#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 0.11 -0.60 0.54 3.07 -2.05 -3.32 115.11 112.86 2kvr h GLN 2 Ca 0.00 -0.15 0.02 0.00 0.09 0.00 0.00 58.65 58.61 2kvr h GLN 2 Cb 0.00 0.05 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 2kvr h GLN 2 CO 0.00 1.00 0.40 -0.56 0.09 0.00 0.00 178.83 179.76 2kvr h GLN 3 N 0.05 0.73 0.20 0.06 -0.00 -2.05 0.20 115.11 114.29 2kvr h GLN 3 Ca -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2kvr h GLN 3 Cb 1.68 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 29.00 2kvr h GLN 3 CO 0.14 0.48 -0.11 -0.07 -0.00 0.00 0.00 178.83 179.28 2kvr h LEU 4 N 0.75 -0.26 0.00 0.06 -0.00 -2.01 -2.23 115.31 111.62 2kvr h LEU 4 Ca 0.23 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 58.03 2kvr h LEU 4 Cb -0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2kvr h LEU 4 CO -0.06 -0.18 -0.51 1.62 -0.00 0.00 0.00 178.44 179.31 2kvr h VAL 5 N -0.29 0.66 0.41 1.22 3.04 -1.65 -3.06 116.25 116.58 2kvr h VAL 5 Ca -0.02 -1.96 -0.02 0.00 -1.01 0.00 0.00 66.70 63.69 2kvr h VAL 5 Cb 0.23 2.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2kvr h VAL 5 CO 0.03 0.38 -0.20 -0.08 -1.01 0.00 0.00 177.57 176.69 2kvr h GLU 6 N 0.00 -0.53 0.00 4.17 4.81 -0.51 -1.67 114.58 120.86 2kvr h GLU 6 Ca -0.02 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2kvr h GLU 6 Cb 1.33 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 2kvr h GLU 6 CO 0.05 -0.22 -0.43 0.07 -0.73 0.00 0.00 179.01 177.75 2kvr h ARG 7 N -0.86 0.00 0.23 1.92 -0.00 -1.55 -1.23 114.38 112.89 2kvr h ARG 7 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 2kvr h ARG 7 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.52 2kvr h ARG 7 CO 0.09 0.43 -0.11 1.25 -0.00 0.00 0.00 179.97 181.63 2kvr h LEU 8 N 0.00 -0.27 -0.60 0.08 6.46 -1.47 -2.18 115.31 117.32 2kvr h LEU 8 Ca -0.00 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 2kvr h LEU 8 Cb 0.81 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 2kvr h LEU 8 CO 0.06 -0.17 0.18 1.56 -0.62 0.00 0.00 178.44 179.44 2kvr h GLN 9 N -0.33 0.95 -1.00 1.25 4.20 -1.13 -0.87 115.11 118.18 2kvr h GLN 9 Ca -0.03 -0.21 0.10 0.00 0.06 0.00 0.00 58.65 58.56 2kvr h GLN 9 Cb 0.26 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 2kvr h GLN 9 CO 0.05 0.85 0.64 1.49 -0.67 0.00 0.00 178.83 181.20 2kvr h GLU 10 N 0.87 1.04 0.00 1.46 4.22 -1.08 -2.64 114.58 118.45 2kvr h GLU 10 Ca 0.19 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.52 2kvr h GLU 10 Cb 0.31 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2kvr h GLU 10 CO -0.00 0.69 -0.27 0.93 -2.18 0.00 0.00 179.01 178.18 2kvr h GLU 11 N 1.07 0.00 0.00 1.92 5.08 -1.31 -3.39 114.58 117.95 2kvr h GLU 11 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2kvr h GLU 11 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kvr h GLU 11 CO -0.23 0.94 0.00 1.57 -1.00 0.00 0.00 179.01 180.29 2kvr h LYS 12 N -1.00 0.00 -0.18 2.33 2.10 -0.86 -2.97 116.57 115.99 2kvr h LYS 12 Ca -0.07 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.63 2kvr h LYS 12 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 2kvr h LYS 12 CO -0.04 0.00 0.69 0.07 -2.00 0.00 0.00 179.45 178.17 2kvr h ARG 13 N 0.00 0.00 0.00 0.07 -0.00 -1.68 -1.35 114.38 111.41 2kvr h ARG 13 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2kvr h ARG 13 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.10 2kvr h ARG 13 CO 0.00 0.00 -0.13 -0.84 -0.00 0.00 0.00 179.97 179.00 2kvr h ILE 14 N 0.00 0.41 0.00 0.08 -2.65 -1.86 -3.28 117.51 110.22 2kvr h ILE 14 Ca 0.09 -0.75 0.00 0.00 1.03 0.00 0.00 64.86 65.23 2kvr h ILE 14 Cb 1.47 1.54 0.00 0.00 -2.05 0.00 0.00 36.82 37.77 2kvr h ILE 14 CO -0.00 0.13 0.00 -1.84 0.03 0.00 0.00 178.15 176.47 2kvr n GLU 15 N -3.39 0.10 -0.35 0.16 -0.00 -0.51 -1.28 120.64 115.37 2kvr n GLU 15 Ca -0.01 0.55 0.12 0.00 -0.00 0.00 0.00 57.16 57.82 2kvr n GLU 15 Cb 0.32 -1.80 0.32 0.00 -0.00 0.00 0.00 31.44 30.28 2kvr n GLU 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kvr h ALA 16 N 2.07 1.67 0.00 -1.84 0.00 -1.82 -2.18 119.26 117.16 2kvr h ALA 16 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2kvr h ALA 16 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2kvr h ALA 16 CO 0.00 -0.02 -1.80 1.04 0.00 0.00 0.00 179.25 178.46 2kvr n GLN 17 N -4.73 0.35 -0.09 0.00 6.02 -0.68 -4.65 117.38 113.60 2kvr n GLN 17 Ca 0.23 0.09 -0.04 0.00 -0.01 0.00 0.00 57.00 57.26 2kvr n GLN 17 Cb 0.54 -1.26 0.18 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.04 0.74 0.00 -1.09 1.63 -1.24 -1.94 116.57 114.63 2kvr h LYS 18 Ca -0.32 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2kvr h LYS 18 Cb 1.47 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 2kvr h LYS 18 CO -0.06 0.76 0.00 -2.13 -3.45 0.00 0.00 179.45 174.57 2kvr n ARG 19 N -4.22 0.23 -3.14 1.90 0.63 -0.82 -4.36 116.66 106.87 2kvr n ARG 19 Ca 0.02 0.24 -0.43 0.00 -0.92 0.00 0.00 57.85 56.76 2kvr n ARG 19 Cb 0.30 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.42 2kvr n ARG 19 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kvr n LYS 20 N -2.19 4.07 0.00 -0.14 3.00 -0.73 -4.63 118.16 117.53 2kvr n LYS 20 Ca 0.05 -4.53 0.00 0.00 -0.00 0.00 0.00 58.31 53.83 2kvr n LYS 20 Cb 0.38 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 32.90 2kvr n LYS 20 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2kvr n GLU 21 N 1.74 0.00 -3.84 1.64 -0.00 -1.26 -4.95 120.64 113.96 2kvr n GLU 21 Ca 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.37 2kvr n GLU 21 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.81 2kvr n GLU 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2kvr s ARG 22 N -0.29 1.54 -0.20 3.44 6.06 -1.26 -5.11 118.95 123.12 2kvr s ARG 22 Ca 0.00 -0.97 -0.16 0.00 -2.50 0.00 0.00 55.73 52.10 2kvr s ARG 22 Cb 0.00 0.44 -0.08 0.00 0.06 0.00 0.00 34.95 35.38 2kvr s ARG 22 CO 0.00 -0.72 -0.31 1.04 -2.50 0.00 0.00 175.30 172.81 2kvr n GLN 23 N -0.62 0.54 -3.95 5.12 1.13 -1.26 -4.93 117.38 113.41 2kvr n GLN 23 Ca -0.05 0.28 -0.30 0.00 -1.94 0.00 0.00 57.00 54.98 2kvr n GLN 23 Cb 0.60 -1.49 -0.15 0.00 0.11 0.00 0.00 30.24 29.30 2kvr n GLN 23 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2kvr s GLU 24 N -2.72 1.67 0.00 -1.09 2.02 -1.26 -4.83 118.70 112.50 2kvr s GLU 24 Ca -0.30 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.65 2kvr s GLU 24 Cb 0.06 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2kvr s GLU 24 CO 0.43 -0.61 0.00 0.00 0.02 0.00 0.00 175.26 175.10 2kvr n ALA 25 N 4.64 0.00 0.00 5.21 0.00 -1.26 -5.00 120.51 124.11 2kvr n ALA 25 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2kvr n ALA 25 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.92 115.22 113.77 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 -0.26 0.25 0.00 0.12 0.00 0.00 29.99 30.10 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 -1.23 0.00 -0.73 2.39 7.99 -1.26 -4.30 117.00 119.86 2kvr n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2kvr n LEU 27 Cb 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2kvr n LEU 27 CO 0.00 0.00 0.04 -1.22 -1.51 0.00 0.00 177.39 174.70 2kvr n TYR 28 N -0.70 0.00 -1.51 -1.77 4.01 -1.15 -1.01 117.16 115.03 2kvr n TYR 28 Ca 0.06 -0.03 -0.51 0.00 -0.16 0.00 0.00 57.90 57.26 2kvr n TYR 28 Cb 0.03 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 38.95 2kvr n TYR 28 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2kvr n MET 29 N 0.67 0.55 -3.12 -0.72 0.00 -0.15 -2.68 117.12 111.67 2kvr n MET 29 Ca 0.00 0.20 -0.39 0.00 -0.00 0.00 0.00 57.70 57.51 2kvr n MET 29 Cb 0.04 -1.56 -0.06 0.00 0.00 0.00 0.00 33.22 31.64 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 -0.47 4.39 -0.14 2.12 1.11 -1.26 -1.08 119.66 124.34 2kvr s GLN 30 Ca 0.75 0.96 0.02 0.00 0.01 0.00 0.00 55.36 57.10 2kvr s GLN 30 Cb -0.98 -3.25 0.02 0.00 -1.01 0.00 0.00 33.01 27.78 2kvr s GLN 30 CO 0.55 0.60 -0.18 0.54 0.01 0.00 0.00 175.29 176.81 2kvr s VAL 31 N -1.13 1.79 -0.77 1.09 0.11 -0.54 -2.11 120.40 118.85 2kvr s VAL 31 Ca 0.32 -0.80 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 2kvr s VAL 31 Cb -0.21 -1.62 0.05 0.00 -1.53 0.00 0.00 36.38 33.07 2kvr s VAL 31 CO 0.23 0.50 1.20 -1.10 -3.33 0.00 0.00 175.10 172.59 2kvr s GLN 32 N 1.09 3.25 0.08 1.54 -0.21 0.38 -2.20 119.66 123.59 2kvr s GLN 32 Ca -0.02 -0.63 -0.16 0.00 0.02 0.00 0.00 55.36 54.56 2kvr s GLN 32 Cb -0.14 -4.40 -0.07 0.00 1.00 0.00 0.00 33.01 29.40 2kvr s GLN 32 CO -0.06 -2.04 0.52 0.42 -2.12 0.00 0.00 175.29 172.02 2kvr s ILE 33 N 4.95 4.85 -0.03 1.08 -1.09 0.11 -1.21 121.20 129.86 2kvr s ILE 33 Ca 0.33 0.98 