#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvr h GLN 2 N 0.00 0.00 -0.53 0.54 4.20 -2.05 -3.06 115.11 114.21 2kvr h GLN 2 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2kvr h GLN 2 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2kvr h GLN 2 CO 0.00 0.00 0.20 -0.56 -0.67 0.00 0.00 178.83 177.81 2kvr h GLN 3 N 0.00 0.79 0.00 1.46 -0.00 -2.06 -1.41 115.11 113.90 2kvr h GLN 3 Ca -0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.65 58.40 2kvr h GLN 3 Cb 0.41 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 27.75 2kvr h GLN 3 CO 0.00 0.70 -0.62 -0.07 -0.00 0.00 0.00 178.83 178.85 2kvr h LEU 4 N 0.71 0.00 0.01 0.06 3.38 -1.98 -2.83 115.31 114.66 2kvr h LEU 4 Ca 0.17 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 2kvr h LEU 4 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2kvr h LEU 4 CO -0.01 0.43 -1.18 1.62 0.09 0.00 0.00 178.44 179.39 2kvr h VAL 5 N 0.00 1.51 0.64 1.22 3.04 -1.64 -2.98 116.25 118.03 2kvr h VAL 5 Ca -0.03 -3.24 -0.03 0.00 -1.01 0.00 0.00 66.70 62.39 2kvr h VAL 5 Cb 1.35 2.76 0.01 0.00 -2.01 0.00 0.00 31.29 33.40 2kvr h VAL 5 CO 0.05 0.87 -0.31 -0.08 -1.01 0.00 0.00 177.57 177.09 2kvr h GLU 6 N 0.01 -0.83 -0.68 4.17 4.57 -1.22 -1.20 114.58 119.38 2kvr h GLU 6 Ca -0.08 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2kvr h GLU 6 Cb 1.84 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 30.58 2kvr h GLU 6 CO 0.12 -0.52 0.45 0.07 -1.18 0.00 0.00 179.01 177.96 2kvr h ARG 7 N -1.02 0.62 -0.69 1.92 -0.00 -1.66 -1.95 114.38 111.60 2kvr h ARG 7 Ca -0.09 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.98 59.81 2kvr h ARG 7 Cb 0.70 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.97 30.50 2kvr h ARG 7 CO 0.15 0.41 0.24 1.25 -0.00 0.00 0.00 179.97 182.02 2kvr h LEU 8 N 0.64 0.98 -0.59 0.08 5.85 -1.35 -2.38 115.31 118.54 2kvr h LEU 8 Ca 0.30 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2kvr h LEU 8 Cb 0.35 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2kvr h LEU 8 CO -0.10 0.91 0.09 1.56 -0.34 0.00 0.00 178.44 180.57 2kvr h GLN 9 N 1.00 0.99 0.00 1.25 4.20 -0.48 -0.03 115.11 122.03 2kvr h GLN 9 Ca 0.23 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2kvr h GLN 9 Cb 0.26 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2kvr h GLN 9 CO -0.01 0.93 -0.04 0.93 -0.67 0.00 0.00 178.83 179.97 2kvr h GLU 10 N 0.89 0.00 0.00 1.46 5.08 -0.92 -2.34 114.58 118.74 2kvr h GLU 10 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2kvr h GLU 10 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kvr h GLU 10 CO 0.01 0.04 -0.35 0.93 -1.00 0.00 0.00 179.01 178.64 2kvr h GLU 11 N 0.00 0.00 0.00 2.33 5.08 -1.30 -3.41 114.58 117.27 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 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kvr h GLU 11 CO 0.00 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 178.37 2kvr n LYS 12 N -4.30 0.16 0.29 2.33 2.85 -0.04 -2.61 118.16 116.84 2kvr n LYS 12 Ca -0.05 0.59 0.15 0.00 -1.05 0.00 0.00 58.31 57.95 2kvr n LYS 12 Cb 0.18 -1.94 0.81 0.00 -0.65 0.00 0.00 35.03 33.43 2kvr n LYS 12 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2kvr h ARG 13 N 0.00 0.00 0.00 -1.58 -0.00 -1.66 -0.51 114.38 110.63 2kvr h ARG 13 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.91 2kvr h ARG 13 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.05 2kvr h ARG 13 CO 0.00 0.00 -0.35 -0.84 -0.00 0.00 0.00 179.97 178.78 2kvr h ILE 14 N 0.00 1.18 0.00 0.08 -2.65 -1.82 -2.96 117.51 111.34 2kvr h ILE 14 Ca 0.00 -1.24 0.00 0.00 1.03 0.00 0.00 64.86 64.65 2kvr h ILE 14 Cb 0.45 1.68 0.00 0.00 -2.05 0.00 0.00 36.82 36.90 2kvr h ILE 14 CO 0.00 0.35 0.00 -0.62 0.03 0.00 0.00 178.15 177.91 2kvr n GLU 15 N -4.01 0.14 0.09 0.16 -0.58 -0.20 -0.75 120.64 115.48 2kvr n GLU 15 Ca -0.02 0.58 0.07 0.00 -0.42 0.00 0.00 57.16 57.37 2kvr n GLU 15 Cb 0.40 -1.89 0.35 0.00 -0.57 0.00 0.00 31.44 29.73 2kvr n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kvr n ALA 16 N -1.75 1.18 -0.04 0.62 0.00 -1.12 -2.44 120.51 116.96 2kvr n ALA 16 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kvr n ALA 16 Cb 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2kvr n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvr n GLN 17 N -1.93 3.68 0.04 0.00 10.64 -0.60 -4.91 