#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 0.19 0.12 0.54 -0.00 -1.26 -3.08 117.38 113.89 2kvr n GLN 2 Ca 0.00 0.09 -0.13 0.00 -0.00 0.00 0.00 57.00 56.96 2kvr n GLN 2 Cb 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 30.24 28.67 2kvr n GLN 2 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2kvr h GLN 3 N 0.00 -0.26 -0.02 2.61 4.15 -2.05 -2.52 115.11 117.01 2kvr h GLN 3 Ca 0.00 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 2kvr h GLN 3 Cb 0.28 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2kvr h GLN 3 CO 0.00 -0.17 -0.37 -0.07 -1.93 0.00 0.00 178.83 176.29 2kvr h LEU 4 N -0.27 0.04 0.09 -2.39 3.38 -1.99 -1.29 115.31 112.87 2kvr h LEU 4 Ca -0.01 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2kvr h LEU 4 Cb 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2kvr h LEU 4 CO 0.00 0.40 -1.32 1.62 0.09 0.00 0.00 178.44 179.24 2kvr h VAL 5 N 0.03 1.38 0.35 1.22 3.04 -1.76 -3.22 116.25 117.30 2kvr h VAL 5 Ca 0.00 -3.03 -0.02 0.00 -1.01 0.00 0.00 66.70 62.65 2kvr h VAL 5 Cb 0.67 2.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.78 2kvr h VAL 5 CO 0.05 0.86 -0.17 -0.08 -1.01 0.00 0.00 177.57 177.22 2kvr h GLU 6 N 0.05 -0.46 -0.78 4.17 4.57 -0.85 -2.58 114.58 118.70 2kvr h GLU 6 Ca -0.16 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.15 2kvr h GLU 6 Cb 1.95 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 30.59 2kvr h GLU 6 CO 0.17 -0.14 0.51 0.07 -1.18 0.00 0.00 179.01 178.44 2kvr h ARG 7 N -0.82 0.71 -0.53 1.92 0.11 -1.47 -2.91 114.38 111.38 2kvr h ARG 7 Ca -0.05 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 2kvr h ARG 7 Cb 0.53 -0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.42 2kvr h ARG 7 CO 0.08 0.47 0.21 1.25 0.10 0.00 0.00 179.97 182.08 2kvr h LEU 8 N 0.73 0.74 -0.61 0.08 5.85 -1.52 -2.25 115.31 118.32 2kvr h LEU 8 Ca 0.36 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2kvr h LEU 8 Cb 0.42 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2kvr h LEU 8 CO -0.13 0.70 0.37 1.56 -0.34 0.00 0.00 178.44 180.60 2kvr h GLN 9 N 0.72 0.72 0.00 1.25 4.20 -1.26 0.25 115.11 120.99 2kvr h GLN 9 Ca 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2kvr h GLN 9 Cb 0.20 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2kvr h GLN 9 CO -0.01 0.48 -0.17 1.49 -0.67 0.00 0.00 178.83 179.94 2kvr h GLU 10 N 0.74 0.00 0.00 1.46 4.81 -1.42 -2.46 114.58 117.71 2kvr h GLU 10 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2kvr h GLU 10 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kvr h GLU 10 CO -0.10 0.17 -0.26 0.93 -0.73 0.00 0.00 179.01 179.03 2kvr h GLU 11 N 0.00 0.00 0.00 1.92 5.08 -0.99 -3.41 114.58 117.19 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 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kvr h GLU 11 CO 0.02 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 178.39 2kvr n LYS 12 N -3.80 0.13 -0.02 2.33 2.85 0.04 -2.14 118.16 117.56 2kvr n LYS 12 Ca -0.04 0.62 0.23 0.00 -1.05 0.00 0.00 58.31 58.07 2kvr n LYS 12 Cb 0.13 -1.93 0.72 0.00 -0.65 0.00 0.00 35.03 33.31 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 0.11 -1.66 -2.22 114.38 109.03 2kvr h ARG 13 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2kvr h ARG 13 Cb 0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2kvr h ARG 13 CO 0.00 0.00 -0.08 -0.84 0.10 0.00 0.00 179.97 179.15 2kvr h ILE 14 N 0.00 1.02 -0.19 0.08 -2.65 -1.74 -2.78 117.51 111.25 2kvr h ILE 14 Ca 0.29 -0.26 0.06 0.00 1.03 0.00 0.00 64.86 65.97 2kvr h ILE 14 Cb 1.32 1.14 -0.01 0.00 -2.05 0.00 0.00 36.82 37.22 2kvr h ILE 14 CO -0.00 0.07 0.16 -0.33 0.03 0.00 0.00 178.15 178.08 2kvr h GLU 15 N 0.00 0.00 0.00 0.16 4.39 -1.67 0.33 114.58 117.79 2kvr h GLU 15 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kvr h GLU 15 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2kvr h GLU 15 CO 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.84 2kvr h ALA 16 N 1.86 1.11 0.00 3.43 0.00 -1.70 -1.70 119.26 122.27 2kvr h ALA 16 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kvr h ALA 16 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kvr h ALA 16 CO -0.00 0.02 -0.39 1.04 0.00 0.00 0.00 179.25 179.92 2kvr n GLN 17 N -3.27 3.78 -0.05 0.00 6.02 -0.25 -4.82 117.38 118.78 