#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 -0.90 0.54 3.07 -2.05 -2.71 115.11 113.06 2kvr h GLN 2 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 58.65 58.94 2kvr h GLN 2 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 2kvr h GLN 2 CO 0.00 0.00 0.60 -0.56 0.09 0.00 0.00 178.83 178.96 2kvr h GLN 3 N 0.00 0.37 -0.23 0.06 3.07 -2.05 0.26 115.11 116.60 2kvr h GLN 3 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 2kvr h GLN 3 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2kvr h GLN 3 CO 0.00 0.25 -0.15 -0.07 0.09 0.00 0.00 178.83 178.95 2kvr h LEU 4 N 0.39 0.53 0.00 0.06 3.38 -1.93 -2.06 115.31 115.68 2kvr h LEU 4 Ca 0.47 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2kvr h LEU 4 Cb 1.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2kvr h LEU 4 CO -0.17 0.84 -0.47 1.62 0.09 0.00 0.00 178.44 180.35 2kvr h VAL 5 N 0.21 0.46 0.00 1.22 3.04 -1.62 -3.08 116.25 116.47 2kvr h VAL 5 Ca 0.05 -1.68 -0.07 0.00 -1.01 0.00 0.00 66.70 63.99 2kvr h VAL 5 Cb 0.66 2.16 0.01 0.00 -2.01 0.00 0.00 31.29 32.11 2kvr h VAL 5 CO 0.04 0.26 -0.26 -0.08 -1.01 0.00 0.00 177.57 176.52 2kvr h GLU 6 N 0.00 0.17 -0.32 4.17 4.81 -0.45 -1.55 114.58 121.42 2kvr h GLU 6 Ca -0.02 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 2kvr h GLU 6 Cb 1.24 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2kvr h GLU 6 CO 0.04 0.94 -0.10 0.07 -0.73 0.00 0.00 179.01 179.22 2kvr h ARG 7 N -0.51 0.53 0.09 1.92 -0.00 -1.52 -0.50 114.38 114.39 2kvr h ARG 7 Ca -0.03 -0.15 0.02 0.00 -0.00 0.00 0.00 59.98 59.82 2kvr h ARG 7 Cb 1.03 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 30.91 2kvr h ARG 7 CO 0.05 0.63 -0.25 1.25 -0.00 0.00 0.00 179.97 181.65 2kvr h LEU 8 N 0.49 -0.71 -0.86 0.08 6.46 -1.50 -2.08 115.31 117.19 2kvr h LEU 8 Ca 0.09 0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.83 2kvr h LEU 8 Cb 0.47 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 2kvr h LEU 8 CO 0.03 -0.33 -0.54 1.56 -0.62 0.00 0.00 178.44 178.53 2kvr h GLN 9 N -0.44 0.00 -0.26 1.25 4.20 -1.02 0.99 115.11 119.84 2kvr h GLN 9 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2kvr h GLN 9 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2kvr h GLN 9 CO -0.16 0.54 -0.21 1.49 -0.67 0.00 0.00 178.83 179.82 2kvr h GLU 10 N 0.00 0.47 0.09 1.46 4.81 -0.89 -2.50 114.58 118.01 2kvr h GLU 10 Ca -0.01 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 58.90 2kvr h GLU 10 Cb 1.00 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.36 2kvr h GLU 10 CO 0.07 0.65 -0.69 0.93 -0.73 0.00 0.00 179.01 179.25 2kvr h GLU 11 N 0.42 0.30 -0.30 1.92 5.08 -1.18 -3.38 114.58 117.43 2kvr h GLU 11 Ca 0.07 -0.45 0.09 0.00 -1.00 0.00 0.00 59.36 58.07 2kvr h GLU 11 Cb 0.60 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kvr h GLU 11 CO 0.04 1.18 0.27 -0.22 -1.00 0.00 0.00 179.01 179.28 2kvr h LYS 12 N -0.36 0.00 0.00 2.33 3.64 -0.50 -2.60 116.57 119.07 2kvr h LYS 12 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2kvr h LYS 12 Cb 1.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2kvr h LYS 12 CO 0.13 0.00 0.13 2.89 -2.27 0.00 0.00 179.45 180.34 2kvr n ARG 13 N -4.02 0.08 0.12 1.90 1.85 -0.97 -1.85 116.66 113.77 2kvr n ARG 13 Ca 0.04 0.54 0.11 0.00 -1.00 0.00 0.00 57.85 57.55 2kvr n ARG 13 Cb 0.43 -1.90 0.48 0.00 -1.05 0.00 0.00 32.46 30.42 2kvr n ARG 13 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2kvr n ILE 14 N -1.92 0.86 -0.00 8.89 -0.00 -0.98 -3.53 119.36 122.68 2kvr n ILE 14 Ca -0.01 0.26 0.21 0.00 -0.00 0.00 0.00 62.75 63.21 2kvr n ILE 14 Cb 0.15 -1.18 0.70 0.00 -0.00 0.00 0.00 39.64 39.31 2kvr n ILE 14 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2kvr h GLU 15 N 0.00 0.00 -0.20 6.28 5.08 -1.65 -0.68 114.58 123.40 2kvr h GLU 15 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2kvr h GLU 15 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2kvr h GLU 15 CO 0.00 0.00 0.28 0.00 -1.00 0.00 0.00 179.01 178.29 2kvr h ALA 16 N 1.70 1.77 0.00 3.43 0.00 -1.84 -2.62 119.26 121.70 2kvr h ALA 16 Ca 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2kvr h ALA 16 Cb 1.