#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 -1.21 -4.05 3.17 0.00 -2.13 -3.43 119.26 111.60 2kvv h ALA 2 Ca 0.00 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 54.20 2kvv h ALA 2 Cb 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 17.79 18.08 2kvv h ALA 2 CO 0.00 -1.20 -0.81 -1.14 0.00 0.00 0.00 179.25 176.11 2kvv s GLN 3 N -5.96 1.06 -0.88 0.00 0.74 -1.26 -5.09 119.66 108.26 2kvv s GLN 3 Ca -0.19 -0.58 -0.25 0.00 0.05 0.00 0.00 55.36 54.39 2kvv s GLN 3 Cb 0.03 -1.04 0.05 0.00 1.10 0.00 0.00 33.01 33.14 2kvv s GLN 3 CO 0.61 0.28 1.34 0.42 -0.55 0.00 0.00 175.29 177.39 2kvv s ILE 4 N -0.49 3.88 -0.36 -2.34 -1.09 -1.26 -4.98 121.20 114.55 2kvv s ILE 4 Ca 0.04 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2kvv s ILE 4 Cb -0.06 -4.97 0.02 0.00 -1.58 0.00 0.00 42.46 35.86 2kvv s ILE 4 CO 0.00 -1.87 1.14 -0.63 -1.23 0.00 0.00 174.94 172.36 2kvv s ILE 5 N 5.18 4.34 -0.01 2.92 1.09 -1.26 -4.95 121.20 128.51 2kvv s ILE 5 Ca 0.40 1.49 -0.25 0.00 -1.10 0.00 0.00 60.65 61.19 2kvv s ILE 5 Cb -0.04 -4.42 -0.18 0.00 -1.06 0.00 0.00 42.46 36.76 2kvv s ILE 5 CO 0.02 -0.64 1.22 -0.26 -0.10 0.00 0.00 174.94 175.18 2kvv h PHE 6 N 8.71 -0.15 -0.97 3.97 0.04 -2.07 -3.47 116.94 123.00 2kvv h PHE 6 Ca -0.22 -0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.24 2kvv h PHE 6 Cb 1.07 0.05 -0.10 0.00 2.20 0.00 0.00 35.95 39.17 2kvv h PHE 6 CO 0.89 0.25 -0.30 0.09 -0.60 0.00 0.00 178.31 178.64 2kvv n ASN 7 N -4.96 -4.76 -1.66 2.17 5.03 -1.26 -4.88 115.26 104.94 2kvv n ASN 7 Ca -0.09 0.30 -0.02 0.00 0.87 0.00 0.00 54.58 55.65 2kvv n ASN 7 Cb 0.24 -3.64 0.29 0.00 -1.02 0.00 0.00 39.78 35.66 2kvv n ASN 7 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2kvv n GLU 8 N -2.54 3.42 -2.18 3.52 -0.00 -1.26 -4.84 120.64 116.75 2kvv n GLU 8 Ca -0.16 -3.06 -0.31 0.00 -0.00 0.00 0.00 57.16 53.63 2kvv n GLU 8 Cb 0.52 -2.10 -0.05 0.00 -0.00 0.00 0.00 31.44 29.82 2kvv n GLU 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2kvv s GLU 9 N -2.98 2.82 -0.19 3.44 8.01 -1.26 -4.94 118.70 123.60 2kvv s GLU 9 Ca 0.51 -1.14 -0.08 0.00 0.01 0.00 0.00 54.97 54.27 2kvv s GLU 9 Cb 0.41 -5.27 -0.04 0.00 -4.31 0.00 0.00 34.13 24.93 2kvv s GLU 9 CO 0.11 -3.48 0.08 -1.58 0.01 0.00 0.00 175.26 170.40 2kvv s TRP 10 N 9.38 3.29 0.12 1.61 0.52 -1.26 -2.50 118.94 130.10 2kvv s TRP 10 Ca 0.65 0.14 -0.07 0.00 0.02 0.00 0.00 56.10 56.84 2kvv s TRP 10 Cb -0.01 -2.10 -0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2kvv s TRP 10 CO 0.08 0.19 0.19 0.00 0.02 0.00 0.00 176.95 177.44 2kvv s MET 11 N 0.38 0.95 0.79 4.98 0.23 -1.25 -4.99 119.30 120.39 2kvv s MET 11 Ca 0.04 -1.11 -0.11 0.00 -1.03 0.00 0.00 55.69 53.48 2kvv s MET 11 Cb -0.12 0.33 0.06 0.00 -1.53 0.00 0.00 34.83 33.58 2kvv s MET 11 CO -0.00 -0.31 1.08 0.14 -2.03 0.00 0.00 175.02 173.90 2kvv s VAL 12 N -3.93 3.28 0.25 5.16 -7.23 -1.26 -2.58 120.40 114.10 2kvv s VAL 12 Ca 0.12 0.42 -0.04 0.00 -1.81 0.00 0.00 61.98 60.66 2kvv s VAL 12 Cb 0.05 -3.03 0.23 0.00 0.56 0.00 0.00 36.38 34.18 2kvv s VAL 12 CO -0.05 -0.54 1.71 -0.08 -0.31 0.00 0.00 175.10 175.82 2kvv h GLU 13 N -1.11 0.35 -0.59 4.82 4.81 -1.99 0.27 114.58 121.15 2kvv h GLU 13 Ca -0.46 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2kvv h GLU 13 Cb 1.