#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 -1.99 -0.40 3.04 0.00 -1.26 -5.13 121.76 116.03 2kvv s ALA 2 Ca 0.00 1.81 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 2kvv s ALA 2 Cb 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.80 2kvv s ALA 2 CO 0.00 -0.24 0.31 -0.65 0.00 0.00 0.00 175.76 175.18 2kvv s GLN 3 N -0.04 3.12 -0.81 0.00 -0.21 -1.26 -5.03 119.66 115.43 2kvv s GLN 3 Ca 0.03 -0.88 -0.25 0.00 0.02 0.00 0.00 55.36 54.27 2kvv s GLN 3 Cb -0.04 -3.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.00 2kvv s GLN 3 CO -0.06 -0.70 1.85 0.42 -2.12 0.00 0.00 175.29 174.69 2kvv s ILE 4 N 1.77 3.47 -0.56 1.08 -1.09 -1.26 -4.94 121.20 119.67 2kvv s ILE 4 Ca 0.07 -0.17 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 2kvv s ILE 4 Cb -0.18 -4.11 0.09 0.00 -1.58 0.00 0.00 42.46 36.67 2kvv s ILE 4 CO 0.11 -1.06 0.66 -0.63 -1.23 0.00 0.00 174.94 172.79 2kvv s ILE 5 N 9.14 4.87 -0.04 2.92 -1.09 -1.26 -5.03 121.20 130.71 2kvv s ILE 5 Ca 0.66 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 2kvv s ILE 5 Cb -0.08 -4.41 0.01 0.00 -1.58 0.00 0.00 42.46 36.40 2kvv s ILE 5 CO 0.06 -0.99 -0.07 -0.36 -1.23 0.00 0.00 174.94 172.35 2kvv s PHE 6 N 2.59 0.89 -1.21 3.97 0.40 -1.26 -5.07 117.98 118.30 2kvv s PHE 6 Ca 0.12 -0.25 -0.21 0.00 -0.60 0.00 0.00 56.93 55.99 2kvv s PHE 6 Cb -0.23 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 2kvv s PHE 6 CO 0.08 -0.16 1.88 -1.71 0.70 0.00 0.00 175.22 176.01 2kvv n ASN 7 N 3.67 3.66 -4.58 1.36 5.15 -1.26 -4.88 115.26 118.38 2kvv n ASN 7 Ca -0.22 -2.77 -0.40 0.00 -0.60 0.00 0.00 54.58 50.59 2kvv n ASN 7 Cb 0.53 -1.70 -0.02 0.00 -0.53 0.00 0.00 39.78 38.06 2kvv n ASN 7 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2kvv s GLU 8 N 5.56 3.64 -1.10 1.20 -1.05 -1.26 -4.81 118.70 120.87 2kvv s GLU 8 Ca 0.62 -1.66 -0.22 0.00 -0.15 0.00 0.00 54.97 53.56 2kvv s GLU 8 Cb 0.02 -5.45 0.00 0.00 -0.44 0.00 0.00 34.13 28.27 2kvv s GLU 8 CO 0.11 -2.56 1.74 -1.21 0.95 0.00 0.00 175.26 174.29 2kvv s GLU 9 N 4.81 3.22 0.04 -4.83 2.02 -1.26 -4.97 118.70 117.72 2kvv s GLU 9 Ca 0.56 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 2kvv s GLU 9 Cb 0.02 -5.31 -0.04 0.00 0.10 0.00 0.00 34.13 28.89 2kvv s GLU 9 CO 0.06 -2.87 1.07 -1.58 0.02 0.00 0.00 175.26 171.95 2kvv s TRP 10 N 7.25 3.58 -0.15 1.61 0.52 -1.26 -1.50 118.94 128.99 2kvv s TRP 10 Ca 0.58 1.55 -0.18 0.00 0.02 0.00 0.00 56.10 58.07 2kvv s TRP 10 Cb -0.01 -3.24 0.05 0.00 -1.15 0.00 0.00 33.47 29.12 2kvv s TRP 10 CO 0.02 -0.52 0.48 0.00 0.02 0.00 0.00 176.95 176.95 2kvv s MET 11 N 0.91 0.63 1.02 4.98 0.23 0.07 -4.92 119.30 122.21 2kvv s MET 11 Ca 0.54 0.52 -0.12 0.00 -1.03 0.00 0.00 55.69 55.60 2kvv s MET 11 Cb -0.25 0.30 0.20 0.00 -1.53 0.00 0.00 34.83 33.55 2kvv s MET 11 CO 0.29 -0.11 1.08 0.14 -2.03 0.00 0.00 175.02 174.39 2kvv s VAL 12 N -0.10 2.24 0.21 5.16 -7.23 -1.26 -0.07 120.40 119.35 2kvv s VAL 12 Ca -0.03 0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.12 