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kvr h ALA 16 CO -0.00 -0.38 -1.21 0.00 0.00 0.00 0.00 179.25 177.66 2kvr n GLN 17 N -3.59 2.45 0.07 0.00 10.64 -0.79 -4.87 117.38 121.29 2kvr n GLN 17 Ca 0.02 0.01 0.12 0.00 -1.83 0.00 0.00 57.00 55.32 2kvr n GLN 17 Cb 0.40 -1.08 0.27 0.00 -0.86 0.00 0.00 30.24 28.97 2kvr n GLN 17 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2kvr n LYS 18 N -2.27 0.25 0.00 2.61 3.00 -0.33 -3.84 118.16 117.58 2kvr n LYS 18 Ca -0.05 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2kvr n LYS 18 Cb 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.92 2kvr n LYS 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kvr n ARG 19 N -2.08 0.63 -2.17 1.64 1.74 -1.01 -4.64 116.66 110.77 2kvr n ARG 19 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 2kvr n ARG 19 Cb 0.42 -1.04 -0.05 0.00 -1.02 0.00 0.00 32.46 30.77 2kvr n ARG 19 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2kvr s LYS 20 N -1.86 2.80 0.15 5.56 2.20 -1.25 -4.91 119.74 122.43 2kvr s LYS 20 Ca 0.00 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2kvr s LYS 20 Cb 0.00 -5.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.11 2kvr s LYS 20 CO 0.00 -3.20 0.01 -1.83 -0.36 0.00 0.00 175.35 169.97 2kvr s GLU 21 N 6.45 1.02 0.03 4.03 4.04 -1.26 -5.03 118.70 127.97 2kvr s GLU 21 Ca 0.65 -1.48 0.00 0.00 0.04 0.00 0.00 54.97 54.17 2kvr s GLU 21 Cb -0.04 -0.11 0.00 0.00 0.02 0.00 0.00 34.13 33.99 2kvr s GLU 21 CO -0.00 -0.15 0.00 -2.13 -1.84 0.00 0.00 175.26 171.13 2kvr n ARG 22 N -0.18 0.00 -3.98 -4.83 0.63 -1.26 -5.16 116.66 101.88 2kvr n ARG 22 Ca -0.07 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.75 2kvr n ARG 22 Cb 0.63 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.51 2kvr n ARG 22 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2kvr s GLN 23 N -2.00 1.82 -0.07 -0.14 0.74 -1.26 -5.13 119.66 113.62 2kvr s GLN 23 Ca 0.00 -1.43 -0.36 0.00 0.05 0.00 0.00 55.36 53.62 2kvr s GLN 23 Cb 0.00 0.50 -0.13 0.00 1.10 0.00 0.00 33.01 34.48 2kvr s GLN 23 CO 0.00 -0.78 1.75 -0.85 -0.55 0.00 0.00 175.29 174.86 2kvr n GLU 24 N -0.47 1.88 -0.80 1.67 0.28 -1.26 -4.95 120.64 116.99 2kvr n GLU 24 Ca -0.02 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 2kvr n GLU 24 Cb 0.61 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 31.01 2kvr n GLU 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kvr n ALA 25 N 5.45 0.00 0.91 -1.84 0.00 -1.26 -5.03 120.51 118.74 2kvr n ALA 25 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.73 2kvr n ALA 25 Cb 0.25 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.14 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 1.66 0.00 1.44 -1.26 -3.22 115.22 113.84 2kvr n HIS 26 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kvr n HIS 26 Cb 0.00 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.09 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 -1.02 0.03 -0.84 2.39 7.99 -1.26 -4.51 117.00 119.78 2kvr n LEU 27 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 2kvr n LEU 27 Cb 0.05 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 2kvr n LEU 27 CO 0.08 0.01 0.06 -1.22 -1.51 0.00 0.00 177.39 174.81 2kvr n TYR 28 N -0.48 0.00 -1.12 -1.77 4.02 -1.20 -1.44 117.16 115.17 2kvr n TYR 28 Ca 0.00 -0.05 -0.44 0.00 -0.01 0.00 0.00 57.90 57.41 2kvr n TYR 28 Cb 0.01 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 39.18 2kvr n TYR 28 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 2kvr n MET 29 N 0.78 0.00 -3.18 -0.72 0.00 0.20 -2.64 117.12 111.55 2kvr n MET 29 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.70 57.35 2kvr n MET 29 Cb 0.06 -1.03 -0.06 0.00 0.00 0.00 0.00 33.22 32.19 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 1.13 4.14 -0.06 2.12 1.11 -1.26 -1.54 119.66 125.30 2kvr s GLN 30 Ca 0.68 0.74 -0.00 0.00 0.01 0.00 0.00 55.36 56.78 2kvr s GLN 30 Cb -0.96 -2.83 0.02 0.00 -1.01 0.00 0.00 33.01 28.23 2kvr s GLN 30 CO 0.49 0.39 -0.03 0.54 0.01 0.00 0.00 175.29 176.68 2kvr s VAL 31 N -1.57 0.51 -0.49 1.09 0.11 -0.69 -1.61 120.40 117.76 2kvr s VAL 31 Ca 0.43 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 59.24 2kvr s VAL 31 Cb -0.15 -0.59 0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2kvr s VAL 31 CO 0.20 0.25 0.71 -1.10 -3.33 0.00 0.00 175.10 171.84 2kvr s GLN 32 N 1.46 3.24 -0.02 1.54 -0.21 -0.17 -1.91 119.66 123.59 2kvr s GLN 32 Ca -0.02 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 