#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 -1.72 -0.64 3.17 0.00 -1.26 -5.12 121.76 116.20 2kvv s ALA 2 Ca 0.00 1.95 -0.25 0.00 0.00 0.00 0.00 51.96 53.66 2kvv s ALA 2 Cb 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 22.05 2kvv s ALA 2 CO 0.00 -0.33 1.06 -1.14 0.00 0.00 0.00 175.76 175.35 2kvv s GLN 3 N 0.34 3.24 -0.78 0.00 -0.44 -1.26 -4.94 119.66 115.82 2kvv s GLN 3 Ca -0.00 -0.39 0.03 0.00 -2.50 0.00 0.00 55.36 52.50 2kvv s GLN 3 Cb -0.05 -4.14 0.28 0.00 -1.64 0.00 0.00 33.01 27.47 2kvv s GLN 3 CO 0.01 -1.78 1.04 -0.89 0.50 0.00 0.00 175.29 174.17 2kvv n ILE 4 N 6.20 3.52 -3.81 -2.34 2.08 -1.26 -4.99 119.36 118.76 2kvv n ILE 4 Ca 0.01 -5.52 -0.26 0.00 0.56 0.00 0.00 62.75 57.54 2kvv n ILE 4 Cb 0.47 -1.98 -0.17 0.00 -0.75 0.00 0.00 39.64 37.22 2kvv n ILE 4 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2kvv s ILE 5 N -2.92 0.70 -0.15 1.39 1.09 -1.26 -5.13 121.20 114.91 2kvv s ILE 5 Ca 0.38 -0.33 -0.30 0.00 -1.10 0.00 0.00 60.65 59.30 2kvv s ILE 5 Cb 0.14 -0.95 0.13 0.00 -1.06 0.00 0.00 42.46 40.72 2kvv s ILE 5 CO 0.00 0.10 0.99 0.12 -0.10 0.00 0.00 174.94 176.05 2kvv s PHE 6 N 1.81 -0.38 0.09 3.97 5.36 -1.26 -5.19 117.98 122.38 2kvv s PHE 6 Ca 0.02 0.64 -0.25 0.00 -0.96 0.00 0.00 56.93 56.38 2kvv s PHE 6 Cb -0.15 0.45 0.08 0.00 -0.34 0.00 0.00 43.02 43.07 2kvv s PHE 6 CO -0.07 -0.35 0.70 1.21 -1.46 0.00 0.00 175.22 175.25 2kvv s ASN 7 N -1.13 -0.51 -0.03 6.13 3.04 -1.26 -5.08 114.94 116.11 2kvv s ASN 7 Ca -0.02 0.04 0.19 0.00 0.04 0.00 0.00 52.86 53.11 2kvv s ASN 7 Cb -0.00 0.52 0.34 0.00 -1.54 0.00 0.00 41.25 40.57 2kvv s ASN 7 CO 0.02 -0.83 1.14 -1.84 -3.04 0.00 0.00 177.10 172.55 2kvv n GLU 8 N -0.25 0.24 -2.24 0.43 0.00 -1.26 -4.81 120.64 112.74 2kvv n GLU 8 Ca -0.14 -1.98 -0.39 0.00 0.00 0.00 0.00 57.16 54.64 2kvv n GLU 8 Cb 0.63 -0.35 -0.03 0.00 0.00 0.00 0.00 31.44 31.70 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 -0.50 2.86 -0.04 3.44 0.41 -1.26 -4.99 118.70 118.63 2kvv s GLU 9 Ca 0.28 0.20 -0.17 0.00 -0.41 0.00 0.00 54.97 54.86 2kvv s GLU 9 Cb 0.31 -4.38 -0.05 0.00 -1.78 0.00 0.00 34.13 28.23 2kvv s GLU 9 CO -0.12 -2.54 0.47 -1.58 -0.49 0.00 0.00 175.26 171.00 2kvv s TRP 10 N 7.77 3.65 -0.20 1.61 0.52 -1.26 -0.80 118.94 130.23 2kvv s TRP 10 Ca 0.55 1.00 -0.25 0.00 0.02 0.00 0.00 56.10 57.42 2kvv s TRP 10 Cb -0.10 -2.44 0.07 0.00 -1.15 0.00 0.00 33.47 29.85 2kvv s TRP 10 CO 0.16 0.43 0.67 0.00 0.02 0.00 0.00 176.95 178.24 2kvv s MET 11 N -0.36 0.84 0.96 4.98 0.23 -0.25 -4.94 119.30 120.76 2kvv s MET 11 Ca 0.26 0.76 -0.14 0.00 -1.03 0.00 0.00 55.69 55.54 2kvv s MET 11 Cb -0.17 0.41 0.17 0.00 -1.53 0.00 0.00 34.83 33.71 2kvv s MET 11 CO 0.13 -0.15 1.16 0.14 -2.03 0.00 0.00 175.02 174.28 2kvv s VAL 12 N -0.02 1.94 0.15 5.16 -7.23 -1.26 -0.07 120.40 119.07 2kvv s VAL 12 Ca -0.03 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.86 2kvv s VAL 12 Cb -0.04 