#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 0.27 0.28 0.54 6.02 -1.26 -3.83 117.38 119.41 2kvr n GLN 2 Ca 0.00 -0.13 0.13 0.00 -0.01 0.00 0.00 57.00 56.99 2kvr n GLN 2 Cb 0.00 -1.50 0.81 0.00 1.02 0.00 0.00 30.24 30.57 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 0.32 0.00 -0.57 -1.09 3.07 -2.05 -2.67 115.11 112.12 2kvr h GLN 3 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kvr h GLN 3 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.01 2kvr h GLN 3 CO 0.00 0.05 0.34 -0.07 0.09 0.00 0.00 178.83 179.23 2kvr h LEU 4 N 0.00 0.69 0.05 0.06 -0.00 -2.01 -0.83 115.31 113.27 2kvr h LEU 4 Ca -0.00 -0.07 -0.22 0.00 -0.00 0.00 0.00 57.88 57.59 2kvr h LEU 4 Cb 0.12 -0.17 0.02 0.00 -0.00 0.00 0.00 40.66 40.62 2kvr h LEU 4 CO 0.01 0.55 -0.88 1.62 -0.00 0.00 0.00 178.44 179.74 2kvr h VAL 5 N 0.77 1.37 -0.80 1.22 3.04 -1.77 -3.04 116.25 117.03 2kvr h VAL 5 Ca 0.20 -2.26 -0.02 0.00 -1.01 0.00 0.00 66.70 63.62 2kvr h VAL 5 Cb -0.00 2.65 -0.04 0.00 -2.01 0.00 0.00 31.29 31.88 2kvr h VAL 5 CO -0.04 0.67 0.44 -0.33 -1.01 0.00 0.00 177.57 177.31 2kvr h GLU 6 N 0.07 1.12 -0.15 4.17 5.08 -1.34 -0.76 114.58 122.76 2kvr h GLU 6 Ca -0.12 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 57.90 2kvr h GLU 6 Cb 1.58 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.62 2kvr h GLU 6 CO 0.17 0.81 -0.73 0.07 -1.00 0.00 0.00 179.01 178.33 2kvr h ARG 7 N 1.12 0.71 -0.50 2.33 0.11 -1.29 -3.21 114.38 113.66 2kvr h ARG 7 Ca 0.28 -0.56 -0.08 0.00 0.10 0.00 0.00 59.98 59.72 2kvr h ARG 7 Cb 0.02 0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 2kvr h ARG 7 CO -0.05 1.17 -0.02 1.25 0.10 0.00 0.00 179.97 182.43 2kvr h LEU 8 N 0.49 0.87 -0.12 0.08 6.46 -1.13 -1.38 115.31 120.59 2kvr h LEU 8 Ca -0.04 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2kvr h LEU 8 Cb 1.35 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2kvr h LEU 8 CO 0.15 0.98 0.02 1.56 -0.62 0.00 0.00 178.44 180.53 2kvr h GLN 9 N 0.75 0.19 -0.93 1.25 1.08 -1.30 0.13 115.11 116.28 2kvr h GLN 9 Ca 0.14 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 2kvr h GLN 9 Cb 0.54 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.88 2kvr h GLN 9 CO 0.03 0.37 0.58 1.49 -0.95 0.00 0.00 178.83 180.35 2kvr h GLU 10 N -0.02 1.00 0.13 1.46 4.57 -1.52 -2.37 114.58 117.83 2kvr h GLU 10 Ca 0.04 -0.06 -0.28 0.00 -1.18 0.00 0.00 59.36 57.87 2kvr h GLU 10 Cb 0.27 -0.23 0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2kvr h GLU 10 CO 0.00 0.66 -1.18 0.93 -1.18 0.00 0.00 179.01 178.24 2kvr h GLU 11 N 1.03 0.58 0.00 1.92 5.08 -1.11 -3.36 114.58 118.71 2kvr h GLU 11 Ca 0.41 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2kvr h GLU 11 Cb 0.23 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kvr h GLU 11 CO -0.19 1.36 0.00 1.57 -1.00 0.00 0.00 179.01 180.74 2kvr h LYS 12 N 0.18 0.00 -1.45 2.33 2.10 -0.43 -3.35 116.57 115.95 2kvr h LYS 12 Ca -0.18 0.00 0.43 0.00 -2.00 0.00 0.00 60.65 58.90 2kvr h LYS 12 Cb 1.87 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 33.12 2kvr h LYS 12 CO 0.23 0.00 1.01 0.07 -2.00 0.00 0.00 179.45 178.76 2kvr h ARG 13 N 0.00 0.06 0.00 0.07 0.11 -1.59 -0.49 114.38 112.54 2kvr h ARG 13 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kvr h ARG 13 Cb 0.75 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2kvr h ARG 13 CO 0.00 0.04 0.00 0.44 0.10 0.00 0.00 179.97 180.55 2kvr n ILE 14 N -4.27 0.62 0.20 0.08 -0.00 -1.26 -3.39 119.36 111.35 2kvr n ILE 14 Ca 0.34 0.15 0.06 0.00 -0.00 0.00 0.00 62.75 63.30 2kvr n ILE 14 Cb 1.49 -0.90 0.52 0.00 -0.00 0.00 0.00 39.64 40.76 2kvr n ILE 14 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 2kvr h GLU 15 N 0.00 0.08 0.00 6.28 4.11 -1.40 -0.76 114.58 122.88 2kvr h GLU 15 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kvr h GLU 15 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kvr h GLU 15 CO 0.00 0.17 0.00 0.00 0.07 0.00 0.00 179.01 179.25 2kvr n ALA 16 N -2.51 1.53 -0.01 1.06 0.00 -1.22 -1.61 120.51 117.75 2kvr n ALA 16 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2kvr n ALA 16 Cb 0.18 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2kvr n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kvr n GLN 17 N -1.39 0.22 -0.06 0.00 7.27 -0.42 -4.89 117.38 118.11 