117.38 124.31 2kvr n GLN 17 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 2kvr n GLN 17 Cb 0.06 -0.31 -0.14 0.00 -0.86 0.00 0.00 30.24 29.00 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2kvr h LYS 18 N 0.00 0.17 0.00 2.61 1.63 -0.98 -3.30 116.57 116.70 2kvr h LYS 18 Ca 0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2kvr h LYS 18 Cb 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2kvr h LYS 18 CO 0.00 0.99 0.00 -2.13 -3.45 0.00 0.00 179.45 174.86 2kvr n ARG 19 N -3.36 0.64 -0.35 1.90 0.63 -1.02 -2.04 116.66 113.06 2kvr n ARG 19 Ca -0.16 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 56.94 2kvr n ARG 19 Cb 1.03 -1.49 0.37 0.00 0.45 0.00 0.00 32.46 32.82 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 0.00 0.61 -4.83 -0.14 3.64 -1.79 -3.38 116.57 110.68 2kvr h LYS 20 Ca 0.00 -0.04 -0.66 0.00 -1.27 0.00 0.00 60.65 58.69 2kvr h LYS 20 Cb 0.00 -0.14 -0.19 0.00 -0.41 0.00 0.00 32.23 31.49 2kvr h LYS 20 CO 0.00 0.40 -0.52 -1.21 -2.27 0.00 0.00 179.45 175.85 2kvr s GLU 21 N -5.79 3.70 0.00 1.90 2.02 -0.87 -4.87 118.70 114.80 2kvr s GLU 21 Ca -0.11 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2kvr s GLU 21 Cb 0.26 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2kvr s GLU 21 CO 0.80 -0.29 0.56 2.89 0.02 0.00 0.00 175.26 179.23 2kvr n ARG 22 N 5.05 0.66 -3.16 1.61 1.85 -1.26 -4.83 116.66 116.58 2kvr n ARG 22 Ca -0.14 -0.71 -0.33 0.00 -1.00 0.00 0.00 57.85 55.67 2kvr n ARG 22 Cb 0.51 -0.79 -0.06 0.00 -1.05 0.00 0.00 32.46 31.07 2kvr n ARG 22 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2kvr s GLN 23 N -0.31 4.00 -0.57 2.89 1.11 -1.26 -5.02 119.66 120.50 2kvr s GLN 23 Ca 0.00 0.65 -0.28 0.00 0.01 0.00 0.00 55.36 55.74 2kvr s GLN 23 Cb 0.00 -2.49 0.01 0.00 -1.01 0.00 0.00 33.01 29.52 2kvr s GLN 23 CO 0.00 0.19 1.44 -1.83 0.01 0.00 0.00 175.29 175.10 2kvr s GLU 24 N -2.88 3.26 0.00 2.91 -1.05 -1.26 -4.87 118.70 114.80 2kvr s GLU 24 Ca 0.53 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.80 2kvr s GLU 24 Cb -0.11 -4.14 0.00 0.00 -0.44 0.00 0.00 34.13 29.44 2kvr s GLU 24 CO 0.18 -1.99 0.00 0.00 0.95 0.00 0.00 175.26 174.40 2kvr n ALA 25 N 9.76 0.00 0.08 -0.84 0.00 -1.26 -5.01 120.51 123.24 2kvr n ALA 25 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kvr n ALA 25 Cb 0.49 0.00 0.03 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 1.29 0.00 1.44 -1.26 -2.99 115.22 113.70 2kvr n HIS 26 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 2kvr n HIS 26 Cb 0.00 0.00 0.56 0.00 0.12 0.00 0.00 29.99 30.67 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 -0.87 0.00 -0.71 2.39 7.99 -1.26 -4.34 117.00 120.19 2kvr n LEU 27 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 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 0.01 0.00 0.00 -1.22 -1.51 0.00 0.00 177.39 174.67 2kvr n TYR 28 N -0.96 0.00 -1.47 -1.77 4.01 -1.16 -1.08 117.16 114.73 2kvr n TYR 28 Ca 0.14 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.37 2kvr n TYR 28 Cb 0.07 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.69 0.30 -3.08 -0.72 0.00 -0.14 -2.60 117.12 111.57 2kvr n MET 29 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 57.70 57.48 2kvr n MET 29 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 33.22 31.81 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 -0.68 4.02 -0.06 3.17 1.11 -1.26 -1.31 119.66 124.65 2kvr s GLN 30 Ca 0.72 0.72 0.00 0.00 0.01 0.00 0.00 55.36 56.82 2kvr s GLN 30 Cb -0.99 -2.39 0.02 0.00 -1.01 0.00 0.00 33.01 28.64 2kvr s GLN 30 CO 0.56 0.12 -0.03 0.54 0.01 0.00 0.00 175.29 176.49 2kvr s VAL 31 N -2.03 0.53 -0.23 1.09 0.11 -0.09 -1.46 120.40 118.31 2kvr s VAL 31 Ca 0.55 -0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.32 2kvr s VAL 31 Cb -0.10 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2kvr s VAL 31 CO 0.17 0.25 0.70 -1.10 -3.33 0.00 0.00 175.10 171.79 2kvr s GLN 32 N 1.29 4.17 -0.01 1.54 -0.21 -0.21 -1.91 119.66 124.33 2kvr s GLN 32 Ca -0.05 0.71 0.07 0.00 0.02 0.00 0.00 55.36 56.11 2kvr s GLN 32 Cb -0.14 -3.63 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 2kvr s GLN 32 CO -0.02 -0.40 -0.22 0.42 -2.12 0.00 0.00 175.29 172.95 2kvr s ILE 33 N 2.44 1.71 -0.03 1.08 -1.09 -0.34 -0.94 121.20 124.03 2kvr s ILE 33 Ca 0.30 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 