2kvr n GLN 17 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.76 2kvr n GLN 17 Cb 0.14 -0.66 -0.13 0.00 1.02 0.00 0.00 30.24 30.61 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2kvr h LYS 18 N 0.00 0.11 -0.04 -1.09 1.63 -0.28 -3.38 116.57 113.51 2kvr h LYS 18 Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2kvr h LYS 18 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2kvr h LYS 18 CO 0.00 1.09 0.00 -2.13 -3.45 0.00 0.00 179.45 174.96 2kvr n ARG 19 N -4.19 0.91 -2.29 1.90 0.63 -0.65 -4.50 116.66 108.47 2kvr n ARG 19 Ca -0.27 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.33 2kvr n ARG 19 Cb 0.77 -1.02 -0.04 0.00 0.45 0.00 0.00 32.46 32.61 2kvr n ARG 19 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2kvr s LYS 20 N -1.95 3.06 0.00 -0.14 2.47 -1.26 -4.84 119.74 117.08 2kvr s LYS 20 Ca 0.00 -0.77 0.00 0.00 -1.56 0.00 0.00 55.97 53.64 2kvr s LYS 20 Cb 0.00 -5.22 0.00 0.00 -1.46 0.00 0.00 37.83 31.15 2kvr s LYS 20 CO 0.00 -2.87 0.00 -0.85 0.16 0.00 0.00 175.35 171.79 2kvr n GLU 21 N 8.82 0.00 0.00 4.03 -0.00 -1.26 -5.15 120.64 127.08 2kvr n GLU 21 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.54 2kvr n GLU 21 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.93 2kvr n GLU 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2kvr n ARG 22 N 0.00 0.00 0.00 3.44 3.00 -1.26 -5.16 116.66 116.68 2kvr n ARG 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2kvr n ARG 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2kvr n ARG 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2kvr n GLN 23 N -1.60 4.00 -1.85 -0.14 3.00 -1.26 -5.11 117.38 114.42 2kvr n GLN 23 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2kvr n GLN 23 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 2kvr n GLN 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2kvr s GLU 24 N 1.53 4.15 0.00 -1.09 4.04 -1.26 -5.00 118.70 121.08 2kvr s GLU 24 Ca 0.00 2.51 0.00 0.00 0.04 0.00 0.00 54.97 57.52 2kvr s GLU 24 Cb 0.00 -3.01 0.00 0.00 0.02 0.00 0.00 34.13 31.14 2kvr s GLU 24 CO 0.00 -0.52 0.00 0.00 -1.84 0.00 0.00 175.26 172.90 2kvr n ALA 25 N 1.27 0.00 0.25 -0.84 0.00 -1.26 -5.03 120.51 114.90 2kvr n ALA 25 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 2kvr n ALA 25 Cb 0.39 0.00 0.13 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 1.37 0.00 1.44 -1.26 -3.40 115.22 113.38 2kvr n HIS 26 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 2kvr n HIS 26 Cb 0.00 -0.17 0.24 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.17 0.00 -0.85 2.39 7.99 -1.26 -4.43 117.00 119.67 2kvr n LEU 27 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2kvr n LEU 27 Cb 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2kvr n LEU 27 CO 0.03 0.00 0.00 -1.22 -1.51 0.00 0.00 177.39 174.69 2kvr n TYR 28 N -0.68 0.00 -1.25 -1.77 4.01 -1.22 -1.07 117.16 115.18 2kvr n TYR 28 Ca 0.06 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.36 2kvr n TYR 28 Cb 0.03 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 38.96 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 0.81 0.00 -2.98 -0.72 0.00 0.01 -2.46 117.12 111.78 2kvr n MET 29 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 2kvr n MET 29 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 33.22 32.17 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 -0.65 4.49 -0.11 3.17 1.11 -1.26 -1.11 119.66 125.30 2kvr s GLN 30 Ca 0.62 1.11 -0.01 0.00 0.01 0.00 0.00 55.36 57.09 2kvr s GLN 30 Cb -0.89 -3.08 0.04 0.00 -1.01 0.00 0.00 33.01 28.06 2kvr s GLN 30 CO 0.49 0.48 -0.01 0.54 0.01 0.00 0.00 175.29 176.80 2kvr s VAL 31 N -1.33 0.56 -0.48 1.09 0.11 -0.39 -2.34 120.40 117.62 2kvr s VAL 31 Ca 0.40 -0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 2kvr s VAL 31 Cb -0.21 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2kvr s VAL 31 CO 0.25 0.16 0.98 -1.10 -3.33 0.00 0.00 175.10 172.05 2kvr s GLN 32 N 1.88 3.53 -0.02 1.54 -0.21 0.02 -2.03 119.66 124.37 2kvr s GLN 32 Ca 0.03 0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.62 2kvr s GLN 32 Cb -0.14 -3.95 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 2kvr s GLN 32 CO -0.06 -1.31 -0.08 0.42 -2.12 0.00 0.00 175.29 172.14 2kvr s ILE 33 N 3.97 3.60 -0.00 1.08 -1.09 -0.37 -1.36 