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 2kvv s VAL 12 CO 0.03 0.00 1.57 -0.08 -0.31 0.00 0.00 175.10 176.31 2kvv h GLU 13 N -1.67 -0.33 -0.89 4.82 4.81 -1.97 0.28 114.58 119.62 2kvv h GLU 13 Ca -0.49 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 58.89 2kvv h GLU 13 Cb 1.31 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.70 2kvv h GLU 13 CO 0.54 -0.22 0.57 -0.22 -0.73 0.00 0.00 179.01 178.95 2kvv h LYS 14 N -0.35 0.73 0.01 1.92 3.11 -1.98 -1.03 116.57 118.98 2kvv h LYS 14 Ca 0.12 -0.04 -0.21 0.00 -2.81 0.00 0.00 60.65 57.71 2kvv h LYS 14 Cb 0.59 -0.17 0.02 0.00 -1.00 0.00 0.00 32.23 31.67 2kvv h LYS 14 CO -0.58 0.49 -0.81 0.00 -2.81 0.00 0.00 179.45 175.74 2kvv h ALA 15 N 1.59 0.08 -0.30 5.00 0.00 -1.59 -3.30 119.26 120.75 2kvv h ALA 15 Ca 0.44 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kvv h ALA 15 Cb 0.61 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2kvv h ALA 15 CO -0.20 0.50 0.13 1.25 0.00 0.00 0.00 179.25 180.93 2kvv h LEU 16 N 0.10 0.19 -1.58 0.00 7.12 0.41 -0.96 115.31 120.58 2kvv h LEU 16 Ca -0.10 0.02 0.04 0.00 0.13 0.00 0.00 57.88 57.96 2kvv h LEU 16 Cb 1.50 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.59 2kvv h LEU 16 CO 0.16 0.15 0.34 0.00 -0.13 0.00 0.00 178.44 178.95 2kvv h MET 17 N 0.29 0.52 -0.06 1.25 -0.00 -1.35 0.33 114.93 115.91 2kvv h MET 17 Ca 0.12 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 59.71 2kvv h MET 17 Cb 0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.54 2kvv h MET 17 CO -0.10 0.35 -0.30 0.28 -0.00 0.00 0.00 176.91 177.13 2kvv h VAL 18 N 0.54 1.44 0.00 -0.10 2.07 -1.45 0.96 116.25 119.71 2kvv h VAL 18 Ca 0.21 -1.74 -0.09 0.00 0.82 0.00 0.00 66.70 65.90 2kvv h VAL 18 Cb 0.15 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2kvv h VAL 18 CO -0.05 0.50 -0.43 0.03 0.02 0.00 0.00 177.57 177.63 2kvv h ARG 19 N -0.20 0.00 0.00 1.57 2.47 -0.72 -3.26 114.38 114.23 2kvv h ARG 19 Ca -0.02 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.33 2kvv h ARG 19 Cb 0.96 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.21 2kvv h ARG 19 CO 0.06 0.43 -2.39 0.25 0.56 0.00 0.00 179.97 178.88 2kvv n THR 20 N -3.97 1.39 0.00 2.04 -2.24 0.06 -5.01 114.28 106.57 2kvv n THR 20 Ca -0.02 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2kvv n THR 20 Cb 0.46 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.76 0.31 1.17 3.38 0.00 0.30 -5.07 105.19 107.03 2kvv n GLY 21 Ca -0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.08 0.99 4.32 -0.97 -4.96 117.00 112.30 2kvv n LEU 22 Ca 0.00 -0.41 -0.10 0.00 -0.02 0.00 0.00 56.01 55.47 2kvv n LEU 22 Cb 0.00 -0.32 -0.08 0.00 -1.62 0.00 0.00 43.42 41.40 2kvv n LEU 22 CO 0.00 -1.10 -0.03 -0.83 -1.22 0.00 0.00 177.39 174.21 2kvv s GLY 23 N -3.50 0.89 0.16 -0.72 0.00 -1.26 -4.56 107.32 98.33 2kvv s GLY 23 Ca 0.23 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.55 2kvv s GLY 23 CO 0.17 -0.98 1.66 0.00 0.00 0.00 0.00 