2kvv s VAL 12 Cb -0.03 -2.32 0.15 0.00 0.56 0.00 0.00 36.38 34.74 2kvv s VAL 12 CO 0.02 -0.10 1.71 -0.08 -0.31 0.00 0.00 175.10 176.34 2kvv h GLU 13 N -2.06 0.28 -0.71 4.82 4.81 -1.98 0.19 114.58 119.92 2kvv h GLU 13 Ca -0.54 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2kvv h GLU 13 Cb 1.31 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 2kvv h GLU 13 CO 0.51 0.19 0.46 -0.22 -0.73 0.00 0.00 179.01 179.22 2kvv h LYS 14 N 0.29 0.94 0.02 1.92 3.11 -1.96 -0.33 116.57 120.55 2kvv h LYS 14 Ca 0.31 -0.06 -0.26 0.00 -2.81 0.00 0.00 60.65 57.82 2kvv h LYS 14 Cb 0.44 -0.21 0.02 0.00 -1.00 0.00 0.00 32.23 31.48 2kvv h LYS 14 CO -0.37 0.63 -1.05 0.00 -2.81 0.00 0.00 179.45 175.84 2kvv h ALA 15 N 1.55 0.16 -0.47 5.00 0.00 -1.56 -3.27 119.26 120.67 2kvv h ALA 15 Ca 0.26 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2kvv h ALA 15 Cb -0.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2kvv h ALA 15 CO -0.05 0.72 0.08 1.25 0.00 0.00 0.00 179.25 181.24 2kvv h LEU 16 N 0.34 0.75 -2.13 0.00 7.12 -0.21 -2.44 115.31 118.74 2kvv h LEU 16 Ca -0.13 -0.26 -0.01 0.00 0.13 0.00 0.00 57.88 57.62 2kvv h LEU 16 Cb 1.71 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.64 2kvv h LEU 16 CO 0.20 0.82 -0.04 0.00 -0.13 0.00 0.00 178.44 179.29 2kvv h MET 17 N 0.65 0.00 -0.06 1.25 -0.00 -1.18 -0.08 114.93 115.51 2kvv h MET 17 Ca 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.83 2kvv h MET 17 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2kvv h MET 17 CO 0.01 0.04 -0.02 0.28 -0.00 0.00 0.00 176.91 177.22 2kvv h VAL 18 N 0.00 1.31 -0.51 -0.10 2.07 -1.49 0.17 116.25 117.70 2kvv h VAL 18 Ca -0.00 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 2kvv h VAL 18 Cb 0.08 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2kvv h VAL 18 CO 0.01 0.27 0.11 0.03 0.02 0.00 0.00 177.57 178.00 2kvv h ARG 19 N -0.24 0.83 0.00 1.57 2.47 -1.06 -3.33 114.38 114.62 2kvv h ARG 19 Ca 0.01 -0.21 -0.32 0.00 -1.26 0.00 0.00 59.98 58.21 2kvv h ARG 19 Cb 0.44 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.60 2kvv h ARG 19 CO 0.01 0.80 -1.94 0.25 0.56 0.00 0.00 179.97 179.65 2kvv n THR 20 N -4.43 1.54 -0.41 2.04 -2.24 -0.11 -4.99 114.28 105.68 2kvv n THR 20 Ca 0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2kvv n THR 20 Cb 0.24 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.77 3.87 3.38 0.00 0.59 -5.06 105.19 110.37 2kvv n GLY 21 Ca -0.23 0.00 -0.31 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 3.22 0.14 0.99 1.02 -1.20 -5.02 118.68 117.83 2kvv s LEU 22 Ca 0.00 1.42 0.05 0.00 0.02 0.00 0.00 54.13 55.62 2kvv s LEU 22 Cb 0.00 -4.46 -0.04 0.00 0.02 0.00 0.00 46.19 41.72 2kvv s LEU 22 CO 0.00 -0.91 0.08 -0.83 0.02 0.00 0.00 176.35 174.71 2kvv s GLY 23 N -4.17 1.80 0.28 -3.19 0.00 -1.26 -4.63 107.32 96.15 2kvv s GLY 23 Ca 0.55 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 44.09 2kvv s GLY 23 CO 0.54 -1.20 1.78 0.00 