2kvr n GLN 17 Ca 0.03 0.09 -0.19 0.00 0.07 0.00 0.00 57.00 57.00 2kvr n GLN 17 Cb 0.09 -0.88 -0.13 0.00 2.41 0.00 0.00 30.24 31.74 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2kvr h LYS 18 N -0.41 0.07 0.00 3.69 1.63 -1.24 -3.38 116.57 116.94 2kvr h LYS 18 Ca -0.02 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2kvr h LYS 18 Cb 0.45 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2kvr h LYS 18 CO -0.01 1.05 0.00 -2.13 -3.45 0.00 0.00 179.45 174.91 2kvr n ARG 19 N -4.36 0.04 -0.26 1.90 0.63 -0.63 -1.62 116.66 112.36 2kvr n ARG 19 Ca -0.23 0.39 0.09 0.00 -0.92 0.00 0.00 57.85 57.18 2kvr n ARG 19 Cb 0.67 -1.60 0.34 0.00 0.45 0.00 0.00 32.46 32.32 2kvr n ARG 19 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2kvr h LYS 20 N 0.00 0.77 -4.86 -0.14 1.57 -1.73 -3.31 116.57 108.88 2kvr h LYS 20 Ca 0.00 -0.05 -0.67 0.00 -1.87 0.00 0.00 60.65 58.06 2kvr h LYS 20 Cb 0.16 -0.17 -0.35 0.00 0.08 0.00 0.00 32.23 31.94 2kvr h LYS 20 CO 0.00 0.51 -0.77 -2.00 -0.57 0.00 0.00 179.45 176.62 2kvr s GLU 21 N -5.74 2.38 -0.10 3.15 -6.30 -0.64 -4.98 118.70 106.47 2kvr s GLU 21 Ca -0.10 -1.27 0.15 0.00 -2.50 0.00 0.00 54.97 51.25 2kvr s GLU 21 Cb 0.21 -2.96 0.23 0.00 0.00 0.00 0.00 34.13 31.60 2kvr s GLU 21 CO 0.79 -0.55 1.11 2.89 0.02 0.00 0.00 175.26 179.52 2kvr n ARG 22 N 4.51 1.23 -2.65 4.30 -4.01 -1.25 -4.86 116.66 113.94 2kvr n ARG 22 Ca -0.14 -2.27 -0.23 0.00 -1.04 0.00 0.00 57.85 54.17 2kvr n ARG 22 Cb 0.43 -1.32 0.11 0.00 -3.04 0.00 0.00 32.46 28.65 2kvr n ARG 22 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 2kvr s GLN 23 N -2.32 1.64 -0.60 2.89 -0.21 -1.26 -4.38 119.66 115.41 2kvr s GLN 23 Ca 0.25 -1.24 -0.28 0.00 0.02 0.00 0.00 55.36 54.11 2kvr s GLN 23 Cb 0.22 -2.36 0.03 0.00 1.00 0.00 0.00 33.01 31.90 2kvr s GLN 23 CO 0.02 -1.47 1.25 -1.83 -2.12 0.00 0.00 175.29 171.14 2kvr s GLU 24 N -5.13 3.43 0.00 2.91 1.03 -1.26 -4.87 118.70 114.81 2kvr s GLU 24 Ca 0.67 0.21 0.00 0.00 0.03 0.00 0.00 54.97 55.88 2kvr s GLU 24 Cb -0.05 -4.06 0.00 0.00 -0.80 0.00 0.00 34.13 29.22 2kvr s GLU 24 CO 0.44 -1.80 0.00 0.00 -1.33 0.00 0.00 175.26 172.57 2kvr n ALA 25 N 8.80 0.00 1.32 -0.84 0.00 -1.26 -5.02 120.51 123.50 2kvr n ALA 25 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.57 2kvr n ALA 25 Cb 0.49 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.23 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 0.71 0.00 1.44 -1.26 -3.75 115.22 112.36 2kvr n HIS 26 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 2kvr n HIS 26 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 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 -0.74 1.76 -0.94 2.39 7.99 -1.26 -4.53 117.00 121.67 2kvr n LEU 27 Ca 0.07 -0.89 0.00 0.00 -0.01 0.00 0.00 56.01 55.19 2kvr n LEU 27 Cb 0.03 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.81 2kvr n LEU 27 CO 0.06 0.31 0.10 -1.22 -1.51 0.00 0.00 177.39 175.12 2kvr n TYR 28 N 0.10 0.00 -1.34 -1.77 4.01 -1.25 -1.74 117.16 115.17 2kvr n TYR 28 Ca 0.04 -0.09 -0.49 0.00 -0.16 0.00 0.00 57.90 57.20 2kvr n TYR 28 Cb 0.40 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.84 0.00 -3.00 -0.72 0.00 0.19 -2.71 117.12 111.71 2kvr n MET 29 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 2kvr n MET 29 Cb 0.10 -1.12 -0.06 0.00 0.00 0.00 0.00 33.22 32.14 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 -0.56 4.53 -0.09 3.17 1.11 -1.26 -1.08 119.66 125.48 2kvr s GLN 30 Ca 0.70 1.11 0.02 0.00 0.01 0.00 0.00 55.36 57.19 2kvr s GLN 30 Cb -1.00 -3.28 0.02 0.00 -1.01 0.00 0.00 33.01 27.74 2kvr s GLN 30 CO 0.53 0.52 -0.12 0.54 0.01 0.00 0.00 175.29 176.76 2kvr s VAL 31 N -0.92 1.24 -0.41 1.09 0.11 -0.27 -2.38 120.40 118.86 2kvr s VAL 31 Ca 0.36 -0.50 -0.25 0.00 -2.93 0.00 0.00 61.98 58.66 2kvr s VAL 31 Cb -0.22 -1.15 0.02 0.00 -1.53 0.00 0.00 36.38 33.49 2kvr s VAL 31 CO 0.25 0.39 0.91 -1.10 -3.33 0.00 0.00 175.10 172.21 2kvr s GLN 32 N 0.96 3.70 0.01 1.54 -0.21 -0.25 -2.22 119.66 123.19 2kvr s GLN 32 Ca -0.08 0.37 0.07 0.00 0.02 0.00 0.00 55.36 55.74 2kvr s GLN 32 Cb -0.15 -3.85 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 2kvr s GLN 32 CO -0.00 -1.05 -0.21 0.42 -2.12 0.00 0.00 175.29 172.33 2kvr s ILE 33 N 3.54 2.52 -0.15 1.08 -1.09 -0.58 -0.86 121.20 125.66 2kvr s ILE 33 Ca 