54.86 2kvr s GLN 32 Cb -0.13 -4.03 -0.03 0.00 1.00 0.00 0.00 33.01 29.82 2kvr s GLN 32 CO -0.03 -1.20 -0.09 0.42 -2.12 0.00 0.00 175.29 172.27 2kvr s ILE 33 N 3.03 3.53 0.01 1.08 -1.09 -0.76 -1.26 121.20 125.74 2kvr s ILE 33 Ca 0.22 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2kvr s ILE 33 Cb -0.15 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 2kvr s ILE 33 CO 0.17 0.48 -0.04 0.68 -1.23 0.00 0.00 174.94 174.99 2kvr s VAL 34 N -0.90 0.33 0.35 2.92 -7.23 -1.25 -1.28 120.40 113.34 2kvr s VAL 34 Ca 0.15 -0.37 -0.17 0.00 -1.81 0.00 0.00 61.98 59.78 2kvr s VAL 34 Cb -0.11 -0.32 0.05 0.00 0.56 0.00 0.00 36.38 36.56 2kvr s VAL 34 CO 0.05 -0.03 0.79 0.00 -0.31 0.00 0.00 175.10 175.60 2kvr s ALA 35 N -0.40 -0.88 -0.41 1.32 0.00 -1.26 -3.57 121.76 116.56 2kvr s ALA 35 Ca -0.02 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.37 2kvr s ALA 35 Cb -0.03 0.71 0.23 0.00 0.00 0.00 0.00 23.12 24.02 2kvr s ALA 35 CO -0.00 -1.00 0.52 -1.91 0.00 0.00 0.00 175.76 173.37 2kvr n GLU 36 N -0.53 0.60 0.00 0.00 2.13 -1.24 -4.49 120.64 117.11 2kvr n GLU 36 Ca -0.07 -3.03 0.12 0.00 0.66 0.00 0.00 57.16 54.83 2kvr n GLU 36 Cb 0.60 -1.34 0.63 0.00 0.27 0.00 0.00 31.44 31.60 2kvr n GLU 36 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kvr n ASP 37 N 1.79 0.00 -0.28 4.31 9.92 -1.19 -2.57 116.55 128.53 2kvr n ASP 37 Ca 0.22 -0.33 0.02 0.00 -0.53 0.00 0.00 54.79 54.17 2kvr n ASP 37 Cb 0.53 -0.17 0.15 0.00 -0.64 0.00 0.00 41.12 40.99 2kvr n ASP 37 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2kvr h GLN 38 N 0.00 0.75 -0.39 -1.24 4.15 -1.74 -2.26 115.11 114.37 2kvr h GLN 38 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2kvr h GLN 38 Cb 0.13 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2kvr h GLN 38 CO 0.00 0.49 0.22 0.74 -1.93 0.00 0.00 178.83 178.35 2kvr h PHE 39 N 0.77 0.52 -0.26 3.99 0.04 -1.86 -1.73 116.94 118.40 2kvr h PHE 39 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2kvr h PHE 39 Cb 0.33 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2kvr h PHE 39 CO -0.07 0.36 0.00 0.00 -0.60 0.00 0.00 178.31 178.01 2kvr n GLY 41 N 0.86 1.86 5.00 0.00 0.00 -0.65 -4.93 105.19 107.33 2kvr n GLY 41 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 3.21 0.00 -1.65 1.61 8.25 -1.26 -4.26 115.22 121.12 2kvr n HIS 42 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2kvr n HIS 42 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 2kvr n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kvr n GLN 43 N 0.00 1.05 -0.08 -0.41 10.64 -1.26 -4.98 117.38 122.33 2kvr n GLN 43 Ca 0.00 0.40 -0.10 0.00 -1.83 0.00 0.00 57.00 55.47 2kvr n GLN 43 Cb 0.00 -2.29 -0.09 0.00 -0.86 0.00 0.00 30.24 27.00 2kvr n GLN 43 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kvr n GLY 44 N 1.15 -0.42 3.71 2.61 0.00 -1.26 -4.98 105.19 106.00 2kvr n GLY 44 Ca 0.14 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2kvr n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kvr s ASN 45 N -5.33 6.93 0.00 1.61 0.02 -1.26 -4.96 114.94 111.94 2kvr s ASN 45 Ca -0.17 1.12 0.21 0.00 -1.02 0.00 0.00 52.86 53.00 2kvr s ASN 45 Cb 0.05 -2.39 0.09 0.00 0.02 0.00 0.00 41.25 39.02 2kvr s ASN 45 CO 0.48 -0.13 1.11 -0.90 0.02 0.00 0.00 177.10 177.67 2kvr n ASP 46 N 3.93 2.39 -0.06 -1.22 5.75 -1.26 -4.44 116.55 121.63 2kvr n ASP 46 Ca -0.02 -1.69 -0.07 0.00 -0.01 0.00 0.00 54.79 53.00 2kvr n ASP 46 Cb 0.51 0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.78 2kvr n ASP 46 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 2kvr h MET 47 N 3.31 0.00 -4.23 0.11 2.86 -2.04 -3.43 114.93 111.51 2kvr h MET 47 Ca 0.00 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.92 2kvr h MET 47 Cb 0.81 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 32.15 2kvr h MET 47 CO 0.00 0.38 -0.40 -0.47 1.06 0.00 0.00 176.91 177.48 2kvr s TYR 48 N -1.93 3.48 -0.75 -0.22 5.04 -1.26 -5.04 117.35 116.67 2kvr s TYR 48 Ca -0.10 -2.12 -0.14 0.00 -2.44 0.00 0.00 57.07 52.27 2kvr s TYR 48 Cb 0.00 -3.42 0.19 0.00 0.35 0.00 0.00 41.96 39.09 2kvr s TYR 48 CO 0.28 -0.97 0.69 -0.51 -1.34 0.00 0.00 175.55 173.70 2kvr s ASP 49 N 2.20 6.58 0.57 4.32 1.11 -1.26 -4.81 116.67 125.38 2kvr s ASP 49 Ca 0.08 -2.46 0.37 0.00 0.18 0.00 0.00 52.55 50.73 2kvr s ASP 