0.00 0.00 0.00 173.10 174.22 2kvv h ALA 24 N 2.75 1.43 0.00 3.20 0.00 -1.98 0.24 119.26 124.91 2kvv h ALA 24 Ca -0.47 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2kvv h ALA 24 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kvv h ALA 24 CO 0.62 -0.04 -0.10 0.07 0.00 0.00 0.00 179.25 179.80 2kvv h ARG 25 N 0.71 0.00 0.18 0.00 0.11 -2.01 -2.09 114.38 111.28 2kvv h ARG 25 Ca 0.51 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 60.26 2kvv h ARG 25 Cb 0.71 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.80 2kvv h ARG 25 CO -0.36 0.10 -1.63 0.37 0.10 0.00 0.00 179.97 178.56 2kvv h GLN 26 N 0.00 0.38 -1.01 0.08 4.15 -1.03 -3.35 115.11 114.32 2kvv h GLN 26 Ca -0.00 -0.64 0.04 0.00 0.77 0.00 0.00 58.65 58.81 2kvv h GLN 26 Cb 0.23 0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 2kvv h GLN 26 CO 0.01 1.31 0.66 0.82 -1.93 0.00 0.00 178.83 179.70 2kvv h ILE 27 N 0.01 1.18 -0.38 2.39 2.04 -0.50 -1.18 117.51 121.07 2kvv h ILE 27 Ca -0.32 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 2kvv h ILE 27 Cb 2.02 -0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2kvv h ILE 27 CO 0.16 0.23 0.12 1.05 0.00 0.00 0.00 178.15 179.72 2kvv h GLU 28 N 1.28 0.54 0.00 2.37 4.11 -1.56 0.20 114.58 121.52 2kvv h GLU 28 Ca 0.40 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.74 2kvv h GLU 28 Cb -0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kvv h GLU 28 CO -0.12 0.47 -0.09 1.03 0.07 0.00 0.00 179.01 180.36 2kvv h SER 29 N 0.53 0.00 0.51 3.06 0.87 -1.35 -1.87 113.55 115.31 2kvv h SER 29 Ca 0.13 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.40 2kvv h SER 29 Cb 0.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 2kvv h SER 29 CO -0.01 0.09 -1.64 1.88 -0.53 0.00 0.00 176.83 176.63 2kvv h TYR 30 N 0.00 0.09 0.00 2.24 0.05 -1.00 -3.36 116.97 115.00 2kvv h TYR 30 Ca -0.00 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2kvv h TYR 30 Cb 0.19 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 2kvv h TYR 30 CO 0.00 1.12 -0.01 0.00 -1.05 0.00 0.00 178.16 178.22 2kvv h ARG 31 N 0.01 0.00 0.00 4.88 3.08 0.12 0.21 114.38 122.68 2kvv h ARG 31 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2kvv h ARG 31 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.04 2kvv h ARG 31 CO 0.09 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 2kvv n GLN 32 N -3.15 0.18 0.00 0.04 10.64 -0.88 -4.59 117.38 119.62 2kvv n GLN 32 Ca -0.02 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2kvv n GLN 32 Cb 0.18 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 2kvv n GLN 32 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kvv n GLY 33 N 1.27 -0.55 0.29 2.61 0.00 -0.92 -4.99 105.19 102.89 2kvv n GLY 33 Ca 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.71 -1.69 4.61 0.00 -0.95 -3.41 119.26 118.53 2kvv h ALA 34 Ca 0.00 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 54.00 2kvv h ALA 34 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2kvv