0.37 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2kvr s ILE 33 Cb -0.11 -1.99 0.03 0.00 -1.58 0.00 0.00 42.46 38.81 2kvr s ILE 33 CO 0.22 0.46 -0.10 0.68 -1.23 0.00 0.00 174.94 174.97 2kvr s VAL 34 N -0.78 1.36 -0.01 2.92 -7.23 -1.24 -0.62 120.40 114.81 2kvr s VAL 34 Ca 0.12 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 2kvr s VAL 34 Cb -0.10 -1.37 0.10 0.00 0.56 0.00 0.00 36.38 35.57 2kvr s VAL 34 CO 0.02 0.32 0.89 0.00 -0.31 0.00 0.00 175.10 176.02 2kvr s ALA 35 N 1.56 -1.82 -0.18 1.32 0.00 -1.26 -3.42 121.76 117.95 2kvr s ALA 35 Ca 0.03 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 2kvr s ALA 35 Cb -0.14 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 2kvr s ALA 35 CO -0.09 -0.69 -0.03 -2.00 0.00 0.00 0.00 175.76 172.95 2kvr s GLU 36 N -3.11 3.59 0.37 0.00 2.12 -1.25 -4.66 118.70 115.75 2kvr s GLU 36 Ca 0.05 -0.55 0.14 0.00 0.36 0.00 0.00 54.97 54.97 2kvr s GLU 36 Cb -0.01 -2.96 0.71 0.00 0.26 0.00 0.00 34.13 32.13 2kvr s GLU 36 CO -0.09 0.11 1.80 0.22 -0.54 0.00 0.00 175.26 176.76 2kvr h ASP 37 N 7.14 0.00 0.09 -1.70 3.58 -1.54 -3.09 116.42 120.90 2kvr h ASP 37 Ca -0.33 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 2kvr h ASP 37 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2kvr h ASP 37 CO 0.61 0.40 -0.04 -0.61 -2.88 0.00 0.00 179.24 176.72 2kvr h GLN 38 N 0.00 -0.11 0.00 0.28 5.75 -1.89 -3.46 115.11 115.69 2kvr h GLN 38 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kvr h GLN 38 Cb 0.73 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.30 2kvr h GLN 38 CO 0.05 0.23 0.00 1.19 -2.65 0.00 0.00 178.83 177.65 2kvr n PHE 39 N -4.98 0.00 -3.62 3.99 3.72 -1.25 -5.18 117.46 110.14 2kvr n PHE 39 Ca -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 2kvr n PHE 39 Cb 0.21 0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 2kvr n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kvr n GLY 41 N -0.34 -0.34 3.06 0.00 0.00 -1.26 -3.83 105.19 102.48 2kvr n GLY 41 Ca -0.07 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2kvr n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kvr s HIS 42 N 2.60 1.83 0.78 1.61 5.04 -1.26 -4.85 115.29 121.03 2kvr s HIS 42 Ca 0.95 -0.77 -0.07 0.00 -1.54 0.00 0.00 55.06 53.63 2kvr s HIS 42 Cb -0.53 -1.31 0.17 0.00 0.04 0.00 0.00 32.58 30.94 2kvr s HIS 42 CO 0.36 -0.38 1.06 1.04 -2.34 0.00 0.00 174.74 174.49 2kvr n GLN 43 N 3.95 -0.56 -1.85 2.88 6.02 -1.26 -4.62 117.38 121.94 2kvr n GLN 43 Ca -0.20 -2.26 -0.01 0.00 -0.01 0.00 0.00 57.00 54.51 2kvr n GLN 43 Cb 0.52 -0.90 -0.01 0.00 1.02 0.00 0.00 30.24 30.86 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kvr n GLY 44 N -2.55 -3.55 3.31 1.08 0.00 -1.26 -5.10 105.19 97.11 2kvr n GLY 44 Ca 0.15 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 2kvr n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvr s ASN 45 N -0.31 2.59 -0.17 1.61 4.22 -1.26 -5.06 114.94 116.57 2kvr s ASN 45 Ca -0.06 -0.77 -0.14 0.00 -2.14 0.00 0.00 52.86 49.75 2kvr s ASN 45 Cb 0.00 -0.15 -0.05 0.00 1.28 0.00 0.00 41.25 42.34 2kvr s ASN 45 CO 0.25 0.01 -0.26 0.47 -2.04 0.00 0.00 177.10 175.53 2kvr n ASP 46 N 0.69 1.88 -4.95 3.54 8.00 -1.26 -5.00 116.55 119.45 2kvr n ASP 46 Ca -0.16 0.47 -0.23 0.00 0.71 0.00 0.00 54.79 55.57 2kvr n ASP 46 Cb 0.55 -0.81 0.05 0.00 -0.02 0.00 0.00 41.12 40.89 2kvr n ASP 46 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2kvr s MET 47 N -2.59 2.41 -1.30 -1.24 1.75 -1.26 -4.98 119.30 112.10 2kvr s MET 47 Ca -0.23 -0.53 -0.15 0.00 -1.25 0.00 0.00 55.69 53.53 2kvr s MET 47 Cb 0.04 -2.34 -0.03 0.00 2.84 0.00 0.00 34.83 35.33 2kvr s MET 47 CO 0.34 -0.94 2.27 0.98 -0.65 0.00 0.00 175.02 177.03 2kvr n TYR 48 N -2.60 2.85 -2.75 4.11 4.19 -1.26 -4.89 117.16 116.81 2kvr n TYR 48 Ca 0.08 -2.67 -0.42 0.00 3.31 0.00 0.00 57.90 58.19 2kvr n TYR 48 Cb 0.60 -2.30 -0.04 0.00 0.49 0.00 0.00 39.34 38.09 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 3.45 6.23 0.61 2.98 1.01 -1.26 -4.92 116.67 124.77 2kvr s ASP 49 Ca 0.52 -0.63 0.35 0.00 0.71 0.00 0.00 52.55 53.51 2kvr s ASP 49 Cb 0.14 -2.47 2.02 0.00 1.01 0.00 0.00 42.92 43.63 2kvr s ASP 49 CO -0.04 -1.50 2.29 -0.33 0.21 0.00 0.00 175.17 175.80 2kvr h GLU 50 N 9.63 0.00 -0.01 8.23 5.08 -1.97 0.21 114.58 135.75 2kvr h GLU 50 