49 Cb -0.24 -2.20 1.85 0.00 1.07 0.00 0.00 42.92 43.40 2kvr s ASP 49 CO -0.02 -0.64 2.13 -0.33 1.18 0.00 0.00 175.17 177.48 2kvr h GLU 50 N 8.05 0.00 -0.03 8.23 5.08 -1.96 0.13 114.58 134.08 2kvr h GLU 50 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kvr h GLU 50 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kvr h GLU 50 CO 0.83 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.23 2kvr n GLU 51 N -2.95 1.77 0.00 2.33 1.02 -1.26 -4.00 120.64 117.56 2kvr n GLU 51 Ca -0.01 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 2kvr n GLU 51 Cb 0.16 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2kvr n GLU 51 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kvr n LYS 52 N 0.36 0.11 -1.00 3.49 3.00 -0.33 -3.14 118.16 120.65 2kvr n LYS 52 Ca 0.18 -0.35 -0.30 0.00 -0.00 0.00 0.00 58.31 57.84 2kvr n LYS 52 Cb 0.39 -0.55 0.26 0.00 0.00 0.00 0.00 35.03 35.13 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 -0.05 1.48 1.10 3.15 -7.23 0.30 -5.00 120.40 114.15 2kvr s VAL 53 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 2kvr s VAL 53 Cb 0.00 -2.45 0.21 0.00 0.56 0.00 0.00 36.38 34.70 2kvr s VAL 53 CO 0.00 0.00 0.43 2.29 -0.31 0.00 0.00 175.10 177.51 2kvr n LYS 54 N -4.95 -2.76 -1.47 4.82 0.00 -1.26 -4.79 118.16 107.76 2kvr n LYS 54 Ca 0.15 -0.82 -0.44 0.00 -0.00 0.00 0.00 58.31 57.20 2kvr n LYS 54 Cb 0.60 -1.58 -0.09 0.00 -0.00 0.00 0.00 35.03 33.96 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 -4.69 1.13 -2.33 5.58 4.01 -1.26 -4.88 117.16 114.72 2kvr n TYR 55 Ca 0.07 0.32 -0.43 0.00 -0.16 0.00 0.00 57.90 57.70 2kvr n TYR 55 Cb 0.41 -2.48 -0.02 0.00 -0.31 0.00 0.00 39.34 36.94 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 9.07 3.90 -0.55 -0.72 -1.32 -0.40 -4.77 115.64 120.84 2kvr s THR 56 Ca 1.17 0.93 -0.20 0.00 -1.21 0.00 0.00 61.69 62.39 2kvr s THR 56 Cb -0.90 -4.15 0.07 0.00 -1.51 0.00 0.00 72.50 66.01 2kvr s THR 56 CO 0.45 -0.69 0.73 -0.69 -2.21 0.00 0.00 174.62 172.21 2kvr s VAL 57 N 5.38 4.73 -0.41 5.08 1.01 -1.26 -1.83 120.40 133.09 2kvr s VAL 57 Ca 0.62 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 2kvr s VAL 57 Cb -0.15 -4.43 0.02 0.00 0.00 0.00 0.00 36.38 31.82 2kvr s VAL 57 CO 0.31 -1.01 0.58 -0.36 0.00 0.00 0.00 175.10 174.62 2kvr s PHE 58 N 3.00 3.12 -0.48 5.22 0.08 -0.80 -4.88 117.98 123.24 2kvr s PHE 58 Ca 0.17 -0.03 -0.21 0.00 0.12 0.00 0.00 56.93 56.97 2kvr s PHE 58 Cb -0.19 -3.15 0.04 0.00 -0.57 0.00 0.00 43.02 39.14 2kvr s PHE 58 CO 0.11 -0.75 0.71 -1.59 -0.10 0.00 0.00 175.22 173.60 2kvr s LYS 59 N 2.59 3.27 0.10 0.44 0.00 -1.26 -1.70 119.74 123.18 2kvr s LYS 59 Ca 0.20 -0.44 0.03 0.00 0.00 0.00 0.00 55.97 55.76 2kvr s LYS 59 Cb -0.15 -4.00 -0.04 0.00 0.00 0.00 0.00 37.83 33.64 2kvr s LYS 59 CO 0.16 -1.16 -0.08 0.14 0.00 0.00 0.00 175.35 174.41 2kvr s VAL 60 N 3.03 0.84 -0.31 1.79 -7.23 -0.59 -4.86 120.40 113.07 2kvr s VAL 60 Ca 0.23 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 58.31 2kvr s VAL 60 Cb -0.15 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2kvr s VAL 60 CO 0.18 -0.72 1.91 -0.76 -0.31 0.00 0.00 175.10 175.39 2kvr s LEU 61 N -2.78 3.49 0.35 1.32 1.43 -1.24 -0.63 118.68 120.61 2kvr s LEU 61 Ca 0.09 1.43 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 2kvr s LEU 61 Cb 0.01 -3.49 0.80 0.00 0.03 0.00 0.00 46.19 43.55 2kvr s LEU 61 CO -0.02 -1.79 1.85 0.07 0.23 0.00 0.00 176.35 176.69 2kvr h LYS 62 N 13.49 0.69 -0.12 1.70 2.10 -1.55 -1.72 116.57 131.16 2kvr h LYS 62 Ca -0.35 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2kvr h LYS 62 Cb 1.19 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2kvr h LYS 62 CO 1.02 0.46 0.00 0.27 -2.00 0.00 0.00 179.45 179.19 2kvr n ASN 63 N -4.59 0.90 -4.94 7.07 6.94 -1.26 -1.59 115.26 117.79 2kvr n ASN 63 Ca 0.19 -1.72 -0.24 0.00 -0.02 0.00 0.00 54.58 52.79 2kvr n ASN 63 Cb 0.49 -0.08 -0.01 0.00 -2.36 0.00 0.00 39.78 37.83 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 -1.38 6.28 0.65 0.53 0.15 -0.65 -4.93 113.70 114.35 2kvr s SER 64 Ca 0.24 0.43 -0.14 0.00 0.70 0.00 0.00 55.95 57.18 2kvr s SER 64 Cb 0.12 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 2kvr s SER 64 CO 0.19 -0.30 1.07 -0.94 1.20 0.00 0.00 173.24 174.46 2kvr s SER 65 N -4.04 5.43 0.40 5.45 1.04 -1.26 -2.49 113.70 