2kvr s ILE 33 Cb -0.16 -1.42 0.02 0.00 -1.58 0.00 0.00 42.46 39.32 2kvr s ILE 33 CO 0.09 0.45 -0.04 0.68 -1.23 0.00 0.00 174.94 174.89 2kvr s VAL 34 N -0.54 0.43 -0.39 2.92 -7.23 -1.22 -0.94 120.40 113.44 2kvr s VAL 34 Ca 0.08 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 2kvr s VAL 34 Cb -0.08 -0.45 0.15 0.00 0.56 0.00 0.00 36.38 36.56 2kvr s VAL 34 CO -0.01 0.18 0.27 0.00 -0.31 0.00 0.00 175.10 175.23 2kvr s ALA 35 N 0.64 1.30 -1.01 1.32 0.00 -1.26 -1.51 121.76 121.24 2kvr s ALA 35 Ca -0.08 -2.20 -0.20 0.00 0.00 0.00 0.00 51.96 49.49 2kvr s ALA 35 Cb -0.11 -1.64 0.10 0.00 0.00 0.00 0.00 23.12 21.47 2kvr s ALA 35 CO -0.00 -2.06 1.31 -2.00 0.00 0.00 0.00 175.76 173.01 2kvr s GLU 36 N 0.57 3.66 0.61 0.00 2.12 -1.26 -4.15 118.70 120.25 2kvr s GLU 36 Ca 0.23 -1.62 0.32 0.00 0.36 0.00 0.00 54.97 54.26 2kvr s GLU 36 Cb -0.13 -5.13 1.84 0.00 0.26 0.00 0.00 34.13 30.97 2kvr s GLU 36 CO -0.07 -1.96 2.19 0.22 -0.54 0.00 0.00 175.26 175.10 2kvr h ASP 37 N 8.96 0.00 -1.11 -1.70 3.58 -1.21 -3.25 116.42 121.69 2kvr h ASP 37 Ca 0.20 0.00 0.31 0.00 0.42 0.00 0.00 57.03 57.96 2kvr h ASP 37 Cb 1.00 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 2kvr h ASP 37 CO 1.26 0.00 0.75 -0.61 -2.88 0.00 0.00 179.24 177.76 2kvr h GLN 38 N 0.00 0.20 -0.29 0.28 5.75 -1.76 0.44 115.11 119.72 2kvr h GLN 38 Ca 0.04 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2kvr h GLN 38 Cb 0.24 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 2kvr h GLN 38 CO -0.00 0.13 0.03 0.74 -2.65 0.00 0.00 178.83 177.09 2kvr h PHE 39 N 0.20 0.05 0.00 3.99 0.04 -1.94 -3.39 116.94 115.90 2kvr h PHE 39 Ca 0.59 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.38 2kvr h PHE 39 Cb 1.87 0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.04 2kvr h PHE 39 CO -0.00 -0.01 -0.02 0.00 -0.60 0.00 0.00 178.31 177.68 2kvr n GLY 41 N 1.76 1.07 3.02 0.00 0.00 0.12 -5.11 105.19 106.04 2kvr n GLY 41 Ca -0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 2kvr n GLY 41 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kvr s HIS 42 N 0.61 -1.32 -0.45 1.61 -3.43 -1.26 -4.37 115.29 106.67 2kvr s HIS 42 Ca 0.00 0.38 0.05 0.00 -0.80 0.00 0.00 55.06 54.69 2kvr s HIS 42 Cb 0.00 0.05 0.19 0.00 -1.43 0.00 0.00 32.58 31.38 2kvr s HIS 42 CO 0.00 -1.05 0.75 -1.14 -2.00 0.00 0.00 174.74 171.29 2kvr s GLN 43 N 2.34 0.84 -0.37 -0.38 0.74 -1.26 -5.03 119.66 116.54 2kvr s GLN 43 Ca 0.12 -0.61 0.13 0.00 0.05 0.00 0.00 55.36 55.04 2kvr s GLN 43 Cb -0.10 0.02 0.38 0.00 1.10 0.00 0.00 33.01 34.40 2kvr s GLN 43 CO -0.21 -1.11 0.85 0.41 -0.55 0.00 0.00 175.29 174.69 2kvr n GLY 44 N 3.52 2.68 0.00 2.59 0.00 -1.26 -4.39 105.19 108.33 2kvr n GLY 44 Ca 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2kvr n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kvr n ASN 45 N 0.16 0.00 0.00 1.61 3.02 -1.26 -5.00 115.26 113.79 2kvr n ASN 45 Ca 0.18 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2kvr n ASN 45 Cb 0.71 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2kvr n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kvr n ASP 46 N -1.21 0.00 -4.65 6.41 2.03 -1.26 -5.15 116.55 112.72 2kvr n ASP 46 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 2kvr n ASP 46 Cb 0.00 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.58 2kvr n ASP 46 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2kvr s MET 47 N 0.00 0.42 -0.94 -0.67 1.75 -1.26 -4.88 119.30 113.72 2kvr s MET 47 Ca 0.00 0.70 -0.26 0.00 -1.25 0.00 0.00 55.69 54.88 2kvr s MET 47 Cb 0.00 -1.72 -0.18 0.00 2.84 0.00 0.00 34.83 35.77 2kvr s MET 47 CO 0.00 -2.78 2.25 -0.47 -0.65 0.00 0.00 175.02 173.37 2kvr s TYR 48 N -2.85 1.19 -0.59 4.11 6.14 -1.26 -4.90 117.35 119.20 2kvr s TYR 48 Ca 0.65 2.12 -0.21 0.00 0.64 0.00 0.00 57.07 60.28 2kvr s TYR 48 Cb -0.20 -3.39 0.07 0.00 0.42 0.00 0.00 41.96 38.86 2kvr s TYR 48 CO 0.59 -1.12 0.82 -0.51 0.64 0.00 0.00 175.55 175.97 2kvr s ASP 49 N 9.65 6.21 0.45 4.32 1.01 -1.26 -4.94 116.67 132.10 2kvr s ASP 49 Ca 0.87 -0.98 0.31 0.00 0.71 0.00 0.00 52.55 53.45 2kvr s ASP 49 Cb -0.09 -2.36 1.56 0.00 1.01 0.00 0.00 42.92 43.04 2kvr s ASP 49 CO 0.13 -1.20 1.93 -0.33 0.21 0.00 0.00 175.17 175.90 2kvr h GLU 50 N 9.31 0.00 -0.65 8.23 3.07 -1.91 0.26 114.58 132.88 2kvr h GLU 50 Ca -0.28 