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2kvr h GLU 50 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kvr h GLU 50 CO 1.19 0.01 -0.06 0.39 -1.00 0.00 0.00 179.01 179.53 2kvr n GLU 51 N -3.56 0.98 0.00 2.33 -0.58 -1.26 -4.05 120.64 114.50 2kvr n GLU 51 Ca -0.03 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 2kvr n GLU 51 Cb 0.09 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2kvr n GLU 51 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kvr n LYS 52 N -0.71 0.73 -0.71 3.49 3.00 0.06 -1.60 118.16 122.42 2kvr n LYS 52 Ca 0.18 -0.02 -0.30 0.00 -0.00 0.00 0.00 58.31 58.17 2kvr n LYS 52 Cb 0.26 -0.19 0.26 0.00 0.00 0.00 0.00 35.03 35.36 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 -0.11 1.43 0.00 3.15 -7.23 0.51 -4.57 120.40 113.58 2kvr s VAL 53 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2kvr s VAL 53 Cb 0.00 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2kvr s VAL 53 CO 0.00 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.08 2kvr n LYS 54 N -5.20 2.76 -1.51 4.82 4.01 -1.26 -4.77 118.16 117.01 2kvr n LYS 54 Ca 0.12 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.62 2kvr n LYS 54 Cb 0.59 0.00 -0.17 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 -0.00 0.43 -2.45 2.13 4.01 -1.26 -4.83 117.16 115.20 2kvr n TYR 55 Ca 0.00 0.17 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 2kvr n TYR 55 Cb 0.00 -1.63 -0.03 0.00 -0.31 0.00 0.00 39.34 37.38 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 5.90 4.21 -0.45 -0.72 -1.32 0.21 -4.77 115.64 118.70 2kvr s THR 56 Ca 1.28 1.55 -0.15 0.00 -1.21 0.00 0.00 61.69 63.17 2kvr s THR 56 Cb -0.92 -4.00 0.06 0.00 -1.51 0.00 0.00 72.50 66.13 2kvr s THR 56 CO 0.48 0.03 0.35 -0.69 -2.21 0.00 0.00 174.62 172.58 2kvr s VAL 57 N 1.91 5.12 -0.20 5.08 1.01 -1.26 -1.53 120.40 130.53 2kvr s VAL 57 Ca 0.57 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2kvr s VAL 57 Cb -0.26 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2kvr s VAL 57 CO 0.24 -0.48 0.09 -0.36 0.00 0.00 0.00 175.10 174.58 2kvr s PHE 58 N 1.63 3.28 -0.45 5.22 0.08 -0.94 -4.90 117.98 121.89 2kvr s PHE 58 Ca 0.04 0.11 -0.24 0.00 0.12 0.00 0.00 56.93 56.96 2kvr s PHE 58 Cb -0.23 -2.13 0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2kvr s PHE 58 CO 0.07 0.14 0.85 -1.59 -0.10 0.00 0.00 175.22 174.59 2kvr s LYS 59 N 0.52 3.48 0.11 0.44 0.00 -1.26 -1.12 119.74 121.91 2kvr s LYS 59 Ca 0.05 0.04 0.06 0.00 0.00 0.00 0.00 55.97 56.11 2kvr s LYS 59 Cb -0.12 -3.93 -0.04 0.00 0.00 0.00 0.00 37.83 33.74 2kvr s LYS 59 CO 0.00 -1.15 -0.14 0.14 0.00 0.00 0.00 175.35 174.20 2kvr s VAL 60 N 3.49 1.31 -0.46 1.79 -7.23 -0.24 -4.88 120.40 114.19 2kvr s VAL 60 Ca 0.33 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.59 2kvr s VAL 60 Cb -0.11 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.41 2kvr s VAL 60 CO 0.24 -0.36 1.08 -0.76 -0.31 0.00 0.00 175.10 174.99 2kvr s LEU 61 N -2.29 3.75 0.44 1.32 1.43 -1.25 -0.64 118.68 121.44 2kvr s LEU 61 Ca 0.07 0.46 0.12 0.00 -1.03 0.00 0.00 54.13 53.75 2kvr s LEU 61 Cb -0.06 -3.47 0.97 0.00 0.03 0.00 0.00 46.19 43.66 2kvr s LEU 61 CO 0.03 -1.16 2.02 0.07 0.23 0.00 0.00 176.35 177.54 2kvr h LYS 62 N 9.06 0.20 0.00 1.70 2.10 -1.68 -2.62 116.57 125.33 2kvr h LYS 62 Ca -0.23 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2kvr h LYS 62 Cb 1.06 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2kvr h LYS 62 CO 1.09 0.24 -0.08 0.27 -2.00 0.00 0.00 179.45 178.97 2kvr n ASN 63 N -4.40 0.15 -4.97 7.07 6.94 -1.26 -2.13 115.26 116.66 2kvr n ASN 63 Ca -0.01 0.39 -0.21 0.00 -0.02 0.00 0.00 54.58 54.73 2kvr n ASN 63 Cb 0.17 -0.40 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 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 -3.15 5.82 0.58 0.53 0.15 -0.99 -4.53 113.70 112.11 2kvr s SER 64 Ca 0.13 0.03 -0.18 0.00 0.70 0.00 0.00 55.95 56.63 2kvr s SER 64 Cb 0.18 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2kvr s SER 64 CO 0.56 -0.65 1.14 -0.94 1.20 0.00 0.00 173.24 174.55 2kvr s SER 65 N -4.23 5.47 0.53 5.45 1.04 -1.26 -2.05 113.70 118.65 2kvr s SER 65 Ca 0.48 2.17 0.30 0.00 0.48 0.00 0.00 55.95 59.38 2kvr s SER 65 Cb -0.10 -2.58 1.47 0.00 0.10 0.00 0.00 66.02 64.91 2kvr s SER 65 CO 0.35 -1.39 2.05 0.25 0.98 0.00 0.00 