121.20 127.03 2kvr s ILE 33 Ca 0.38 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2kvr s ILE 33 Cb -0.10 -2.52 -0.00 0.00 -1.58 0.00 0.00 42.46 38.26 2kvr s ILE 33 CO 0.26 0.47 -0.03 0.68 -1.23 0.00 0.00 174.94 175.10 2kvr s VAL 34 N -0.92 0.21 0.32 2.92 -7.23 -1.15 -1.74 120.40 112.81 2kvr s VAL 34 Ca 0.15 -0.14 0.09 0.00 -1.81 0.00 0.00 61.98 60.26 2kvr s VAL 34 Cb -0.11 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 2kvr s VAL 34 CO 0.05 0.04 0.07 0.00 -0.31 0.00 0.00 175.10 174.95 2kvr s ALA 35 N -0.11 3.34 -0.19 1.32 0.00 -1.26 -2.02 121.76 122.84 2kvr s ALA 35 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.13 2kvr s ALA 35 Cb -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.52 2kvr s ALA 35 CO -0.00 0.09 -0.03 -2.00 0.00 0.00 0.00 175.76 173.83 2kvr s GLU 36 N -3.77 1.22 0.29 0.00 2.56 -1.10 -4.37 118.70 113.53 2kvr s GLU 36 Ca 0.35 -0.57 0.02 0.00 0.00 0.00 0.00 54.97 54.77 2kvr s GLU 36 Cb -0.03 -2.13 0.56 0.00 2.00 0.00 0.00 34.13 34.54 2kvr s GLU 36 CO 0.21 -0.52 1.85 0.38 -0.56 0.00 0.00 175.26 176.62 2kvr h ASP 37 N 8.12 0.91 0.74 -1.70 2.03 -1.79 -3.20 116.42 121.53 2kvr h ASP 37 Ca -0.20 0.04 -0.04 0.00 -0.73 0.00 0.00 57.03 56.10 2kvr h ASP 37 Cb 1.11 -0.14 0.01 0.00 -0.83 0.00 0.00 39.33 39.47 2kvr h ASP 37 CO 0.38 0.50 -0.35 1.56 -1.03 0.00 0.00 179.24 180.30 2kvr h GLN 38 N 0.99 -0.95 -0.07 4.15 1.08 -1.85 -0.31 115.11 118.15 2kvr h GLN 38 Ca 0.48 0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.63 2kvr h GLN 38 Cb 0.46 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2kvr h GLN 38 CO -0.24 -0.63 -0.47 0.27 -0.95 0.00 0.00 178.83 176.80 2kvr h PHE 39 N -1.17 0.21 0.00 2.96 -0.00 -1.93 -3.01 116.94 114.01 2kvr h PHE 39 Ca -0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.97 57.77 2kvr h PHE 39 Cb 0.76 -0.04 -0.00 0.00 -0.00 0.00 0.00 35.95 36.66 2kvr h PHE 39 CO 0.02 0.62 -0.15 0.00 -0.00 0.00 0.00 178.31 178.80 2kvr n GLY 41 N 1.04 -1.37 2.00 0.00 0.00 -0.19 -5.08 105.19 101.58 2kvr n GLY 41 Ca 0.03 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.67 2kvr n GLY 41 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kvr n HIS 42 N 0.00 -0.64 -1.70 1.61 8.25 -0.79 -4.71 115.22 117.22 2kvr n HIS 42 Ca 0.00 -1.65 -0.43 0.00 -0.26 0.00 0.00 57.72 55.38 2kvr n HIS 42 Cb 0.00 0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 2kvr n HIS 42 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kvr n GLN 43 N -0.38 2.36 0.00 -0.41 3.00 -1.26 -3.99 117.38 116.70 2kvr n GLN 43 Ca 0.04 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 2kvr n GLN 43 Cb 0.37 -2.57 0.00 0.00 0.00 0.00 0.00 30.24 28.04 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kvr n GLY 44 N 2.38 -3.22 2.01 1.08 0.00 -1.26 -4.91 105.19 101.26 2kvr n GLY 44 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.72 -0.16 0.00 1.61 3.02 -1.26 -5.04 115.26 112.70 2kvr n ASN 45 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2kvr n ASN 45 Cb 0.00 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 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 -2.75 0.00 0.00 6.41 2.03 -1.26 -5.09 116.55 115.89 2kvr n ASP 46 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kvr n ASP 46 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kvr n ASP 46 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2kvr n MET 47 N 0.00 0.00 -2.76 -0.67 2.81 -1.26 -4.98 117.12 110.26 2kvr n MET 47 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 2kvr n MET 47 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 2kvr n MET 47 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2kvr s TYR 48 N 0.00 2.70 -0.41 2.03 6.14 -1.26 -4.97 117.35 121.58 2kvr s TYR 48 Ca 0.00 -0.75 -0.07 0.00 0.64 0.00 0.00 57.07 56.89 2kvr s TYR 48 Cb 0.00 -4.43 0.09 0.00 0.42 0.00 0.00 41.96 38.04 2kvr s TYR 48 CO 0.00 -1.74 0.23 -0.51 0.64 0.00 0.00 175.55 174.17 2kvr s ASP 49 N 3.94 5.46 0.36 4.32 1.01 -1.26 -4.82 116.67 125.68 2kvr s ASP 49 Ca 0.32 -1.68 0.27 0.00 0.71 0.00 0.00 52.55 52.17 2kvr s ASP 49 Cb -0.09 -1.92 1.18 0.00 1.01 0.00 0.00 42.92 43.10 2kvr s ASP 49 CO 0.02 -0.53 1.81 -0.33 0.21 0.00 0.00 175.17 176.35 2kvr h GLU 50 N 8.27 0.00 -0.03 8.23 5.08 -1.97 0.36 114.58 134.53 2kvr h GLU 50 Ca -0.20 