118.22 2kvr s SER 65 Ca 0.40 1.80 0.18 0.00 0.48 0.00 0.00 55.95 58.81 2kvr s SER 65 Cb -0.10 -2.53 0.83 0.00 0.10 0.00 0.00 66.02 64.33 2kvr s SER 65 CO 0.36 -1.41 1.82 0.25 0.98 0.00 0.00 173.24 175.24 2kvr h LEU 66 N -0.09 0.00 -1.78 2.42 7.12 -1.46 -2.61 115.31 118.91 2kvr h LEU 66 Ca -0.46 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.54 2kvr h LEU 66 Cb 1.22 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 2kvr h LEU 66 CO 0.56 0.33 0.04 0.00 -0.13 0.00 0.00 178.44 179.24 2kvr h ALA 67 N 1.67 1.83 -0.35 1.25 0.00 -1.82 -1.72 119.26 120.11 2kvr h ALA 67 Ca -0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2kvr h ALA 67 Cb 0.72 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kvr h ALA 67 CO 0.04 0.14 -0.35 0.93 0.00 0.00 0.00 179.25 180.02 2kvr h GLU 68 N 0.18 0.79 0.05 0.00 4.39 -1.85 -2.76 114.58 115.38 2kvr h GLU 68 Ca 0.05 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 2kvr h GLU 68 Cb 0.07 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2kvr h GLU 68 CO -0.00 1.02 -0.02 0.35 -1.16 0.00 0.00 179.01 179.19 2kvr h PHE 69 N 0.66 -0.06 -0.08 4.33 3.57 -1.42 -2.89 116.94 121.06 2kvr h PHE 69 Ca 0.07 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2kvr h PHE 69 Cb 0.90 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2kvr h PHE 69 CO 0.05 0.26 -0.30 -0.39 -2.23 0.00 0.00 178.31 175.71 2kvr h VAL 70 N -0.38 1.24 -0.10 1.41 -1.51 -1.37 -1.16 116.25 114.39 2kvr h VAL 70 Ca -0.01 -1.15 -0.19 0.00 -1.23 0.00 0.00 66.70 64.12 2kvr h VAL 70 Cb 0.35 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2kvr h VAL 70 CO 0.01 0.34 -0.73 0.06 -1.23 0.00 0.00 177.57 176.02 2kvr h GLN 71 N 0.13 0.49 -0.74 5.19 3.07 -1.55 0.68 115.11 122.38 2kvr h GLN 71 Ca 0.02 -0.39 -0.04 0.00 0.09 0.00 0.00 58.65 58.33 2kvr h GLN 71 Cb 0.59 0.08 -0.03 0.00 0.08 0.00 0.00 27.48 28.20 2kvr h GLN 71 CO 0.04 1.03 0.32 0.77 0.09 0.00 0.00 178.83 181.08 2kvr h SER 72 N 0.33 1.00 0.66 0.06 0.02 -1.24 -2.64 113.55 111.76 2kvr h SER 72 Ca -0.03 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 2kvr h SER 72 Cb 1.32 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2kvr h SER 72 CO 0.13 0.88 -0.63 0.25 -1.14 0.00 0.00 176.83 176.32 2kvr h LEU 73 N 1.05 0.00 -0.38 5.07 6.46 -1.07 -2.91 115.31 123.53 2kvr h LEU 73 Ca 0.25 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.89 2kvr h LEU 73 Cb 0.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2kvr h LEU 73 CO -0.03 0.63 -0.22 -1.28 -0.62 0.00 0.00 178.44 176.93 2kvr h SER 74 N 0.00 0.85 1.42 1.25 0.87 -0.68 -2.90 113.55 114.36 2kvr h SER 74 Ca -0.01 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2kvr h SER 74 Cb 1.13 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2kvr h SER 74 CO 0.08 1.09 -0.15 1.56 -0.53 0.00 0.00 176.83 178.88 2kvr h GLN 75 N 0.62 0.00 0.00 2.24 1.08 -1.45 -0.74 115.11 116.87 2kvr h GLN 75 Ca 0.08 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2kvr h GLN 75 Cb 0.78 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2kvr h GLN 75 CO 0.06 0.00 -1.52 -2.37 -0.95 0.00 0.00 178.83 174.05 2kvr n THR 76 N -2.37 0.48 -0.00 -0.54 5.66 -1.10 -4.65 114.28 111.76 2kvr n THR 76 Ca 0.05 -0.56 -0.00 0.00 -3.05 0.00 0.00 64.05 60.48 2kvr n THR 76 Cb 0.45 -0.26 -0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 -2.54 0.01 0.00 1.09 2.81 -1.10 -5.02 117.12 112.37 2kvr n MET 77 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2kvr n MET 77 Cb 0.63 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 32.19 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 3.42 0.95 3.69 3.03 0.00 -0.28 -4.97 105.19 111.03 2kvr n GLY 78 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 2.98 0.14 1.61 0.40 -1.24 -4.99 117.98 114.88 2kvr s PHE 79 Ca 0.00 0.99 -0.32 0.00 -0.60 0.00 0.00 56.93 57.00 2kvr s PHE 79 Cb 0.00 -3.55 -0.11 0.00 0.51 0.00 0.00 43.02 39.87 2kvr s PHE 79 CO 0.00 -1.93 1.81 -0.35 0.70 0.00 0.00 175.22 175.44 2kvr n PRO 80 N 5.42 2.76 -0.23 0.24 -0.04 -1.26 -4.18 135.00 137.72 2kvr n PRO 80 Ca 0.12 1.00 0.14 0.00 -0.04 0.00 0.00 63.50 64.73 2kvr n PRO 80 Cb 0.45 -2.88 0.44 0.00 -0.04 0.00 0.00 33.50 31.46 2kvr n PRO 80 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2kvr h GLN 81 N 8.07 0.54 0.00 0.54 3.07 -1.92 0.15 