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 2kvr s ILE 33 Cb -0.09 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 2kvr s ILE 33 CO 0.09 0.45 -0.01 0.68 -1.23 0.00 0.00 174.94 174.91 2kvr s VAL 34 N -1.23 0.26 -0.14 2.92 -7.23 -1.17 -1.48 120.40 112.33 2kvr s VAL 34 Ca 0.31 0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.35 2kvr s VAL 34 Cb -0.17 -0.33 0.04 0.00 0.56 0.00 0.00 36.38 36.48 2kvr s VAL 34 CO 0.18 0.15 0.42 0.00 -0.31 0.00 0.00 175.10 175.54 2kvr s ALA 35 N 0.89 -1.04 -0.21 1.32 0.00 -1.26 -2.45 121.76 119.01 2kvr s ALA 35 Ca -0.10 1.10 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2kvr s ALA 35 Cb -0.13 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.44 2kvr s ALA 35 CO -0.01 -0.21 -0.15 -2.00 0.00 0.00 0.00 175.76 173.39 2kvr s GLU 36 N 0.00 2.52 0.00 0.00 2.12 -1.26 -4.49 118.70 117.59 2kvr s GLU 36 Ca -0.02 -0.96 0.19 0.00 0.36 0.00 0.00 54.97 54.53 2kvr s GLU 36 Cb -0.03 -2.60 0.64 0.00 0.26 0.00 0.00 34.13 32.40 2kvr s GLU 36 CO 0.01 -0.36 1.48 -3.47 -0.54 0.00 0.00 175.26 172.38 2kvr n ASP 37 N 4.59 1.79 -0.01 -1.70 2.03 -0.91 -4.34 116.55 117.99 2kvr n ASP 37 Ca -0.17 -1.79 -0.17 0.00 0.52 0.00 0.00 54.79 53.18 2kvr n ASP 37 Cb 0.47 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 2kvr n ASP 37 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2kvr h GLN 38 N 2.26 0.45 0.00 -0.67 5.75 -1.85 0.18 115.11 121.22 2kvr h GLN 38 Ca 0.00 -0.42 -0.05 0.00 -0.15 0.00 0.00 58.65 58.03 2kvr h GLN 38 Cb 0.50 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 2kvr h GLN 38 CO 0.00 1.07 -0.22 0.27 -2.65 0.00 0.00 178.83 177.30 2kvr h PHE 39 N -0.02 0.00 0.00 3.99 -5.15 -1.99 -2.99 116.94 110.78 2kvr h PHE 39 Ca -0.06 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.56 2kvr h PHE 39 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.37 2kvr h PHE 39 CO 0.13 0.22 -1.17 0.00 -2.00 0.00 0.00 178.31 175.49 2kvr n GLY 41 N 1.35 4.58 3.63 0.00 0.00 0.61 -5.12 105.19 110.24 2kvr n GLY 41 Ca -0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 2.36 -0.87 0.05 1.61 -3.43 -1.26 -4.74 115.29 109.01 2kvr s HIS 42 Ca 0.00 1.69 0.03 0.00 -0.80 0.00 0.00 55.06 55.98 2kvr s HIS 42 Cb 0.00 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.64 2kvr s HIS 42 CO 0.00 -0.43 -0.10 1.14 -2.00 0.00 0.00 174.74 173.35 2kvr s GLN 43 N 1.67 0.62 -0.21 -0.38 -2.07 -1.26 -5.06 119.66 112.97 2kvr s GLN 43 Ca -0.09 -0.78 0.17 0.00 -1.82 0.00 0.00 55.36 52.85 2kvr s GLN 43 Cb -0.05 -0.47 0.47 0.00 -1.09 0.00 0.00 33.01 31.87 2kvr s GLN 43 CO -0.18 0.10 1.16 0.41 -1.32 0.00 0.00 175.29 175.46 2kvr n GLY 44 N 1.51 3.40 2.78 2.60 0.00 -1.26 -4.90 105.19 109.32 2kvr n GLY 44 Ca -0.22 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.49 6.69 -3.38 1.61 4.13 -1.26 -4.94 115.26 117.61 2kvr n ASN 45 Ca 0.19 -3.78 -0.32 0.00 1.68 0.00 0.00 54.58 52.35 2kvr n ASN 45 Cb 0.90 -0.92 -0.03 0.00 -1.54 0.00 0.00 39.78 38.19 2kvr n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kvr n ASP 46 N -0.42 4.41 0.00 6.41 8.00 -1.26 -1.18 116.55 132.50 2kvr n ASP 46 Ca 0.48 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.47 2kvr n ASP 46 Cb 0.34 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2kvr n ASP 46 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2kvr n MET 47 N 5.22 0.00 -2.78 -1.24 2.81 -1.26 -5.00 117.12 114.87 2kvr n MET 47 Ca 0.50 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 56.33 2kvr n MET 47 Cb 0.25 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.78 2kvr n MET 47 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2kvr n TYR 48 N -1.34 -3.57 -2.55 2.03 9.36 -0.33 -5.11 117.16 115.66 2kvr n TYR 48 Ca 0.00 -1.57 -0.41 0.00 3.32 0.00 0.00 57.90 59.24 2kvr n TYR 48 Cb 0.00 1.46 -0.03 0.00 -0.63 0.00 0.00 39.34 40.14 2kvr n TYR 48 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kvr s ASP 49 N -0.04 6.21 0.11 2.98 1.01 -1.04 -4.88 116.67 121.02 2kvr s ASP 49 Ca 0.31 -0.59 0.22 0.00 0.71 0.00 0.00 52.55 53.19 2kvr s ASP 49 Cb 0.08 -2.56 0.87 0.00 1.01 0.00 0.00 42.92 42.32 2kvr s ASP 49 CO -0.12 -1.79 1.67 -0.62 0.21 0.00 0.00 175.17 174.51 2kvr n GLU 50 N 9.31 0.10 0.00 8.23 1.02 -1.26 -0.32 120.64 137.71 2kvr n GLU 50 Ca 0.07 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.58 2kvr n GLU 50 Cb 0.49 -1.65 