#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr n GLN 2 N 0.00 0.71 0.17 0.54 6.02 -1.26 -2.64 117.38 120.92 2kvr n GLN 2 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 2kvr n GLN 2 Cb 0.00 -1.48 0.52 0.00 1.02 0.00 0.00 30.24 30.31 2kvr n GLN 2 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2kvr h GLN 3 N 0.00 0.15 -0.11 -1.09 3.07 -2.05 -0.88 115.11 114.20 2kvr h GLN 3 Ca 0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 58.65 58.52 2kvr h GLN 3 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2kvr h GLN 3 CO 0.00 0.18 -0.75 -0.07 0.09 0.00 0.00 178.83 178.28 2kvr h LEU 4 N 0.15 0.67 0.00 0.06 3.38 -1.95 -2.36 115.31 115.26 2kvr h LEU 4 Ca 0.04 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 2kvr h LEU 4 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kvr h LEU 4 CO 0.00 1.20 -0.71 1.62 0.09 0.00 0.00 178.44 180.65 2kvr h VAL 5 N 0.38 0.67 0.08 1.22 3.04 -1.76 -2.90 116.25 116.98 2kvr h VAL 5 Ca -0.04 -2.02 -0.00 0.00 -1.01 0.00 0.00 66.70 63.63 2kvr h VAL 5 Cb 1.35 2.25 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 2kvr h VAL 5 CO 0.14 0.38 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.97 2kvr h GLU 6 N 0.00 -0.10 -0.26 4.17 4.81 -1.08 -1.00 114.58 121.12 2kvr h GLU 6 Ca -0.04 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2kvr h GLU 6 Cb 1.38 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 2kvr h GLU 6 CO 0.05 0.17 -0.09 0.07 -0.73 0.00 0.00 179.01 178.48 2kvr h ARG 7 N -0.37 0.43 -0.80 1.92 -0.00 -1.56 -2.68 114.38 111.31 2kvr h ARG 7 Ca -0.01 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.98 59.84 2kvr h ARG 7 Cb 0.32 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.97 30.20 2kvr h ARG 7 CO 0.02 0.53 0.39 1.25 -0.00 0.00 0.00 179.97 182.16 2kvr h LEU 8 N 0.40 1.04 -0.32 0.08 6.46 -1.28 -0.64 115.31 121.05 2kvr h LEU 8 Ca 0.08 -0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 2kvr h LEU 8 Cb 0.41 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2kvr h LEU 8 CO 0.02 0.87 -0.06 1.56 -0.62 0.00 0.00 178.44 180.22 2kvr h GLN 9 N 1.14 0.60 0.00 1.25 4.20 -0.96 0.49 115.11 121.83 2kvr h GLN 9 Ca 0.28 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2kvr h GLN 9 Cb 0.10 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2kvr h GLN 9 CO -0.04 0.77 -0.06 1.49 -0.67 0.00 0.00 178.83 180.32 2kvr h GLU 10 N 0.39 0.00 0.00 1.46 4.81 -1.13 -2.73 114.58 117.38 2kvr h GLU 10 Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2kvr h GLU 10 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2kvr h GLU 10 CO 0.03 0.06 -0.44 0.93 -0.73 0.00 0.00 179.01 178.86 2kvr h GLU 11 N 0.00 0.00 0.00 1.92 5.08 -0.95 -3.41 114.58 117.23 2kvr h GLU 11 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kvr h GLU 11 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kvr h GLU 11 CO 0.01 0.52 0.00 1.57 -1.00 0.00 0.00 179.01 180.11 2kvr h LYS 12 N -1.00 0.00 -0.91 2.33 2.10 -0.71 -2.95 116.57 115.43 2kvr h LYS 12 Ca -0.09 0.00 0.26 0.00 -2.00 0.00 0.00 60.65 58.83 2kvr h LYS 12 Cb 0.71 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.01 2kvr h LYS 12 CO -0.05 0.00 0.86 0.07 -2.00 0.00 0.00 179.45 178.32 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 -0.00 -1.72 -1.07 114.38 111.66 2kvr h ARG 13 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 2kvr h ARG 13 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.21 2kvr h ARG 13 CO 0.00 0.00 -0.08 -0.84 -0.00 0.00 0.00 179.97 179.05 2kvr h ILE 14 N 0.00 0.32 0.00 0.08 -2.65 -1.85 -2.82 117.51 110.58 2kvr h ILE 14 Ca 0.43 -0.48 0.00 0.00 1.03 0.00 0.00 64.86 65.84 2kvr h ILE 14 Cb 2.14 1.36 0.00 0.00 -2.05 0.00 0.00 36.82 38.27 2kvr h ILE 14 CO -0.00 0.08 0.00 -0.33 0.03 0.00 0.00 178.15 177.92 2kvr h GLU 15 N 0.00 0.00 -0.09 0.16 5.08 -1.48 -0.76 114.58 117.49 2kvr h GLU 15 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2kvr h GLU 15 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kvr h GLU 15 CO 0.01 0.00 0.16 0.00 -1.00 0.00 0.00 179.01 178.18 2kvr h ALA 16 N 2.04 1.52 0.00 3.43 0.00 -1.72 -2.15 119.26 122.38 2kvr h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kvr h ALA 16 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kvr h ALA 16 CO 0.00 -0.21 -0.47 0.94 0.00 0.00 0.00 179.25 179.50 2kvr n GLN 17 N -3.48 2.07 -0.09 0.00 -0.06 -0.93 -4.66 117.38 110.24 2kvr n GLN 17 Ca -0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.85 2kvr n GLN 17 Cb 0.26 -0.74 -0.04 0.00 -4.06 0.00 0.00 30.24 25.66 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2kvr h LYS 18 N 0.00 0.89 -0.00 3.69 1.63 -1.19 -2.89 116.57 118.71 2kvr h LYS 18 Ca 0.00 -0.55 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 2kvr h LYS 18 Cb 0.41 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2kvr h LYS 18 CO 0.00 1.19 -0.34 -2.13 -3.45 0.00 0.00 179.45 174.72 2kvr n ARG 19 N -4.01 0.01 0.15 1.90 0.63 -0.81 -3.56 116.66 110.96 2kvr n ARG 19 Ca -0.04 -0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.75 2kvr n ARG 19 Cb 0.62 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.95 2kvr n ARG 19 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2kvr h LYS 20 N 0.02 -0.34 -4.39 -0.14 1.63 -1.55 -3.27 116.57 108.54 2kvr h LYS 20 Ca 0.00 0.02 -0.74 0.00 -0.85 0.00 0.00 60.65 59.08 2kvr h LYS 20 Cb 0.50 0.08 -0.17 0.00 -0.60 0.00 0.00 32.23 32.04 2kvr h LYS 20 CO 0.00 -0.08 1.60 -1.91 -3.45 0.00 0.00 179.45 175.60 2kvr n GLU 21 N -5.15 3.44 -3.77 1.90 2.13 -1.13 -4.93 120.64 113.13 2kvr n GLU 21 Ca -0.09 -3.73 -0.36 0.00 0.66 0.00 0.00 57.16 53.63 2kvr n GLU 21 Cb 0.22 -3.02 -0.11 0.00 0.27 0.00 0.00 31.44 28.80 2kvr n GLU 21 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2kvr s ARG 22 N 1.26 2.17 -0.02 5.31 3.52 -1.23 -4.91 118.95 125.05 2kvr s ARG 22 Ca 0.42 -2.09 -0.29 0.00 -0.13 0.00 0.00 55.73 53.64 2kvr s ARG 22 Cb 0.01 -3.61 0.10 0.00 -1.56 0.00 0.00 34.95 29.89 2kvr s ARG 22 CO 0.00 -1.10 0.99 -1.14 -0.81 0.00 0.00 175.30 173.24 2kvr s GLN 23 N 0.68 0.75 -0.53 5.12 2.00 -1.26 -5.11 119.66 121.32 2kvr s GLN 23 Ca 0.11 -0.32 -0.27 0.00 -2.00 0.00 0.00 55.36 52.89 2kvr s GLN 23 Cb -0.22 0.32 -0.03 0.00 0.80 0.00 0.00 33.01 33.88 2kvr s GLN 23 CO -0.04 -0.33 1.98 -1.83 -0.50 0.00 0.00 175.29 174.56 2kvr s GLU 24 N -2.97 2.65 0.00 1.67 -1.05 -1.26 -4.77 118.70 112.97 2kvr s GLU 24 Ca 0.08 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 55.85 2kvr s GLU 24 Cb -0.01 -4.40 0.00 0.00 -0.44 0.00 0.00 34.13 29.29 2kvr s GLU 24 CO -0.06 -2.69 0.00 0.00 0.95 0.00 0.00 175.26 173.46 2kvr n ALA 25 N 12.99 0.00 0.00 -0.84 0.00 -1.26 -5.01 120.51 126.39 2kvr n ALA 25 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2kvr n ALA 25 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kvr n ALA 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kvr n HIS 26 N 0.00 0.00 1.77 0.00 1.44 -1.26 -2.28 115.22 114.89 2kvr n HIS 26 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 2kvr n HIS 26 Cb 0.00 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.31 2kvr n HIS 26 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kvr n LEU 27 N -0.83 0.00 -0.84 2.39 7.99 -1.26 -4.51 117.00 119.94 2kvr n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2kvr n LEU 27 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2kvr n LEU 27 CO 0.00 0.00 0.00 -1.22 -1.51 0.00 0.00 177.39 174.66 2kvr n TYR 28 N -0.62 0.00 -1.26 -1.77 4.01 -0.97 -1.89 117.16 114.66 2kvr n TYR 28 Ca 0.05 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.30 2kvr n TYR 28 Cb 0.02 -0.06 -0.07 0.00 -0.31 0.00 0.00 39.34 38.93 2kvr n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kvr n MET 29 N 0.77 0.00 -2.92 -0.72 0.00 0.11 -2.93 117.12 111.43 2kvr n MET 29 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 2kvr n MET 29 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 33.22 31.98 2kvr n MET 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2kvr s GLN 30 N 0.78 4.42 -0.21 3.17 -0.21 -1.26 -1.52 119.66 124.83 2kvr s GLN 30 Ca 0.76 1.04 -0.02 0.00 0.02 0.00 0.00 55.36 57.16 2kvr s GLN 30 Cb -1.07 -3.49 0.01 0.00 1.00 0.00 0.00 33.01 29.45 2kvr s GLN 30 CO 0.52 -0.09 -0.10 0.54 -2.12 0.00 0.00 175.29 174.04 2kvr s VAL 31 N 1.30 2.86 -0.64 1.09 0.11 -0.63 -1.47 120.40 123.02 2kvr s VAL 31 Ca 0.41 -0.73 -0.26 0.00 -2.93 0.00 0.00 61.98 58.47 2kvr s VAL 31 Cb -0.18 -2.30 0.04 0.00 -1.53 0.00 0.00 36.38 32.41 2kvr s VAL 31 CO 0.18 0.43 1.13 -1.10 -3.33 0.00 0.00 175.10 172.41 2kvr s GLN 32 N 1.39 3.31 -0.09 1.54 -0.21 0.10 -2.68 119.66 123.02 2kvr s GLN 32 Ca 0.05 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.20 2kvr s GLN 32 Cb -0.14 -4.11 -0.04 0.00 1.00 0.00 0.00 33.01 29.72 2kvr s GLN 32 CO -0.07 -1.81 0.08 0.42 -2.12 0.00 0.00 175.29 171.79 2kvr