173.10 173.95 2kvv h ALA 24 N 2.46 0.17 -0.45 3.20 0.00 -1.98 0.17 119.26 122.82 2kvv h ALA 24 Ca -0.31 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kvv h ALA 24 Cb 1.25 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2kvv h ALA 24 CO 0.45 -0.50 0.25 -0.09 0.00 0.00 0.00 179.25 179.35 2kvv h ARG 25 N -0.06 0.61 0.17 0.00 2.43 -2.00 -0.73 114.38 114.81 2kvv h ARG 25 Ca 0.17 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.98 2kvv h ARG 25 Cb 0.32 -0.13 0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2kvv h ARG 25 CO -0.39 0.46 -1.30 0.37 -1.51 0.00 0.00 179.97 177.60 2kvv h GLN 26 N 0.62 0.58 -0.37 0.20 4.15 -1.73 -3.21 115.11 115.35 2kvv h GLN 26 Ca 0.16 -0.85 -0.06 0.00 0.77 0.00 0.00 58.65 58.67 2kvv h GLN 26 Cb 0.02 0.30 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2kvv h GLN 26 CO -0.03 1.39 0.01 0.82 -1.93 0.00 0.00 178.83 179.10 2kvv h ILE 27 N 0.19 1.26 -0.86 2.39 2.04 -0.35 -2.50 117.51 119.68 2kvv h ILE 27 Ca -0.21 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 64.76 2kvv h ILE 27 Cb 1.98 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 39.16 2kvv h ILE 27 CO 0.25 0.32 0.56 1.05 0.00 0.00 0.00 178.15 180.33 2kvv h GLU 28 N 0.47 0.89 -0.06 2.37 4.11 -1.27 0.54 114.58 121.63 2kvv h GLU 28 Ca 0.11 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 2kvv h GLU 28 Cb 0.45 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kvv h GLU 28 CO 0.02 0.59 0.04 1.03 0.07 0.00 0.00 179.01 180.76 2kvv h SER 29 N 0.92 0.07 0.16 3.06 0.87 -1.49 -2.38 113.55 114.76 2kvv h SER 29 Ca 0.38 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2kvv h SER 29 Cb 0.29 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2kvv h SER 29 CO -0.15 0.09 -0.14 1.88 -0.53 0.00 0.00 176.83 177.98 2kvv h TYR 30 N 0.05 0.00 0.00 2.24 0.05 -0.91 -1.46 116.97 116.94 2kvv h TYR 30 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2kvv h TYR 30 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2kvv h TYR 30 CO -0.06 0.14 0.00 0.54 -1.05 0.00 0.00 178.16 177.73 2kvv n ARG 31 N -4.28 0.10 -0.05 4.88 1.74 0.10 -0.01 116.66 119.15 2kvv n ARG 31 Ca -0.03 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 2kvv n ARG 31 Cb 0.22 -1.69 0.46 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.87 1.63 0.04 5.56 6.02 -0.55 -4.68 117.38 123.53 2kvv n GLN 32 Ca 0.03 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 2kvv n GLN 32 Cb 0.19 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 1.12 -0.86 0.14 1.08 0.00 -0.92 -5.02 105.19 100.72 2kvv n GLY 33 Ca 0.17 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.08 -2.54 4.61 0.00 -0.72 -3.45 119.26 117.08 2kvv h ALA 34 Ca 0.00 -0.87 -0.53 0.00 0.00 0.00 0.00 54.91 53.51 2kvv h ALA 34 Cb 0.00 0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kvv h ALA 34 CO 0.00 0.78 0.64 -1.58 0.00 0.00 0.00 179.25 179.09 2kvv s TRP 35 N -2.62 3.34 -0.08 0.00 0.23 -0.43 -5.01 118.94 114.38 2kvv s TRP 35 Ca -0.08 1.15 0.01 0.00 -2.03 0.00 0.00 56.10 55.16 2kvv s TRP 35 Cb 0.05 -3.55 0.02 0.00 0.03 0.00 0.00 33.47 30.02 2kvv s TRP 35 CO 0.93 -1.79 -0.08 0.42 0.96 0.00 0.00 176.95 177.38 2kvv s ILE 36 N 0.93 0.93 0.57 2.03 1.01 -1.26 -4.91 121.20 120.50 2kvv s ILE 36 Ca 0.61 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.76 2kvv s ILE 36 Cb -0.33 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2kvv s ILE 36 CO 0.31 0.33 1.14 -0.70 0.00 0.00 0.00 174.94 176.01 2kvv s GLU 37 N 1.11 3.19 0.00 2.79 2.12 -1.26 -0.23 118.70 126.42 2kvv s GLU 37 Ca -0.07 1.61 0.00 0.00 0.36 0.00 0.00 54.97 56.87 2kvv s GLU 37 Cb -0.14 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.26 2kvv s GLU 37 CO -0.01 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 2kvv n GLY 38 N 0.10 1.34 0.04 -1.50 0.00 0.33 -4.66 105.19 100.84 2kvv n GLY 38 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 0.74 0.82 1.61 0.31 -1.15 -4.73 118.33 115.94 2kvv n VAL 39 Ca 0.00 0.33 0.12 0.00 -0.01 0.00 0.00 64.34 64.77 2kvv n VAL 39 Cb 0.00 -1.93 0.13 0.00 -0.91 0.00 0.00 33.84 31.13 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 -3.47 0.15 -3.79 3.52 8.25 0.68 -4.90 115.22 115.66 2kvv n HIS 40 Ca -0.06 0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2kvv n HIS 40 Cb 0.23 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 -3.08 -0.02 0.16 4.41 -0.71 -1.07 -0.70 117.98 116.97 2kvv s PHE 41 Ca 0.08 -0.24 -0.24 0.00 -1.04 0.00 0.00 56.93 55.50 2kvv s PHE 41 Cb 0.16 0.62 0.07 0.00 -1.21 0.00 0.00 43.02 42.67 2kvv s PHE 41 CO 0.75 -0.64 1.01 -1.59 -1.34 0.00 0.00 175.22 173.41 2kvv s LYS 42 N -2.55 1.23 -0.23 1.99 -2.85 -1.04 0.12 119.74 116.41 2kvv s LYS 42 Ca 0.18 -0.74 -0.24 0.00 -1.00 0.00 0.00 55.97 54.17 2kvv s LYS 42 Cb -0.00 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 2kvv s LYS 42 CO 0.01 -0.57 0.81 1.03 0.10 0.00 0.00 175.35 176.73 2kvv s ARG 43 N -2.71 4.20 0.09 1.78 0.52 -1.26 -2.08 118.95 119.49 2kvv s ARG 43 Ca 0.17 0.91 0.05 0.00 -0.52 0.00 0.00 55.73 56.34 2kvv s ARG 43 Cb -0.02 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2kvv s ARG 43 CO 0.04 -0.46 -0.00 0.08 0.02 0.00 0.00 175.30 174.97 2kvv s VAL 44 N 2.64 4.01 0.40 3.52 1.01 0.85 -4.93 120.40 127.91 2kvv s VAL 44 Ca 0.35 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 2kvv s VAL 44 Cb -0.16 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 2kvv s VAL 44 CO 0.08 0.12 1.37 -1.20 0.00 0.00 0.00 175.10 175.47 2kvv n SER 45 N 0.57 3.10 -4.77 3.32 7.64 -1.26 -1.00 113.62 121.22 2kvv n SER 45 Ca -0.11 1.16 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 2kvv n SER 45 Cb 0.52 -1.55 0.10 0.00 -1.01 0.00 0.00 64.21 62.27 2kvv n SER 45 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2kvv s PRO 46 N -2.17 1.89 -0.05 1.43 0.02 -1.26 -4.67 135.00 130.18 2kvv s PRO 46 Ca 0.58 0.81 -0.01 0.00 0.02 0.00 0.00 