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.47 2kvr h GLU 50 Cb 1.08 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.93 2kvr h GLU 50 CO 1.10 0.00 0.13 -0.85 -1.40 0.00 0.00 179.01 177.99 2kvr n GLU 51 N -2.61 4.33 0.00 2.33 0.00 -1.26 -4.28 120.64 119.15 2kvr n GLU 51 Ca -0.01 -3.14 0.00 0.00 0.00 0.00 0.00 57.16 54.01 2kvr n GLU 51 Cb 0.11 -2.24 0.00 0.00 0.00 0.00 0.00 31.44 29.30 2kvr n GLU 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2kvr n LYS 52 N 0.23 0.00 -0.41 3.44 3.00 0.68 -0.59 118.16 124.52 2kvr n LYS 52 Ca 0.34 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.36 2kvr n LYS 52 Cb 1.29 -0.48 0.27 0.00 0.00 0.00 0.00 35.03 36.11 2kvr n LYS 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2kvr n VAL 53 N -0.79 0.00 -0.27 3.15 0.24 0.08 -4.89 118.33 115.85 2kvr n VAL 53 Ca 0.00 -0.34 -0.22 0.00 -2.04 0.00 0.00 64.34 61.74 2kvr n VAL 53 Cb 0.00 -0.95 0.21 0.00 -1.47 0.00 0.00 33.84 31.63 2kvr n VAL 53 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2kvr n LYS 54 N -4.96 -3.91 -1.52 7.34 0.00 -1.26 -4.84 118.16 109.02 2kvr n LYS 54 Ca 0.05 -1.09 -0.43 0.00 -0.00 0.00 0.00 58.31 56.84 2kvr n LYS 54 Cb 0.56 -1.36 -0.06 0.00 -0.00 0.00 0.00 35.03 34.17 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kvr n TYR 55 N -4.95 1.45 -2.51 5.58 4.01 -1.26 -4.84 117.16 114.63 2kvr n TYR 55 Ca 0.10 0.16 -0.42 0.00 -0.16 0.00 0.00 57.90 57.58 2kvr n TYR 55 Cb 0.44 -2.58 -0.03 0.00 -0.31 0.00 0.00 39.34 36.86 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 9.54 4.39 -0.38 -0.72 -1.32 -0.11 -4.76 115.64 122.28 2kvr s THR 56 Ca 1.08 1.70 -0.12 0.00 -1.21 0.00 0.00 61.69 63.13 2kvr s THR 56 Cb -0.57 -4.09 0.02 0.00 -1.51 0.00 0.00 72.50 66.34 2kvr s THR 56 CO 0.38 -0.02 0.24 0.54 -2.21 0.00 0.00 174.62 173.55 2kvr s VAL 57 N 2.33 4.91 -0.15 5.08 0.11 -1.26 -1.20 120.40 130.22 2kvr s VAL 57 Ca 0.54 -0.66 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 2kvr s VAL 57 Cb -0.23 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 30.90 2kvr s VAL 57 CO 0.20 -0.20 0.02 -0.36 -3.33 0.00 0.00 175.10 171.42 2kvr s PHE 58 N 1.63 3.17 -0.44 1.54 0.08 -0.80 -4.92 117.98 118.23 2kvr s PHE 58 Ca 0.04 -0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.88 2kvr s PHE 58 Cb -0.19 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2kvr s PHE 58 CO 0.08 0.18 0.57 -1.59 -0.10 0.00 0.00 175.22 174.36 2kvr s LYS 59 N 0.05 3.19 0.03 0.44 0.00 -1.26 -0.91 119.74 121.28 2kvr s LYS 59 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 55.97 55.49 2kvr s LYS 59 Cb -0.13 -3.98 -0.02 0.00 0.00 0.00 0.00 37.83 33.70 2kvr s LYS 59 CO 0.02 -0.99 -0.20 0.14 0.00 0.00 0.00 175.35 174.32 2kvr s VAL 60 N 2.57 1.59 -0.01 1.79 -7.23 -0.43 -4.87 120.40 113.80 2kvr s VAL 60 Ca 0.18 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2kvr s VAL 60 Cb -0.16 -1.37 -0.06 0.00 0.56 0.00 0.00 36.38 35.35 2kvr s VAL 60 CO 0.16 0.23 1.49 -0.76 -0.31 0.00 0.00 175.10 175.90 2kvr s LEU 61 N -1.05 4.32 0.33 1.32 1.43 -1.24 -0.97 118.68 122.82 2kvr s LEU 61 Ca 0.07 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 55.43 2kvr s LEU 61 Cb -0.08 -3.55 0.58 0.00 0.03 0.00 0.00 46.19 43.17 2kvr s LEU 61 CO 0.01 -0.80 1.77 0.07 0.23 0.00 0.00 176.35 177.63 2kvr h LYS 62 N 8.30 0.15 0.00 1.70 2.10 -1.45 -2.34 116.57 125.04 2kvr h LYS 62 Ca -0.38 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2kvr h LYS 62 Cb 1.18 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2kvr h LYS 62 CO 0.92 0.50 0.00 0.27 -2.00 0.00 0.00 179.45 179.14 2kvr n ASN 63 N -4.07 0.00 -4.79 7.07 6.94 -1.26 -2.21 115.26 116.94 2kvr n ASN 63 Ca -0.01 0.11 -0.36 0.00 -0.02 0.00 0.00 54.58 54.30 2kvr n ASN 63 Cb 0.43 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.42 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 -2.74 7.23 0.62 0.53 0.15 -0.88 -4.88 113.70 113.74 2kvr s SER 64 Ca 0.22 1.78 -0.17 0.00 0.70 0.00 0.00 55.95 58.49 2kvr s SER 64 Cb 0.19 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2kvr s SER 64 CO 0.47 -0.14 1.12 -0.94 1.20 0.00 0.00 173.24 174.95 2kvr s SER 65 N -1.76 5.27 0.47 5.45 1.04 -1.26 -2.08 113.70 120.83 2kvr s SER 65 Ca 0.53 2.09 0.22 0.00 0.48 0.00 0.00 55.95 59.27 2kvr s SER 65 Cb -0.16 -2.56 1.19 0.00 0.10 0.00 0.00 66.02 