 62 Cb 0.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2kvv h GLU 62 CO -0.05 0.60 -0.05 0.82 -1.16 0.00 0.00 179.01 179.17 2kvv h ILE 63 N -0.25 1.25 -0.64 3.13 2.04 -0.83 -2.43 117.51 119.78 2kvv h ILE 63 Ca 0.01 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2kvv h ILE 63 Cb 0.56 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2kvv h ILE 63 CO 0.02 0.37 0.32 -1.13 0.00 0.00 0.00 178.15 177.73 2kvv h ASN 64 N 0.70 0.80 -0.84 1.72 -1.24 -0.53 0.06 115.58 116.26 2kvv h ASN 64 Ca 0.13 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 2kvv h ASN 64 Cb 0.51 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 2kvv h ASN 64 CO 0.03 0.67 0.52 0.50 -1.29 0.00 0.00 177.43 177.86 2kvv h LYS 65 N 0.90 1.13 0.24 6.67 3.64 -0.88 0.19 116.57 128.46 2kvv h LYS 65 Ca 0.22 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2kvv h LYS 65 Cb 0.07 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2kvv h LYS 65 CO -0.03 0.78 -0.12 0.35 -2.27 0.00 0.00 179.45 178.16 2kvv h PHE 66 N 1.15 -0.30 -0.89 1.91 3.57 -0.99 -3.00 116.94 118.38 2kvv h PHE 66 Ca 0.30 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 2kvv h PHE 66 Cb -0.07 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 2kvv h PHE 66 CO 0.00 0.02 0.58 0.82 -2.23 0.00 0.00 178.31 177.50 2kvv h ILE 67 N -0.65 1.08 -0.64 1.41 2.04 -0.81 0.37 117.51 120.31 2kvv h ILE 67 Ca -0.03 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2kvv h ILE 67 Cb 0.46 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2kvv h ILE 67 CO 0.06 0.19 0.42 -0.09 0.00 0.00 0.00 178.15 178.73 2kvv h ARG 68 N 1.03 0.64 0.15 2.37 2.43 -0.65 0.23 114.38 120.57 2kvv h ARG 68 Ca 0.38 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.26 2kvv h ARG 68 Cb 0.17 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2kvv h ARG 68 CO -0.14 0.43 -1.18 0.22 -1.51 0.00 0.00 179.97 177.79 2kvv h ASP 69 N 0.66 0.49 0.12 -3.80 3.58 -0.96 -2.87 116.42 113.64 2kvv h ASP 69 Ca 0.27 -0.91 -0.01 0.00 0.42 0.00 0.00 57.03 56.81 2kvv h ASP 69 Cb 0.23 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kvv h ASP 69 CO -0.08 1.54 -0.06 0.28 -2.88 0.00 0.00 179.24 178.04 2kvv h SER 70 N -0.26 -0.14 -0.01 2.28 0.02 -0.84 -3.37 113.55 111.23 2kvv h SER 70 Ca -0.23 -0.42 -0.19 0.00 -0.84 0.00 0.00 61.79 60.12 2kvv h SER 70 Cb 1.77 0.04 0.01 0.00 0.14 0.00 0.00 62.40 64.36 2kvv h SER 70 CO 0.13 0.47 -0.72 0.25 -1.14 0.00 0.00 176.83 175.82 2kvv h LEU 71 N -0.88 0.65 0.00 5.07 5.85 -0.76 -3.47 115.31 121.77 2kvv h LEU 71 Ca -0.02 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2kvv h LEU 71 Cb 0.54 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2kvv h LEU 71 CO 0.03 1.31 0.00 -0.62 -0.34 0.00 0.00 178.44 178.82 2kvv n GLU 72 N -4.11 0.00 -1.47 1.25 1.02 -1.08 -4.91 120.64 111.33 2kvv n GLU 72 Ca -0.10 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.55 2kvv n GLU 72 Cb 0.73 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.09 2kvv n GLU 72 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kvv n HIS 73 N 0.00 1.63 -2.13 -0.32 -0.00 -1.26 -4.91 115.22 108.23 2kvv n HIS 73 Ca 0.00 0.21 -0.41 0.00 0.46 0.00 0.00 57.72 57.98 2kvv n HIS 73 Cb 0.00 -2.56 -0.02 0.00 -0.12 0.00 0.00 29.99 27.29 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 7.68 3.07 0.00 1.57 3.76 -1.26 -5.03 115.29 125.08 2kvv s HIS 74 Ca 1.08 1.42 -0.20 0.00 -0.15 0.00 0.00 55.06 57.22 2kvv s HIS 74 Cb -0.76 -3.67 0.04 0.00 1.11 0.00 0.00 32.58 29.30 2kvv s HIS 74 CO 0.46 -1.82 0.44 -3.38 -0.85 0.00 0.00 174.74 169.59 2kvv s HIS 75 N -1.13 -0.33 0.05 1.40 -3.43 -1.26 -5.17 115.29 105.42 2kvv s HIS 75 Ca 0.49 0.45 0.05 0.00 -0.80 0.00 0.00 55.06 55.25 2kvv s HIS 75 Cb -0.39 0.22 -0.02 0.00 -1.43 0.00 0.00 32.58 30.95 2kvv s HIS 75 CO 0.52 -0.52 -0.15 -1.01 -2.00 0.00 0.00 174.74 171.58 2kvv s HIS 76 N -1.78 1.31 0.11 0.38 3.76 -1.26 -5.04 115.29 112.76 2kvv s HIS 76 Ca -0.10 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2kvv s HIS 76 Cb -0.02 -0.76 -0.20 0.00 1.11 0.00 0.00 32.58 32.71 2kvv s HIS 76 CO 0.03 0.06 1.23 1.25 -0.85 0.00 0.00 174.74 176.45 2kvv h HIS 77 N 4.73 0.38 0.00 1.40 2.76 -2.02 -3.56 115.15 118.83 2kvv h HIS 77 Ca -0.40 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.52 2kvv h HIS 77 Cb 1.18 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2kvv h HIS 77 CO 0.56 1.16 0.00 1.58 -1.30 0.00 0.00 177.93 179.93