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2kvv h GLU 13 CO 0.55 0.23 0.35 -0.22 -0.73 0.00 0.00 179.01 179.20 2kvv h LYS 14 N 0.36 0.67 -0.07 1.92 3.11 -1.99 -0.91 116.57 119.65 2kvv h LYS 14 Ca 0.42 -0.04 -0.17 0.00 -2.81 0.00 0.00 60.65 58.05 2kvv h LYS 14 Cb 0.69 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 2kvv h LYS 14 CO -0.46 0.44 -0.70 0.00 -2.81 0.00 0.00 179.45 175.92 2kvv h ALA 15 N 1.27 0.66 -0.00 5.00 0.00 -1.61 -3.24 119.26 121.34 2kvv h ALA 15 Ca 0.24 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kvv h ALA 15 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kvv h ALA 15 CO -0.11 0.77 0.00 1.25 0.00 0.00 0.00 179.25 181.16 2kvv h LEU 16 N 0.24 0.00 -2.01 0.00 7.12 0.12 -1.54 115.31 119.25 2kvv h LEU 16 Ca -0.02 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 2kvv h LEU 16 Cb 1.26 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 2kvv h LEU 16 CO 0.12 0.04 -0.05 0.00 -0.13 0.00 0.00 178.44 178.42 2kvv h MET 17 N -0.04 0.00 -0.11 1.25 -0.00 -1.27 0.29 114.93 115.06 2kvv h MET 17 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.48 2kvv h MET 17 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.64 2kvv h MET 17 CO -0.00 0.05 -0.80 0.28 -0.00 0.00 0.00 176.91 176.43 2kvv h VAL 18 N 0.00 1.32 0.00 -0.10 2.07 -1.47 0.28 116.25 118.35 2kvv h VAL 18 Ca -0.00 -2.08 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 2kvv h VAL 18 Cb 0.09 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2kvv h VAL 18 CO 0.01 0.65 -0.40 0.03 0.02 0.00 0.00 177.57 177.87 2kvv h ARG 19 N 0.43 0.00 0.00 1.57 2.47 -0.38 -3.35 114.38 115.12 2kvv h ARG 19 Ca -0.06 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.38 2kvv h ARG 19 Cb 1.42 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.68 2kvv h ARG 19 CO 0.15 0.40 -2.07 0.25 0.56 0.00 0.00 179.97 179.27 2kvv n THR 20 N -3.26 1.07 -0.36 2.04 -2.24 0.00 -5.02 114.28 106.51 2kvv n THR 20 Ca 0.02 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2kvv n THR 20 Cb 0.65 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 2.05 0.82 3.91 3.38 0.00 0.97 -5.06 105.19 111.26 2kvv n GLY 21 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 2.87 0.24 0.99 1.02 -1.11 -5.02 118.68 117.68 2kvv s LEU 22 Ca 0.00 0.69 0.07 0.00 0.02 0.00 0.00 54.13 54.91 2kvv s LEU 22 Cb 0.00 -3.38 -0.04 0.00 0.02 0.00 0.00 46.19 42.79 2kvv s LEU 22 CO 0.00 -1.48 0.14 -0.83 0.02 0.00 0.00 176.35 174.20 2kvv s GLY 23 N -4.45 1.50 0.23 -3.19 0.00 -1.26 -4.73 107.32 95.41 2kvv s GLY 23 Ca 0.59 -1.45 -0.08 0.00 0.00 0.00 0.00 44.72 43.78 2kvv s GLY 23 CO 0.47 -1.49 1.69 