#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 -0.52 0.54 4.20 -2.05 -3.33 115.11 113.95 2kvr h GLN 2 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2kvr h GLN 2 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2kvr h GLN 2 CO 0.00 0.57 0.34 -0.56 -0.67 0.00 0.00 178.83 178.52 2kvr h GLN 3 N 0.00 0.67 -0.07 1.46 -0.00 -2.05 0.54 115.11 115.66 2kvr h GLN 3 Ca -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 2kvr h GLN 3 Cb 1.33 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 28.66 2kvr h GLN 3 CO 0.07 0.45 0.00 -0.07 -0.00 0.00 0.00 178.83 179.28 2kvr h LEU 4 N 0.69 0.12 -0.24 0.06 -0.00 -2.01 -2.14 115.31 111.80 2kvr h LEU 4 Ca 0.19 -0.31 -0.18 0.00 -0.00 0.00 0.00 57.88 57.59 2kvr h LEU 4 Cb -0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2kvr h LEU 4 CO -0.04 0.40 -0.86 1.62 -0.00 0.00 0.00 178.44 179.56 2kvr h VAL 5 N -0.16 1.59 0.34 1.22 3.04 -1.69 -2.48 116.25 118.12 2kvr h VAL 5 Ca 0.02 -2.97 -0.02 0.00 -1.01 0.00 0.00 66.70 62.72 2kvr h VAL 5 Cb 0.34 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 2kvr h VAL 5 CO 0.00 0.84 -0.16 -0.08 -1.01 0.00 0.00 177.57 177.16 2kvr h GLU 6 N 0.00 -0.44 -0.61 4.17 4.57 -0.90 -1.45 114.58 119.92 2kvr h GLU 6 Ca -0.01 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2kvr h GLU 6 Cb 1.54 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 2kvr h GLU 6 CO 0.11 -0.26 0.06 0.07 -1.18 0.00 0.00 179.01 177.81 2kvr h ARG 7 N -0.49 1.02 -0.72 1.92 -0.00 -1.46 -3.04 114.38 111.61 2kvr h ARG 7 Ca -0.05 -0.28 -0.02 0.00 -0.00 0.00 0.00 59.98 59.63 2kvr h ARG 7 Cb 0.37 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.97 30.20 2kvr h ARG 7 CO 0.08 0.97 0.38 1.25 -0.00 0.00 0.00 179.97 182.64 2kvr h LEU 8 N 0.95 0.91 -0.41 0.08 6.46 -1.20 -1.45 115.31 120.66 2kvr h LEU 8 Ca 0.18 -0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.72 2kvr h LEU 8 Cb 0.47 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2kvr h LEU 8 CO 0.02 0.76 -0.19 1.56 -0.62 0.00 0.00 178.44 179.98 2kvr h GLN 9 N 1.00 0.86 0.00 1.25 4.20 -1.24 0.00 115.11 121.17 2kvr h GLN 9 Ca 0.25 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 2kvr h GLN 9 Cb 0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2kvr h GLN 9 CO -0.04 1.01 -0.16 0.93 -0.67 0.00 0.00 178.83 179.90 2kvr h GLU 10 N 0.68 0.00 0.07 1.46 4.39 -1.35 -1.71 114.58 118.12 2kvr h GLU 10 Ca 0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2kvr h GLU 10 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2kvr h GLU 10 CO 0.06 0.16 -0.03 0.93 -1.16 0.00 0.00 179.01 178.97 2kvr h GLU 11 N 0.00 -0.09 0.00 2.33 4.39 -1.03 -3.40 114.58 116.78 2kvr h GLU 11 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kvr h GLU 11 Cb 0.44 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kvr h GLU 11 CO 0.02 0.12 0.00 0.36 -1.16 0.00 0.00 179.01 178.35 2kvr n LYS 12 N -4.82 0.18 0.06 2.33 2.85 -0.03 -3.97 118.16 114.75 2kvr n LYS 12 Ca -0.03 0.27 0.03 0.00 -1.05 0.00 0.00 58.31 57.53 2kvr n LYS 12 Cb 0.12 -1.76 0.15 0.00 -0.65 0.00 0.00 35.03 32.89 2kvr n LYS 12 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2kvr