h ALA 34 CO 0.00 0.65 1.20 -1.58 0.00 0.00 0.00 179.25 179.52 2kvv s TRP 35 N -4.79 2.02 -0.15 0.00 0.23 -0.29 -4.98 118.94 110.98 2kvv s TRP 35 Ca -0.12 0.63 -0.13 0.00 -2.03 0.00 0.00 56.10 54.45 2kvv s TRP 35 Cb 0.12 -4.23 -0.05 0.00 0.03 0.00 0.00 33.47 29.35 2kvv s TRP 35 CO 0.86 -2.34 0.26 0.42 0.96 0.00 0.00 176.95 177.12 2kvv s ILE 36 N 6.87 5.32 0.52 2.03 1.01 -1.26 -4.91 121.20 130.78 2kvv s ILE 36 Ca 0.65 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 61.58 2kvv s ILE 36 Cb -0.15 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2kvv s ILE 36 CO 0.28 0.43 1.24 -1.83 0.00 0.00 0.00 174.94 175.06 2kvv s GLU 37 N 0.20 3.37 0.00 2.79 -1.05 -1.26 -0.54 118.70 122.21 2kvv s GLU 37 Ca 0.16 1.93 0.00 0.00 -0.15 0.00 0.00 54.97 56.90 2kvv s GLU 37 Cb -0.13 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 2kvv s GLU 37 CO 0.04 -0.91 0.00 0.41 0.95 0.00 0.00 175.26 175.74 2kvv n GLY 38 N 0.54 1.28 0.04 -3.83 0.00 0.25 -4.61 105.19 98.86 2kvv n GLY 38 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.42 116.25 114.53 2kvv h VAL 39 Ca 0.00 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2kvv h VAL 39 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2kvv h VAL 39 CO 0.00 0.00 -1.45 1.41 0.02 0.00 0.00 177.57 177.55 2kvv n HIS 40 N -3.99 0.60 -3.92 1.57 8.25 0.30 -4.86 115.22 113.17 2kvv n HIS 40 Ca -0.01 0.18 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 2kvv n HIS 40 Cb 0.05 -0.82 -0.05 0.00 1.12 0.00 0.00 29.99 30.29 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 -3.34 0.19 0.17 4.41 -0.12 -1.12 -0.87 117.98 117.30 2kvv s PHE 41 Ca -0.04 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.30 2kvv s PHE 41 Cb 0.11 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 2kvv s PHE 41 CO 0.84 -0.98 0.03 -1.59 -0.05 0.00 0.00 175.22 173.47 2kvv s LYS 42 N -3.97 1.10 0.06 1.99 -2.85 -0.63 0.84 119.74 116.28 2kvv s LYS 42 Ca 0.17 -1.54 -0.23 0.00 -1.00 0.00 0.00 55.97 53.38 2kvv s LYS 42 Cb -0.01 -0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.57 2kvv s LYS 42 CO 0.05 -0.18 0.68 1.03 0.10 0.00 0.00 175.35 177.02 2kvv s ARG 43 N -3.96 4.40 0.08 1.78 0.52 -1.26 -2.42 118.95 118.08 2kvv s ARG 43 Ca 0.26 0.91 0.08 0.00 -0.52 0.00 0.00 55.73 56.46 2kvv s ARG 43 Cb 0.07 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2kvv s ARG 43 CO 0.05 0.43 -0.20 0.08 0.02 0.00 0.00 175.30 175.67 2kvv s VAL 44 N -0.50 1.67 0.37 3.52 1.01 0.10 -4.93 120.40 121.64 2kvv s VAL 44 Ca 0.34 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 2kvv s VAL 44 Cb -0.20 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 2kvv s VAL 44 CO 0.21 0.05 1.29 -0.55 0.00 0.00 0.00 175.10 176.09 2kvv s SER 45 N -1.58 6.55 0.00 3.32 0.15 -1.26 -1.50 113.70 119.38 2kvv s SER 45 Ca 0.07 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.35 2kvv s SER 45 Cb -0.09 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2kvv s SER 45 