173.24 175.49 2kvr h LEU 66 N 0.85 0.00 -1.66 2.42 7.12 -1.44 -2.54 115.31 120.06 2kvr h LEU 66 Ca -0.49 0.00 0.20 0.00 0.13 0.00 0.00 57.88 57.72 2kvr h LEU 66 Cb 1.26 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.34 2kvr h LEU 66 CO 0.56 0.10 0.58 0.00 -0.13 0.00 0.00 178.44 179.55 2kvr h ALA 67 N 1.90 2.35 -0.03 1.25 0.00 -1.80 -0.58 119.26 122.35 2kvr h ALA 67 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2kvr h ALA 67 Cb 0.39 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kvr h ALA 67 CO 0.01 -0.61 -0.92 0.93 0.00 0.00 0.00 179.25 178.66 2kvr h GLU 68 N 0.29 0.55 -0.38 0.00 4.39 -1.79 -2.34 114.58 115.30 2kvr h GLU 68 Ca 0.43 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2kvr h GLU 68 Cb 1.23 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 2kvr h GLU 68 CO -0.12 1.18 0.22 0.35 -1.16 0.00 0.00 179.01 179.47 2kvr h PHE 69 N 0.33 0.51 0.39 4.33 3.57 -1.27 -2.54 116.94 122.27 2kvr h PHE 69 Ca -0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2kvr h PHE 69 Cb 1.55 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2kvr h PHE 69 CO 0.07 0.39 -0.19 0.28 -2.23 0.00 0.00 178.31 176.64 2kvr h VAL 70 N 0.49 0.62 -0.87 1.41 2.07 -1.19 -1.85 116.25 116.92 2kvr h VAL 70 Ca 0.13 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2kvr h VAL 70 Cb 0.04 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2kvr h VAL 70 CO -0.02 0.05 0.43 0.06 0.02 0.00 0.00 177.57 178.11 2kvr h GLN 71 N -0.67 1.24 -0.41 1.57 3.07 -1.48 0.53 115.11 118.96 2kvr h GLN 71 Ca -0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 58.65 58.48 2kvr h GLN 71 Cb 0.48 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 2kvr h GLN 71 CO 0.09 0.94 0.10 0.77 0.09 0.00 0.00 178.83 180.82 2kvr h SER 72 N 1.23 0.62 0.27 0.06 0.02 -1.47 -2.46 113.55 111.82 2kvr h SER 72 Ca 0.30 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2kvr h SER 72 Cb 0.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2kvr h SER 72 CO -0.04 0.69 -0.39 0.25 -1.14 0.00 0.00 176.83 176.20 2kvr h LEU 73 N 0.52 0.17 -0.34 5.07 6.46 -0.88 -2.17 115.31 124.13 2kvr h LEU 73 Ca 0.13 -0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 2kvr h LEU 73 Cb 0.31 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2kvr h LEU 73 CO 0.00 0.54 -0.15 -1.28 -0.62 0.00 0.00 178.44 176.93 2kvr h SER 74 N 0.14 0.72 0.66 1.25 0.87 -0.72 -2.57 113.55 113.90 2kvr h SER 74 Ca 0.01 -0.40 -0.20 0.00 -1.23 0.00 0.00 61.79 59.98 2kvr h SER 74 Cb 0.75 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2kvr h SER 74 CO 0.06 0.96 -0.90 1.56 -0.53 0.00 0.00 176.83 177.97 2kvr h GLN 75 N 0.48 0.15 0.08 2.24 1.08 -1.34 -1.46 115.11 116.34 2kvr h GLN 75 Ca 0.08 -0.18 -0.26 0.00 -1.45 0.00 0.00 58.65 56.84 2kvr h GLN 75 Cb 0.68 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2kvr h GLN 75 CO 0.05 0.95 -1.26 0.00 -0.95 0.00 0.00 178.83 177.62 2kvr h THR 76 N 0.08 1.46 0.00 -0.54 1.03 -1.40 -3.37 112.91 110.18 2kvr h THR 76 Ca -0.04 -3.10 0.00 0.00 -0.01 0.00 0.00 66.41 63.26 2kvr h THR 76 Cb 1.55 2.86 0.00 0.00 -1.07 0.00 0.00 68.15 71.48 2kvr h THR 76 CO 0.13 0.88 -1.03 0.23 -0.01 0.00 0.00 175.52 175.72 2kvr n MET 77 N -3.44 1.81 -0.89 0.00 2.81 -0.97 -5.00 117.12 111.44 2kvr n MET 77 Ca -0.08 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 2kvr n MET 77 Cb 1.01 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.36 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 1.56 0.56 3.71 3.03 0.00 -0.56 -4.56 105.19 108.92 2kvr n GLY 78 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.01 3.66 0.15 1.61 0.40 -1.19 -5.00 117.98 115.60 2kvr s PHE 79 Ca 0.00 1.68 -0.31 0.00 -0.60 0.00 0.00 56.93 57.70 2kvr s PHE 79 Cb 0.00 -3.10 -0.11 0.00 0.51 0.00 0.00 43.02 40.32 2kvr s PHE 79 CO 0.00 0.00 1.81 -1.25 0.70 0.00 0.00 175.22 176.48 2kvr s PRO 80 N 0.97 4.13 0.57 0.24 0.04 -1.26 -4.24 135.00 135.45 2kvr s PRO 80 Ca 0.51 2.61 0.26 0.00 0.04 0.00 0.00 61.00 64.43 2kvr s PRO 80 Cb -0.21 -3.45 1.70 0.00 0.04 0.00 0.00 34.50 32.58 2kvr s PRO 80 CO 0.28 -0.82 2.23 -0.56 0.04 0.00 0.00 177.00 178.17 2kvr h GLN 81 N 8.11 0.00 -0.09 4.56 3.07 -1.91 0.00 115.11 128.86 2kvr h GLN 81 Ca -0.45 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.18 2kvr h GLN 81 