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 2kvr h GLU 50 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kvr h GLU 50 CO 0.73 0.00 -0.54 0.93 -1.00 0.00 0.00 179.01 179.13 2kvr h GLU 51 N 0.00 0.07 -0.16 2.33 4.39 -1.93 -3.37 114.58 115.91 2kvr h GLU 51 Ca 0.00 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.45 2kvr h GLU 51 Cb 0.35 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 28.62 2kvr h GLU 51 CO 0.00 0.59 -1.03 1.17 -1.16 0.00 0.00 179.01 178.58 2kvr n LYS 52 N -3.91 0.76 -1.93 2.33 3.00 -0.19 -2.72 118.16 115.51 2kvr n LYS 52 Ca -0.02 -2.63 -0.37 0.00 -0.00 0.00 0.00 58.31 55.30 2kvr n LYS 52 Cb 0.55 -0.68 0.04 0.00 0.00 0.00 0.00 35.03 34.94 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 -1.56 2.42 0.89 3.15 -7.23 0.11 -4.84 120.40 113.34 2kvr s VAL 53 Ca 0.32 0.28 -0.10 0.00 -1.81 0.00 0.00 61.98 60.67 2kvr s VAL 53 Cb 0.37 -3.12 0.13 0.00 0.56 0.00 0.00 36.38 34.31 2kvr s VAL 53 CO -0.12 -0.04 1.12 -0.54 -0.31 0.00 0.00 175.10 175.21 2kvr s LYS 54 N -3.18 1.21 -0.96 4.82 3.01 -1.26 -4.65 119.74 118.73 2kvr s LYS 54 Ca 0.76 1.34 -0.21 0.00 -1.01 0.00 0.00 55.97 56.85 2kvr s LYS 54 Cb -0.34 -1.76 -0.26 0.00 -1.01 0.00 0.00 37.83 34.46 2kvr s LYS 54 CO 0.38 -2.43 2.43 0.66 0.51 0.00 0.00 175.35 176.90 2kvr n TYR 55 N -4.08 0.40 -2.45 3.18 4.01 -1.26 -4.82 117.16 112.14 2kvr n TYR 55 Ca 0.10 0.18 -0.43 0.00 -0.16 0.00 0.00 57.90 57.59 2kvr n TYR 55 Cb 0.53 -1.60 -0.02 0.00 -0.31 0.00 0.00 39.34 37.93 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 5.64 4.30 -0.50 -0.72 -1.32 -0.71 -4.83 115.64 117.51 2kvr s THR 56 Ca 1.30 1.54 -0.11 0.00 -1.21 0.00 0.00 61.69 63.21 2kvr s THR 56 Cb -0.96 -4.08 0.12 0.00 -1.51 0.00 0.00 72.50 66.07 2kvr s THR 56 CO 0.49 -0.23 0.39 0.54 -2.21 0.00 0.00 174.62 173.60 2kvr s VAL 57 N 3.69 4.47 -0.29 5.08 0.11 -1.26 -1.24 120.40 130.96 2kvr s VAL 57 Ca 0.54 -1.75 -0.18 0.00 -2.93 0.00 0.00 61.98 57.65 2kvr s VAL 57 Cb -0.19 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 30.72 2kvr s VAL 57 CO 0.16 -0.81 0.54 -0.36 -3.33 0.00 0.00 175.10 171.30 2kvr s PHE 58 N 1.38 3.23 -0.52 1.54 0.08 -0.86 -4.85 117.98 117.98 2kvr s PHE 58 Ca 0.05 0.52 -0.26 0.00 0.12 0.00 0.00 56.93 57.36 2kvr s PHE 58 Cb -0.27 -2.82 0.03 0.00 -0.57 0.00 0.00 43.02 39.39 2kvr s PHE 58 CO -0.00 -0.38 1.03 -1.59 -0.10 0.00 0.00 175.22 174.18 2kvr s LYS 59 N 2.39 3.51 0.06 0.44 0.00 -1.26 -1.26 119.74 123.62 2kvr s LYS 59 Ca 0.21 0.14 0.04 0.00 0.00 0.00 0.00 55.97 56.37 2kvr s LYS 59 Cb -0.15 -3.98 -0.03 0.00 0.00 0.00 0.00 37.83 33.67 2kvr s LYS 59 CO 0.11 -1.43 -0.12 0.14 0.00 0.00 0.00 175.35 174.05 2kvr s VAL 60 N 4.21 0.91 -0.20 1.79 -7.23 -0.26 -4.87 120.40 114.74 2kvr s VAL 60 Ca 0.39 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2kvr s VAL 60 Cb -0.10 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2kvr s VAL 60 CO 0.25 -0.25 1.42 -0.76 -0.31 0.00 0.00 175.10 175.45 2kvr s LEU 61 N -1.60 4.05 0.35 1.32 1.43 -1.25 -0.81 118.68 122.17 2kvr s LEU 61 Ca -0.04 1.62 0.09 0.00 -1.03 0.00 0.00 54.13 54.77 2kvr s LEU 61 Cb -0.10 -3.54 0.65 0.00 0.03 0.00 0.00 46.19 43.24 2kvr s LEU 61 CO 0.02 -1.00 1.82 0.07 0.23 0.00 0.00 176.35 177.48 2kvr h LYS 62 N 9.33 0.17 0.00 1.70 2.10 -1.45 -2.30 116.57 126.12 2kvr h LYS 62 Ca -0.30 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2kvr h LYS 62 Cb 1.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2kvr h LYS 62 CO 0.99 0.46 0.00 0.27 -2.00 0.00 0.00 179.45 179.17 2kvr n ASN 63 N -4.14 0.00 -4.87 7.07 6.94 -1.26 -1.94 115.26 117.06 2kvr n ASN 63 Ca -0.01 0.29 -0.30 0.00 -0.02 0.00 0.00 54.58 54.54 2kvr n ASN 63 Cb 0.38 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.36 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2kvr s SER 64 N -2.85 6.46 0.78 0.53 0.01 -0.87 -4.92 113.70 112.84 2kvr s SER 64 Ca 0.16 1.25 -0.12 0.00 1.31 0.00 0.00 55.95 58.55 2kvr s SER 64 Cb 0.16 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 64.08 2kvr s SER 64 CO 0.43 -0.55 1.13 -0.94 0.41 0.00 0.00 173.24 173.72 2kvr s SER 65 N -3.46 4.17 0.41 2.44 1.04 -1.26 -1.98 113.70 115.06 2kvr s SER 65 Ca 0.53 2.06 0.20 0.00 0.48 0.00 0.00 55.95 59.22 2kvr s SER 65 Cb -0.10 -2.55 0.86 0.00 0.10 0.00 0.00 66.02 64.33 2kvr s