0.13 0.00 -0.02 0.00 0.00 31.44 30.38 2kvr n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kvr n GLU 51 N -1.83 0.74 -0.77 3.49 -0.58 -1.26 -4.25 120.64 116.18 2kvr n GLU 51 Ca 0.04 -0.55 0.02 0.00 -0.42 0.00 0.00 57.16 56.26 2kvr n GLU 51 Cb 0.26 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.66 2kvr n GLU 51 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kvr n LYS 52 N -0.65 0.17 -0.92 3.49 3.00 -0.60 -2.15 118.16 120.49 2kvr n LYS 52 Ca 0.09 -1.53 -0.30 0.00 -0.00 0.00 0.00 58.31 56.57 2kvr n LYS 52 Cb 0.39 -0.47 0.17 0.00 0.00 0.00 0.00 35.03 35.12 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 -0.36 2.41 0.00 3.15 -7.23 0.56 -4.90 120.40 114.03 2kvr s VAL 53 Ca 0.14 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 2kvr s VAL 53 Cb 0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2kvr s VAL 53 CO -0.05 -0.17 0.00 0.29 -0.31 0.00 0.00 175.10 174.86 2kvr n LYS 54 N -4.19 0.91 -1.53 4.82 4.01 -1.26 -4.78 118.16 116.13 2kvr n LYS 54 Ca 0.07 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.48 2kvr n LYS 54 Cb 0.54 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.99 2kvr n LYS 54 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2kvr n TYR 55 N -0.48 1.20 -2.38 2.13 4.01 -1.26 -4.90 117.16 115.47 2kvr n TYR 55 Ca 0.00 0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.54 2kvr n TYR 55 Cb 0.00 -2.56 -0.04 0.00 -0.31 0.00 0.00 39.34 36.44 2kvr n TYR 55 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kvr s THR 56 N 10.76 3.38 -0.02 -0.72 2.01 -0.55 -4.93 115.64 125.57 2kvr s THR 56 Ca 1.10 1.30 0.01 0.00 0.31 0.00 0.00 61.69 64.41 2kvr s THR 56 Cb -0.56 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.13 2kvr s THR 56 CO 0.35 0.28 -0.01 0.54 -0.69 0.00 0.00 174.62 175.09 2kvr s VAL 57 N -0.79 0.15 -0.10 3.82 0.11 -1.26 0.09 120.40 122.42 2kvr s VAL 57 Ca 0.48 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 2kvr s VAL 57 Cb -0.34 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2kvr s VAL 57 CO 0.42 0.09 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.78 2kvr s PHE 58 N 0.52 1.81 -0.58 1.54 0.08 -0.94 -4.93 117.98 115.48 2kvr s PHE 58 Ca -0.05 -0.82 -0.28 0.00 0.12 0.00 0.00 56.93 55.90 2kvr s PHE 58 Cb -0.08 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.08 2kvr s PHE 58 CO -0.01 -0.44 1.22 -1.59 -0.10 0.00 0.00 175.22 174.31 2kvr s LYS 59 N 0.99 3.49 0.08 0.44 0.00 -1.26 -1.46 119.74 122.02 2kvr s LYS 59 Ca -0.07 0.27 0.07 0.00 0.00 0.00 0.00 55.97 56.24 2kvr s LYS 59 Cb -0.15 -4.03 -0.03 0.00 0.00 0.00 0.00 37.83 33.62 2kvr s LYS 59 CO -0.01 -1.72 -0.19 0.14 0.00 0.00 0.00 175.35 173.57 2kvr s VAL 60 N 5.10 1.57 -0.62 1.79 -7.23 -0.24 -4.87 120.40 115.91 2kvr s VAL 60 Ca 0.44 -1.40 -0.27 0.00 -1.81 0.00 0.00 61.98 58.94 2kvr s VAL 60 Cb -0.08 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 2kvr s VAL 60 CO 0.25 -0.03 1.64 -0.76 -0.31 0.00 0.00 175.10 175.89 2kvr s LEU 61 N -1.69 3.29 0.45 1.32 2.01 -1.24 -0.98 118.68 121.85 2kvr s LEU 61 Ca 0.05 0.20 0.31 0.00 0.01 0.00 0.00 54.13 54.70 2kvr s LEU 61 Cb -0.10 -2.69 1.46 0.00 0.01 0.00 0.00 46.19 44.87 2kvr s LEU 61 CO 0.03 -2.09 1.94 0.07 1.01 0.00 0.00 176.35 177.31 2kvr h LYS 62 N 12.98 0.00 0.00 1.70 2.10 -1.38 -1.62 116.57 130.35 2kvr h LYS 62 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2kvr h LYS 62 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2kvr h LYS 62 CO 1.21 0.00 -0.33 0.27 -2.00 0.00 0.00 179.45 178.61 2kvr n ASN 63 N -2.70 0.51 -4.94 7.07 6.94 -1.26 -1.02 115.26 119.86 2kvr n ASN 63 Ca -0.00 0.20 -0.25 0.00 -0.02 0.00 0.00 54.58 54.51 2kvr n ASN 63 Cb 0.18 -0.15 0.06 0.00 -2.36 0.00 0.00 39.78 37.51 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2kvr s SER 64 N -3.68 4.98 0.63 0.53 0.15 -0.61 -4.83 113.70 110.88 2kvr s SER 64 Ca 0.10 0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.99 2kvr s SER 64 Cb 0.16 -1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 2kvr s SER 64 CO 0.65 -1.46 1.15 -0.44 1.20 0.00 0.00 173.24 174.34 2kvr s SER 65 N -4.48 5.13 0.32 5.45 0.01 -1.26 -1.82 113.70 117.05 2kvr s SER 65 Ca 0.59 2.16 0.06 0.00 1.31 0.00 0.00 55.95 60.08 2kvr s SER 65 Cb -0.11 -2.57 0.54 0.00 0.21 0.00 0.00 66.02 64.09 2kvr s SER 65 CO 0.44 -1.62 1.78 0.25 0.41 0.00 