0.00 0.00 0.00 0.00 173.10 173.76 2kvv h ALA 24 N 1.70 0.81 -0.01 3.20 0.00 -1.99 -0.22 119.26 122.76 2kvv h ALA 24 Ca -0.47 0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 2kvv h ALA 24 Cb 1.24 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kvv h ALA 24 CO 0.61 -0.33 -0.91 -0.09 0.00 0.00 0.00 179.25 178.53 2kvv h ARG 25 N 0.24 0.39 -0.82 0.00 2.43 -1.99 -2.56 114.38 112.07 2kvv h ARG 25 Ca 0.37 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2kvv h ARG 25 Cb 0.60 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2kvv h ARG 25 CO -0.48 1.07 0.43 0.37 -1.51 0.00 0.00 179.97 179.85 2kvv h GLN 26 N 0.22 1.16 -0.08 0.20 4.15 -1.75 -1.74 115.11 117.26 2kvv h GLN 26 Ca -0.07 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 2kvv h GLN 26 Cb 1.53 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 29.00 2kvv h GLN 26 CO 0.15 0.87 -0.01 0.82 -1.93 0.00 0.00 178.83 178.74 2kvv h ILE 27 N 1.15 1.26 0.00 2.39 2.04 -1.05 -2.72 117.51 120.58 2kvv h ILE 27 Ca 0.29 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2kvv h ILE 27 Cb 0.07 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2kvv h ILE 27 CO -0.04 0.23 -0.06 1.05 0.00 0.00 0.00 178.15 179.33 2kvv h GLU 28 N -0.16 0.00 -0.04 2.37 4.11 -1.33 0.16 114.58 119.68 2kvv h GLU 28 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2kvv h GLU 28 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kvv h GLU 28 CO 0.00 0.06 -0.01 1.03 0.07 0.00 0.00 179.01 180.17 2kvv h SER 29 N 0.00 0.08 -0.16 3.06 0.87 -1.18 -3.04 113.55 113.19 2kvv h SER 29 Ca -0.00 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 2kvv h SER 29 Cb 0.24 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2kvv h SER 29 CO 0.01 0.42 -0.01 1.88 -0.53 0.00 0.00 176.83 178.59 2kvv h TYR 30 N -0.25 0.43 0.00 2.24 0.05 -0.93 -1.29 116.97 117.21 2kvv h TYR 30 Ca 0.01 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2kvv h TYR 30 Cb 0.38 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2kvv h TYR 30 CO 0.05 0.44 0.00 0.54 -1.05 0.00 0.00 178.16 178.14 2kvv n ARG 31 N -4.31 0.11 -0.49 4.88 1.74 0.43 -1.11 116.66 117.91 2kvv n ARG 31 Ca 0.01 0.56 0.11 0.00 -0.77 0.00 0.00 57.85 57.75 2kvv n ARG 31 Cb 0.23 -1.82 0.34 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.04 3.22 0.00 5.56 6.02 -0.49 -4.73 117.38 124.92 2kvv n GLN 32 Ca -0.00 -2.77 0.00 0.00 -0.01 0.00 0.00 57.00 54.21 2kvv n GLN 32 Cb 0.06 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.60 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 1.39 -1.94 0.28 1.08 0.00 -0.27 -4.99 105.19 100.75 2kvv n GLY 33 Ca 0.25 0.57 0.11 0.00 0.00 0.00 0.00 46.02 46.95 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 0.95 2.01 -1.91 4.61 0.00 -1.57 -3.41 119.26 119.94 2kvv h ALA 34 Ca 0.00 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2kvv h ALA 34 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kvv h ALA 34 CO 0.00 -0.09 1.12 -1.58 0.00 0.00 0.00 179.25 178.70 2kvv s TRP 35 N -5.00 2.23 -0.13 0.00 0.23 -0.49 -4.92 118.94 110.85 2kvv s TRP 35 Ca -0.05 0.66 -0.04 0.00 -2.03 0.00 0.00 56.10 54.63 2kvv s TRP 35 Cb 0.17 -4.11 -0.03 0.00 0.03 0.00 0.00 33.47 29.52 2kvv s TRP 35 CO 0.66 -2.43 0.02 0.42 0.96 0.00 0.00 176.95 176.58 2kvv s ILE 36 N 5.52 4.46 0.23 2.03 1.01 -1.26 -4.92 121.20 128.27 2kvv s ILE 36 Ca 0.68 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.85 2kvv s ILE 36 Cb -0.19 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 39.23 2kvv s ILE 36 CO 0.30 0.53 1.55 -1.83 0.00 0.00 0.00 174.94 175.50 2kvv s GLU 37 N -0.21 4.20 0.00 2.79 -1.05 -1.26 -0.50 118.70 122.67 2kvv s GLU 37 Ca 0.06 2.43 0.00 0.00 -0.15 0.00 0.00 54.97 57.31 2kvv s GLU 37 Cb -0.12 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 2kvv s GLU 37 CO 0.02 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.07 2kvv n GLY 38 N 2.85 2.37 0.13 -3.83 0.00 0.16 -4.70 105.19 102.17 2kvv n GLY 38 Ca 0.10 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.57 0.39 1.61 0.31 -0.99 -4.58 118.33 116.64 2kvv n VAL 39 Ca 0.00 -0.56 0.04 0.00 -0.01 0.00 0.00 64.34 63.81 2kvv n VAL 39 Cb 0.00 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.37 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 -3.43 0.00 -3.61 3.52 8.25 0.35 -4.75 115.22 115.54 2kvv n HIS 40 Ca -0.43 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 56.99 2kvv n HIS 40 Cb 0.99 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.08 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 -1.33 -0.17 0.13 4.41 -0.12 -1.20 -1.26 117.98 118.44 2kvv s PHE 41 Ca 0.07 0.02 -0.11 0.00 -0.05 0.00 0.00 56.93 56.86 2kvv s PHE 41 Cb 0.07 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 43.03 2kvv s PHE 41 CO 0.24 -0.47 0.29 -1.59 -0.05 0.00 0.00 175.22 173.65 2kvv s LYS 42 N -2.83 1.03 -0.28 1.99 -2.85 -0.44 0.37 119.74 116.73 2kvv s LYS 42 Ca 0.10 -0.95 -0.22 0.00 -1.00 0.00 0.00 55.97 53.90 2kvv s LYS 42 Cb 0.00 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 2kvv s LYS 42 CO -0.04 -0.37 0.73 1.03 0.10 0.00 0.00 175.35 176.80 2kvv s ARG 43 N -3.88 4.02 -0.09 1.78 1.81 -1.26 -1.97 118.95 119.37 2kvv s ARG 43 Ca 0.08 0.59 -0.15 0.00 -1.72 0.00 0.00 55.73 54.53 2kvv s ARG 43 Cb 0.03 -3.70 -0.05 0.00 -0.45 0.00 0.00 34.95 30.79 2kvv s ARG 43 CO -0.08 -0.57 0.37 0.08 -0.68 0.00 0.00 175.30 174.42 2kvv s VAL 44 N 2.78 5.18 -0.22 3.52 1.01 -0.21 -4.96 120.40 127.50 2kvv s VAL 44 Ca 0.30 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 2kvv s VAL 44 Cb -0.15 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 2kvv s VAL 44 CO 0.11 0.46 1.18 -0.44 0.00 0.00 0.00 175.10 176.41 2kvv s SER 45 N -0.19 6.95 -0.51 3.32 0.01 -1.26 -2.17 113.70 119.86 2kvv s SER 45 Ca 0.21 1.46 -0.28 0.00 1.31 0.00 0.00 55.95 58.65 2kvv s SER 45 Cb -0.15 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.55 2kvv s SER 45 CO 0.09 -0.79 1.45 -2.16 0.41 0.00 0.00 173.24 172.24 2kvv s PRO 46 N 3.53 3.35 0.35 12.44 0.04 -1.26 -4.91 135.00 148.54 2kvv s PRO 46 Ca 0.51 0.66 0.12 0.00 0.04 0.00 0.00 61.00 62.32 2kvv s PRO 46 Cb -0.18 -4.11 0.92 0.00 0.04 0.00 0.00 34.50 31.17 2kvv s PRO 46 CO 0.13 -1.86 1.78 1.03 0.04 0.00 0.00 177.00 178.13 2kvv h SER 47 N 11.23 0.62 0.00 6.66 0.87 -2.02 -3.25 113.55 127.66 2kvv h SER 47 Ca -0.27 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2kvv h SER 47 Cb 1.10 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2kvv h SER 47 CO 1.14 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 178.24 2kvv n GLY 48 N -1.40 0.51 3.54 5.77 0.00 -1.26 -4.59 105.19 107.77 2kvv n GLY 48 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.17 3.68 -1.18 1.61 8.01 -1.24 -4.93 118.70 124.48 2kvv s GLU 49 Ca 0.00 -1.41 -0.22 0.00 0.01 0.00 0.00 54.97 53.35 2kvv s GLU 49 Cb 0.00 -5.32 -0.06 0.00 -4.31 0.00 0.00 34.13 24.44 2kvv s GLU 49 CO 0.00 -2.14 1.89 0.15 0.01 0.00 0.00 175.26 175.17 2kvv s LYS 50 N 4.41 2.75 0.16 1.61 -0.14 -1.23 -4.67 119.74 122.64 2kvv s LYS 50 Ca 0.45 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.85 2kvv s LYS 50 Cb -0.00 -5.28 0.00 0.00 -1.68 0.00 0.00 37.83 30.88 2kvv s LYS 50 CO -0.06 -3.63 0.03 0.25 -0.76 0.00 0.00 175.35 171.17 2kvv n THR 51 N 7.57 0.00 1.51 2.17 -2.24 -1.26 -5.02 114.28 117.01 2kvv n THR 51 Ca 0.45 -0.74 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2kvv n THR 51 Cb 0.47 0.03 0.47 0.00 -2.10 0.00 0.00 70.33 69.19 2kvv n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kvv n LEU 52 N 0.00 1.09 -0.97 3.22 7.99 -1.26 -3.92 117.00 123.15 2kvv n LEU 52 Ca -0.05 -0.44 0.01 0.00 -0.01 0.00 0.00 56.01 55.51 2kvv n LEU 52 Cb 0.20 -0.06 0.11 0.00 -0.11 0.00 0.00 43.42 43.56 2kvv n LEU 52 CO 0.11 0.22 0.47 0.54 -1.51 0.00 0.00 177.39 177.22 2kvv n ARG 53 N -0.08 1.99 -1.61 3.23 5.12 -1.26 -4.97 116.66 119.09 2kvv n ARG 53 Ca 0.16 -0.89 -0.56 0.00 -1.93 0.00 0.00 57.85 54.64 2kvv n ARG 53 Cb 0.24 -1.66 -0.07 0.00 -1.16 0.00 0.00 32.46 29.82 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 0.15 0.36 3.64 -0.13 0.00 -1.25 -4.78 105.19 103.18 2kvv n GLY 54 Ca 0.09 0.78 -0.49 0.00 0.00 0.00 0.00 46.02 46.41 2kvv n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kvv n THR 55 N 2.82 0.48 -2.72 2.61 -1.04 -0.92 -4.39 114.28 111.12 2kvv n THR 55 Ca 0.21 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 2kvv n THR 55 Cb 0.13 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 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 5.04 4.21 0.31 12.58 2.01 -1.26 -1.05 115.64 137.48 2kvv s THR 56 Ca 0.97 0.51 -0.09 0.00 0.31 0.00 0.00 61.69 63.39 2kvv s THR 56 Cb -0.70 -4.64 -0.07 0.00 0.01 0.00 0.00 72.50 67.10 2kvv s THR 56 CO 0.50 -1.25 0.63 0.26 -0.69 0.00 0.00 174.62 174.08 2kvv s TRP 57 N 4.44 3.45 0.10 4.92 0.52 -0.83 -4.63 118.94 126.91 2kvv s TRP 57 Ca 0.35 0.89 0.07 0.00 0.02 