115.11 125.56 2kvr h GLN 81 Ca -0.46 -0.03 -0.05 0.00 0.09 0.00 0.00 58.65 58.20 2kvr h GLN 81 Cb 1.22 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.65 2kvr h GLN 81 CO 0.95 0.36 -0.25 0.22 0.09 0.00 0.00 178.83 180.20 2kvr h ASP 82 N 0.56 0.00 -0.00 0.06 3.58 -1.94 -3.08 116.42 115.59 2kvr h ASP 82 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2kvr h ASP 82 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kvr h ASP 82 CO -0.17 0.25 -0.55 1.67 -2.88 0.00 0.00 179.24 177.56 2kvr n GLN 83 N -4.07 2.79 -1.66 0.28 7.27 -0.29 -4.98 117.38 116.72 2kvr n GLN 83 Ca -0.02 -0.08 -0.43 0.00 0.07 0.00 0.00 57.00 56.54 2kvr n GLN 83 Cb 0.32 -1.10 -0.03 0.00 2.41 0.00 0.00 30.24 31.84 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 -2.11 3.05 0.09 1.69 1.01 0.37 -4.46 121.20 120.84 2kvr s ILE 84 Ca 0.05 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.84 2kvr s ILE 84 Cb 0.09 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2kvr s ILE 84 CO 0.49 -0.03 -0.15 -0.13 0.00 0.00 0.00 174.94 175.12 2kvr s ARG 85 N 5.55 1.98 -0.01 2.79 0.52 -0.54 -5.01 118.95 124.23 2kvr s ARG 85 Ca 0.94 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2kvr s ARG 85 Cb -0.36 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.89 2kvr s ARG 85 CO 0.37 0.51 -0.17 -0.51 0.02 0.00 0.00 175.30 175.52 2kvr s LEU 86 N -2.00 2.02 -0.22 2.53 1.43 -1.26 -0.64 118.68 120.55 2kvr s LEU 86 Ca 0.18 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2kvr s LEU 86 Cb -0.11 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.27 2kvr s LEU 86 CO 0.10 0.21 -0.14 0.26 0.23 0.00 0.00 176.35 177.01 2kvr s TRP 87 N -0.37 2.88 0.43 0.29 0.52 -0.62 -1.66 118.94 120.42 2kvr s TRP 87 Ca 0.06 -1.90 -0.24 0.00 0.02 0.00 0.00 56.10 54.03 2kvr s TRP 87 Cb -0.07 -1.85 -0.08 0.00 -1.15 0.00 0.00 33.47 30.32 2kvr s TRP 87 CO -0.00 -0.82 1.21 -1.25 0.02 0.00 0.00 176.95 176.11 2kvr s PRO 88 N 1.24 3.86 -0.73 4.98 0.04 -1.26 -1.13 135.00 142.00 2kvr s PRO 88 Ca -0.02 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 2kvr s PRO 88 Cb -0.17 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.69 2kvr s PRO 88 CO -0.09 -0.51 2.36 0.00 0.04 0.00 0.00 177.00 178.81 2kvr s MET 89 N -2.47 1.80 0.03 4.56 0.23 -0.82 -4.90 119.30 117.74 2kvr s MET 89 Ca 0.60 0.64 -0.16 0.00 -1.03 0.00 0.00 55.69 55.75 2kvr s MET 89 Cb -0.32 -4.75 -0.06 0.00 -1.53 0.00 0.00 34.83 28.17 2kvr s MET 89 CO 0.40 -4.07 0.47 -1.14 -2.03 0.00 0.00 175.02 168.65 2kvr s GLN 90 N 8.57 4.00 -1.29 3.16 0.74 -1.26 -4.99 119.66 128.59 2kvr s GLN 90 Ca 0.91 0.51 -0.15 0.00 0.05 0.00 0.00 55.36 56.69 2kvr s GLN 90 Cb -0.13 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.74 2kvr s GLN 90 CO 0.12 0.66 2.27 0.00 -0.55 0.00 0.00 175.29 177.79 2kvr n ALA 91 N 1.70 5.31 -2.44 1.58 0.00 -1.26 -4.87 120.51 120.53 2kvr n ALA 91 Ca -0.12 -3.54 -0.43 0.00 0.00 0.00 0.00 53.44 49.35 2kvr n ALA 91 Cb 0.52 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.48 2kvr n ALA 91 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kvr n ARG 92 N 5.74 3.23 -2.93 0.00 -4.01 -1.25 -4.69 116.66 112.75 2kvr n ARG 92 Ca 0.55 -3.31 -0.12 0.00 -1.04 0.00 0.00 57.85 53.94 2kvr n ARG 92 Cb 0.35 -3.25 -0.02 0.00 -3.04 0.00 0.00 32.46 26.50 2kvr n ARG 92 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2kvr n SER 93 N 6.46 2.47 -4.64 2.89 2.88 -0.15 -4.84 113.62 118.69 2kvr n SER 93 Ca 0.45 -1.79 -0.43 0.00 -1.33 0.00 0.00 58.87 55.78 2kvr n SER 93 Cb 0.42 0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.00 6.30 0.00 -3.46 0.01 -1.26 -2.54 114.94 111.99 2kvr s ASN 94 Ca 0.00 2.05 0.00 0.00 -0.71 0.00 0.00 52.86 54.20 2kvr s ASN 94 Cb -0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2kvr s ASN 94 CO 0.00 -1.26 0.00 0.61 -1.51 0.00 0.00 177.10 174.95 2kvr n GLY 95 N 4.70 2.80 2.88 0.66 0.00 -1.26 -5.02 105.19 109.95 2kvr n GLY 95 Ca 0.21 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.10 -0.47 -0.28 2.61 2.01 -1.05 -5.11 115.64 113.24 2kvr s THR 96 Ca 0.00 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2kvr s THR 96 Cb 0.00 -0.71 0.16 0.00 0.01 0.00 0.00 72.50 71.96 2kvr s THR 96 CO 0.00 -0.12 0.41 -0.75 -0.69 0.00 0.00 174.62 173.47 2kvr s LYS 97 N 2.45 0.41 -0.44 4.92 2.20 -1.25 -0.97 119.74 