n ARG 13 N -2.09 0.04 0.00 -1.58 1.85 -0.65 -1.59 116.66 112.63 2kvr n ARG 13 Ca 0.04 0.43 0.14 0.00 -1.00 0.00 0.00 57.85 57.46 2kvr n ARG 13 Cb 0.32 -1.81 0.61 0.00 -1.05 0.00 0.00 32.46 30.53 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 -1.61 0.00 0.21 8.89 -0.00 -1.26 -4.42 119.36 121.18 2kvr n ILE 14 Ca -0.00 -0.11 0.13 0.00 -0.00 0.00 0.00 62.75 62.76 2kvr n ILE 14 Cb 0.20 0.07 0.69 0.00 -0.00 0.00 0.00 39.64 40.60 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 1.05 0.00 0.00 6.28 4.39 -1.64 -1.47 114.58 123.19 2kvr h GLU 15 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kvr h GLU 15 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2kvr h GLU 15 CO 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 177.76 2kvr h ALA 16 N 1.78 1.23 0.00 3.43 0.00 -1.86 -1.44 119.26 122.40 2kvr h ALA 16 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kvr h ALA 16 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kvr h ALA 16 CO 0.00 0.12 -1.29 0.00 0.00 0.00 0.00 179.25 178.08 2kvr n GLN 17 N -3.54 1.60 0.07 0.00 10.64 -0.64 -4.82 117.38 120.70 2kvr n GLN 17 Ca -0.02 -0.03 -0.23 0.00 -1.83 0.00 0.00 57.00 54.90 2kvr n GLN 17 Cb 0.22 -1.13 -0.15 0.00 -0.86 0.00 0.00 30.24 28.33 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2kvr h LYS 18 N 0.00 0.39 -0.28 2.61 1.63 -1.28 -3.30 116.57 116.35 2kvr h LYS 18 Ca -0.06 -0.67 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 2kvr h LYS 18 Cb 0.74 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2kvr h LYS 18 CO 0.00 1.32 0.00 -2.13 -3.45 0.00 0.00 179.45 175.19 2kvr n ARG 19 N -3.59 0.92 -0.45 1.90 0.63 -0.55 -3.13 116.66 112.39 2kvr n ARG 19 Ca -0.25 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.72 2kvr n ARG 19 Cb 1.08 -1.14 0.22 0.00 0.45 0.00 0.00 32.46 33.06 2kvr n ARG 19 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2kvr n LYS 20 N -0.34 2.95 -2.58 -0.14 4.76 -1.24 -4.93 118.16 116.64 2kvr n LYS 20 Ca 0.00 -1.68 -0.37 0.00 -2.87 0.00 0.00 58.31 53.39 2kvr n LYS 20 Cb 0.07 -1.83 -0.04 0.00 -1.84 0.00 0.00 35.03 31.39 2kvr n LYS 20 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2kvr s GLU 21 N -1.88 4.25 -0.02 1.97 2.56 -1.18 -5.02 118.70 119.37 2kvr s GLU 21 Ca 0.29 1.50 -0.04 0.00 0.00 0.00 0.00 54.97 56.72 2kvr s GLU 21 Cb 0.21 -2.60 -0.02 0.00 2.00 0.00 0.00 34.13 33.72 2kvr s GLU 21 CO 0.10 -0.06 0.35 -0.09 -0.56 0.00 0.00 175.26 175.00 2kvr h ARG 22 N 2.65 -0.13 0.00 4.30 2.43 -1.95 -3.49 114.38 118.19 2kvr h ARG 22 Ca -0.48 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2kvr h ARG 22 Cb 1.21 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2kvr h ARG 22 CO 0.63 -0.08 0.00 0.00 -1.51 0.00 0.00 179.97 179.00 2kvr n GLN 23 N -2.97 0.00 -3.69 0.20 10.64 -1.26 -5.11 117.38 115.18 2kvr n GLN 23 Ca -0.02 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.96 2kvr n GLN 23 Cb 0.05 0.00 -0.18 0.00 -0.86 0.00 0.00 30.24 29.25 2kvr n GLN 23 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2kvr s GLU 24 N -1.52 -0.01 0.00 2.61 2.02 -1.26 -4.98 118.70 115.55 2kvr s GLU 24 Ca 0.00 