0.00 173.24 174.49 2kvr h LEU 66 N 0.41 0.32 -2.51 2.44 7.12 -1.42 -2.62 115.31 119.05 2kvr h LEU 66 Ca -0.48 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.42 2kvr h LEU 66 Cb 1.27 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2kvr h LEU 66 CO 0.54 0.59 -0.01 0.00 -0.13 0.00 0.00 178.44 179.43 2kvr h ALA 67 N 1.44 1.41 -0.24 1.25 0.00 -1.78 -0.24 119.26 121.09 2kvr h ALA 67 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2kvr h ALA 67 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kvr h ALA 67 CO 0.05 0.01 -0.45 0.93 0.00 0.00 0.00 179.25 179.79 2kvr h GLU 68 N 0.00 0.73 -0.70 0.00 4.39 -1.84 -2.32 114.58 114.84 2kvr h GLU 68 Ca -0.00 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.18 2kvr h GLU 68 Cb 0.03 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2kvr h GLU 68 CO 0.00 1.08 0.22 0.35 -1.16 0.00 0.00 179.01 179.51 2kvr h PHE 69 N 0.46 1.10 0.30 4.33 3.57 -1.18 -2.48 116.94 123.04 2kvr h PHE 69 Ca 0.01 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2kvr h PHE 69 Cb 1.05 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2kvr h PHE 69 CO 0.08 0.87 -0.14 0.28 -2.23 0.00 0.00 178.31 177.17 2kvr h VAL 70 N 1.03 0.73 -0.03 1.41 2.07 -1.12 -2.67 116.25 117.68 2kvr h VAL 70 Ca 0.23 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2kvr h VAL 70 Cb 0.28 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2kvr h VAL 70 CO -0.01 0.09 -0.10 0.06 0.02 0.00 0.00 177.57 177.63 2kvr h GLN 71 N -0.65 0.04 0.25 1.57 3.07 -1.41 -0.16 115.11 117.82 2kvr h GLN 71 Ca -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 2kvr h GLN 71 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2kvr h GLN 71 CO 0.07 0.14 -0.12 0.77 0.09 0.00 0.00 178.83 179.78 2kvr h SER 72 N 0.04 -0.29 -0.26 0.06 0.02 -1.43 -2.58 113.55 109.11 2kvr h SER 72 Ca 0.01 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2kvr h SER 72 Cb 0.20 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2kvr h SER 72 CO 0.01 -0.05 0.12 -0.07 -1.14 0.00 0.00 176.83 175.71 2kvr h LEU 73 N -0.53 0.38 -0.07 5.07 3.38 -1.02 -0.37 115.31 122.15 2kvr h LEU 73 Ca -0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kvr h LEU 73 Cb 0.39 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kvr h LEU 73 CO 0.06 0.35 0.03 -1.28 0.09 0.00 0.00 178.44 177.69 2kvr h SER 74 N 0.43 0.09 1.26 -0.43 0.87 -1.00 -2.16 113.55 112.61 2kvr h SER 74 Ca 0.11 -0.14 -0.11 0.00 -1.23 0.00 0.00 61.79 60.41 2kvr h SER 74 Cb 0.09 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2kvr h SER 74 CO -0.01 0.21 -0.77 1.56 -0.53 0.00 0.00 176.83 177.29 2kvr h GLN 75 N -0.03 0.00 0.00 2.24 1.08 -1.12 -1.27 115.11 116.00 2kvr h GLN 75 Ca 0.02 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.01 2kvr h GLN 75 Cb 0.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 2kvr h GLN 75 CO -0.00 0.39 -1.36 0.00 -0.95 0.00 0.00 178.83 176.91 2kvr h THR 76 N 0.00 0.86 0.00 -0.54 1.03 -1.11 -3.38 112.91 109.77 2kvr h THR 76 Ca -0.05 -2.51 -0.32 0.00 -0.01 0.00 0.00 66.41 63.52 2kvr h THR 76 Cb 1.40 2.35 -0.06 0.00 -1.07 0.00 0.00 68.15 70.77 2kvr h THR 76 CO 0.05 0.49 -2.21 0.23 -0.01 0.00 0.00 175.52 174.07 2kvr n MET 77 N -3.06 1.07 -0.26 0.00 2.81 -0.81 -5.01 117.12 111.86 2kvr n MET 77 Ca -0.10 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2kvr n MET 77 Cb 0.92 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 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 1.98 0.87 3.84 3.03 0.00 -0.51 -5.08 105.19 109.32 2kvr n GLY 78 Ca -0.30 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 3.37 -0.05 1.61 0.40 -1.02 -5.01 117.98 115.27 2kvr s PHE 79 Ca 0.00 1.29 -0.30 0.00 -0.60 0.00 0.00 56.93 57.32 2kvr s PHE 79 Cb 0.00 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 2kvr s PHE 79 CO 0.00 0.04 1.36 -1.25 0.70 0.00 0.00 175.22 176.07 2kvr s PRO 80 N -3.09 4.27 0.43 0.24 0.04 -1.26 -4.33 135.00 131.31 2kvr s PRO 80 Ca 0.56 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.57 2kvr s PRO 80 Cb -0.10 -3.66 0.94 0.00 0.04 0.00 0.00 34.50 31.72 2kvr s PRO 80 CO 0.18 -0.61 2.02 -0.56 0.04 0.00 0.00 177.00 178.06 2kvr h GLN 81 N 8.06 0.25 -0.06 4.56 3.07 -1.90 -1.44 115.11 127.65 2kvr h GLN 81 Ca -0.35 -0.03 -0.05 0.00 0.09 0.00 0.00 58.65 58.31 2kvr h GLN 81 Cb 1.16 