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 2kvr h GLN 81 CO 0.95 0.00 -0.42 -0.44 0.09 0.00 0.00 178.83 179.01 2kvr h ASP 82 N 0.00 0.21 -0.22 0.06 5.19 -1.97 -3.21 116.42 116.48 2kvr h ASP 82 Ca -0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2kvr h ASP 82 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2kvr h ASP 82 CO 0.00 0.61 0.00 0.00 -3.12 0.00 0.00 179.24 176.73 2kvr n GLN 83 N -4.02 1.85 -1.81 3.56 6.02 -0.18 -4.89 117.38 117.91 2kvr n GLN 83 Ca -0.02 -1.72 -0.24 0.00 -0.01 0.00 0.00 57.00 55.01 2kvr n GLN 83 Cb 0.48 -1.29 -0.05 0.00 1.02 0.00 0.00 30.24 30.40 2kvr n GLN 83 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kvr s ILE 84 N -1.05 3.22 -0.30 5.09 1.01 -0.21 -3.87 121.20 125.09 2kvr s ILE 84 Ca 0.21 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 2kvr s ILE 84 Cb 0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2kvr s ILE 84 CO 0.18 -0.48 0.42 -0.13 0.00 0.00 0.00 174.94 174.93 2kvr s ARG 85 N 7.89 3.88 -0.24 2.79 0.52 -0.82 -4.96 118.95 128.00 2kvr s ARG 85 Ca 0.82 -0.02 -0.21 0.00 -0.52 0.00 0.00 55.73 55.80 2kvr s ARG 85 Cb -0.11 -3.71 -0.02 0.00 0.52 0.00 0.00 34.95 31.63 2kvr s ARG 85 CO 0.08 -0.40 0.65 -0.51 0.02 0.00 0.00 175.30 175.14 2kvr s LEU 86 N 2.17 4.09 -0.28 2.53 1.02 -1.26 -1.59 118.68 125.35 2kvr s LEU 86 Ca 0.16 0.78 0.03 0.00 0.02 0.00 0.00 54.13 55.13 2kvr s LEU 86 Cb -0.16 -2.90 0.07 0.00 0.02 0.00 0.00 46.19 43.22 2kvr s LEU 86 CO 0.11 -0.36 -0.07 0.26 0.02 0.00 0.00 176.35 176.31 2kvr s TRP 87 N 2.38 3.38 0.81 0.29 0.52 -0.97 -1.57 118.94 123.77 2kvr s TRP 87 Ca 0.28 -2.49 -0.11 0.00 0.02 0.00 0.00 56.10 53.79 2kvr s TRP 87 Cb -0.16 -2.18 0.08 0.00 -1.15 0.00 0.00 33.47 30.06 2kvr s TRP 87 CO 0.09 -0.90 1.10 -1.25 0.02 0.00 0.00 176.95 176.01 2kvr s PRO 88 N 1.06 2.00 -1.04 4.98 0.04 -1.26 -0.74 135.00 140.04 2kvr s PRO 88 Ca -0.04 0.65 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 2kvr s PRO 88 Cb -0.20 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2kvr s PRO 88 CO -0.06 -1.68 2.26 0.00 0.04 0.00 0.00 177.00 177.56 2kvr n MET 89 N -3.48 2.37 -2.47 4.56 0.00 -1.05 -4.85 117.12 112.20 2kvr n MET 89 Ca 0.07 -1.58 -0.41 0.00 0.00 0.00 0.00 57.70 55.78 2kvr n MET 89 Cb 0.56 -2.51 -0.04 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 3.19 4.59 -1.09 3.17 2.00 -1.26 -4.91 119.66 125.35 2kvr s GLN 90 Ca 0.45 1.78 -0.23 0.00 -2.00 0.00 0.00 55.36 55.36 2kvr s GLN 90 Cb 0.12 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 2kvr s GLN 90 CO -0.04 0.09 1.87 0.00 -0.50 0.00 0.00 175.29 176.71 2kvr s ALA 91 N -0.51 2.02 0.00 1.58 0.00 -1.26 -4.43 121.76 119.16 2kvr s ALA 91 Ca 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2kvr s ALA 91 Cb -0.31 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.19 2kvr s ALA 91 CO 0.37 -4.71 0.00 0.54 0.00 0.00 0.00 175.76 171.96 2kvr n ARG 92 N 8.54 3.75 -1.89 0.00 5.12 -1.26 -4.97 116.66 125.94 2kvr n ARG 92 Ca 0.43 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.96 2kvr n ARG 92 Cb 0.47 -0.49 -0.03 0.00 -1.16 0.00 0.00 32.46 31.24 2kvr n ARG 92 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2kvr n SER 93 N -0.76 3.56 -3.40 0.55 2.88 -1.26 -3.89 113.62 111.29 2kvr n SER 93 Ca 0.00 -2.78 -0.13 0.00 -1.33 0.00 0.00 58.87 54.64 2kvr n SER 93 Cb 0.00 -1.56 -0.10 0.00 -0.75 0.00 0.00 64.21 61.80 2kvr n SER 93 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2kvr s ASN 94 N 4.89 0.69 0.00 -3.46 0.01 -1.26 -5.04 114.94 110.77 2kvr s ASN 94 Ca 0.58 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 2kvr s ASN 94 Cb 0.07 0.85 0.00 0.00 0.41 0.00 0.00 41.25 42.58 2kvr s ASN 94 CO 0.07 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 2kvr n GLY 95 N 5.35 1.31 2.81 0.66 0.00 -1.26 -4.37 105.19 109.68 2kvr n GLY 95 Ca -0.04 0.41 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.62 0.38 2.61 2.01 -1.26 -5.15 115.64 114.85 2kvr s THR 96 Ca 0.00 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.70 2kvr s THR 96 Cb 0.00 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 2kvr s THR 96 CO 0.00 0.22 0.82 -1.59 -0.69 0.00 0.00 174.62 173.38 2kvr s LYS 97 N 1.86 4.05 -0.41 4.92 -2.85 -1.25 -4.96 119.74 121.10 2kvr s LYS 97 Ca 0.04 0.82 0.04 0.00 -1.00 0.00 0.00 55.97 55.86 2kvr s LYS 97 Cb -0.13 -2.33 0.17 0.00 -2.06 0.00 0.00 37.83 33.48 2kvr s LYS 97 CO -0.07 0.05 0.35 0.50 0.10 0.00 0.00 175.35 176.29 2kvr s ARG 98 N -3.19 0.88 0.69 1.78 6.06 -1.26 -5.08 118.95 118.83 2kvr s ARG 98 Ca 0.57 -2.00 -0.10 0.00 -2.50 0.00 0.00 55.73 51.70 2kvr s ARG 98 Cb -0.10 -1.33 0.03 0.00 0.06 0.00 0.00 34.95 33.60 2kvr s ARG 98 CO 0.18 -1.37 1.05 -1.25 -2.50 0.00 0.00 175.30 171.41 2kvr s PRO 99 N 0.18 2.70 0.01 5.12 0.04 -1.26 -5.02 135.00 136.78 2kvr s PRO 99 Ca 0.32 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2kvr s PRO 99 Cb 0.02 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2kvr s PRO 99 CO -0.18 -1.04 -0.03 0.00 0.04 0.00 0.00 177.00 175.79 2kvr s ALA 100 N -3.29 0.15 0.66 8.56 0.00 -1.26 -5.17 121.76 121.42 2kvr s ALA 100 Ca 0.58 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 2kvr s ALA 100 Cb -0.11 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2kvr s ALA 100 CO 0.49 -0.07 1.06 0.00 0.00 0.00 0.00 175.76 177.24 2kvr s MET 101 N -0.86 3.18 -0.01 0.00 0.23 -1.26 -4.66 119.30 115.93 2kvr s MET 101 Ca -0.08 0.57 -0.30 0.00 -1.03 0.00 0.00 55.69 54.84 2kvr s MET 101 Cb -0.06 -2.06 -0.04 0.00 -1.53 0.00 0.00 34.83 31.14 2kvr s MET 101 CO -0.00 -0.82 1.17 -0.51 -2.03 0.00 0.00 175.02 172.83 2kvr s LEU 102 N -5.26 4.32 0.18 0.18 2.01 -0.61 -4.98 118.68 114.52 2kvr s LEU 102 Ca 0.57 1.87 -0.32 0.00 0.01 0.00 0.00 54.13 56.26 2kvr s LEU 102 Cb -0.11 -3.57 -0.11 0.00 0.01 0.00 0.00 46.19 42.42 2kvr s LEU 102 CO 0.52 -0.50 1.62 -0.62 1.01 0.00 0.00 176.35 178.38 2kvr s ASP 103 N 1.26 6.52 0.53 2.29 -1.08 -1.26 -4.54 116.67 120.39 2kvr s ASP 103 Ca 0.56 2.70 0.31 0.00 -0.52 0.00 0.00 52.55 55.60 2kvr s ASP 103 Cb -0.26 -2.59 1.25 0.00 -1.46 0.00 0.00 42.92 39.86 2kvr s ASP 103 CO 0.25 -0.88 1.95 -1.13 0.52 0.00 0.00 175.17 175.88 2kvr h ASN 104 N 6.86 0.00 0.38 -0.34 -0.00 -1.94 0.61 115.58 121.16 2kvr h ASN 104 Ca -0.43 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.55 2kvr h ASN 104 Cb 1.20 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.55 2kvr h ASN 104 CO 0.93 0.05 -1.42 -0.08 -0.00 0.00 0.00 177.43 176.91 2kvr h GLU 105 N 0.00 0.45 -0.01 6.67 4.81 -2.01 -3.39 114.58 121.09 2kvr h GLU 105 Ca -0.00 -0.76 -0.02 0.00 -0.13 0.00 0.00 59.36 58.45 2kvr h GLU 105 Cb 0.57 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2kvr h GLU 105 CO 0.01 1.36 -0.05 0.00 -0.73 0.00 0.00 179.01 179.59 2kvr h ALA 106 N 0.30 0.02 0.47 2.92 0.00 -1.68 -3.35 119.26 117.94 2kvr h ALA 106 Ca -0.22 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2kvr h ALA 106 Cb 2.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2kvr h ALA 106 CO 0.25 -0.10 -0.23 0.38 0.00 0.00 0.00 179.25 179.55 2kvr h ASP 107 N -0.59 -0.54 0.69 0.00 2.03 -1.11 -2.92 116.42 113.98 2kvr h ASP 107 Ca -0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2kvr h ASP 107 Cb 0.73 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 2kvr h ASP 107 CO 0.01 -0.23 0.00 0.61 -1.03 0.00 0.00 179.24 178.60 2kvr n GLY 108 N -0.76 -1.23 0.11 7.15 0.00 -1.26 -2.86 105.19 106.34 2kvr n GLY 108 Ca -0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2kvr n GLY 108 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2kvr h ASN 109 N 0.00 0.24 -3.45 1.61 -0.73 -1.64 -3.25 115.58 108.35 2kvr h ASN 109 Ca 0.00 -0.22 -0.21 0.00 1.87 0.00 0.00 56.30 57.74 2kvr h ASN 109 Cb 0.35 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 2kvr h ASN 109 CO 0.00 1.07 -0.17 2.29 -0.37 0.00 0.00 177.43 180.25 2kvr n LYS 110 N -3.58 0.97 -2.21 6.67 -0.00 -1.14 -4.99 118.16 113.88 2kvr n LYS 110 Ca -0.04 -1.30 -0.33 0.00 -0.00 0.00 0.00 58.31 56.64 2kvr n LYS 110 Cb 0.87 0.63 -0.00 0.00 -0.00 0.00 0.00 35.03 36.53 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 -2.01 3.77 -1.76 0.58 -4.23 -1.26 -1.67 115.64 109.05 2kvr s THR 111 Ca 0.06 0.93 0.31 0.00 -1.18 0.00 0.00 61.69 61.81 2kvr s THR 111 Cb 0.00 -3.40 0.70 0.00 1.34 0.00 0.00 72.50 71.14 2kvr s THR 111 CO 0.04 -0.40 2.10 1.15 -0.54 0.00 0.00 174.62 176.97 2kvr n MET 112 N -1.66 0.77 0.09 3.99 0.00 -0.87 -3.38 117.12 116.07 2kvr n MET 112 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 57.70 57.71 2kvr n MET 112 Cb 0.53 -1.50 0.26 0.00 0.00 0.00 0.00 33.22 32.51 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 