CO 0.03 -0.68 0.62 -0.81 1.20 0.00 0.00 173.24 173.60 2kvv n PRO 46 N 0.44 0.95 0.00 5.44 -0.04 -1.26 -4.81 135.00 135.72 2kvv n PRO 46 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kvv n PRO 46 Cb 0.43 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2kvv n PRO 46 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kvv n SER 47 N 0.17 0.00 0.00 3.54 7.64 -1.26 -2.26 113.62 121.45 2kvv n SER 47 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kvv n SER 47 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.00 0.11 3.46 0.23 0.00 -1.26 -5.00 105.19 102.72 2kvv n GLY 48 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.85 3.16 -0.58 1.61 2.02 -0.96 -4.98 118.70 118.11 2kvv s GLU 49 Ca 0.00 -0.79 -0.26 0.00 0.02 0.00 0.00 54.97 53.94 2kvv s GLU 49 Cb 0.00 -4.16 -0.09 0.00 0.10 0.00 0.00 34.13 29.98 2kvv s GLU 49 CO 0.00 -1.54 2.42 0.21 0.02 0.00 0.00 175.26 176.37 2kvv s LYS 50 N 3.45 1.94 0.30 1.61 2.20 -1.26 -4.66 119.74 123.32 2kvv s LYS 50 Ca 0.21 1.14 0.08 0.00 -0.36 0.00 0.00 55.97 57.04 2kvv s LYS 50 Cb -0.18 -4.65 -0.04 0.00 -1.51 0.00 0.00 37.83 31.46 2kvv s LYS 50 CO 0.12 -3.64 0.12 0.95 -0.36 0.00 0.00 175.35 172.54 2kvv s THR 51 N 13.04 3.49 -1.24 3.43 -4.23 -1.26 -5.01 115.64 123.85 2kvv s THR 51 Ca 0.96 -1.67 0.15 0.00 -1.18 0.00 0.00 61.69 59.95 2kvv s THR 51 Cb -0.16 -3.04 0.60 0.00 1.34 0.00 0.00 72.50 71.24 2kvv s THR 51 CO 0.21 -0.27 1.48 0.18 -0.54 0.00 0.00 174.62 175.68 2kvv n LEU 52 N -1.10 4.02 -3.97 4.79 7.99 -1.26 -4.79 117.00 122.68 2kvv n LEU 52 Ca -0.05 -2.03 -0.31 0.00 -0.01 0.00 0.00 56.01 53.62 2kvv n LEU 52 Cb 0.60 -0.52 -0.15 0.00 -0.11 0.00 0.00 43.42 43.23 2kvv n LEU 52 CO 0.42 0.69 -0.36 -0.13 -1.51 0.00 0.00 177.39 176.51 2kvv s ARG 53 N -1.78 1.46 -0.18 3.23 1.81 -1.26 -5.09 118.95 117.14 2kvv s ARG 53 Ca 0.43 -1.58 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 2kvv s ARG 53 Cb 0.27 -2.89 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 2kvv s ARG 53 CO 0.21 -0.86 1.90 0.20 -0.68 0.00 0.00 175.30 176.06 2kvv s GLY 54 N 1.10 0.99 -0.25 -3.53 0.00 -1.26 -4.86 107.32 99.51 2kvv s GLY 54 Ca 0.06 0.71 -0.36 0.00 0.00 0.00 0.00 44.72 45.13 2kvv s GLY 54 CO -0.10 3.38 1.97 2.41 0.00 0.00 0.00 173.10 180.76 2kvv n THR 55 N 6.79 0.34 -3.11 0.90 -1.04 -0.56 -4.49 114.28 113.10 2kvv n THR 55 Ca 0.23 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 2kvv n THR 55 Cb 0.45 -1.61 -0.07 0.00 -1.82 0.00 0.00 70.33 67.28 2kvv n THR 55 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kvv s THR 56 N 5.32 4.83 -0.19 12.58 2.01 -1.26 0.00 115.64 138.93 2kvv s THR 56 Ca 1.01 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 63.06 2kvv s THR 56 Cb -0.86 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 67.41 2kvv s THR 56 CO 0.55 -0.58 0.06 0.26 -0.69 0.00 0.00 174.62 174.21 2kvv s TRP 57 N 2.80 3.21 0.37 4.92 0.52 -1.02 -4.21 118.94 125.53 2kvv s TRP 57 Ca 0.22 -0.02 -0.04 0.00 0.02 0.00 0.00 