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 2kvr h GLN 81 CO 0.92 0.27 -0.17 0.22 0.09 0.00 0.00 178.83 180.15 2kvr h ASP 82 N 0.25 0.09 0.00 0.06 3.58 -1.97 -3.18 116.42 115.25 2kvr h ASP 82 Ca 0.06 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kvr h ASP 82 Cb 0.15 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2kvr h ASP 82 CO 0.00 0.27 -0.02 1.67 -2.88 0.00 0.00 179.24 178.28 2kvr n GLN 83 N -4.29 1.78 -1.72 0.28 7.27 -0.90 -4.99 117.38 114.80 2kvr n GLN 83 Ca -0.02 -2.10 -0.39 0.00 0.07 0.00 0.00 57.00 54.56 2kvr n GLN 83 Cb 0.27 -1.27 -0.03 0.00 2.41 0.00 0.00 30.24 31.62 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 -2.06 3.14 -0.18 1.69 1.01 -0.59 -4.64 121.20 119.57 2kvr s ILE 84 Ca 0.19 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 2kvr s ILE 84 Cb 0.17 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2kvr s ILE 84 CO 0.02 -0.24 0.48 -0.13 0.00 0.00 0.00 174.94 175.07 2kvr s ARG 85 N 7.19 4.22 -0.12 2.79 3.00 -0.94 -4.95 118.95 130.14 2kvr s ARG 85 Ca 0.90 0.38 -0.05 0.00 0.00 0.00 0.00 55.73 56.96 2kvr s ARG 85 Cb -0.21 -3.53 -0.04 0.00 0.00 0.00 0.00 34.95 31.18 2kvr s ARG 85 CO 0.28 -0.05 0.04 -0.51 0.00 0.00 0.00 175.30 175.07 2kvr s LEU 86 N 1.32 3.79 -0.14 2.53 1.43 -1.26 -1.13 118.68 125.22 2kvr s LEU 86 Ca 0.23 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2kvr s LEU 86 Cb -0.15 -1.91 0.04 0.00 0.03 0.00 0.00 46.19 44.20 2kvr s LEU 86 CO 0.09 0.31 -0.02 0.26 0.23 0.00 0.00 176.35 177.23 2kvr s TRP 87 N -0.48 1.21 0.65 0.29 0.52 -0.99 -0.97 118.94 119.17 2kvr s TRP 87 Ca 0.10 -0.72 -0.16 0.00 0.02 0.00 0.00 56.10 55.34 2kvr s TRP 87 Cb -0.12 -1.09 -0.01 0.00 -1.15 0.00 0.00 33.47 31.11 2kvr s TRP 87 CO 0.02 -0.52 1.12 -1.25 0.02 0.00 0.00 176.95 176.34 2kvr s PRO 88 N 1.80 2.85 0.15 4.98 0.04 -1.26 -0.86 135.00 142.69 2kvr s PRO 88 Ca 0.02 1.43 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 2kvr s PRO 88 Cb -0.15 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 2kvr s PRO 88 CO -0.07 -1.22 1.73 0.00 0.04 0.00 0.00 177.00 177.48 2kvr s MET 89 N -3.98 4.16 -0.15 4.56 0.23 -1.08 -4.86 119.30 118.18 2kvr s MET 89 Ca 0.68 2.52 -0.04 0.00 -1.03 0.00 0.00 55.69 57.81 2kvr s MET 89 Cb -0.21 -3.38 0.07 0.00 -1.53 0.00 0.00 34.83 29.79 2kvr s MET 89 CO 0.40 -0.76 0.26 -1.14 -2.03 0.00 0.00 175.02 171.75 2kvr s GLN 90 N 2.02 0.17 0.32 3.16 2.00 -1.26 -5.01 119.66 121.05 2kvr s GLN 90 Ca 0.76 0.63 0.06 0.00 -2.00 0.00 0.00 55.36 54.82 2kvr s GLN 90 Cb -0.46 -0.28 0.55 0.00 0.80 0.00 0.00 33.01 33.62 2kvr s GLN 90 CO 0.34 -0.38 1.79 0.00 -0.50 0.00 0.00 175.29 176.54 2kvr h ALA 91 N 8.29 1.25 0.00 1.58 0.00 -2.00 -3.47 119.26 124.90 2kvr h ALA 91 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kvr h ALA 91 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kvr h ALA 91 CO 0.17 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.46 2kvr n ARG 92 N -4.15 -1.13 -2.31 0.00 1.74 -1.26 -4.92 116.66 104.63 2kvr n ARG 92 Ca -0.01 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.93 2kvr n ARG 92 Cb 0.37 -4.19 0.00 0.00 -1.02 0.00 0.00 32.46 27.62 2kvr n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kvr n SER 93 N -0.56 4.71 -4.02 0.55 2.88 -1.26 -4.76 113.62 111.16 2kvr n SER 93 Ca 0.00 -2.97 -0.09 0.00 -1.33 0.00 0.00 58.87 54.48 2kvr n SER 93 Cb 0.28 -1.60 -0.08 0.00 -0.75 0.00 0.00 64.21 62.05 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 2.60 0.20 0.19 -3.46 0.01 -1.26 -5.06 114.94 108.16 2kvr s ASN 94 Ca 0.45 -0.96 -0.11 0.00 -0.71 0.00 0.00 52.86 51.52 2kvr s ASN 94 Cb 0.08 0.34 0.17 0.00 0.41 0.00 0.00 41.25 42.24 2kvr s ASN 94 CO -0.01 -0.77 1.82 1.23 -1.51 0.00 0.00 177.10 177.85 2kvr h GLY 95 N 2.76 0.86 -6.40 0.66 0.00 -2.06 -3.40 103.07 95.49 2kvr h GLY 95 Ca -0.33 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 46.58 2kvr h GLY 95 CO 0.55 0.19 -0.50 -1.59 0.00 0.00 0.00 176.54 175.20 2kvr s THR 96 N -6.12 -0.62 -0.38 4.70 2.01 -1.26 -5.09 115.64 108.89 2kvr s THR 96 Ca -0.13 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2kvr s THR 96 Cb 0.14 -0.88 0.15 0.00 0.01 0.00 0.00 72.50 71.92 2kvr s THR 96 CO 0.75 -0.19 0.28 -0.75 -0.69 0.00 0.00 174.62 174.02 2kvr s LYS 97 N 2.55 0.69 -0.46 4.92 2.36 -1.26 -5.11 119.74 123.42 2kvr s LYS 97 Ca 0.12 -1.57 -0.28 0.00 -2.55 0.00 0.00 55.97 51.69 2kvr s LYS 97 Cb -0.14 -1.27 0.03 0.00 -1.05 0.00 0.00 37.83 35.39 2kvr s LYS 97 CO -0.21 -1.28 1.06 0.50 1.55 0.00 0.00 175.35 176.97 2kvr s ARG 98 N 0.73 3.70 0.46 4.03 3.00 -1.26 -4.87 118.95 124.75 2kvr s ARG 98 Ca 0.24 0.48 -0.19 0.00 -1.00 0.00 0.00 55.73 55.25 2kvr s ARG 98 Cb -0.12 -3.90 -0.10 0.00 0.00 0.00 0.00 34.95 30.83 2kvr s ARG 98 CO -0.07 -1.28 0.97 -1.25 0.00 0.00 0.00 175.30 173.67 2kvr s PRO 99 N 4.15 4.11 0.24 5.12 0.04 -1.26 -5.09 135.00 142.31 2kvr s PRO 99 Ca 0.44 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 2kvr s PRO 99 Cb -0.09 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2kvr s PRO 99 CO 0.28 -0.13 0.46 0.00 0.04 0.00 0.00 177.00 177.65 2kvr s ALA 100 N -2.34 -0.22 0.73 8.56 0.00 -1.26 -5.17 121.76 122.06 2kvr s ALA 100 Ca 0.61 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2kvr s ALA 100 Cb -0.10 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.11 2kvr s ALA 100 CO 0.20 -0.83 1.07 0.00 0.00 0.00 0.00 175.76 176.20 2kvr s MET 101 N -4.01 2.68 0.22 0.00 0.23 -1.26 -4.67 119.30 112.49 2kvr s MET 101 Ca 0.22 0.91 -0.30 0.00 -1.03 0.00 0.00 55.69 55.49 2kvr s MET 101 Cb -0.00 -1.96 -0.09 0.00 -1.53 0.00 0.00 34.83 31.25 2kvr s MET 101 CO 0.08 -1.27 1.12 -0.51 -2.03 0.00 0.00 175.02 172.41 2kvr s LEU 102 N -5.64 4.51 -0.49 0.18 2.01 -0.14 -4.97 118.68 114.13 2kvr s LEU 102 Ca 0.59 2.21 -0.29 0.00 0.01 0.00 0.00 54.13 56.65 2kvr s LEU 102 Cb -0.14 -3.61 0.03 0.00 0.01 0.00 0.00 46.19 42.47 2kvr s LEU 102 CO 0.55 -0.23 1.16 -1.81 1.01 0.00 0.00 176.35 177.04 2kvr s ASP 103 N -0.38 6.58 0.66 2.29 1.01 -1.26 -4.60 116.67 120.97 2kvr s ASP 103 Ca 0.48 0.42 0.40 0.00 0.71 0.00 0.00 52.55 54.56 2kvr s ASP 103 Cb -0.31 -2.55 2.18 0.00 1.01 0.00 0.00 42.92 43.24 2kvr s ASP 103 CO 0.38 -1.31 2.24 -1.13 0.21 0.00 0.00 175.17 175.56 2kvr h ASN 104 N 9.38 0.00 0.09 0.27 -0.00 -1.92 -0.01 115.58 123.39 2kvr h ASN 104 Ca -0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.06 2kvr h ASN 104 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 2kvr h ASN 104 CO 1.14 0.00 -0.04 -0.08 -0.00 0.00 0.00 177.43 178.44 2kvr h GLU 105 N 0.00 -0.12 0.87 6.67 4.57 -1.96 -2.78 114.58 121.83 2kvr h GLU 105 Ca 0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2kvr h GLU 105 Cb 0.20 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2kvr h GLU 105 CO -0.00 0.26 -0.44 0.00 -1.18 0.00 0.00 179.01 177.65 2kvr h ALA 106 N -0.57 -1.31 -0.77 2.92 0.00 -1.35 -3.02 119.26 115.15 2kvr h ALA 106 Ca -0.01 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.13 2kvr h ALA 106 Cb 0.44 0.49 -0.23 0.00 0.00 0.00 0.00 17.79 18.49 2kvr h ALA 106 CO 0.02 -1.23 0.66 -0.40 0.00 0.00 0.00 179.25 178.30 2kvr n ASP 107 N -5.28 6.79 -0.20 0.00 5.68 -0.18 -3.30 116.55 120.06 2kvr n ASP 107 Ca -0.15 -3.45 0.04 0.00 -0.50 0.00 0.00 54.79 50.73 2kvr n ASP 107 Cb 0.48 -0.99 0.01 0.00 -1.14 0.00 0.00 41.12 39.47 2kvr n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kvr n GLY 108 N -0.42 -0.29 0.00 6.12 0.00 -1.05 -4.11 105.19 105.44 2kvr n GLY 108 Ca 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2kvr n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kvr n ASN 109 N -0.15 3.88 -5.00 1.61 3.02 -1.21 -4.44 115.26 112.97 2kvr n ASN 109 Ca 0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 2kvr n ASN 109 Cb 0.17 0.19 0.05 0.00 -0.61 0.00 0.00 39.78 39.58 2kvr n ASN 109 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2kvr s LYS 110 N -1.87 2.22 0.59 3.52 0.00 -1.24 -4.85 119.74 118.11 2kvr s LYS 110 Ca 0.00 -1.82 -0.16 0.00 0.00 0.00 0.00 55.97 53.99 2kvr s LYS 110 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 37.83 35.32 2kvr s LYS 110 CO 0.00 -0.88 1.07 0.95 0.00 0.00 0.00 175.35 176.49 2kvr s THR 111 N -2.75 3.69 -2.11 3.79 -4.23 -1.26 -1.24 115.64 111.54 2kvr s THR 111 Ca 0.54 0.84 0.30 0.00 -1.18 0.00 0.00 61.69 62.19 2kvr s THR 111 Cb -0.04 -3.35 0.70 0.00 1.34 0.00 0.00 72.50 71.15 2kvr s THR 111 CO 0.34 -0.43 1.99 1.15 -0.54 0.00 0.00 174.62 177.13 2kvr n MET 112 N -1.90 1.17 0.15 3.99 0.00 -0.75 -3.43 117.12 116.34 2kvr n MET 112 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 57.70 57.43 2kvr n MET 112 Cb 0.53 -1.49 0.34 0.00 0.00 0.00 0.00 33.22 32.59 