s ILE 33 N 4.85 4.94 -0.00 1.08 -1.09 -0.52 -1.54 121.20 128.92 2kvr s ILE 33 Ca 0.34 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 2kvr s ILE 33 Cb -0.10 -3.15 -0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2kvr s ILE 33 CO 0.18 0.57 -0.06 0.68 -1.23 0.00 0.00 174.94 175.08 2kvr s VAL 34 N -1.00 0.47 0.19 2.92 -7.23 -1.23 -1.25 120.40 113.27 2kvr s VAL 34 Ca 0.16 -0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.93 2kvr s VAL 34 Cb -0.12 -0.40 0.01 0.00 0.56 0.00 0.00 36.38 36.43 2kvr s VAL 34 CO 0.05 0.13 0.43 0.00 -0.31 0.00 0.00 175.10 175.40 2kvr s ALA 35 N -0.15 -0.46 -0.30 1.32 0.00 -1.26 -1.64 121.76 119.27 2kvr s ALA 35 Ca 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2kvr s ALA 35 Cb -0.02 0.89 0.11 0.00 0.00 0.00 0.00 23.12 24.10 2kvr s ALA 35 CO -0.00 -0.76 0.14 -2.00 0.00 0.00 0.00 175.76 173.14 2kvr s GLU 36 N -3.94 0.32 0.00 0.00 2.12 -1.24 -4.38 118.70 111.59 2kvr s GLU 36 Ca 0.15 -0.73 0.26 0.00 0.36 0.00 0.00 54.97 55.01 2kvr s GLU 36 Cb 0.01 -1.29 0.69 0.00 0.26 0.00 0.00 34.13 33.79 2kvr s GLU 36 CO 0.01 -1.05 1.52 -3.47 -0.54 0.00 0.00 175.26 171.73 2kvr n ASP 37 N 5.01 0.85 0.18 -1.70 2.03 -0.63 -4.39 116.55 117.91 2kvr n ASP 37 Ca -0.03 -0.69 -0.15 0.00 0.52 0.00 0.00 54.79 54.45 2kvr n ASP 37 Cb 0.41 0.17 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 2kvr n ASP 37 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2kvr h GLN 38 N 0.82 -0.41 -0.42 -0.67 4.15 -1.92 0.23 115.11 116.89 2kvr h GLN 38 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2kvr h GLN 38 Cb 0.50 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2kvr h GLN 38 CO 0.00 -0.21 0.00 1.19 -1.93 0.00 0.00 178.83 177.88 2kvr n PHE 39 N -5.23 0.40 0.00 3.99 3.01 -1.26 -2.08 117.46 116.28 2kvr n PHE 39 Ca -0.10 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.19 2kvr n PHE 39 Cb 0.21 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 2kvr n PHE 39 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kvr n GLY 41 N 3.00 -0.04 0.17 0.00 0.00 0.78 -4.81 105.19 104.29 2kvr n GLY 41 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2kvr n GLY 41 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kvr h HIS 42 N 0.00 -0.31 0.00 1.61 -0.00 -1.66 -3.47 115.15 111.32 2kvr h HIS 42 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2kvr h HIS 42 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 2kvr h HIS 42 CO 0.00 -0.03 0.00 0.94 -0.00 0.00 0.00 177.93 178.84 2kvr n GLN 43 N -4.99 0.00 -1.50 5.26 7.27 -0.89 -4.83 117.38 117.70 2kvr n GLN 43 Ca -0.06 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.61 2kvr n GLN 43 Cb 0.21 -0.07 -0.02 0.00 2.41 0.00 0.00 30.24 32.77 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kvr n GLY 44 N 0.00 4.40 3.64 1.69 0.00 -1.26 -4.94 105.19 108.71 2kvr n GLY 44 Ca 0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 2kvr n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kvr s ASN 45 N 2.18 4.96 0.00 1.61 -0.87 -1.26 -4.92 114.94 116.63 2kvr s ASN 45 Ca 0.62 0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.97 2kvr s ASN 45 Cb 0.17 -1.32 0.00 0.00 -0.02 0.00 0.00 41.25 40.08 2kvr s ASN 45 CO -0.07 0.37 0.00 -0.67 -2.57 0.00 0.00 177.10 174.16 2kvr n ASP 46 N 2.13 0.00 -4.18 -1.22 2.03 -1.26 -5.10 116.55 108.95 2kvr n ASP 46 Ca -0.18 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.73 2kvr n ASP 46 Cb 0.53 0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.89 2kvr n ASP 46 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2kvr s MET 47 N -1.10 2.90 -0.75 -0.67 -1.94 -1.26 -4.74 119.30 111.73 2kvr s MET 47 Ca 0.00 -2.47 -0.03 0.00 -1.71 0.00 0.00 55.69 51.48 2kvr s MET 47 Cb 0.00 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.88 2kvr s MET 47 CO 0.00 -1.21 0.64 0.98 -0.01 0.00 0.00 175.02 175.42 2kvr n TYR 48 N 3.72 -2.50 -2.68 -0.03 4.19 -1.26 -4.86 117.16 113.74 2kvr n TYR 48 Ca 0.09 0.99 -0.42 0.00 3.31 0.00 0.00 57.90 61.87 2kvr n TYR 48 Cb 0.41 -3.26 -0.03 0.00 0.49 0.00 0.00 39.34 36.95 2kvr n TYR 48 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2kvr s ASP 49 N -2.88 6.38 0.00 2.98 1.01 -1.26 -4.86 116.67 118.04 2kvr s ASP 49 Ca 0.04 -0.14 0.19 0.00 0.71 0.00 0.00 52.55 53.35 2kvr s ASP 49 Cb -0.01 -2.51 1.12 0.00 1.01 0.00 0.00 42.92 42.53 2kvr s ASP 49 CO 0.84 -1.42 1.57 -0.62 0.21 0.00 0.00 175.17 175.75 2kvr n GLU 50 N 