56.10 56.28 2kvv s TRP 57 Cb -0.14 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 2kvv s TRP 57 CO 0.19 0.06 0.64 0.71 0.02 0.00 0.00 176.95 178.56 2kvv s TYR 58 N 0.59 3.51 -0.43 -1.98 2.02 0.90 -1.61 117.35 120.35 2kvv s TYR 58 Ca 0.03 0.65 -0.19 0.00 -0.37 0.00 0.00 57.07 57.19 2kvv s TYR 58 Cb -0.13 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2kvv s TYR 58 CO 0.01 0.01 0.52 -0.80 -1.57 0.00 0.00 175.55 173.72 2kvv s ASN 59 N -3.65 6.25 0.16 2.29 0.01 -0.05 -0.75 114.94 119.20 2kvv s ASN 59 Ca 0.45 -0.53 -0.17 0.00 -0.71 0.00 0.00 52.86 51.90 2kvv s ASN 59 Cb -0.10 -2.26 0.09 0.00 0.41 0.00 0.00 41.25 39.38 2kvv s ASN 59 CO 0.36 -0.65 1.68 0.22 -1.51 0.00 0.00 177.10 177.19 2kvv h TYR 60 N 8.78 -0.17 -0.91 2.20 3.20 -1.60 -1.75 116.97 126.72 2kvv h TYR 60 Ca -0.26 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.77 2kvv h TYR 60 Cb 1.11 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.42 2kvv h TYR 60 CO 0.66 -0.15 0.53 -1.35 -1.64 0.00 0.00 178.16 176.22 2kvv h PRO 61 N 0.02 0.78 -0.19 1.82 0.11 -1.87 0.13 132.00 132.79 2kvv h PRO 61 Ca 0.18 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 2kvv h PRO 61 Cb 0.28 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 2kvv h PRO 61 CO -0.38 0.52 -0.49 0.93 -0.21 0.00 0.00 178.00 178.37 2kvv h GLU 62 N 0.80 0.52 0.13 1.05 4.39 -1.75 0.61 114.58 120.34 2kvv h GLU 62 Ca 0.47 -0.30 -0.26 0.00 0.34 0.00 0.00 59.36 59.61 2kvv h GLU 62 Cb 0.56 0.02 0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2kvv h GLU 62 CO -0.30 0.90 -1.11 0.82 -1.16 0.00 0.00 179.01 178.15 2kvv h ILE 63 N 0.41 1.35 -0.91 3.13 2.04 -0.94 -1.79 117.51 120.80 2kvv h ILE 63 Ca 0.02 -2.46 0.01 0.00 1.00 0.00 0.00 64.86 63.43 2kvv h ILE 63 Cb 1.01 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 39.90 2kvv h ILE 63 CO 0.09 0.73 0.60 -1.13 0.00 0.00 0.00 178.15 178.45 2kvv h ASN 64 N 0.06 1.04 -0.54 1.72 -0.73 -0.76 -0.07 115.58 116.31 2kvv h ASN 64 Ca -0.18 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 57.98 2kvv h ASN 64 Cb 1.82 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 40.13 2kvv h ASN 64 CO 0.21 0.75 0.36 0.50 -0.37 0.00 0.00 177.43 178.88 2kvv h LYS 65 N 1.23 0.70 -0.46 6.67 3.64 -0.91 -0.88 116.57 126.56 2kvv h LYS 65 Ca 0.34 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2kvv h LYS 65 Cb -0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.51 2kvv h LYS 65 CO -0.08 0.47 0.28 0.35 -2.27 0.00 0.00 179.45 178.20 2kvv h PHE 66 N 0.73 0.53 -0.17 1.91 3.57 -0.56 -0.11 116.94 122.83 2kvv h PHE 66 Ca 0.20 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.72 2kvv h PHE 66 Cb -0.