61.00 62.40 2kvv s PRO 46 Cb -0.50 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.14 2kvv s PRO 46 CO 0.60 -1.80 0.05 0.66 -0.33 0.00 0.00 177.00 176.18 2kvv h SER 47 N -1.23 -0.02 0.14 2.53 4.64 -1.99 -3.43 113.55 114.19 2kvv h SER 47 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2kvv h SER 47 Cb 1.26 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2kvv h SER 47 CO 0.56 0.26 -0.07 1.23 -0.87 0.00 0.00 176.83 177.94 2kvv h GLY 48 N -0.58 -0.20 -4.45 -0.77 0.00 -2.06 -3.47 103.07 91.54 2kvv h GLY 48 Ca -0.00 0.07 -0.52 0.00 0.00 0.00 0.00 47.33 46.88 2kvv h GLY 48 CO 0.00 -0.07 -0.82 -0.54 0.00 0.00 0.00 176.54 175.11 2kvv s GLU 49 N -2.31 1.12 -0.36 4.80 2.02 -1.26 -5.11 118.70 117.59 2kvv s GLU 49 Ca -0.05 -0.97 -0.28 0.00 0.02 0.00 0.00 54.97 53.70 2kvv s GLU 49 Cb 0.00 -1.24 0.02 0.00 0.10 0.00 0.00 34.13 33.00 2kvv s GLU 49 CO 0.16 0.30 1.03 0.15 0.02 0.00 0.00 175.26 176.92 2kvv s LYS 50 N -1.47 3.93 0.39 1.61 1.02 -1.26 -4.63 119.74 119.33 2kvv s LYS 50 Ca 0.04 0.81 0.08 0.00 0.02 0.00 0.00 55.97 56.92 2kvv s LYS 50 Cb -0.09 -3.79 -0.07 0.00 -0.52 0.00 0.00 37.83 33.36 2kvv s LYS 50 CO 0.02 -1.00 0.02 0.95 -0.92 0.00 0.00 175.35 174.43 2kvv s THR 51 N 3.72 2.14 -1.01 2.17 -4.23 -1.26 -5.02 115.64 112.15 2kvv s THR 51 Ca 0.43 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 59.25 2kvv s THR 51 Cb -0.11 -2.93 0.24 0.00 1.34 0.00 0.00 72.50 71.04 2kvv s THR 51 CO 0.19 -0.05 1.91 0.18 -0.54 0.00 0.00 174.62 176.31 2kvv n LEU 52 N -0.99 0.03 -0.04 4.79 7.99 -1.26 -3.85 117.00 123.66 2kvv n LEU 52 Ca -0.04 0.47 -0.20 0.00 -0.01 0.00 0.00 56.01 56.22 2kvv n LEU 52 Cb 0.66 -0.48 -0.13 0.00 -0.11 0.00 0.00 43.42 43.36 2kvv n LEU 52 CO 0.47 0.01 -0.28 0.03 -1.51 0.00 0.00 177.39 176.11 2kvv h ARG 53 N 0.00 0.11 0.00 3.23 2.47 -2.00 -3.51 114.38 114.69 2kvv h ARG 53 Ca 0.00 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2kvv h ARG 53 Cb 0.49 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2kvv h ARG 53 CO 0.00 1.09 0.00 0.41 0.56 0.00 0.00 179.97 182.03 2kvv n GLY 54 N 1.61 -1.25 2.93 0.04 0.00 -1.25 -4.81 105.19 102.47 2kvv n GLY 54 Ca -0.24 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 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 1.26 -0.35 2.61 2.01 -0.17 -4.87 115.64 116.13 2kvv s THR 55 Ca 0.00 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 2kvv s THR 55 Cb 0.00 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.16 2kvv s THR 55 CO 0.00 0.23 0.68 -0.89 -0.69 0.00 0.00 174.62 173.95 2kvv s THR 56 N 1.58 4.85 -0.16 -0.82 2.01 -1.26 -0.10 115.64 121.74 2kvv s THR 56 Ca 0.02 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 62.69 2kvv s THR 56 Cb -0.15 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2kvv s THR 56 CO -0.08 -0.31 0.09 0.26 -0.69 0.00 0.00 174.62 173.89 2kvv s TRP 57 N 2.80 3.37 0.01 4.92 0.52 -0.88 -4.50 118.94 125.17 2kvv s TRP 57 Ca 0.27 0.27 -0.09 0.00 0.02 0.00 0.00 56.10 56.57 2kvv s TRP 57 Cb -0.14 -2.03 -0.05 0.00 -1.15 0.00 0.00 33.47 30.09 2kvv s TRP 57 CO 0.15 0.37 0.30 0.71 0.02 0.00 0.00 176.95 178.50 2kvv s TYR 58 N -0.12 3.61 -0.58 -1.98 2.02 0.90 -2.51 117.35 118.69 2kvv s TYR 58 Ca 0.08 0.69 -0.27 0.00 -0.37 0.00 0.00 57.07 57.21 2kvv s TYR 58 Cb -0.12 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 2kvv s TYR 58 CO 0.01 0.61 1.11 -0.80 -1.57 0.00 0.00 175.55 174.91 2kvv s ASN 59 N -1.52 6.39 0.19 2.29 -0.87 0.12 -1.08 114.94 120.46 2kvv s ASN 59 Ca 0.26 -0.11 -0.12 0.00 -1.57 0.00 0.00 52.86 51.33 2kvv s ASN 59 Cb -0.14 -2.51 0.18 0.00 -0.02 0.00 0.00 41.25 38.76 2kvv s ASN 59 CO 0.14 -1.41 1.79 0.22 -2.57 0.00 0.00 177.10 175.27 2kvv h TYR 60 N 9.49 0.54 -0.91 2.20 3.20 -1.29 -2.45 116.97 127.76 2kvv h TYR 60 Ca -0.26 0.02 0.18 0.00 3.14 0.00 0.00 58.73 61.82 2kvv h TYR 60 Cb 1.06 -0.16 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 2kvv h TYR 60 CO 1.00 0.26 0.48 -1.00 -1.64 0.00 0.00 178.16 177.26 2kvv h PRO 61 N 0.56 0.58 -0.17 1.82 0.13 -1.88 0.37 132.00 133.41 2kvv h PRO 61 Ca 0.25 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 2kvv h PRO 61 Cb 0.16 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 2kvv h PRO 61 CO -0.17 0.39 0.01 0.93 -0.23 0.00 0.00 178.00 178.93 2kvv h GLU 62 N 0.60 0.30 -0.19 0.86 4.39 -1.81 0.10 114.58 118.83 2kvv h GLU 62 Ca 0.53 -0.09 -0.18 0.00 0.34 0.00 0.00 59.36 59.96 2kvv h GLU 62 Cb 0.85 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2kvv h GLU 62 CO -0.42 0.50 -0.60 0.82 -1.16 0.00 0.00 179.01 178.15 2kvv h ILE 63 N 0.06 1.31 -0.57 3.13 2.04 -1.12 -1.90 117.51 120.46 2kvv h ILE 63 Ca 0.05 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.04 2kvv h ILE 63 Cb 0.36 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2kvv h ILE 63 CO 0.01 0.58 0.26 -1.13 0.00 0.00 0.00 178.15 177.87 2kvv h ASN 64 N 0.48 0.76 -0.98 1.72 -0.73 -0.27 -0.33 115.58 116.23 2kvv h ASN 64 Ca -0.00 -0.14 0.10 0.00 1.87 0.00 0.00 56.30 58.13 2kvv h ASN 64 Cb 1.17 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 39.50 2kvv h ASN 64 CO 0.12 0.69 0.63 0.50 -0.37 0.00 0.00 177.43 178.99 2kvv h LYS 65 N 0.78 0.99 -0.10 6.67 3.64 -0.64 0.38 116.57 128.28 2kvv h LYS 65 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2kvv h LYS 65 Cb 0.14 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2kvv h LYS 65 CO -0.02 0.66 0.02 0.35 -2.27 0.00 0.00 179.45 178.18 2kvv h PHE 66 N 1.02 0.17 -0.54 1.91 3.57 -0.72 0.17 116.94 122.53 2kvv h PHE 66 Ca 0.46 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.98 2kvv h PHE 66 Cb 0.38 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2kvv h PHE 66 CO -0.00 0.36 0.29 0.82 -2.23 0.00 0.00 178.31 177.54 2kvv h ILE 67 N -0.07 0.97 0.52 1.41 2.04 -0.46 -0.58 117.51 121.35 2kvv h ILE 67 Ca 0.03 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2kvv h ILE 67 Cb 0.28 