8.14 0.52 0.09 8.23 1.02 -1.26 0.13 120.64 137.51 2kvr n GLU 50 Ca 0.05 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 2kvr n GLU 50 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.28 2kvr n GLU 50 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kvr h GLU 51 N 0.00 0.17 -0.08 3.49 3.07 -1.92 -3.39 114.58 115.92 2kvr h GLU 51 Ca 0.00 -0.28 -0.16 0.00 -0.50 0.00 0.00 59.36 58.42 2kvr h GLU 51 Cb 0.05 0.10 -0.31 0.00 -0.84 0.00 0.00 28.75 27.75 2kvr h GLU 51 CO 0.00 1.12 -0.92 1.17 -1.40 0.00 0.00 179.01 178.98 2kvr n LYS 52 N -3.48 0.68 -1.51 2.33 3.00 -0.24 -1.60 118.16 117.34 2kvr n LYS 52 Ca -0.05 -2.54 -0.32 0.00 -0.00 0.00 0.00 58.31 55.40 2kvr n LYS 52 Cb 0.98 -0.62 0.07 0.00 0.00 0.00 0.00 35.03 35.46 2kvr n LYS 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2kvr s VAL 53 N -1.31 3.11 0.00 3.15 -7.23 0.12 -4.88 120.40 113.36 2kvr s VAL 53 Ca 0.35 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 2kvr s VAL 53 Cb 0.38 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2kvr s VAL 53 CO -0.13 -0.37 0.00 0.29 -0.31 0.00 0.00 175.10 174.58 2kvr n LYS 54 N -2.88 1.76 -1.55 4.82 4.01 -1.26 -4.59 118.16 118.48 2kvr n LYS 54 Ca 0.10 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.69 2kvr n LYS 54 Cb 0.52 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.95 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2kvr n TYR 55 N -0.04 1.02 -2.79 2.13 4.01 -1.26 -4.67 117.16 115.56 2kvr n TYR 55 Ca 0.00 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2kvr n TYR 55 Cb 0.00 -2.30 -0.03 0.00 -0.31 0.00 0.00 39.34 36.70 2kvr n TYR 55 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2kvr s THR 56 N 11.79 4.89 -0.45 -0.72 -1.32 -0.38 -4.78 115.64 124.67 2kvr s THR 56 Ca 1.02 1.89 -0.14 0.00 -1.21 0.00 0.00 61.69 63.26 2kvr s THR 56 Cb -0.31 -4.24 0.06 0.00 -1.51 0.00 0.00 72.50 66.50 2kvr s THR 56 CO 0.22 0.14 0.34 0.54 -2.21 0.00 0.00 174.62 173.65 2kvr s VAL 57 N 1.23 5.02 -0.24 5.08 0.11 -1.26 -1.44 120.40 128.90 2kvr s VAL 57 Ca 0.47 -1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 2kvr s VAL 57 Cb -0.19 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2kvr s VAL 57 CO 0.23 -0.49 0.05 -0.36 -3.33 0.00 0.00 175.10 171.20 2kvr s PHE 58 N 1.61 3.07 -0.25 1.54 0.08 -1.09 -4.91 117.98 118.03 2kvr s PHE 58 Ca 0.04 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 2kvr s PHE 58 Cb -0.23 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2kvr s PHE 58 CO 0.06 -0.37 1.10 -1.59 -0.10 0.00 0.00 175.22 174.32 2kvr s LYS 59 N 1.55 4.19 0.05 0.44 0.00 -1.26 -1.60 119.74 123.11 2kvr s LYS 59 Ca 0.06 1.33 0.01 0.00 0.00 0.00 0.00 55.97 57.37 2kvr s LYS 59 Cb -0.15 -3.69 -0.03 0.00 0.00 0.00 0.00 37.83 33.96 2kvr s LYS 59 CO 0.03 -0.73 -0.06 0.14 0.00 0.00 0.00 175.35 174.72 2kvr s VAL 60 N 3.42 0.43 -0.50 1.79 -7.23 -0.57 -4.91 120.40 112.83 2kvr s VAL 60 Ca 0.47 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 2kvr s VAL 60 Cb -0.15 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2kvr s VAL 60 CO 0.10 -0.58 1.23 -0.76 -0.31 0.00 0.00 175.10 174.78 2kvr s LEU 61 N -2.01 3.56 0.39 1.32 1.43 -1.25 -0.71 118.68 121.40 2kvr s LEU 61 Ca -0.05 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 53.59 2kvr s LEU 61 Cb -0.05 -3.41 0.89 0.00 0.03 0.00 0.00 46.19 43.66 2kvr s LEU 61 CO -0.02 -1.39 1.92 0.07 0.23 0.00 0.00 176.35 177.16 2kvr h LYS 62 N 9.77 0.57 -0.00 1.70 2.10 -1.72 -1.91 116.57 127.08 2kvr h LYS 62 Ca -0.25 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2kvr h LYS 62 Cb 1.07 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2kvr h LYS 62 CO 1.14 0.38 -0.05 0.27 -2.00 0.00 0.00 179.45 179.18 2kvr n ASN 63 N -4.50 0.30 -4.99 7.07 6.94 -1.26 -2.20 115.26 116.61 2kvr n ASN 63 Ca 0.14 -0.56 -0.19 0.00 -0.02 0.00 0.00 54.58 53.94 2kvr n ASN 63 Cb 0.40 -0.12 -0.00 0.00 -2.36 0.00 0.00 39.78 37.70 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2kvr s SER 64 N -2.40 5.93 0.65 0.53 0.15 -0.72 -4.84 113.70 113.01 2kvr s SER 64 Ca 0.32 -0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.61 2kvr s SER 64 Cb 0.20 -1.17 -0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2kvr s SER 64 CO 0.45 -0.48 1.18 -0.44 1.20 0.00 0.00 173.24 175.14 2kvr s SER 65 N -4.20 4.85 0.31 5.45 0.01 -1.26 -2.83 113.70 116.04 2kvr s SER 65 Ca 0.46 2.26 0.08 0.00 1.31 0.00 0.00 55.95 60.06 2kvr s