SER 65 CO 0.37 -2.26 1.82 0.25 0.98 0.00 0.00 173.24 174.40 2kvr h LEU 66 N -0.90 0.00 -1.86 2.42 7.12 -1.26 -2.16 115.31 118.67 2kvr h LEU 66 Ca -0.45 0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.69 2kvr h LEU 66 Cb 1.26 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.36 2kvr h LEU 66 CO 0.49 0.31 0.36 0.00 -0.13 0.00 0.00 178.44 179.47 2kvr h ALA 67 N 1.69 2.28 -0.35 1.25 0.00 -1.80 -0.98 119.26 121.37 2kvr h ALA 67 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2kvr h ALA 67 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kvr h ALA 67 CO 0.04 -0.42 -0.14 0.93 0.00 0.00 0.00 179.25 179.66 2kvr h GLU 68 N 0.16 0.71 -0.40 0.00 4.39 -1.75 -1.60 114.58 116.08 2kvr h GLU 68 Ca 0.25 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kvr h GLU 68 Cb 0.77 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 2kvr h GLU 68 CO -0.04 0.90 0.26 0.35 -1.16 0.00 0.00 179.01 179.33 2kvr h PHE 69 N 0.49 0.51 0.22 4.33 3.57 -1.36 -2.54 116.94 122.15 2kvr h PHE 69 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2kvr h PHE 69 Cb 0.67 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2kvr h PHE 69 CO 0.06 0.33 -0.11 0.28 -2.23 0.00 0.00 178.31 176.64 2kvr h VAL 70 N 0.55 0.84 -0.27 1.41 2.07 -1.16 -2.60 116.25 117.08 2kvr h VAL 70 Ca 0.15 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2kvr h VAL 70 Cb -0.05 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2kvr h VAL 70 CO -0.03 0.08 0.03 0.06 0.02 0.00 0.00 177.57 177.73 2kvr h GLN 71 N -0.47 0.40 0.40 1.57 3.07 -1.30 0.47 115.11 119.26 2kvr h GLN 71 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 2kvr h GLN 71 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.85 2kvr h GLN 71 CO 0.05 0.40 -0.19 0.77 0.09 0.00 0.00 178.83 179.94 2kvr h SER 72 N 0.39 -0.46 0.26 0.06 0.02 -1.42 -2.47 113.55 109.93 2kvr h SER 72 Ca 0.09 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2kvr h SER 72 Cb 0.21 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2kvr h SER 72 CO 0.00 -0.17 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.29 2kvr h LEU 73 N -0.76 0.00 -0.18 5.07 4.07 -1.12 -0.93 115.31 121.46 2kvr h LEU 73 Ca -0.06 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 2kvr h LEU 73 Cb 0.52 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 2kvr h LEU 73 CO 0.09 0.16 -0.08 -1.28 -1.08 0.00 0.00 178.44 176.25 2kvr h SER 74 N 0.00 0.37 1.07 -0.43 0.87 -0.88 -2.68 113.55 111.88 2kvr h SER 74 Ca -0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2kvr h SER 74 Cb 0.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kvr h SER 74 CO 0.02 0.69 -0.68 1.56 -0.53 0.00 0.00 176.83 177.89 2kvr h GLN 75 N 0.05 0.00 0.00 2.24 1.08 -0.99 -0.57 115.11 116.91 2kvr h GLN 75 Ca 0.04 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 2kvr h GLN 75 Cb 0.55 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2kvr h GLN 75 CO 0.02 0.00 -1.55 -2.37 -0.95 0.00 0.00 178.83 173.98 2kvr n THR 76 N -2.46 0.79 -0.03 -0.54 5.66 -0.40 -4.61 114.28 112.71 2kvr n THR 76 Ca 0.02 -0.63 -0.03 0.00 -3.05 0.00 0.00 64.05 60.36 2kvr n THR 76 Cb 0.49 -0.43 -0.03 0.00 -1.55 0.00 0.00 70.33 68.81 2kvr n THR 76 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kvr n MET 77 N -2.67 1.09 0.00 1.09 2.81 -1.01 -5.05 117.12 113.37 2kvr n MET 77 Ca -0.09 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2kvr n MET 77 Cb 0.74 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 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 3.09 1.00 3.77 3.03 0.00 -0.23 -4.90 105.19 110.96 2kvr n GLY 78 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 3.24 -0.06 1.61 0.40 -1.21 -4.99 117.98 114.97 2kvr s PHE 79 Ca 0.00 1.52 -0.30 0.00 -0.60 0.00 0.00 56.93 57.56 2kvr s PHE 79 Cb 0.00 -3.52 -0.05 0.00 0.51 0.00 0.00 43.02 39.96 2kvr s PHE 79 CO 0.00 -1.36 1.47 -1.25 0.70 0.00 0.00 175.22 174.78 2kvr s PRO 80 N -1.70 4.23 0.53 0.24 0.04 -1.26 -4.34 135.00 132.74 2kvr s PRO 80 Ca 0.48 1.99 0.34 0.00 0.04 0.00 0.00 61.00 63.85 2kvr s PRO 80 Cb -0.36 -3.78 1.44 0.00 0.04 0.00 0.00 34.50 31.83 2kvr s PRO 80 CO 0.48 -0.72 1.99 -0.56 0.04 0.00 0.00 177.00 178.23 2kvr h GLN 81 N 8.60 0.00 0.00 4.56 3.07 -1.92 0.19 115.11 129.61 2kvr h GLN 81 Ca -0.36 