127.05 2kvr s LYS 97 Ca 0.08 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 56.01 2kvr s LYS 97 Cb -0.15 -0.31 0.27 0.00 -1.51 0.00 0.00 37.83 36.13 2kvr s LYS 97 CO -0.13 -0.94 0.83 -2.13 -0.36 0.00 0.00 175.35 172.61 2kvr n ARG 98 N 5.36 0.84 -2.44 4.03 0.63 -1.26 -5.03 116.66 118.79 2kvr n ARG 98 Ca -0.00 -2.36 -0.42 0.00 -0.92 0.00 0.00 57.85 54.14 2kvr n ARG 98 Cb 0.50 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 32.03 2kvr n ARG 98 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kvr s PRO 99 N -0.28 4.42 0.06 -0.14 0.04 -1.26 -5.04 135.00 132.80 2kvr s PRO 99 Ca 0.32 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2kvr s PRO 99 Cb 0.24 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2kvr s PRO 99 CO -0.15 -0.29 -0.05 0.00 0.04 0.00 0.00 177.00 176.55 2kvr s ALA 100 N 1.30 0.60 0.69 8.56 0.00 -1.26 -5.14 121.76 126.50 2kvr s ALA 100 Ca 0.58 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 2kvr s ALA 100 Cb -0.28 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2kvr s ALA 100 CO 0.28 -0.21 1.08 0.00 0.00 0.00 0.00 175.76 176.91 2kvr s MET 101 N -2.91 2.78 0.72 0.00 0.23 -1.26 -4.33 119.30 114.52 2kvr s MET 101 Ca 0.00 1.19 -0.15 0.00 -1.03 0.00 0.00 55.69 55.71 2kvr s MET 101 Cb -0.00 -1.96 0.03 0.00 -1.53 0.00 0.00 34.83 31.37 2kvr s MET 101 CO -0.04 -1.24 1.17 -0.51 -2.03 0.00 0.00 175.02 172.37 2kvr s LEU 102 N -5.25 3.30 -0.45 0.18 2.01 -0.66 -4.90 118.68 112.91 2kvr s LEU 102 Ca 0.62 2.22 -0.27 0.00 0.01 0.00 0.00 54.13 56.72 2kvr s LEU 102 Cb -0.17 -4.57 -0.05 0.00 0.01 0.00 0.00 46.19 41.41 2kvr s LEU 102 CO 0.48 -2.11 2.17 -1.81 1.01 0.00 0.00 176.35 176.08 2kvr s ASP 103 N -2.27 5.01 0.41 2.29 1.11 -1.26 -4.85 116.67 117.10 2kvr s ASP 103 Ca 0.71 1.09 0.10 0.00 0.18 0.00 0.00 52.55 54.63 2kvr s ASP 103 Cb -0.26 -2.51 0.86 0.00 1.07 0.00 0.00 42.92 42.08 2kvr s ASP 103 CO 0.45 -2.44 1.97 -1.13 1.18 0.00 0.00 175.17 175.19 2kvr h ASN 104 N 16.80 0.23 -0.44 0.27 -0.00 -1.99 0.42 115.58 130.88 2kvr h ASN 104 Ca -0.29 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.30 55.86 2kvr h ASN 104 Cb 1.22 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.47 2kvr h ASN 104 CO 1.12 0.33 -0.14 -0.08 -0.00 0.00 0.00 177.43 178.65 2kvr h GLU 105 N 0.24 0.92 0.22 6.67 4.81 -1.94 -3.06 114.58 122.44 2kvr h GLU 105 Ca 0.05 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2kvr h GLU 105 Cb 0.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2kvr h GLU 105 CO 0.01 1.00 -0.10 0.00 -0.73 0.00 0.00 179.01 179.18 2kvr h ALA 106 N 1.02 -0.29 0.14 2.92 0.00 -1.21 -3.33 119.26 118.51 2kvr h ALA 106 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kvr h ALA 106 Cb 0.68 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kvr h ALA 106 CO 0.05 -0.37 -0.07 0.38 0.00 0.00 0.00 179.25 179.24 2kvr h ASP 107 N -0.88 -0.16 0.00 0.00 3.04 -1.12 -2.66 116.42 114.64 2kvr h ASP 107 Ca -0.03 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 2kvr h ASP 107 Cb 0.51 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 2kvr h ASP 107 CO 0.05 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2kvr n GLY 108 N -0.95 1.09 0.00 7.15 0.00 -1.16 -2.47 105.19 108.85 2kvr n GLY 108 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 2.82 -1.61 1.61 2.85 -1.01 -4.66 115.26 115.25 2kvr n ASN 109 Ca 0.00 -0.21 -0.05 0.00 -0.11 0.00 0.00 54.58 54.21 2kvr n ASN 109 Cb 0.20 0.98 -0.02 0.00 1.24 0.00 0.00 39.78 42.17 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 -1.26 0.12 -2.14 1.20 -0.00 -1.03 -5.02 118.16 110.03 2kvr n LYS 110 Ca 0.00 -0.91 -0.33 0.00 -0.00 0.00 0.00 58.31 57.08 2kvr n LYS 110 Cb 0.00 0.76 -0.00 0.00 -0.00 0.00 0.00 35.03 35.78 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 -2.39 4.01 -1.41 0.58 -4.23 -1.26 -1.59 115.64 109.35 2kvr s THR 111 Ca 0.11 0.96 0.28 0.00 -1.18 0.00 0.00 61.69 61.85 2kvr s THR 111 Cb 0.00 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.69 2kvr s THR 111 CO 0.08 -0.56 1.78 1.15 -0.54 0.00 0.00 174.62 176.53 2kvr n MET 112 N -1.90 0.43 0.18 3.99 0.00 -1.04 -3.41 117.12 115.37 2kvr n MET 112 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 57.70 57.66 2kvr n MET 112 Cb 0.53 -1.50 0.40 0.00 0.00 0.00 0.00 33.22 32.65 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 0.37 1.21 -0.44 3.17 6.09 -1.56 -2.80 117.51 123.56 2kvr h ILE 113 Ca 0.00 -1.