SER 65 Cb -0.10 -2.58 0.50 0.00 0.21 0.00 0.00 66.02 64.05 2kvr s SER 65 CO 0.32 -1.81 1.72 0.25 0.41 0.00 0.00 173.24 174.13 2kvr h LEU 66 N 0.28 0.20 -2.28 2.44 7.12 -1.26 -2.51 115.31 119.30 2kvr h LEU 66 Ca -0.48 -0.08 0.02 0.00 0.13 0.00 0.00 57.88 57.46 2kvr h LEU 66 Cb 1.28 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.35 2kvr h LEU 66 CO 0.53 0.59 0.05 0.00 -0.13 0.00 0.00 178.44 179.48 2kvr h ALA 67 N 1.42 1.74 -0.02 1.25 0.00 -1.81 -0.63 119.26 121.22 2kvr h ALA 67 Ca 0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 2kvr h ALA 67 Cb 0.79 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2kvr h ALA 67 CO 0.06 -0.08 -0.96 0.93 0.00 0.00 0.00 179.25 179.20 2kvr h GLU 68 N 0.00 0.59 -0.55 0.00 4.39 -1.83 -1.77 114.58 115.42 2kvr h GLU 68 Ca 0.03 -0.61 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 2kvr h GLU 68 Cb 0.13 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2kvr h GLU 68 CO -0.00 1.22 0.16 0.35 -1.16 0.00 0.00 179.01 179.58 2kvr h PHE 69 N 0.35 0.91 -0.20 4.33 3.57 -1.30 -2.69 116.94 121.90 2kvr h PHE 69 Ca -0.10 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 2kvr h PHE 69 Cb 1.60 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2kvr h PHE 69 CO 0.08 0.77 0.00 0.28 -2.23 0.00 0.00 178.31 177.22 2kvr h VAL 70 N 0.78 1.25 -0.55 1.41 2.07 -1.15 -1.50 116.25 118.57 2kvr h VAL 70 Ca 0.18 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2kvr h VAL 70 Cb 0.30 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2kvr h VAL 70 CO -0.00 0.26 0.16 0.06 0.02 0.00 0.00 177.57 178.07 2kvr h GLN 71 N 0.11 0.83 -0.25 1.57 3.07 -1.36 0.73 115.11 119.80 2kvr h GLN 71 Ca 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 2kvr h GLN 71 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.81 2kvr h GLN 71 CO 0.01 0.72 0.10 0.77 0.09 0.00 0.00 178.83 180.52 2kvr h SER 72 N 0.80 0.35 0.76 0.06 0.02 -1.37 -2.48 113.55 111.69 2kvr h SER 72 Ca 0.18 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2kvr h SER 72 Cb 0.25 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2kvr h SER 72 CO -0.01 0.42 -0.26 0.25 -1.14 0.00 0.00 176.83 176.09 2kvr h LEU 73 N 0.26 0.00 -0.48 5.07 6.46 -0.85 -2.39 115.31 123.38 2kvr h LEU 73 Ca 0.08 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.68 2kvr h LEU 73 Cb 0.18 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2kvr h LEU 73 CO -0.01 0.26 -0.50 -1.28 -0.62 0.00 0.00 178.44 176.29 2kvr h SER 74 N 0.00 0.75 -0.05 1.25 0.87 -0.65 -2.85 113.55 112.87 2kvr h SER 74 Ca -0.00 -0.38 -0.13 0.00 -1.23 0.00 0.00 61.79 60.05 2kvr h SER 74 Cb 0.71 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2kvr h SER 74 CO 0.03 1.12 -0.48 1.56 -0.53 0.00 0.00 176.83 178.53 2kvr h GLN 75 N 0.54 0.41 -0.44 2.24 1.08 -1.08 -1.24 115.11 116.61 2kvr h GLN 75 Ca 0.02 -0.37 -0.12 0.00 -1.45 0.00 0.00 58.65 56.73 2kvr h GLN 75 Cb 1.06 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.56 2kvr h GLN 75 CO 0.10 1.03 -0.21 0.00 -0.95 0.00 0.00 178.83 178.80 2kvr h THR 76 N -0.08 1.27 0.00 -0.54 1.03 -1.50 -3.25 112.91 109.84 2kvr h THR 76 Ca -0.05 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 2kvr h THR 76 Cb 1.16 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 2kvr h THR 76 CO 0.10 0.46 -1.63 0.23 -0.01 0.00 0.00 175.52 174.67 2kvr n MET 77 N -4.11 0.62 -1.02 0.00 2.81 -1.08 -4.99 117.12 109.35 2kvr n MET 77 Ca 0.00 -0.13 -0.01 0.00 -1.81 0.00 0.00 57.70 55.75 2kvr n MET 77 Cb 0.44 -1.45 -0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2kvr n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kvr n GLY 78 N 1.40 0.49 3.76 3.03 0.00 -0.48 -5.04 105.19 108.35 2kvr n GLY 78 Ca -0.02 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2kvr n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvr s PHE 79 N -1.97 3.87 0.12 1.61 0.40 -1.17 -5.01 117.98 115.84 2kvr s PHE 79 Ca 0.00 1.64 -0.31 0.00 -0.60 0.00 0.00 56.93 57.66 2kvr s PHE 79 Cb 0.00 -2.82 -0.10 0.00 0.51 0.00 0.00 43.02 40.61 2kvr s PHE 79 CO 0.00 0.44 1.86 -1.25 0.70 0.00 0.00 175.22 176.96 2kvr s PRO 80 N -0.82 4.13 0.28 0.24 0.04 -1.26 -4.36 135.00 133.25 2kvr s PRO 80 Ca 0.38 2.62 -0.03 0.00 0.04 0.00 0.00 61.00 64.00 2kvr s PRO 80 Cb -0.23 -3.65 0.39 0.00 0.04 0.00 0.00 34.50 31.06 2kvr s PRO 80 CO 0.26 -0.86 1.95 -0.56 0.04 0.00 0.00 177.00 177.83 2kvr h GLN 81 N 8.82 1.15 0.00 4.56 3.07 -1.90 -1.16 