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.37 2kvr h GLN 81 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.72 2kvr h GLN 81 CO 0.94 0.00 -0.08 0.22 0.09 0.00 0.00 178.83 180.00 2kvr h ASP 82 N 0.00 0.00 0.00 0.06 3.58 -1.98 -3.35 116.42 114.73 2kvr h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kvr h ASP 82 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2kvr h ASP 82 CO 0.00 0.08 0.00 1.67 -2.88 0.00 0.00 179.24 178.11 2kvr n GLN 83 N -3.14 1.55 -1.60 0.28 7.27 -0.59 -5.06 117.38 116.10 2kvr n GLN 83 Ca 0.03 -0.22 -0.52 0.00 0.07 0.00 0.00 57.00 56.36 2kvr n GLN 83 Cb 0.49 -0.67 -0.06 0.00 2.41 0.00 0.00 30.24 32.41 2kvr n GLN 83 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2kvr n ILE 84 N -0.28 0.34 -4.13 1.69 5.41 0.55 -4.79 119.36 118.15 2kvr n ILE 84 Ca 0.00 -0.16 -0.34 0.00 1.00 0.00 0.00 62.75 63.25 2kvr n ILE 84 Cb 0.04 -1.60 -0.11 0.00 -0.71 0.00 0.00 39.64 37.27 2kvr n ILE 84 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2kvr s ARG 85 N 4.83 3.86 -0.21 0.38 0.52 -0.92 -5.01 118.95 122.40 2kvr s ARG 85 Ca 1.01 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.66 2kvr s ARG 85 Cb -0.87 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 2kvr s ARG 85 CO 0.55 0.24 0.38 -0.51 0.02 0.00 0.00 175.30 175.98 2kvr s LEU 86 N 0.43 4.15 -0.27 2.53 1.02 -1.26 -1.60 118.68 123.68 2kvr s LEU 86 Ca 0.01 0.49 0.02 0.00 0.02 0.00 0.00 54.13 54.66 2kvr s LEU 86 Cb -0.13 -2.49 0.07 0.00 0.02 0.00 0.00 46.19 43.66 2kvr s LEU 86 CO 0.01 -0.07 -0.06 0.26 0.02 0.00 0.00 176.35 176.51 2kvr s TRP 87 N 1.31 2.99 0.99 0.29 0.52 -0.98 -1.94 118.94 122.12 2kvr s TRP 87 Ca 0.18 -2.22 -0.12 0.00 0.02 0.00 0.00 56.10 53.97 2kvr s TRP 87 Cb -0.15 -1.96 0.19 0.00 -1.15 0.00 0.00 33.47 30.40 2kvr s TRP 87 CO 0.08 -0.86 1.08 -1.25 0.02 0.00 0.00 176.95 176.02 2kvr s PRO 88 N 1.19 0.45 -1.11 4.98 0.04 -1.26 -1.02 135.00 138.27 2kvr s PRO 88 Ca -0.04 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 61.73 2kvr s PRO 88 Cb -0.19 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2kvr s PRO 88 CO -0.07 -2.84 1.91 0.00 0.04 0.00 0.00 177.00 176.05 2kvr s MET 89 N -4.72 2.64 0.13 4.56 0.23 -0.99 -4.72 119.30 116.42 2kvr s MET 89 Ca 0.66 -0.99 -0.13 0.00 -1.03 0.00 0.00 55.69 54.20 2kvr s MET 89 Cb -0.21 -5.22 -0.07 0.00 -1.53 0.00 0.00 34.83 27.80 2kvr s MET 89 CO 0.60 -3.66 0.51 1.14 -2.03 0.00 0.00 175.02 171.58 2kvr s GLN 90 N 6.42 3.93 -0.94 3.16 0.00 -1.26 -5.02 119.66 125.95 2kvr s GLN 90 Ca 0.67 0.42 -0.24 0.00 -0.00 0.00 0.00 55.36 56.21 2kvr s GLN 90 Cb -0.02 -2.95 -0.03 0.00 0.00 0.00 0.00 33.01 30.01 2kvr s GLN 90 CO 0.08 0.50 1.86 0.00 0.00 0.00 0.00 175.29 177.74 2kvr s ALA 91 N -1.45 1.85 -1.12 2.60 0.00 -1.26 -4.89 121.76 117.50 2kvr s ALA 91 Ca 0.37 -1.68 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 2kvr s ALA 91 Cb -0.15 -4.56 -0.06 0.00 0.00 0.00 0.00 23.12 18.35 2kvr s ALA 91 CO 0.19 -4.63 1.93 0.54 0.00 0.00 0.00 175.76 173.79 2kvr n ARG 92 N 8.82 2.06 -4.15 0.00 1.74 -1.26 -3.89 116.66 119.98 2kvr n ARG 92 Ca 0.39 -2.45 -0.13 0.00 -0.77 0.00 0.00 57.85 54.89 2kvr n ARG 92 Cb 0.48 -3.37 -0.08 0.00 -1.02 0.00 0.00 32.46 28.47 2kvr n ARG 92 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2kvr s SER 93 N 5.12 0.41 0.02 0.55 0.01 -1.26 -4.95 113.70 113.61 2kvr s SER 93 Ca 0.59 -1.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 2kvr s SER 93 Cb 0.07 0.50 -0.07 0.00 0.21 0.00 0.00 66.02 66.73 2kvr s SER 93 CO 0.09 -1.01 1.59 0.20 0.41 0.00 0.00 173.24 174.52 2kvr s ASN 94 N -3.17 6.68 0.00 2.44 0.02 -1.26 -0.73 114.94 118.92 2kvr s ASN 94 Ca 0.34 2.34 0.00 0.00 -1.02 0.00 0.00 52.86 54.52 2kvr s ASN 94 Cb 0.03 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.75 2kvr s ASN 94 CO 0.15 -0.85 0.00 0.61 0.02 0.00 0.00 177.10 177.02 2kvr n GLY 95 N 3.94 2.86 0.07 0.66 0.00 -1.26 -4.78 105.19 106.67 2kvr n GLY 95 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2kvr n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kvr n THR 96 N -2.00 0.59 -1.90 2.61 5.66 -0.92 -5.01 114.28 113.32 2kvr n THR 96 Ca 0.00 -0.64 -0.34 0.00 -3.05 0.00 0.00 64.05 60.02 2kvr n THR 96 Cb 0.00 0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 69.35 2kvr n THR 96 