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 0.93 1.25 0.00 3.17 6.09 -1.35 -2.71 117.51 124.90 2kvr h ILE 113 Ca 0.00 -1.21 -0.10 0.00 -1.37 0.00 0.00 64.86 62.18 2kvr h ILE 113 Cb 0.24 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 2kvr h ILE 113 CO 0.00 0.35 -0.48 -0.33 -3.07 0.00 0.00 178.15 174.62 2kvr h GLU 114 N 0.10 0.00 0.15 2.19 5.08 -1.85 0.12 114.58 120.36 2kvr h GLU 114 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.01 2kvr h GLU 114 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kvr h GLU 114 CO 0.05 0.48 -1.90 -0.07 -1.00 0.00 0.00 179.01 176.57 2kvr h LEU 115 N 0.00 0.49 -0.41 1.33 -0.00 -1.78 -3.37 115.31 111.57 2kvr h LEU 115 Ca -0.00 -0.94 -0.18 0.00 -0.00 0.00 0.00 57.88 56.76 2kvr h LEU 115 Cb 0.90 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 2kvr h LEU 115 CO 0.06 1.82 -0.77 0.77 -0.00 0.00 0.00 178.44 180.32 2kvr h SER 116 N 0.09 0.31 -6.01 -0.43 4.64 -1.36 -3.48 113.55 107.30 2kvr h SER 116 Ca -0.39 -0.22 -0.42 0.00 -0.47 0.00 0.00 61.79 60.29 2kvr h SER 116 Cb 2.06 -0.09 0.07 0.00 -0.31 0.00 0.00 62.40 64.13 2kvr h SER 116 CO 0.13 0.96 -0.73 -0.67 -0.87 0.00 0.00 176.83 175.65 2kvr n ASP 117 N -3.76 -5.01 -0.96 4.97 2.03 0.41 -2.25 116.55 111.98 2kvr n ASP 117 Ca -0.03 -0.65 -0.12 0.00 0.52 0.00 0.00 54.79 54.50 2kvr n ASP 117 Cb 0.73 -4.56 -0.05 0.00 -0.72 0.00 0.00 41.12 36.52 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 -2.97 -4.38 -4.69 1.67 3.02 -1.25 -5.00 115.26 101.66 2kvr n ASN 118 Ca -0.03 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 2kvr n ASN 118 Cb 0.57 -3.00 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 2kvr n ASN 118 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kvr s GLU 119 N -3.17 4.37 -0.09 3.52 2.02 -0.96 -5.03 118.70 119.36 2kvr s GLU 119 Ca 0.00 1.66 -0.03 0.00 0.02 0.00 0.00 54.97 56.61 2kvr s GLU 119 Cb 0.00 -3.53 0.05 0.00 0.10 0.00 0.00 34.13 30.75 2kvr s GLU 119 CO 0.00 -0.40 0.15 0.54 0.02 0.00 0.00 175.26 175.57 2kvr s ASN 120 N 1.39 0.86 -0.01 -0.19 4.22 -1.26 -3.66 114.94 116.29 2kvr s ASN 120 Ca 0.56 0.26 -0.23 0.00 -2.14 0.00 0.00 52.86 51.30 2kvr s ASN 120 Cb -0.25 0.23 -0.05 0.00 1.28 0.00 0.00 41.25 42.47 2kvr s ASN 120 CO 0.23 -0.25 0.71 -2.16 -2.04 0.00 0.00 177.10 173.58 2kvr s PRO 121 N 2.28 4.44 -0.30 3.55 0.04 -1.26 -5.00 135.00 138.75 2kvr s PRO 121 Ca 0.03 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 61.82 2kvr s PRO 121 Cb -0.12 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 2kvr s PRO 121 CO -0.06 0.20 0.51 -0.46 0.04 0.00 0.00 177.00 177.23 2kvr s TRP 122 N 0.31 3.22 0.09 0.56 -0.00 -0.90 -4.72 118.94 117.51 2kvr s TRP 122 Ca 0.37 0.42 -0.27 0.00 -0.00 0.00 0.00 56.10 56.62 2kvr s TRP 122 Cb -0.19 -2.81 -0.06 0.00 -0.00 0.00 0.00 33.47 30.41 2kvr s TRP 122 CO 0.20 -0.40 0.84 0.99 -0.00 0.00 0.00 176.95 178.58 2kvr s THR 123 N 2.35 4.57 -0.04 5.86 2.01 -1.26 -0.47 115.64 128.66 2kvr s THR 123 Ca 0.20 1.81 -0.15 0.00 0.31 0.00 0.00 61.69 63.86 2kvr s THR 123 Cb -0.15 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.18 2kvr s THR 123 CO 0.11 0.38 0.33 -0.51 -0.69 0.00 0.00 174.62 174.24 2kvr s ILE 124 N -0.25 0.04 -0.15 1.82 2.07 -0.35 -2.63 121.20 121.75 2kvr s ILE 124 Ca 0.41 -0.37 -0.09 0.00 -1.41 0.00 0.00 60.65 59.19 2kvr s ILE 124 Cb -0.22 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.72 2kvr s ILE 124 CO 0.26 -0.20 0.17 -0.36 -1.91 0.00 0.00 174.94 172.90 2kvr s PHE 125 N -1.02 3.51 -0.34 3.50 0.08 -0.04 -3.02 117.98 120.65 2kvr s PHE 125 Ca -0.11 0.47 -0.18 0.00 0.12 0.00 0.00 56.93 57.23 2kvr s PHE 125 Cb -0.05 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2kvr s PHE 125 CO 0.04 0.48 0.52 -1.17 -0.10 0.00 0.00 175.22 174.98 2kvr s LEU 126 N -0.25 4.30 -0.12 -0.37 0.20 -1.03 -2.34 118.68 119.07 2kvr s LEU 126 Ca 0.13 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.95 2kvr s LEU 126 Cb -0.12 -2.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 2kvr s LEU 126 CO 0.02 -0.46 0.08 -0.70 -0.29 0.00 0.00 176.35 175.00 2kvr s GLU 127 N 2.40 3.41 0.00 1.98 2.56 -0.29 -4.75 118.70 124.01 2kvr s GLU 127 Ca 0.19 -0.26 0.30 0.00 0.00 0.00 0.00 54.97 55.20 2kvr s GLU 127 Cb -0.15 -3.07 1.48 0.00 2.00 0.00 0.00 34.13 34.38 2kvr s GLU 127 CO 0.13 0.64 1.99 2.41 -0.56 0.00 0.00 175.26 179.87