115.11 129.66 2kvr h GLN 81 Ca -0.47 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 58.16 2kvr h GLN 81 Cb 1.22 -0.26 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 2kvr h GLN 81 CO 0.95 0.76 -0.19 0.22 0.09 0.00 0.00 178.83 180.66 2kvr h ASP 82 N 1.19 0.00 -0.41 0.06 3.58 -1.96 -2.93 116.42 115.95 2kvr h ASP 82 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2kvr h ASP 82 Cb -0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2kvr h ASP 82 CO -0.08 0.19 0.00 1.67 -2.88 0.00 0.00 179.24 178.15 2kvr n GLN 83 N -4.16 3.01 -2.20 0.28 7.27 -0.57 -4.97 117.38 116.04 2kvr n GLN 83 Ca -0.02 -2.41 -0.42 0.00 0.07 0.00 0.00 57.00 54.21 2kvr n GLN 83 Cb 0.26 -1.52 -0.03 0.00 2.41 0.00 0.00 30.24 31.36 2kvr n GLN 83 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2kvr s ILE 84 N -1.55 3.85 -0.11 1.69 1.01 -0.54 -4.39 121.20 121.15 2kvr s ILE 84 Ca 0.34 1.08 -0.03 0.00 0.00 0.00 0.00 60.65 62.04 2kvr s ILE 84 Cb 0.21 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kvr s ILE 84 CO 0.17 -0.08 0.01 -0.13 0.00 0.00 0.00 174.94 174.91 2kvr s ARG 85 N 3.52 3.24 -0.16 2.79 3.00 -0.65 -5.01 118.95 125.68 2kvr s ARG 85 Ca 0.65 -0.41 -0.00 0.00 0.00 0.00 0.00 55.73 55.97 2kvr s ARG 85 Cb -0.29 -2.88 -0.00 0.00 0.00 0.00 0.00 34.95 31.78 2kvr s ARG 85 CO 0.24 0.57 -0.14 -0.51 0.00 0.00 0.00 175.30 175.46 2kvr s LEU 86 N -0.51 2.52 -0.24 2.53 1.02 -1.26 -1.71 118.68 121.03 2kvr s LEU 86 Ca 0.09 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.79 2kvr s LEU 86 Cb -0.12 -1.58 0.06 0.00 0.02 0.00 0.00 46.19 44.57 2kvr s LEU 86 CO 0.02 0.07 -0.06 0.26 0.02 0.00 0.00 176.35 176.66 2kvr s TRP 87 N 0.89 2.56 0.81 0.29 0.52 -0.74 -1.44 118.94 121.83 2kvr s TRP 87 Ca -0.04 -1.86 -0.11 0.00 0.02 0.00 0.00 56.10 54.11 2kvr s TRP 87 Cb -0.15 -1.65 0.08 0.00 -1.15 0.00 0.00 33.47 30.60 2kvr s TRP 87 CO -0.01 -0.79 1.09 -1.25 0.02 0.00 0.00 176.95 176.01 2kvr s PRO 88 N 1.34 1.98 -0.99 4.98 0.04 -1.26 -0.67 135.00 140.41 2kvr s PRO 88 Ca -0.06 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 2kvr s PRO 88 Cb -0.19 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2kvr s PRO 88 CO -0.06 -1.81 2.19 0.00 0.04 0.00 0.00 177.00 177.36 2kvr n MET 89 N -3.63 2.24 -2.58 4.56 0.00 -1.01 -4.79 117.12 111.90 2kvr n MET 89 Ca 0.08 -1.55 -0.43 0.00 0.00 0.00 0.00 57.70 55.81 2kvr n MET 89 Cb 0.54 -2.50 -0.02 0.00 0.00 0.00 0.00 33.22 31.23 2kvr n MET 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kvr s GLN 90 N 3.32 4.06 -1.15 3.17 0.74 -1.26 -4.93 119.66 123.61 2kvr s GLN 90 Ca 0.43 1.17 -0.23 0.00 0.05 0.00 0.00 55.36 56.78 2kvr s GLN 90 Cb 0.11 -3.76 -0.09 0.00 1.10 0.00 0.00 33.01 30.37 2kvr s GLN 90 CO -0.03 -0.91 1.94 0.00 -0.55 0.00 0.00 175.29 175.74 2kvr s ALA 91 N 3.75 1.75 -0.50 1.58 0.00 -1.26 -4.84 121.76 122.24 2kvr s ALA 91 Ca 0.48 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 50.40 2kvr s ALA 91 Cb -0.14 -4.67 0.13 0.00 0.00 0.00 0.00 23.12 18.45 2kvr s ALA 91 CO 0.16 -5.24 0.26 1.03 0.00 0.00 0.00 175.76 171.97 2kvr s ARG 92 N 6.58 1.76 0.00 0.00 1.81 -1.26 -5.11 118.95 122.73 2kvr s ARG 92 Ca 0.69 -2.44 0.00 0.00 -1.72 0.00 0.00 55.73 52.26 2kvr s ARG 92 Cb -0.01 -2.99 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 2kvr s ARG 92 CO 0.12 -1.13 0.00 -1.13 -0.68 0.00 0.00 175.30 172.48 2kvr n SER 93 N 3.22 -0.14 -4.49 0.23 3.41 -1.26 -4.92 113.62 109.67 2kvr n SER 93 Ca 0.07 -0.54 -0.50 0.00 -0.26 0.00 0.00 58.87 57.64 2kvr n SER 93 Cb 0.33 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 2kvr n SER 93 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kvr n ASN 94 N -1.84 2.38 0.00 4.04 5.15 -1.26 -4.86 115.26 118.87 2kvr n ASN 94 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 2kvr n ASN 94 Cb 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 2kvr n ASN 94 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kvr n GLY 95 N 6.26 2.09 3.56 8.20 0.00 -1.26 -5.11 105.19 118.93 2kvr n GLY 95 Ca 0.38 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 2kvr n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvr s THR 96 N -0.28 3.29 0.02 2.61 2.01 -1.26 -4.91 115.64 117.12 2kvr s THR 96 Ca 0.00 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.99 2kvr s THR 96 Cb 0.00 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.93 2kvr s THR 96 CO 0.00 -0.56 0.52 -0.75 -0.69 0.00 0.00 174.62 