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kvr s LYS 97 N -0.71 2.41 -0.42 1.09 2.47 0.09 -4.48 119.74 120.19 2kvr s LYS 97 Ca 0.04 0.61 0.06 0.00 -1.56 0.00 0.00 55.97 55.12 2kvr s LYS 97 Cb 0.03 -4.59 0.21 0.00 -1.46 0.00 0.00 37.83 32.02 2kvr s LYS 97 CO 0.00 -3.11 0.51 -2.13 0.16 0.00 0.00 175.35 170.78 2kvr n ARG 98 N 9.06 0.48 -3.24 4.03 3.00 -1.26 -5.01 116.66 123.73 2kvr n ARG 98 Ca 0.30 -2.90 -0.39 0.00 -0.00 0.00 0.00 57.85 54.85 2kvr n ARG 98 Cb 0.51 -1.46 -0.07 0.00 0.00 0.00 0.00 32.46 31.45 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kvr s PRO 99 N -0.23 4.20 0.01 -0.14 0.04 -1.26 -4.90 135.00 132.72 2kvr s PRO 99 Ca 0.33 0.43 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 2kvr s PRO 99 Cb 0.10 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 31.12 2kvr s PRO 99 CO -0.15 -0.15 0.37 0.00 0.04 0.00 0.00 177.00 177.11 2kvr s ALA 100 N 1.62 -0.91 0.54 8.56 0.00 -1.26 -5.17 121.76 125.14 2kvr s ALA 100 Ca 0.25 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 2kvr s ALA 100 Cb -0.15 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2kvr s ALA 100 CO 0.10 -0.36 0.89 0.00 0.00 0.00 0.00 175.76 176.38 2kvr s MET 101 N -1.94 3.50 0.63 0.00 0.23 -1.26 -4.35 119.30 116.11 2kvr s MET 101 Ca -0.09 0.39 -0.14 0.00 -1.03 0.00 0.00 55.69 54.82 2kvr s MET 101 Cb -0.02 -2.25 -0.02 0.00 -1.53 0.00 0.00 34.83 31.00 2kvr s MET 101 CO 0.01 -0.39 1.06 -0.51 -2.03 0.00 0.00 175.02 173.17 2kvr s LEU 102 N -4.93 3.39 -0.60 0.18 2.01 -0.82 -4.95 118.68 112.96 2kvr s LEU 102 Ca 0.51 1.79 -0.26 0.00 0.01 0.00 0.00 54.13 56.18 2kvr s LEU 102 Cb -0.11 -4.53 -0.06 0.00 0.01 0.00 0.00 46.19 41.51 2kvr s LEU 102 CO 0.48 -1.31 2.19 -1.81 1.01 0.00 0.00 176.35 176.91 2kvr s ASP 103 N -3.01 4.70 0.53 2.29 1.11 -1.26 -4.84 116.67 116.19 2kvr s ASP 103 Ca 0.63 0.57 0.19 0.00 0.18 0.00 0.00 52.55 54.12 2kvr s ASP 103 Cb -0.16 -2.52 1.39 0.00 1.07 0.00 0.00 42.92 42.70 2kvr s ASP 103 CO 0.42 -2.83 2.17 -1.13 1.18 0.00 0.00 175.17 174.98 2kvr h ASN 104 N 16.59 0.00 -0.71 0.27 -0.00 -1.97 0.71 115.58 130.47 2kvr h ASN 104 Ca -0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.10 2kvr h ASN 104 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.47 2kvr h ASN 104 CO 1.17 0.01 0.39 -0.08 -0.00 0.00 0.00 177.43 178.91 2kvr h GLU 105 N 0.00 0.99 0.24 6.67 4.57 -1.96 -2.65 114.58 122.43 2kvr h GLU 105 Ca -0.00 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2kvr h GLU 105 Cb 0.02 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2kvr h GLU 105 CO 0.00 0.74 -0.11 0.00 -1.18 0.00 0.00 179.01 178.46 2kvr h ALA 106 N 1.19 -0.32 -0.26 2.92 0.00 -1.25 -3.37 119.26 118.18 2kvr h ALA 106 Ca 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kvr h ALA 106 Cb 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kvr h ALA 106 CO -0.04 -0.33 0.10 0.38 0.00 0.00 0.00 179.25 179.36 2kvr h ASP 107 N -1.03 0.36 0.00 0.00 3.04 -1.25 -2.64 116.42 114.91 2kvr h ASP 107 Ca -0.03 -0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2kvr h ASP 107 Cb 0.39 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 2kvr h ASP 107 CO 0.05 0.44 0.00 0.61 -2.04 0.00 0.00 179.24 178.31 2kvr n GLY 108 N -0.69 1.15 0.00 7.15 0.00 -1.00 -2.36 105.19 109.44 2kvr n GLY 108 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.15 4.65 -2.72 1.61 2.85 -1.00 -4.77 115.26 116.02 2kvr n ASN 109 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 2kvr n ASN 109 Cb 0.20 0.38 -0.03 0.00 1.24 0.00 0.00 39.78 41.57 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 -2.06 1.04 -1.70 1.20 -0.00 -1.00 -4.96 118.16 110.68 2kvr n LYS 110 Ca 0.00 -1.50 -0.31 0.00 -0.00 0.00 0.00 58.31 56.50 2kvr n LYS 110 Cb 0.48 0.66 0.04 0.00 -0.00 0.00 0.00 35.03 36.21 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 -2.04 3.99 -1.07 0.58 -4.23 -1.26 -1.06 115.64 110.56 2kvr s THR 111 Ca 0.06 0.72 0.28 0.00 -1.18 0.00 0.00 61.69 61.56 2kvr s THR 111 Cb 0.00 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.65 2kvr s THR 111 CO 0.04 -0.78 1.79 1.15 -0.54 0.00 0.00 174.62 176.29 2kvr n MET 112 N -2.84 0.08 0.22 3.99 0.00 -0.84 -3.19 117.12 114.54 2kvr n MET 112 Ca 0.08 -0.02 0.05 0.00 0.00 0.00 0.00 57.70 57.81 2kvr n MET 112 Cb 0.53 -1.50 0.50 0.00 0.00 0.00 0.00 33.22 