0.16 1.27 0.00 3.17 6.09 -1.70 -1.54 117.51 124.97 2kvr h ILE 113 Ca 0.00 -1.31 -0.08 0.00 -1.37 0.00 0.00 64.86 62.10 2kvr h ILE 113 Cb 0.17 1.53 -0.01 0.00 0.47 0.00 0.00 36.82 38.98 2kvr h ILE 113 CO 0.00 0.39 -0.40 -0.33 -3.07 0.00 0.00 178.15 174.74 2kvr h GLU 114 N 0.23 0.00 0.09 2.19 5.08 -1.86 -1.35 114.58 118.95 2kvr h GLU 114 Ca 0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.05 2kvr h GLU 114 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2kvr h GLU 114 CO 0.05 0.40 -1.84 1.28 -1.00 0.00 0.00 179.01 177.90 2kvr n LEU 115 N -3.80 2.45 0.22 1.33 4.77 -1.16 -4.32 117.00 116.48 2kvr n LEU 115 Ca -0.01 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 2kvr n LEU 115 Cb 0.47 -1.07 0.49 0.00 -2.33 0.00 0.00 43.42 40.98 2kvr n LEU 115 CO 0.38 0.71 0.81 0.77 -1.33 0.00 0.00 177.39 178.73 2kvr h SER 116 N -0.22 0.00 -2.83 -1.43 4.64 -1.20 -3.47 113.55 109.04 2kvr h SER 116 Ca -0.42 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.58 2kvr h SER 116 Cb 1.84 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.94 2kvr h SER 116 CO -0.00 0.26 -0.44 -0.67 -0.87 0.00 0.00 176.83 175.11 2kvr n ASP 117 N -3.64 -4.96 -1.08 4.97 2.03 -0.52 -2.23 116.55 111.12 2kvr n ASP 117 Ca -0.01 -0.10 -0.11 0.00 0.52 0.00 0.00 54.79 55.10 2kvr n ASP 117 Cb 0.39 -3.97 -0.02 0.00 -0.72 0.00 0.00 41.12 36.80 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 -1.30 -3.78 -4.80 1.67 3.02 -1.23 -5.03 115.26 103.81 2kvr n ASN 118 Ca -0.15 0.08 -0.35 0.00 -0.03 0.00 0.00 54.58 54.13 2kvr n ASN 118 Cb 0.63 -2.74 -0.07 0.00 -0.61 0.00 0.00 39.78 36.99 2kvr n ASN 118 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kvr s GLU 119 N -3.97 4.38 -0.29 3.52 2.02 -0.95 -5.07 118.70 118.34 2kvr s GLU 119 Ca 0.00 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.20 2kvr s GLU 119 Cb 0.00 -2.47 0.19 0.00 0.10 0.00 0.00 34.13 31.95 2kvr s GLU 119 CO 0.00 0.12 0.58 1.21 0.02 0.00 0.00 175.26 177.19 2kvr s ASN 120 N -1.93 -1.39 0.23 -0.19 2.47 -1.26 -4.22 114.94 108.64 2kvr s ASN 120 Ca 0.56 0.55 -0.19 0.00 0.42 0.00 0.00 52.86 54.20 2kvr s ASN 120 Cb -0.13 2.06 -0.08 0.00 -1.45 0.00 0.00 41.25 41.64 2kvr s ASN 120 CO 0.18 -0.28 0.72 -2.16 -3.72 0.00 0.00 177.10 171.84 2kvr s PRO 121 N 2.83 4.24 -0.37 0.43 0.04 -1.26 -5.00 135.00 135.91 2kvr s PRO 121 Ca 0.16 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 61.87 2kvr s PRO 121 Cb -0.13 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2kvr s PRO 121 CO -0.23 0.38 0.56 -0.46 0.04 0.00 0.00 177.00 177.29 2kvr s TRP 122 N -1.54 3.15 -0.01 0.56 -0.00 -1.00 -4.87 118.94 115.23 2kvr s TRP 122 Ca 0.43 0.15 -0.27 0.00 -0.00 0.00 0.00 56.10 56.41 2kvr s TRP 122 Cb -0.16 -3.04 -0.04 0.00 -0.00 0.00 0.00 33.47 30.23 2kvr s TRP 122 CO 0.21 -0.62 0.86 0.99 -0.00 0.00 0.00 176.95 178.38 2kvr s THR 123 N 2.52 4.88 0.08 5.86 2.01 -1.26 -1.09 115.64 128.65 2kvr s THR 123 Ca 0.20 1.80 -0.09 0.00 0.31 0.00 0.00 61.69 63.91 2kvr s THR 123 Cb -0.15 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.16 2kvr s THR 123 CO 0.15 0.23 0.21 -0.51 -0.69 0.00 0.00 174.62 174.00 2kvr s ILE 124 N 0.73 0.13 -0.09 1.82 2.07 -0.04 -2.51 121.20 123.31 2kvr s ILE 124 Ca 0.45 -1.09 0.01 0.00 -1.41 0.00 0.00 60.65 58.60 2kvr s ILE 124 Cb -0.20 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 2kvr s ILE 124 CO 0.24 -0.60 -0.10 0.12 -1.91 0.00 0.00 174.94 172.69 2kvr s PHE 125 N -3.67 2.86 -0.37 3.50 5.36 0.09 -3.65 117.98 122.10 2kvr s PHE 125 Ca 0.03 -0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 55.57 2kvr s PHE 125 Cb 0.04 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 2kvr s PHE 125 CO -0.10 0.10 0.60 -1.17 -1.46 0.00 0.00 175.22 173.20 2kvr s LEU 126 N -0.31 4.32 0.16 6.12 0.20 -1.22 -2.28 118.68 125.67 2kvr s LEU 126 Ca 0.04 0.02 0.06 0.00 0.69 0.00 0.00 54.13 54.93 2kvr s LEU 126 Cb -0.13 -2.72 -0.04 0.00 -0.43 0.00 0.00 46.19 42.88 2kvr s LEU 126 CO 0.02 -0.59 0.08 -0.70 -0.29 0.00 0.00 176.35 174.87 2kvr s GLU 127 N 2.64 2.70 0.00 1.98 2.56 -0.62 -4.78 118.70 123.18 2kvr s GLU 127 Ca 0.22 -0.96 0.10 0.00 0.00 0.00 0.00 54.97 54.34 2kvr s GLU 127 Cb -0.15 -2.53 0.08 0.00 2.00 0.00 0.00 34.13 33.53 2kvr s GLU 127 CO 0.15 0.48 0.81 2.41 -0.56 0.00 0.00 175.26 178.55