173.14 2kvr s LYS 97 N 6.95 0.99 -0.55 4.92 2.20 -1.26 -5.13 119.74 127.86 2kvr s LYS 97 Ca 0.78 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 56.13 2kvr s LYS 97 Cb -0.17 0.45 0.14 0.00 -1.51 0.00 0.00 37.83 36.75 2kvr s LYS 97 CO 0.25 -0.34 0.45 1.03 -0.36 0.00 0.00 175.35 176.38 2kvr s ARG 98 N -2.09 2.77 0.19 4.03 0.52 -1.26 -5.09 118.95 118.02 2kvr s ARG 98 Ca -0.07 -1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 52.94 2kvr s ARG 98 Cb -0.01 -4.08 -0.08 0.00 0.52 0.00 0.00 34.95 31.30 2kvr s ARG 98 CO 0.01 -1.24 1.15 -1.25 0.02 0.00 0.00 175.30 173.99 2kvr s PRO 99 N 1.17 4.54 0.28 3.54 0.04 -1.26 -5.06 135.00 138.25 2kvr s PRO 99 Ca 0.07 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.00 2kvr s PRO 99 Cb -0.25 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 2kvr s PRO 99 CO -0.01 -0.00 0.14 0.00 0.04 0.00 0.00 177.00 177.17 2kvr s ALA 100 N -0.22 3.48 0.98 8.56 0.00 -1.26 -5.14 121.76 128.16 2kvr s ALA 100 Ca 0.51 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 2kvr s ALA 100 Cb -0.31 -1.05 0.19 0.00 0.00 0.00 0.00 23.12 21.95 2kvr s ALA 100 CO 0.36 0.19 1.21 0.00 0.00 0.00 0.00 175.76 177.53 2kvr s MET 101 N -3.81 0.55 0.09 0.00 0.23 -1.26 -4.72 119.30 110.37 2kvr s MET 101 Ca 0.34 -0.08 -0.31 0.00 -1.03 0.00 0.00 55.69 54.61 2kvr s MET 101 Cb -0.06 -1.80 -0.06 0.00 -1.53 0.00 0.00 34.83 31.37 2kvr s MET 101 CO 0.23 -2.53 1.24 -0.51 -2.03 0.00 0.00 175.02 171.43 2kvr s LEU 102 N -6.11 4.38 0.11 0.18 2.01 -0.52 -4.97 118.68 113.76 2kvr s LEU 102 Ca 0.69 2.12 -0.31 0.00 0.01 0.00 0.00 54.13 56.64 2kvr s LEU 102 Cb -0.09 -3.58 -0.09 0.00 0.01 0.00 0.00 46.19 42.43 2kvr s LEU 102 CO 0.53 -0.50 1.71 -0.62 1.01 0.00 0.00 176.35 178.48 2kvr s ASP 103 N 0.95 6.52 0.51 2.29 2.15 -1.26 -4.74 116.67 123.10 2kvr s ASP 103 Ca 0.59 2.62 0.30 0.00 0.43 0.00 0.00 52.55 56.49 2kvr s ASP 103 Cb -0.32 -2.57 1.13 0.00 -0.30 0.00 0.00 42.92 40.86 2kvr s ASP 103 CO 0.30 -0.92 1.90 0.78 -0.17 0.00 0.00 175.17 177.06 2kvr h ASN 104 N 8.12 0.00 1.19 -0.34 -0.26 -1.97 0.16 115.58 122.47 2kvr h ASN 104 Ca -0.44 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.14 2kvr h ASN 104 Cb 1.21 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.44 2kvr h ASN 104 CO 0.94 0.06 -0.78 -0.08 -1.06 0.00 0.00 177.43 176.50 2kvr h GLU 105 N 0.00 0.00 0.00 0.81 4.81 -1.98 -3.30 114.58 114.92 2kvr h GLU 105 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kvr h GLU 105 Cb 0.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2kvr h GLU 105 CO 0.01 0.78 -0.08 0.00 -0.73 0.00 0.00 179.01 178.99 2kvr h ALA 106 N 1.22 0.01 -0.06 2.92 0.00 -1.61 -3.41 119.26 118.32 2kvr h ALA 106 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2kvr h ALA 106 Cb 1.58 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2kvr h ALA 106 CO 0.10 0.06 -0.07 0.38 0.00 0.00 0.00 179.25 179.72 2kvr h ASP 107 N -1.00 0.18 0.00 0.00 3.04 -0.90 -3.10 116.42 114.64 2kvr h ASP 107 Ca -0.01 -0.50 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2kvr h ASP 107 Cb 0.25 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 2kvr h ASP 107 CO -0.01 0.64 0.00 0.61 -2.04 0.00 0.00 179.24 178.45 2kvr n GLY 108 N 0.26 -0.56 0.00 7.15 0.00 -1.24 -2.26 105.19 108.54 2kvr n GLY 108 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2kvr n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kvr n ASN 109 N -0.42 1.03 -1.67 1.61 3.02 -1.17 -4.51 115.26 113.15 2kvr n ASN 109 Ca 0.00 -0.50 -0.06 0.00 -0.03 0.00 0.00 54.58 54.00 2kvr n ASN 109 Cb 0.03 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.25 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2kvr n LYS 110 N -1.27 0.14 -1.98 3.52 -0.00 -0.96 -5.01 118.16 112.60 2kvr n LYS 110 Ca 0.01 -0.99 -0.32 0.00 -0.00 0.00 0.00 58.31 57.01 2kvr n LYS 110 Cb 0.11 0.84 0.01 0.00 -0.00 0.00 0.00 35.03 35.98 2kvr n LYS 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2kvr s THR 111 N -2.44 4.22 -0.98 0.58 -4.23 -1.26 -1.03 115.64 110.50 2kvr s THR 111 Ca 0.12 0.91 0.28 0.00 -1.18 0.00 0.00 61.69 61.81 2kvr s THR 111 Cb 0.00 -3.57 0.18 0.00 1.34 0.00 0.00 72.50 70.45 2kvr s THR 111 CO 0.08 -0.76 1.78 1.15 -0.54 0.00 0.00 174.62 176.33 2kvr n MET 112 N -2.33 0.02 0.22 3.99 0.00 -1.13 -3.48 117.12 114.40 2kvr n MET 112 Ca 0.07 0.01 0.06 0.00 0.00 0.00 0.00 57.70 57.84 2kvr n MET 112 Cb 0.54 -1.52 0.50 0.00 0.00 0.00 0.00 33.22 