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2kvv h ILE 67 CO 0.00 0.10 -0.25 0.03 0.00 0.00 0.00 178.15 178.03 2kvv h ARG 68 N 0.55 -0.67 -0.82 2.37 3.08 -0.94 -2.48 114.38 115.46 2kvv h ARG 68 Ca 0.23 0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.37 2kvv h ARG 68 Cb 0.12 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2kvv h ARG 68 CO -0.15 -0.37 0.54 0.22 -1.07 0.00 0.00 179.97 179.14 2kvv h ASP 69 N -0.94 0.87 0.00 7.04 3.58 -0.83 0.64 116.42 126.78 2kvv h ASP 69 Ca -0.07 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2kvv h ASP 69 Cb 0.62 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kvv h ASP 69 CO 0.12 0.59 -0.07 0.77 -2.88 0.00 0.00 179.24 177.77 2kvv h SER 70 N 1.01 0.00 -0.06 2.28 4.64 -1.19 -3.41 113.55 116.82 2kvv h SER 70 Ca 0.33 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 2kvv h SER 70 Cb 0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2kvv h SER 70 CO -0.10 0.32 -0.56 0.25 -0.87 0.00 0.00 176.83 175.88 2kvv h LEU 71 N -0.58 0.59 -2.63 5.97 5.85 -1.52 -3.49 115.31 119.50 2kvv h LEU 71 Ca 0.00 -0.69 -0.10 0.00 0.84 0.00 0.00 57.88 57.93 2kvv h LEU 71 Cb 0.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2kvv h LEU 71 CO 0.00 1.20 -0.55 -0.62 -0.34 0.00 0.00 178.44 178.13 2kvv n GLU 72 N -4.21 -2.00 -2.55 1.25 -0.58 0.22 -4.93 120.64 107.83 2kvv n GLU 72 Ca -0.09 1.76 -0.42 0.00 -0.42 0.00 0.00 57.16 57.99 2kvv n GLU 72 Cb 0.64 -4.84 -0.02 0.00 -0.57 0.00 0.00 31.44 26.64 2kvv n GLU 72 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2kvv s HIS 73 N -2.54 2.55 -0.81 -0.32 -3.43 -1.26 -4.93 115.29 104.55 2kvv s HIS 73 Ca 0.20 0.43 -0.24 0.00 -0.80 0.00 0.00 55.06 54.64 2kvv s HIS 73 Cb -0.04 -4.50 -0.16 0.00 -1.43 0.00 0.00 32.58 26.45 2kvv s HIS 73 CO 0.79 -1.66 2.39 0.72 -2.00 0.00 0.00 174.74 174.98 2kvv n HIS 74 N 8.62 1.04 0.32 0.38 -0.00 -1.26 -4.76 115.22 119.56 2kvv n HIS 74 Ca 0.09 -0.02 0.15 0.00 -0.00 0.00 0.00 57.72 57.95 2kvv n HIS 74 Cb 0.49 -2.39 0.67 0.00 -0.00 0.00 0.00 29.99 28.75 2kvv n HIS 74 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kvv h HIS 75 N 12.51 0.00 0.00 4.41 6.17 -1.91 0.68 115.15 137.00 2kvv h HIS 75 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2kvv h HIS 75 Cb 1.01 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.94 2kvv h HIS 75 CO 1.19 0.00 0.00 0.72 0.71 0.00 0.00 177.93 180.55 2kvv n HIS 76 N -2.64 0.00 0.04 5.26 8.25 -1.26 -3.74 115.22 121.13 2kvv n HIS 76 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kvv n HIS 76 Cb 0.21 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2kvv n HIS 76 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kvv n HIS 77 N -1.19 -0.37 0.31 4.41 8.25 -0.19 -5.32 115.22 121.13 2kvv n HIS 77 Ca 0.08 0.06 0.04 0.00 -0.26 0.00 0.00 57.72 57.64 2kvv n HIS 77 Cb 0.09 0.14 0.03 0.00 1.12 0.00 0.00 29.99 31.37 2kvv n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56