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.33 2kvr s GLU 24 Cb 0.00 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.70 2kvr s GLU 24 CO 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 175.26 174.97 2kvr n ALA 25 N 5.19 0.00 0.90 5.21 0.00 -1.26 -5.03 120.51 125.52 2kvr n ALA 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kvr n ALA 25 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kvr n ALA 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kvr n HIS 26 N 0.00 0.00 -0.95 0.00 1.44 -1.26 -3.93 115.22 110.53 2kvr n HIS 26 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 2kvr n HIS 26 Cb 0.00 -0.04 0.26 0.00 0.12 0.00 0.00 29.99 30.34 2kvr n HIS 26 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kvr n LEU 27 N -0.10 6.04 -0.94 2.39 7.99 -1.26 -4.74 117.00 126.38 2kvr n LEU 27 Ca 0.00 -3.16 0.00 0.00 -0.01 0.00 0.00 56.01 52.84 2kvr n LEU 27 Cb 0.09 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 42.65 2kvr n LEU 27 CO 0.00 0.83 0.20 -1.22 -1.51 0.00 0.00 177.39 175.69 2kvr n TYR 28 N -0.31 0.00 -1.16 -1.77 4.01 -1.25 -1.39 117.16 115.29 2kvr n TYR 28 Ca 0.43 -0.19 -0.44 0.00 -0.16 0.00 0.00 57.90 57.54 2kvr n TYR 28 Cb 1.40 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 40.23 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 0.72 0.00 -3.10 -0.72 0.00 0.23 -2.80 117.12 111.45 2kvr n MET 29 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 2kvr n MET 29 Cb 0.20 -1.04 -0.06 0.00 0.00 0.00 0.00 33.22 32.33 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 -0.32 4.42 -0.13 3.17 1.11 -1.26 -1.41 119.66 125.23 2kvr s GLN 30 Ca 0.64 0.99 0.00 0.00 0.01 0.00 0.00 55.36 57.00 2kvr s GLN 30 Cb -0.90 -3.25 0.02 0.00 -1.01 0.00 0.00 33.01 27.87 2kvr s GLN 30 CO 0.45 0.60 -0.12 0.54 0.01 0.00 0.00 175.29 176.77 2kvr s VAL 31 N -1.13 1.40 -0.49 1.09 0.11 -0.62 -1.36 120.40 119.41 2kvr s VAL 31 Ca 0.33 -0.53 -0.25 0.00 -2.93 0.00 0.00 61.98 58.60 2kvr s VAL 31 Cb -0.22 -1.34 0.03 0.00 -1.53 0.00 0.00 36.38 33.33 2kvr s VAL 31 CO 0.23 0.43 0.91 -1.10 -3.33 0.00 0.00 175.10 172.25 2kvr s GLN 32 N 1.52 3.45 -0.03 1.54 -0.21 -0.13 -2.55 119.66 123.24 2kvr s GLN 32 Ca 0.04 -0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.44 2kvr s GLN 32 Cb -0.13 -3.97 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 2kvr s GLN 32 CO -0.09 -1.30 -0.11 0.42 -2.12 0.00 0.00 175.29 172.09 2kvr s ILE 33 N 3.77 3.36 -0.04 1.08 -1.09 -0.70 -1.62 121.20 125.96 2kvr s ILE 33 Ca 0.34 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 2kvr s ILE 33 Cb -0.11 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 2kvr s ILE 33 CO 0.24 0.52 -0.10 0.68 -1.23 0.00 0.00 174.94 175.04 2kvr s VAL 34 N -0.84 0.90 0.35 2.92 -7.23 -1.26 -1.08 120.40 114.16 2kvr s VAL 34 Ca 0.13 -0.