32.74 2kvr n MET 112 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2kvr h ILE 113 N 0.00 1.03 -0.09 3.17 6.09 -1.73 -2.73 117.51 123.24 2kvr h ILE 113 Ca 0.00 -0.88 -0.13 0.00 -1.37 0.00 0.00 64.86 62.48 2kvr h ILE 113 Cb 0.51 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 2kvr h ILE 113 CO 0.00 0.24 -0.50 -0.33 -3.07 0.00 0.00 178.15 174.49 2kvr h GLU 114 N 0.00 0.25 0.23 2.19 5.08 -1.86 -0.72 114.58 119.75 2kvr h GLU 114 Ca -0.00 -0.14 -0.32 0.00 -1.00 0.00 0.00 59.36 57.90 2kvr h GLU 114 Cb 0.48 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.77 2kvr h GLU 114 CO 0.03 0.69 -1.41 -0.07 -1.00 0.00 0.00 179.01 177.25 2kvr h LEU 115 N 0.20 0.76 -0.93 1.33 3.38 -1.72 -3.30 115.31 115.02 2kvr h LEU 115 Ca 0.01 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 56.95 2kvr h LEU 115 Cb 0.96 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kvr h LEU 115 CO 0.08 1.68 -0.34 0.77 0.09 0.00 0.00 178.44 180.71 2kvr h SER 116 N 0.05 0.37 -4.38 -0.43 4.64 -1.44 -3.48 113.55 108.89 2kvr h SER 116 Ca -0.25 -0.14 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 2kvr h SER 116 Cb 2.08 -0.10 0.10 0.00 -0.31 0.00 0.00 62.40 64.17 2kvr h SER 116 CO 0.24 0.70 -0.49 -0.67 -0.87 0.00 0.00 176.83 175.74 2kvr n ASP 117 N -4.07 -4.03 -1.41 4.97 2.03 -0.29 -3.64 116.55 110.11 2kvr n ASP 117 Ca -0.01 -0.39 -0.15 0.00 0.52 0.00 0.00 54.79 54.77 2kvr n ASP 117 Cb 0.45 -3.63 -0.03 0.00 -0.72 0.00 0.00 41.12 37.18 2kvr n ASP 117 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kvr n ASN 118 N -1.88 -4.58 -4.79 1.67 3.02 -1.16 -5.02 115.26 102.51 2kvr n ASN 118 Ca -0.06 0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 2kvr n ASN 118 Cb 0.57 -3.57 -0.07 0.00 -0.61 0.00 0.00 39.78 36.10 2kvr n ASN 118 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kvr s GLU 119 N -4.04 3.55 -0.27 3.52 -1.05 -1.24 -5.11 118.70 114.06 2kvr s GLU 119 Ca 0.00 -0.22 -0.24 0.00 -0.15 0.00 0.00 54.97 54.37 2kvr s GLU 119 Cb 0.00 -3.16 0.08 0.00 -0.44 0.00 0.00 34.13 30.60 2kvr s GLU 119 CO 0.00 0.63 0.74 0.54 0.95 0.00 0.00 175.26 178.12 2kvr s ASN 120 N -0.61 -0.76 0.08 0.83 6.03 -1.26 -4.23 114.94 115.02 2kvr s ASN 120 Ca 0.12 1.41 -0.31 0.00 -1.03 0.00 0.00 52.86 53.06 2kvr s ASN 120 Cb -0.12 1.41 -0.08 0.00 -3.03 0.00 0.00 41.25 39.44 2kvr s ASN 120 CO 0.02 -0.24 1.44 -2.16 -2.03 0.00 0.00 177.10 174.13 2kvr s PRO 121 N 0.57 4.29 -0.15 3.55 0.04 -1.26 -4.98 135.00 137.05 2kvr s PRO 121 Ca -0.01 2.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2kvr s PRO 121 Cb -0.05 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 2kvr s PRO 121 CO -0.03 -0.52 0.33 -0.46 0.04 0.00 0.00 177.00 176.35 2kvr s TRP 122 N 1.63 3.48 -0.23 0.56 -0.00 -0.54 -4.89 118.94 118.95 2kvr s TRP 122 Ca 0.66 0.65 -0.13 0.00 -0.00 0.00 0.00 56.10 57.29 2kvr s TRP 122 Cb -0.36 -2.37 -0.05 0.00 -0.00 0.00 0.00 33.47 30.69 2kvr s TRP 122 CO 0.30 0.24 0.26 0.99 -0.00 0.00 0.00 176.95 178.74 2kvr s THR 123 N 0.43 5.29 -0.08 5.86 2.01 -1.26 -0.73 115.64 127.16 2kvr s THR 123 Ca 0.18 0.40 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 2kvr s THR 123 Cb -0.13 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2kvr s THR 123 CO 0.05 0.30 0.21 -0.51 -0.69 0.00 0.00 174.62 173.98 2kvr s ILE 124 N 1.20 -0.00 0.08 1.82 2.07 -0.59 -2.41 121.20 123.38 2kvr s ILE 124 Ca 0.12 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.15 2kvr s ILE 124 Cb -0.14 -0.30 -0.07 0.00 0.13 0.00 0.00 42.46 42.08 2kvr s ILE 124 CO 0.06 0.00 0.66 -0.36 -1.91 0.00 0.00 174.94 173.40 2kvr s PHE 125 N 0.17 3.81 -0.15 3.50 0.40 0.15 -3.48 117.98 122.38 2kvr s PHE 125 Ca -0.00 1.40 -0.06 0.00 -0.60 0.00 0.00 56.93 57.67 2kvr s PHE 125 Cb -0.02 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2kvr s PHE 125 CO -0.00 0.48 0.05 -1.17 0.70 0.00 0.00 175.22 175.28 2kvr s LEU 126 N -0.82 3.80 0.12 -0.37 1.98 -0.65 -1.79 118.68 120.94 2kvr s LEU 126 Ca 0.33 0.13 0.04 0.00 -2.89 0.00 0.00 54.13 51.74 2kvr s LEU 126 Cb -0.21 -1.93 -0.04 0.00 0.66 0.00 0.00 46.19 44.67 2kvr s LEU 126 CO 0.21 0.25 -0.11 -0.70 -1.89 0.00 0.00 176.35 174.11 2kvr s GLU 127 N -0.10 0.95 0.00 1.98 2.56 -0.70 -4.52 118.70 118.88 2kvr s GLU 127 Ca 0.06 -1.26 0.21 0.00 0.00 0.00 0.00 54.97 53.98 2kvr s GLU 127 Cb -0.12 -0.66 0.17 0.00 2.00 0.00 0.00 34.13 35.51 2kvr s GLU 127 CO 0.01 0.10 1.16 2.41 -0.56 0.00 0.00 175.26 178.39