0.00 0.00 56.10 57.44 2kvv s TRP 57 Cb -0.10 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 2kvv s TRP 57 CO 0.21 0.12 -0.11 0.71 0.02 0.00 0.00 176.95 177.89 2kvv s TYR 58 N -2.07 2.71 -0.88 -1.98 2.02 -1.06 -1.32 117.35 114.76 2kvv s TYR 58 Ca 0.48 -0.17 -0.25 0.00 -0.37 0.00 0.00 57.07 56.77 2kvv s TYR 58 Cb -0.11 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2kvv s TYR 58 CO 0.26 0.41 1.53 -0.80 -1.57 0.00 0.00 175.55 175.39 2kvv s ASN 59 N -2.15 6.05 0.18 2.29 -0.87 -0.39 -3.81 114.94 116.23 2kvv s ASN 59 Ca 0.21 -0.87 -0.14 0.00 -1.57 0.00 0.00 52.86 50.49 2kvv s ASN 59 Cb -0.11 -2.56 0.15 0.00 -0.02 0.00 0.00 41.25 38.71 2kvv s ASN 59 CO 0.13 -1.90 1.74 0.22 -2.57 0.00 0.00 177.10 174.72 2kvv h TYR 60 N 10.65 0.26 -0.61 2.20 3.20 -1.82 -1.34 116.97 129.50 2kvv h TYR 60 Ca 0.01 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.03 2kvv h TYR 60 Cb 1.04 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 39.15 2kvv h TYR 60 CO 1.21 0.08 -0.03 -1.00 -1.64 0.00 0.00 178.16 176.77 2kvv h PRO 61 N 0.31 0.09 -0.05 1.82 0.13 -1.89 0.25 132.00 132.66 2kvv h PRO 61 Ca 0.22 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.16 2kvv h PRO 61 Cb 0.24 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2kvv h PRO 61 CO -0.24 0.06 -0.78 0.93 -0.23 0.00 0.00 178.00 177.73 2kvv h GLU 62 N 0.09 0.36 -0.38 0.86 4.39 -1.83 -0.28 114.58 117.80 2kvv h GLU 62 Ca 0.32 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2kvv h GLU 62 Cb 0.51 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2kvv h GLU 62 CO -0.55 0.98 -0.09 0.82 -1.16 0.00 0.00 179.01 179.01 2kvv h ILE 63 N 0.23 1.28 -0.68 3.13 2.04 -0.70 0.19 117.51 123.00 2kvv h ILE 63 Ca -0.04 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 2kvv h ILE 63 Cb 1.37 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 2kvv h ILE 63 CO 0.13 0.39 0.30 -1.13 0.00 0.00 0.00 178.15 177.84 2kvv h ASN 64 N 0.53 0.91 -0.47 1.72 -0.73 -0.54 -1.08 115.58 115.92 2kvv h ASN 64 Ca 0.10 -0.15 0.06 0.00 1.87 0.00 0.00 56.30 58.17 2kvv h ASN 64 Cb 0.60 -0.24 -0.05 0.00 0.27 0.00 0.00 38.32 38.90 2kvv h ASN 64 CO 0.04 0.81 0.17 0.50 -0.37 0.00 0.00 177.43 178.57 2kvv h LYS 65 N 0.95 0.33 0.13 6.67 3.11 -0.85 0.37 116.57 127.28 2kvv h LYS 65 Ca 0.23 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 2kvv h LYS 65 Cb 0.16 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 2kvv h LYS 65 CO -0.02 0.22 -0.10 0.35 -2.81 0.00 0.00 179.45 177.08 2kvv h PHE 66 N 0.34 -0.26 0.00 1.91 3.57 -0.64 -2.65 116.94 119.21 2kvv h PHE 66 Ca 0.22 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2kvv h PHE 66 Cb 0.22 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2kvv h PHE 66 CO -0.16 -0.16 -0.20 0.82 -2.23 0.00 0.00 178.31 176.39 2kvv h ILE 67 N -0.24 1.13 -0.08 1.41 2.04 -0.91 -2.47 117.51 118.40 2kvv h ILE 67 Ca -0.00 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.19 2kvv h ILE 67 Cb 0.22 