64.58 2kvr s SER 65 CO 0.21 -1.52 1.99 0.25 0.98 0.00 0.00 173.24 175.14 2kvr h LEU 66 N 0.43 0.00 -1.61 2.42 7.12 -1.08 -1.87 115.31 120.71 2kvr h LEU 66 Ca -0.48 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.54 2kvr h LEU 66 Cb 1.26 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.37 2kvr h LEU 66 CO 0.55 0.19 0.27 0.00 -0.13 0.00 0.00 178.44 179.32 2kvr h ALA 67 N 1.81 1.73 -0.19 1.25 0.00 -1.12 0.31 119.26 123.05 2kvr h ALA 67 Ca -0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2kvr h ALA 67 Cb 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kvr h ALA 67 CO 0.02 0.25 -0.65 0.93 0.00 0.00 0.00 179.25 179.80 2kvr h GLU 68 N 0.53 0.71 -0.60 0.00 5.08 -1.64 -1.19 114.58 117.48 2kvr h GLU 68 Ca 0.15 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2kvr h GLU 68 Cb -0.04 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2kvr h GLU 68 CO -0.03 1.13 0.26 0.35 -1.00 0.00 0.00 179.01 179.72 2kvr h PHE 69 N 0.52 0.89 -0.17 4.33 3.57 -1.39 -2.61 116.94 122.08 2kvr h PHE 69 Ca -0.02 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 2kvr h PHE 69 Cb 1.25 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2kvr h PHE 69 CO 0.07 0.70 0.01 0.28 -2.23 0.00 0.00 178.31 177.14 2kvr h VAL 70 N 0.83 1.24 -0.19 1.41 2.07 -0.83 -1.61 116.25 119.16 2kvr h VAL 70 Ca 0.20 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2kvr h VAL 70 Cb 0.17 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2kvr h VAL 70 CO -0.02 0.24 -0.28 0.06 0.02 0.00 0.00 177.57 177.58 2kvr h GLN 71 N 0.05 0.38 -0.31 1.57 3.07 -1.25 0.26 115.11 118.87 2kvr h GLN 71 Ca 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 2kvr h GLN 71 Cb 0.35 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 2kvr h GLN 71 CO 0.01 0.63 0.11 0.77 0.09 0.00 0.00 178.83 180.43 2kvr h SER 72 N 0.33 0.44 0.67 0.06 0.02 -1.40 -2.48 113.55 111.19 2kvr h SER 72 Ca 0.05 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 2kvr h SER 72 Cb 0.68 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2kvr h SER 72 CO 0.05 0.52 -0.34 0.25 -1.14 0.00 0.00 176.83 176.17 2kvr h LEU 73 N 0.34 0.00 -0.48 5.07 6.46 -0.77 -2.54 115.31 123.39 2kvr h LEU 73 Ca 0.10 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.70 2kvr h LEU 73 Cb 0.23 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2kvr h LEU 73 CO -0.00 0.34 -0.48 -1.28 -0.62 0.00 0.00 178.44 176.40 2kvr h SER 74 N 0.00 0.77 0.68 1.25 0.87 -0.31 -2.28 113.55 114.53 2kvr h SER 74 Ca -0.00 -0.38 -0.27 0.00 -1.23 0.00 0.00 61.79 59.91 2kvr h SER 74 Cb 0.77 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2kvr h SER 74 CO 0.04 1.12 -1.28 1.56 -0.53 0.00 0.00 176.83 177.75 2kvr h GLN 75 N 0.56 0.17 0.00 2.24 1.08 -1.31 -1.14 115.11 116.72 2kvr h GLN 75 Ca 0.03 -0.30 -0.18 0.00 -1.45 0.00 0.00 58.65 56.75 2kvr h GLN 75 Cb 1.04 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 2kvr h GLN 75 CO 0.10 1.09 -0.94 0.00 -0.95 0.00 0.00 178.83 178.13 2kvr h THR 76 N 0.05 1.22 0.00 -0.54 1.03 -1.48 -3.36 112.91 109.82 2kvr h THR 76 Ca -0.14 -2.81 0.00 0.00 -0.01 0.00 0.00 66.41 63.45 2kvr h THR 76 Cb 1.93 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 71.60 2kvr h THR 76 CO 0.17 0.70 -0.86 0.23 -0.01 0.00 0.00 175.52 175.74 2kvr n MET 77 N -3.23 2.07 -0.79 0.00 2.81 -0.86 -5.03 117.12 112.09 2kvr n MET 77 Ca -0.02 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2kvr n MET 77 Cb 0.87 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 32.40 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 1.81 0.70 3.78 3.03 0.00 -0.43 -5.05 105.19 109.02 2kvr n GLY 78 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.51 3.27 -0.01 1.61 0.40 -1.21 -4.98 117.98 114.54 2kvr s PHE 79 Ca 0.00 1.64 -0.30 0.00 -0.60 0.00 0.00 56.93 57.67 2kvr s PHE 79 Cb 0.00 -3.16 -0.06 0.00 0.51 0.00 0.00 43.02 40.31 2kvr s PHE 79 CO 0.00 -0.68 1.54 -1.25 0.70 0.00 0.00 175.22 175.53 2kvr s PRO 80 N -2.42 4.22 0.04 0.24 0.04 -1.26 -4.39 135.00 131.47 2kvr s PRO 80 Ca 0.57 2.12 0.17 0.00 0.04 0.00 0.00 61.00 63.90 2kvr s PRO 80 Cb -0.23 -3.74 0.72 0.00 0.04 0.00 0.00 34.50 31.29 2kvr s PRO 80 CO 0.29 -0.72 1.54 0.00 0.04 0.00 0.00 177.00 178.15 2kvr n GLN 81 N 6.12 0.03 0.09 4.56 10.64 -1.26 -0.29 117.38 137.27 2kvr n GLN 81 Ca 0.15 0.25 -0.04 0.00 -1.83 