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 2kvv h PHE 66 CO -0.04 0.31 0.10 0.82 -2.23 0.00 0.00 178.31 177.27 2kvv h ILE 67 N 0.56 1.01 -0.13 1.41 2.04 -0.84 0.12 117.51 121.68 2kvv h ILE 67 Ca 0.18 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2kvv h ILE 67 Cb -0.01 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2kvv h ILE 67 CO -0.07 0.04 -0.15 -0.09 0.00 0.00 0.00 178.15 177.87 2kvv h ARG 68 N 0.20 -0.18 -0.47 2.37 1.12 -0.82 0.42 114.38 117.02 2kvv h ARG 68 Ca 0.07 0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.82 2kvv h ARG 68 Cb 0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 2kvv h ARG 68 CO -0.04 -0.12 -0.24 0.22 -3.11 0.00 0.00 179.97 176.68 2kvv h ASP 69 N -0.19 1.01 -0.00 -3.80 3.58 -0.89 -0.49 116.42 115.63 2kvv h ASP 69 Ca 0.09 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.15 2kvv h ASP 69 Cb 0.33 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kvv h ASP 69 CO -0.24 1.19 0.00 -1.28 -2.88 0.00 0.00 179.24 176.03 2kvv h SER 70 N 0.84 0.00 -0.59 2.28 0.87 -0.58 -1.59 113.55 114.78 2kvv h SER 70 Ca 0.10 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2kvv h SER 70 Cb 0.82 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 2kvv h SER 70 CO 0.07 0.19 0.33 -0.07 -0.53 0.00 0.00 176.83 176.81 2kvv h LEU 71 N -0.18 0.73 -6.00 2.23 -0.00 -0.89 -3.42 115.31 107.78 2kvv h LEU 71 Ca 0.00 -0.09 0.09 0.00 -0.00 0.00 0.00 57.88 57.88 2kvv h LEU 71 Cb 0.18 -0.19 -0.21 0.00 -0.00 0.00 0.00 40.66 40.45 2kvv h LEU 71 CO -0.00 0.61 -0.26 -1.83 -0.00 0.00 0.00 178.44 176.96 2kvv s GLU 72 N -5.87 0.53 -0.50 1.13 -1.05 -0.20 -5.03 118.70 107.72 2kvv s GLU 72 Ca -0.13 0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 55.50 2kvv s GLU 72 Cb 0.13 0.47 -0.14 0.00 -0.44 0.00 0.00 34.13 34.15 2kvv s GLU 72 CO 0.77 -0.66 3.25 -2.39 0.95 0.00 0.00 175.26 177.18 2kvv n HIS 73 N 5.43 0.96 -3.28 4.83 1.44 -0.61 -4.27 115.22 119.72 2kvv n HIS 73 Ca -0.00 -1.99 -0.35 0.00 -2.01 0.00 0.00 57.72 53.37 2kvv n HIS 73 Cb 0.52 -1.75 -0.06 0.00 0.12 0.00 0.00 29.99 28.82 2kvv n HIS 73 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kvv s HIS 74 N 0.56 3.56 -0.45 -1.40 3.76 -1.26 -5.07 115.29 114.99 2kvv s HIS 74 Ca 0.65 1.13 0.02 0.00 -0.15 0.00 0.00 55.06 56.71 2kvv s HIS 74 Cb 0.30 -2.43 0.13 0.00 1.11 0.00 0.00 32.58 31.69 2kvv s HIS 74 CO -0.06 0.34 0.22 -3.38 -0.85 0.00 0.00 174.74 171.01 2kvv s HIS 75 N -1.60 2.36 -1.20 1.40 -3.43 -1.26 -5.05 115.29 106.51 2kvv s HIS 75 Ca 0.42 -2.60 -0.19 0.00 -0.80 0.00 0.00 55.06 51.89 2kvv s HIS 75 Cb -0.14 -2.17 0.08 0.00 -1.43 0.00 0.00 32.58 28.92 2kvv s HIS 75 CO 0.20 -0.79 1.60 -1.01 -2.00 0.00 0.00 174.74 172.74 2kvv s HIS 76 N 0.30 2.83 0.00 0.38 3.76 -1.26 -3.44 115.29 117.86 2kvv s HIS 76 Ca 0.17 -1.49 0.00 0.00 -0.15 0.00 0.00 55.06 53.59 2kvv s HIS 76 Cb -0.24 -4.66 0.00 0.00 1.11 0.00 0.00 32.58 28.78 2kvv s HIS 76 CO -0.02 -1.77 0.00 1.58 -0.85 0.00 0.00 174.74 173.68 2kvv n HIS 77 N 8.08 0.00 0.38 1.40 -0.00 -1.26 -5.36 115.22 118.45 2kvv n HIS 77 Ca 0.42 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.19 2kvv n HIS 77 Cb 0.47 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.50 2kvv n HIS 77 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92