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.35 2kvr h ILE 113 Cb 0.42 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.19 2kvr h ILE 113 CO 0.00 0.29 -0.27 -0.33 -3.07 0.00 0.00 178.15 174.77 2kvr h GLU 114 N 0.06 0.95 -0.02 2.19 5.08 -1.85 0.83 114.58 121.81 2kvr h GLU 114 Ca 0.01 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 2kvr h GLU 114 Cb 0.51 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2kvr h GLU 114 CO 0.04 1.10 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.69 2kvr h LEU 115 N 0.81 0.37 -0.68 1.33 3.38 -1.74 -3.26 115.31 115.51 2kvr h LEU 115 Ca 0.09 -0.73 -0.12 0.00 0.09 0.00 0.00 57.88 57.21 2kvr h LEU 115 Cb 0.85 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2kvr h LEU 115 CO 0.07 1.05 -0.24 0.77 0.09 0.00 0.00 178.44 180.19 2kvr h SER 116 N -0.28 0.79 -5.59 -0.43 4.64 -1.52 -3.48 113.55 107.68 2kvr h SER 116 Ca -0.04 -0.29 -0.27 0.00 -0.47 0.00 0.00 61.79 60.72 2kvr h SER 116 Cb 1.09 -0.22 0.17 0.00 -0.31 0.00 0.00 62.40 63.13 2kvr h SER 116 CO 0.08 1.00 -0.82 -0.67 -0.87 0.00 0.00 176.83 175.54 2kvr n ASP 117 N -4.11 -6.49 -1.07 4.97 2.03 0.28 -3.85 116.55 108.31 2kvr n ASP 117 Ca -0.00 -0.73 -0.14 0.00 0.52 0.00 0.00 54.79 54.44 2kvr n ASP 117 Cb 0.44 -4.88 -0.06 0.00 -0.72 0.00 0.00 41.12 35.90 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 -3.04 -4.76 -4.86 1.67 3.02 -1.21 -4.99 115.26 101.09 2kvr n ASN 118 Ca -0.07 0.35 -0.32 0.00 -0.03 0.00 0.00 54.58 54.50 2kvr n ASN 118 Cb 0.61 -3.50 -0.05 0.00 -0.61 0.00 0.00 39.78 36.23 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 -3.17 3.28 -0.26 3.52 -1.05 -1.25 -5.12 118.70 114.65 2kvr s GLU 119 Ca 0.00 -0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 54.13 2kvr s GLU 119 Cb 0.00 -2.98 0.07 0.00 -0.44 0.00 0.00 34.13 30.78 2kvr s GLU 119 CO 0.00 0.64 0.72 0.54 0.95 0.00 0.00 175.26 178.11 2kvr s ASN 120 N -2.08 -0.75 -0.09 0.83 6.03 -1.26 -4.27 114.94 113.35 2kvr s ASN 120 Ca 0.28 1.42 -0.30 0.00 -1.03 0.00 0.00 52.86 53.24 2kvr s ASN 120 Cb -0.12 1.44 -0.02 0.00 -3.03 0.00 0.00 41.25 39.51 2kvr s ASN 120 CO 0.20 -0.26 1.06 -2.16 -2.03 0.00 0.00 177.10 173.90 2kvr s PRO 121 N 0.32 4.40 -0.52 3.55 0.04 -1.26 -4.96 135.00 136.57 2kvr s PRO 121 Ca -0.00 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 2kvr s PRO 121 Cb -0.05 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 30.98 2kvr s PRO 121 CO 0.01 -0.35 1.15 -0.46 0.04 0.00 0.00 177.00 177.39 2kvr s TRP 122 N 2.07 2.73 -0.01 0.56 -0.00 -0.63 -4.64 118.94 119.02 2kvr s TRP 122 Ca 0.50 0.56 -0.30 0.00 -0.00 0.00 0.00 56.10 56.86 2kvr s TRP 122 Cb -0.20 -4.44 -0.03 0.00 -0.00 0.00 0.00 33.47 28.79 2kvr s TRP 122 CO 0.19 -1.40 1.07 0.99 -0.00 0.00 0.00 176.95 177.80 2kvr s THR 123 N 4.62 4.56 -0.02 5.86 2.01 -1.26 -1.00 115.64 130.41 2kvr s THR 123 Ca 0.45 1.84 -0.07 0.00 0.31 0.00 0.00 61.69 64.22 2kvr s THR 123 Cb -0.07 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2kvr s THR 123 CO 0.29 0.10 0.16 -0.51 -0.69 0.00 0.00 174.62 173.97 2kvr s ILE 124 N 1.35 0.06 -0.18 1.82 2.07 -0.39 -1.94 121.20 123.98 2kvr s ILE 124 Ca 0.54 -0.46 -0.09 0.00 -1.41 0.00 0.00 60.65 59.23 2kvr s ILE 124 Cb -0.23 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 2kvr s ILE 124 CO 0.26 -0.25 0.11 -0.36 -1.91 0.00 0.00 174.94 172.79 2kvr s PHE 125 N -0.91 3.40 0.01 3.50 0.08 -0.29 -3.78 117.98 120.01 2kvr s PHE 125 Ca -0.10 0.31 -0.24 0.00 0.12 0.00 0.00 56.93 57.01 2kvr s PHE 125 Cb -0.05 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 2kvr s PHE 125 CO 0.01 0.35 0.74 -1.17 -0.10 0.00 0.00 175.22 175.05 2kvr s LEU 126 N 0.07 4.41 0.09 -0.37 0.20 -1.23 -1.59 118.68 120.25 2kvr s LEU 126 Ca 0.08 1.37 0.05 0.00 0.69 0.00 0.00 54.13 56.32 2kvr s LEU 126 Cb -0.11 -3.17 -0.03 0.00 -0.43 0.00 0.00 46.19 42.44 2kvr s LEU 126 CO -0.00 -0.01 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.21 2kvr s GLU 127 N 0.15 0.86 0.00 1.98 2.56 0.19 -4.95 118.70 119.49 2kvr s GLU 127 Ca 0.38 -1.04 0.22 0.00 0.00 0.00 0.00 54.97 54.53 2kvr s GLU 127 Cb -0.20 -0.81 0.18 0.00 2.00 0.00 0.00 34.13 35.30 2kvr s GLU 127 CO 0.21 0.17 1.20 2.41 -0.56 0.00 0.00 175.26 178.69