0.00 0.00 57.00 55.54 2kvr n GLN 81 Cb 0.43 -1.55 -0.07 0.00 -0.86 0.00 0.00 30.24 28.18 2kvr n GLN 81 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2kvr h ASP 82 N 0.00 0.00 0.00 2.61 5.19 -1.97 -3.38 116.42 118.86 2kvr h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kvr h ASP 82 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2kvr h ASP 82 CO 0.00 0.82 0.00 1.67 -3.12 0.00 0.00 179.24 178.61 2kvr n GLN 83 N -3.30 1.99 -1.69 3.56 7.27 -0.39 -4.98 117.38 119.84 2kvr n GLN 83 Ca 0.00 -1.16 -0.37 0.00 0.07 0.00 0.00 57.00 55.54 2kvr n GLN 83 Cb 0.87 -0.84 -0.03 0.00 2.41 0.00 0.00 30.24 32.65 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 -0.67 3.10 0.29 1.69 1.01 0.61 -4.60 121.20 122.63 2kvr s ILE 84 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2kvr s ILE 84 Cb 0.00 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 2kvr s ILE 84 CO 0.00 -0.25 0.39 -0.13 0.00 0.00 0.00 174.94 174.95 2kvr s ARG 85 N 7.94 3.20 0.02 2.79 0.52 -0.91 -4.99 118.95 127.52 2kvr s ARG 85 Ca 0.89 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 55.14 2kvr s ARG 85 Cb -0.16 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 2kvr s ARG 85 CO 0.25 0.23 0.03 -0.51 0.02 0.00 0.00 175.30 175.32 2kvr s LEU 86 N -4.06 2.02 -0.17 2.53 1.43 -1.26 -0.83 118.68 118.34 2kvr s LEU 86 Ca 0.40 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2kvr s LEU 86 Cb -0.09 0.32 0.05 0.00 0.03 0.00 0.00 46.19 46.49 2kvr s LEU 86 CO 0.29 -0.36 -0.04 0.26 0.23 0.00 0.00 176.35 176.74 2kvr s TRP 87 N -1.70 1.62 0.72 0.29 0.52 -0.61 -1.67 118.94 118.10 2kvr s TRP 87 Ca -0.13 -1.07 -0.13 0.00 0.02 0.00 0.00 56.10 54.79 2kvr s TRP 87 Cb -0.07 -1.27 0.03 0.00 -1.15 0.00 0.00 33.47 31.00 2kvr s TRP 87 CO -0.01 -0.62 1.10 -1.25 0.02 0.00 0.00 176.95 176.19 2kvr s PRO 88 N 1.66 2.54 -0.97 4.98 0.04 -1.26 -1.01 135.00 140.97 2kvr s PRO 88 Ca -0.00 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 2kvr s PRO 88 Cb -0.16 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 32.26 2kvr s PRO 88 CO -0.07 -1.44 1.98 0.00 0.04 0.00 0.00 177.00 177.50 2kvr n MET 89 N -2.99 0.74 -3.97 4.56 0.00 -0.88 -4.86 117.12 109.74 2kvr n MET 89 Ca 0.10 -1.92 -0.35 0.00 0.00 0.00 0.00 57.70 55.53 2kvr n MET 89 Cb 0.53 -3.62 -0.13 0.00 0.00 0.00 0.00 33.22 29.99 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 7.33 3.58 -1.17 3.17 0.74 -1.26 -5.02 119.66 127.03 2kvr s GLN 90 Ca 0.74 -0.53 -0.23 0.00 0.05 0.00 0.00 55.36 55.38 2kvr s GLN 90 Cb 0.01 -3.12 -0.12 0.00 1.10 0.00 0.00 33.01 30.88 2kvr s GLN 90 CO 0.18 -0.08 1.97 0.00 -0.55 0.00 0.00 175.29 176.82 2kvr s ALA 91 N 1.24 1.52 -0.03 1.58 0.00 -1.26 -4.85 121.76 119.96 2kvr s ALA 91 Ca 0.04 -2.02 -0.02 0.00 0.00 0.00 0.00 51.96 49.96 2kvr s ALA 91 Cb -0.15 -4.68 0.02 0.00 0.00 0.00 0.00 23.12 18.31 2kvr s ALA 91 CO 0.01 -5.60 0.07 0.50 0.00 0.00 0.00 175.76 170.74 2kvr s ARG 92 N 6.88 0.05 -0.70 0.00 6.06 -1.26 -5.10 118.95 124.88 2kvr s ARG 92 Ca 0.71 0.15 -0.26 0.00 -2.50 0.00 0.00 55.73 53.83 2kvr s ARG 92 Cb -0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 34.95 34.91 2kvr s ARG 92 CO 0.14 -0.07 1.85 -1.12 -2.50 0.00 0.00 175.30 173.60 2kvr s SER 93 N 0.45 5.31 0.40 -2.12 0.01 -1.26 -4.98 113.70 111.51 2kvr s SER 93 Ca -0.03 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.00 2kvr s SER 93 Cb -0.05 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 2kvr s SER 93 CO -0.02 -2.43 1.07 0.21 0.41 0.00 0.00 173.24 172.49 2kvr s ASN 94 N 7.81 6.69 0.00 2.44 2.47 -1.26 -4.27 114.94 128.83 2kvr s ASN 94 Ca 0.66 2.10 0.00 0.00 0.42 0.00 0.00 52.86 56.04 2kvr s ASN 94 Cb -0.11 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2kvr s ASN 94 CO 0.14 -0.54 0.00 0.61 -3.72 0.00 0.00 177.10 173.59 2kvr n GLY 95 N 0.40 1.28 0.26 1.21 0.00 -1.26 -4.79 105.19 102.29 2kvr n GLY 95 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.20 2kvr n GLY 95 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kvr h THR 96 N 0.00 1.16 -0.62 2.61 2.02 -2.04 -2.49 112.91 113.54 2kvr h THR 96 Ca 0.00 -0.64 0.02 0.00 0.77 0.00 0.00 66.41 66.56 2kvr h THR 96 Cb 0.00 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 2kvr h THR 96 CO 0.00 0.21 0.41 0.50 0.37 0.00 0.00 175.52 177.01 2kvr h LYS 97 N 0.32 0.79 -4.91 6.66 3.11 -1.87 -3.48 116.57 117.19 2kvr h LYS 97 Ca 0.07 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2kvr h LYS 97 Cb 0.27 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2kvr h LYS 97 CO 0.01 0.52 -0.50 0.54 -2.81 0.00 0.00 179.45 177.21 2kvr n ARG 98 N -4.45 -2.20 -1.71 1.90 5.12 -0.94 -5.07 116.66 109.31 2kvr n ARG 98 Ca 0.07 1.98 -0.29 0.00 -1.93 0.00 0.00 57.85 57.68 2kvr n ARG 98 Cb 0.07 -4.99 0.16 0.00 -1.16 0.00 0.00 32.46 26.54 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kvr s PRO 99 N -2.19 0.77 -0.01 5.56 0.05 -1.26 -5.06 135.00 132.86 2kvr s PRO 99 Ca 0.17 -0.09 0.03 0.00 0.05 0.00 0.00 61.00 61.16 2kvr s PRO 99 Cb -0.05 -1.83 -0.03 0.00 0.05 0.00 0.00 34.50 32.64 2kvr s PRO 99 CO 0.65 -2.38 -0.08 0.00 0.05 0.00 0.00 177.00 175.24 2kvr s ALA 100 N -3.56 2.94 0.89 8.56 0.00 -1.26 -5.07 121.76 124.26 2kvr s ALA 100 Ca 0.69 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 2kvr s ALA 100 Cb -0.09 -1.10 0.16 0.00 0.00 0.00 0.00 23.12 22.09 2kvr s ALA 100 CO 0.53 0.60 1.25 0.00 0.00 0.00 0.00 175.76 178.13 2kvr s MET 101 N -1.23 1.11 0.32 0.00 0.23 -1.26 -4.81 119.30 113.66 2kvr s MET 101 Ca 0.15 -0.34 -0.27 0.00 -1.03 0.00 0.00 55.69 54.20 2kvr s MET 101 Cb -0.11 -1.93 -0.09 0.00 -1.53 0.00 0.00 34.83 31.17 2kvr s MET 101 CO 0.05 -2.08 1.06 -0.51 -2.03 0.00 0.00 175.02 171.51 2kvr s LEU 102 N -5.72 4.41 0.20 0.18 2.01 -0.67 -4.99 118.68 114.10 2kvr s LEU 102 Ca 0.70 2.15 -0.30 0.00 0.01 0.00 0.00 54.13 56.69 2kvr s LEU 102 Cb -0.06 -3.83 -0.09 0.00 0.01 0.00 0.00 46.19 42.22 2kvr s LEU 102 CO 0.51 -0.24 1.39 -0.62 1.01 0.00 0.00 176.35 178.39 2kvr s ASP 103 N -1.16 6.78 0.36 2.29 2.15 -1.26 -4.60 116.67 121.22 2kvr s ASP 103 Ca 0.49 2.50 0.15 0.00 0.43 0.00 0.00 52.55 56.12 2kvr s ASP 103 Cb -0.28 -2.61 0.66 0.00 -0.30 0.00 0.00 42.92 40.39 2kvr s ASP 103 CO 0.35 -0.63 1.75 -1.13 -0.17 0.00 0.00 175.17 175.35 2kvr h ASN 104 N 5.62 0.00 0.00 -0.34 -0.73 -1.94 0.19 115.58 118.38 2kvr h ASN 104 Ca -0.44 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.73 2kvr h ASN 104 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 2kvr h ASN 104 CO 0.80 0.42 -0.01 -0.08 -0.37 0.00 0.00 177.43 178.20 2kvr h GLU 105 N 0.00 0.00 0.78 6.67 4.81 -1.96 -3.26 114.58 121.61 2kvr h GLU 105 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kvr h GLU 105 Cb 0.83 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.22 2kvr h GLU 105 CO 0.06 0.00 -0.37 0.00 -0.73 0.00 0.00 179.01 177.96 2kvr h ALA 106 N -1.24 -1.17 -0.52 2.92 0.00 -1.88 -2.45 119.26 114.91 2kvr h ALA 106 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.37 2kvr h ALA 106 Cb 0.01 0.40 -0.16 0.00 0.00 0.00 0.00 17.79 18.04 2kvr h ALA 106 CO 0.00 -1.10 0.40 -0.25 0.00 0.00 0.00 179.25 178.30 2kvr n ASP 107 N -5.07 4.92 0.00 0.00 8.00 0.05 -2.49 116.55 121.96 2kvr n ASP 107 Ca -0.13 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.40 2kvr n ASP 107 Cb 0.41 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2kvr n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kvr n GLY 108 N -0.07 0.00 0.12 0.44 0.00 -1.21 -4.77 105.19 99.71 2kvr n GLY 108 Ca 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 2kvr n GLY 108 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kvr n ASN 109 N -0.87 1.57 -3.73 1.61 2.85 -0.93 -0.61 115.26 115.15 2kvr n ASN 109 Ca 0.00 0.18 -0.14 0.00 -0.11 0.00 0.00 54.58 54.50 2kvr n ASN 109 Cb 0.12 -0.39 0.07 0.00 1.24 0.00 0.00 39.78 40.82 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2kvr n LYS 110 N -3.26 0.30 -2.40 1.20 -0.00 -1.18 -4.62 118.16 108.20 2kvr n LYS 110 Ca -0.31 -1.84 -0.35 0.00 -0.00 0.00 0.00 58.31 55.81 2kvr n LYS 110 Cb 1.05 -0.36 -0.02 0.00 -0.00 0.00 0.00 35.03 35.70 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 -1.78 3.46 -2.03 0.58 -4.23 -1.26 -0.83 115.64 109.55 2kvr s THR 111 Ca 0.42 0.96 0.30 0.00 -1.18 0.00 0.00 61.69 62.19 2kvr s THR 111 Cb -0.03 -3.41 0.85 0.00 1.34 0.00 0.00 72.50 71.25 2kvr s THR 111 CO 0.28 -0.15 2.15 1.15 -0.54 0.00 0.00 174.62 177.50 2kvr n MET 112 N -0.93 1.04 0.10 3.99 0.00 -0.88 -3.13 117.12 117.32 2kvr n MET 112 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 57.70 57.70 2kvr n MET 112 Cb 0.51 -1.48 0.16 0.00 0.00 0.00 0.00 33.22 32.41 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 0.13 1.39 0.00 3.17 6.09 -1.72 -1.01 117.51 125.56 2kvr h ILE 113 Ca 0.00 -1.93 -0.04 0.00 -1.37 0.00 0.00 64.86 61.52 2kvr h ILE 113 Cb 0.03 1.