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2kvv h ILE 67 CO -0.01 0.19 -0.02 -0.09 0.00 0.00 0.00 178.15 178.23 2kvv h ARG 68 N 0.00 0.01 0.00 2.37 1.12 0.08 0.21 114.38 118.17 2kvv h ARG 68 Ca -0.00 -0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 2kvv h ARG 68 Cb 0.35 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.29 2kvv h ARG 68 CO 0.03 0.00 -0.67 0.22 -3.11 0.00 0.00 179.97 176.43 2kvv h ASP 69 N 0.01 0.00 -0.24 -3.80 3.58 -1.40 -2.71 116.42 111.85 2kvv h ASP 69 Ca 0.04 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 2kvv h ASP 69 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2kvv h ASP 69 CO -0.08 0.67 -0.48 -1.28 -2.88 0.00 0.00 179.24 175.20 2kvv h SER 70 N 0.00 0.83 0.26 2.28 0.87 -1.18 -3.36 113.55 113.26 2kvv h SER 70 Ca -0.01 -0.55 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 2kvv h SER 70 Cb 1.32 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2kvv h SER 70 CO 0.09 1.22 -0.12 0.25 -0.53 0.00 0.00 176.83 177.74 2kvv h LEU 71 N 0.47 -0.29 0.00 2.23 7.12 -0.61 -3.46 115.31 120.77 2kvv h LEU 71 Ca 0.01 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2kvv h LEU 71 Cb 1.09 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2kvv h LEU 71 CO 0.11 0.20 0.00 -0.62 -0.13 0.00 0.00 178.44 177.99 2kvv n GLU 72 N -5.02 0.00 -1.55 1.25 1.02 -1.03 -4.82 120.64 110.50 2kvv n GLU 72 Ca -0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 2kvv n GLU 72 Cb 0.25 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.63 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 1.33 -1.52 -0.32 -0.00 -1.26 -4.79 115.22 108.66 2kvv n HIS 73 Ca 0.00 0.13 -0.39 0.00 0.46 0.00 0.00 57.72 57.92 2kvv n HIS 73 Cb 0.00 -2.60 -0.11 0.00 -0.12 0.00 0.00 29.99 27.16 2kvv n HIS 73 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kvv n HIS 74 N 15.68 0.88 -3.58 1.57 1.44 -1.26 -4.92 115.22 125.04 2kvv n HIS 74 Ca 0.40 0.28 -0.36 0.00 -2.01 0.00 0.00 57.72 56.03 2kvv n HIS 74 Cb 0.50 -2.46 -0.07 0.00 0.12 0.00 0.00 29.99 28.07 2kvv n HIS 74 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvv s HIS 75 N 10.19 3.44 0.87 -1.40 5.04 -1.26 -5.10 115.29 127.07 2kvv s HIS 75 Ca 1.22 0.52 -0.10 0.00 -1.54 0.00 0.00 55.06 55.15 2kvv s HIS 75 Cb -0.84 -2.30 0.17 0.00 0.04 0.00 0.00 32.58 29.65 2kvv s HIS 75 CO 0.40 0.24 1.20 -1.01 -2.34 0.00 0.00 174.74 173.23 2kvv s HIS 76 N 0.49 1.57 0.67 3.88 3.76 -1.26 -5.05 115.29 119.34 2kvv s HIS 76 Ca 0.14 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 2kvv s HIS 76 Cb -0.12 -3.69 0.01 0.00 1.11 0.00 0.00 32.58 29.88 2kvv s HIS 76 CO 0.02 -2.30 1.20 -1.58 -0.85 0.00 0.00 174.74 171.23 2kvv s HIS 77 N -3.61 2.25 0.00 1.40 2.46 -1.26 -5.32 115.29 111.21 2kvv s HIS 77 Ca 0.71 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.80 2kvv s HIS 77 Cb -0.04 -3.44 0.00 0.00 -0.13 0.00 0.00 32.58 28.97 2kvv s HIS 77 CO 0.50 -2.36 0.30 -2.39 -2.47 0.00 0.00 174.74 168.32