32.76 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 0.04 1.13 0.00 3.17 6.09 -1.64 -2.08 117.51 124.22 2kvr h ILE 113 Ca 0.00 -0.62 -0.15 0.00 -1.37 0.00 0.00 64.86 62.72 2kvr h ILE 113 Cb 0.48 1.33 -0.02 0.00 0.47 0.00 0.00 36.82 39.08 2kvr h ILE 113 CO 0.00 0.18 -0.70 -0.33 -3.07 0.00 0.00 178.15 174.22 2kvr h GLU 114 N 0.00 0.00 0.17 2.19 5.08 -1.84 0.76 114.58 120.94 2kvr h GLU 114 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 2kvr h GLU 114 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kvr h GLU 114 CO 0.02 0.70 -1.48 -0.07 -1.00 0.00 0.00 179.01 177.18 2kvr h LEU 115 N 0.00 0.56 -1.13 1.33 -0.00 -1.69 -3.32 115.31 111.06 2kvr h LEU 115 Ca -0.01 -0.91 -0.09 0.00 -0.00 0.00 0.00 57.88 56.87 2kvr h LEU 115 Cb 1.28 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2kvr h LEU 115 CO 0.09 1.67 -0.41 0.77 -0.00 0.00 0.00 178.44 180.57 2kvr h SER 116 N -0.09 0.06 -5.19 -0.43 4.64 -1.40 -3.47 113.55 107.67 2kvr h SER 116 Ca -0.29 -0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 60.65 2kvr h SER 116 Cb 1.94 -0.02 0.12 0.00 -0.31 0.00 0.00 62.40 64.13 2kvr h SER 116 CO 0.15 0.46 -0.60 -0.67 -0.87 0.00 0.00 176.83 175.30 2kvr n ASP 117 N -4.05 -5.89 -0.83 4.97 2.03 0.25 -3.07 116.55 109.97 2kvr n ASP 117 Ca -0.02 -0.46 -0.08 0.00 0.52 0.00 0.00 54.79 54.75 2kvr n ASP 117 Cb 0.44 -4.53 -0.02 0.00 -0.72 0.00 0.00 41.12 36.30 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 -2.47 -3.32 -4.61 1.67 3.02 -1.17 -5.05 115.26 103.33 2kvr n ASN 118 Ca -0.00 0.07 -0.32 0.00 -0.03 0.00 0.00 54.58 54.30 2kvr n ASN 118 Cb 0.56 -2.23 -0.10 0.00 -0.61 0.00 0.00 39.78 37.40 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 -3.79 2.51 -0.27 3.52 -1.05 -1.17 -5.13 118.70 113.32 2kvr s GLU 119 Ca 0.00 -0.77 -0.24 0.00 -0.15 0.00 0.00 54.97 53.81 2kvr s GLU 119 Cb 0.00 -2.49 0.07 0.00 -0.44 0.00 0.00 34.13 31.27 2kvr s GLU 119 CO 0.00 0.58 0.72 0.54 0.95 0.00 0.00 175.26 178.05 2kvr s ASN 120 N -1.64 -0.77 0.03 0.83 6.03 -1.26 -4.14 114.94 114.03 2kvr s ASN 120 Ca 0.19 1.45 -0.30 0.00 -1.03 0.00 0.00 52.86 53.16 2kvr s ASN 120 Cb -0.11 1.45 -0.06 0.00 -3.03 0.00 0.00 41.25 39.50 2kvr s ASN 120 CO 0.10 -0.25 1.37 -2.16 -2.03 0.00 0.00 177.10 174.13 2kvr s PRO 121 N 0.53 4.31 -0.12 3.55 0.04 -1.26 -4.96 135.00 137.09 2kvr s PRO 121 Ca -0.01 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 2kvr s PRO 121 Cb -0.05 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 2kvr s PRO 121 CO -0.02 -0.51 0.61 -0.46 0.04 0.00 0.00 177.00 176.67 2kvr s TRP 122 N 1.96 3.49 -0.15 0.56 -0.00 -0.99 -4.80 118.94 119.02 2kvr s TRP 122 Ca 0.63 1.04 -0.08 0.00 -0.00 0.00 0.00 56.10 57.69 2kvr s TRP 122 Cb -0.32 -2.73 -0.04 0.00 -0.00 0.00 0.00 33.47 30.38 2kvr s TRP 122 CO 0.27 0.03 0.14 0.99 -0.00 0.00 0.00 176.95 178.38 2kvr s THR 123 N 1.11 5.47 -0.04 5.86 2.01 -1.26 -0.80 115.64 127.98 2kvr s THR 123 Ca 0.31 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 2kvr s THR 123 Cb -0.16 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 68.95 2kvr s THR 123 CO 0.13 0.56 0.34 -0.51 -0.69 0.00 0.00 174.62 174.45 2kvr s ILE 124 N -0.56 0.04 -0.14 1.82 2.07 -0.46 -2.36 121.20 121.61 2kvr s ILE 124 Ca 0.13 -0.37 -0.08 0.00 -1.41 0.00 0.00 60.65 58.93 2kvr s ILE 124 Cb -0.12 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 2kvr s ILE 124 CO 0.02 -0.20 0.13 0.12 -1.91 0.00 0.00 174.94 173.10 2kvr s PHE 125 N -1.04 3.52 -0.31 3.50 5.36 -0.19 -2.95 117.98 125.87 2kvr s PHE 125 Ca -0.11 0.45 -0.19 0.00 -0.96 0.00 0.00 56.93 56.12 2kvr s PHE 125 Cb -0.04 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 2kvr s PHE 125 CO 0.04 0.59 0.56 -1.17 -1.46 0.00 0.00 175.22 173.78 2kvr s LEU 126 N -0.61 4.17 -0.04 6.12 0.20 -0.86 -2.33 118.68 125.33 2kvr s LEU 126 Ca 0.13 0.32 -0.03 0.00 0.69 0.00 0.00 54.13 55.24 2kvr s LEU 126 Cb -0.12 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 2kvr s LEU 126 CO 0.02 -0.42 0.13 -0.70 -0.29 0.00 0.00 176.35 175.09 2kvr s GLU 127 N 2.46 3.29 0.00 1.98 2.56 -0.63 -4.74 118.70 123.63 2kvr s GLU 127 Ca 0.22 -0.33 0.30 0.00 0.00 0.00 0.00 54.97 55.16 2kvr s GLU 127 Cb -0.15 -3.03 1.78 0.00 2.00 0.00 0.00 34.13 34.73 2kvr s GLU 127 CO 0.12 0.69 2.11 2.41 -0.56 0.00 0.00 175.26 180.03