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 2kvr h ILE 113 CO 0.00 0.57 -0.19 -0.33 -3.07 0.00 0.00 178.15 175.13 2kvr h GLU 114 N 0.12 0.00 0.02 2.19 5.08 -1.85 -0.60 114.58 119.54 2kvr h GLU 114 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 2kvr h GLU 114 Cb 1.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2kvr h GLU 114 CO 0.08 0.19 -1.43 1.28 -1.00 0.00 0.00 179.01 178.13 2kvr n LEU 115 N -3.49 1.98 -0.02 1.33 4.77 -1.15 -4.52 117.00 115.91 2kvr n LEU 115 Ca -0.01 0.39 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 2kvr n LEU 115 Cb 0.35 -0.98 0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2kvr n LEU 115 CO 0.32 0.38 0.57 0.77 -1.33 0.00 0.00 177.39 178.10 2kvr h SER 116 N -0.84 0.64 -2.32 -1.43 4.64 -1.10 -3.48 113.55 109.67 2kvr h SER 116 Ca -0.38 -0.29 -0.24 0.00 -0.47 0.00 0.00 61.79 60.41 2kvr h SER 116 Cb 1.43 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2kvr h SER 116 CO -0.17 0.98 -0.34 -0.67 -0.87 0.00 0.00 176.83 175.76 2kvr n ASP 117 N -4.02 -4.07 0.00 4.97 2.03 -0.24 -2.31 116.55 112.91 2kvr n ASP 117 Ca -0.02 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2kvr n ASP 117 Cb 0.53 -3.10 0.00 0.00 -0.72 0.00 0.00 41.12 37.83 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 -0.55 -4.08 -4.73 1.67 3.02 -1.26 -5.01 115.26 104.33 2kvr n ASN 118 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 2kvr n ASN 118 Cb 0.59 -1.82 -0.04 0.00 -0.61 0.00 0.00 39.78 37.90 2kvr n ASN 118 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kvr s GLU 119 N -0.88 4.64 -0.19 3.52 2.56 -0.98 -5.05 118.70 122.32 2kvr s GLU 119 Ca 0.00 1.51 -0.10 0.00 0.00 0.00 0.00 54.97 56.38 2kvr s GLU 119 Cb 0.00 -3.37 0.06 0.00 2.00 0.00 0.00 34.13 32.82 2kvr s GLU 119 CO 0.00 0.12 0.46 0.54 -0.56 0.00 0.00 175.26 175.81 2kvr s ASN 120 N 0.23 -0.58 -0.06 -1.70 2.20 -1.26 -3.56 114.94 110.20 2kvr s ASN 120 Ca 0.49 1.01 -0.30 0.00 -0.94 0.00 0.00 52.86 53.12 2kvr s ASN 120 Cb -0.24 0.92 -0.03 0.00 -2.00 0.00 0.00 41.25 39.90 2kvr s ASN 120 CO 0.30 -0.20 1.21 -2.16 -2.94 0.00 0.00 177.10 173.31 2kvr s PRO 121 N 1.53 4.34 -0.43 3.55 0.04 -1.26 -4.93 135.00 137.85 2kvr s PRO 121 Ca -0.09 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 2kvr s PRO 121 Cb -0.08 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.90 2kvr s PRO 121 CO -0.14 -0.47 1.37 -0.46 0.04 0.00 0.00 177.00 177.34 2kvr s TRP 122 N 2.34 2.46 -0.18 0.56 -0.00 -0.54 -4.61 118.94 118.97 2kvr s TRP 122 Ca 0.56 0.67 -0.29 0.00 -0.00 0.00 0.00 56.10 57.04 2kvr s TRP 122 Cb -0.24 -4.34 -0.00 0.00 -0.00 0.00 0.00 33.47 28.88 2kvr s TRP 122 CO 0.21 -1.87 1.13 0.99 -0.00 0.00 0.00 176.95 177.41 2kvr s THR 123 N 5.31 4.51 0.06 5.86 2.01 -1.26 -1.04 115.64 131.09 2kvr s THR 123 Ca 0.59 1.82 -0.06 0.00 0.31 0.00 0.00 61.69 64.35 2kvr s THR 123 Cb -0.12 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2kvr s THR 123 CO 0.32 -0.13 0.12 -0.51 -0.69 0.00 0.00 174.62 173.73 2kvr s ILE 124 N 3.11 0.15 -0.08 1.82 2.07 -0.12 -2.06 121.20 126.09 2kvr s ILE 124 Ca 0.49 -1.22 -0.02 0.00 -1.41 0.00 0.00 60.65 58.49 2kvr s ILE 124 Cb -0.18 -1.14 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 2kvr s ILE 124 CO 0.11 -0.67 0.02 -0.36 -1.91 0.00 0.00 174.94 172.14 2kvr s PHE 125 N -3.22 3.22 -0.01 3.50 0.40 -0.18 -3.37 117.98 118.32 2kvr s PHE 125 Ca 0.00 0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 56.36 2kvr s PHE 125 Cb 0.02 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 2kvr s PHE 125 CO -0.07 0.51 0.59 -1.17 0.70 0.00 0.00 175.22 175.78 2kvr s LEU 126 N -0.98 4.40 -0.03 -0.37 0.20 -0.57 -1.58 118.68 119.76 2kvr s LEU 126 Ca 0.14 1.14 0.07 0.00 0.69 0.00 0.00 54.13 56.17 2kvr s LEU 126 Cb -0.11 -2.92 -0.02 0.00 -0.43 0.00 0.00 46.19 42.71 2kvr s LEU 126 CO 0.03 0.08 -0.24 -0.70 -0.29 0.00 0.00 176.35 175.24 2kvr s GLU 127 N -0.09 2.20 0.00 1.98 2.56 -0.01 -4.76 118.70 120.58 2kvr s GLU 127 Ca 0.31 -0.88 0.26 0.00 0.00 0.00 0.00 54.97 54.66 2kvr s GLU 127 Cb -0.18 -2.11 0.57 0.00 2.00 0.00 0.00 34.13 34.41 2kvr s GLU 127 CO 0.17 0.57 1.48 2.41 -0.56 0.00 0.00 175.26 179.32