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 2kvr s VAL 34 Cb -0.11 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2kvr s VAL 34 CO 0.03 0.29 0.14 0.00 -0.31 0.00 0.00 175.10 175.25 2kvr s ALA 35 N 0.38 2.38 -0.30 1.32 0.00 -1.26 -4.11 121.76 120.17 2kvr s ALA 35 Ca -0.07 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.19 2kvr s ALA 35 Cb -0.11 0.95 0.15 0.00 0.00 0.00 0.00 23.12 24.10 2kvr s ALA 35 CO 0.01 -0.42 0.73 -2.00 0.00 0.00 0.00 175.76 174.08 2kvr s GLU 36 N -3.77 0.50 0.18 0.00 2.12 -1.23 -4.59 118.70 111.91 2kvr s GLU 36 Ca 0.31 1.20 -0.08 0.00 0.36 0.00 0.00 54.97 56.76 2kvr s GLU 36 Cb 0.04 0.72 0.07 0.00 0.26 0.00 0.00 34.13 35.22 2kvr s GLU 36 CO 0.16 -0.24 1.59 0.22 -0.54 0.00 0.00 175.26 176.46 2kvr h ASP 37 N 7.89 0.98 -0.95 -1.70 3.58 -1.98 -3.38 116.42 120.86 2kvr h ASP 37 Ca -0.18 -0.34 0.20 0.00 0.42 0.00 0.00 57.03 57.12 2kvr h ASP 37 Cb 1.11 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.81 2kvr h ASP 37 CO 0.11 1.12 0.61 -0.61 -2.88 0.00 0.00 179.24 177.60 2kvr h GLN 38 N 0.85 0.56 -0.55 0.28 5.75 -1.89 0.36 115.11 120.47 2kvr h GLN 38 Ca 0.12 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.70 2kvr h GLN 38 Cb 0.73 -0.13 -0.11 0.00 1.07 0.00 0.00 27.48 29.04 2kvr h GLN 38 CO 0.06 0.37 -0.15 0.74 -2.65 0.00 0.00 178.83 177.19 2kvr h PHE 39 N 0.57 -0.34 -0.01 3.99 0.04 -2.01 -2.22 116.94 116.96 2kvr h PHE 39 Ca 0.52 0.05 -0.20 0.00 2.80 0.00 0.00 57.97 61.13 2kvr h PHE 39 Cb 1.05 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2kvr h PHE 39 CO -0.00 -0.25 -0.87 0.00 -0.60 0.00 0.00 178.31 176.58 2kvr n GLY 41 N 0.84 -1.14 1.13 0.00 0.00 0.17 -5.02 105.19 101.16 2kvr n GLY 41 Ca -0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.43 -0.00 -2.56 1.61 8.25 -1.26 -4.91 115.22 114.92 2kvr n HIS 42 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2kvr n HIS 42 Cb 0.48 0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2kvr n HIS 42 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2kvr s GLN 43 N -2.00 3.57 -1.52 -0.41 -1.52 -1.26 -4.91 119.66 111.62 2kvr s GLN 43 Ca 0.00 -1.09 -0.09 0.00 -1.95 0.00 0.00 55.36 52.24 2kvr s GLN 43 Cb 0.00 -5.31 -0.01 0.00 -0.22 0.00 0.00 33.01 27.46 2kvr s GLN 43 CO 0.00 -2.21 2.74 0.41 -0.25 0.00 0.00 175.29 175.98 2kvr n GLY 44 N 6.83 4.57 4.01 3.09 0.00 -1.26 -4.88 105.19 117.55 2kvr n GLY 44 Ca 0.32 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 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 1.64 5.27 0.00 1.61 -0.87 -1.26 -5.06 114.94 116.26 2kvr s ASN 45 Ca 0.64 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 2kvr s ASN 45 Cb 0.18 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 41.10 2kvr s ASN 45 CO -0.07 -1.14 0.51 -0.67 -2.57 0.00 0.00 177.10 173.16 2kvr n ASP 46 N -2.17 0.00 -3.40 -1.22 2.03 -1.26 -5.04 116.55 105.49 2kvr n ASP 46 Ca 0.11 -1.13 -0.08 0.00 0.52 0.00 0.00 54.79 54.21 2kvr n ASP 46 Cb 0.60 -0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 2kvr n ASP 46 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2kvr s MET 47 N 0.00 0.36 -1.11 -0.67 1.75 -1.26 -4.94 119.30 113.44 2kvr s MET 47 Ca 0.00 0.70 -0.18 0.00 -1.25 0.00 0.00 55.69 54.96 2kvr s MET 47 Cb 0.00 -0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.46 2kvr s MET 47 CO 0.00 -0.55 0.81 0.98 -0.65 0.00 0.00 175.02 175.61 2kvr n TYR 48 N 5.38 -2.02 -2.47 4.11 9.36 -1.26 -4.86 117.16 125.40 2kvr n TYR 48 Ca -0.04 0.53 -0.40 0.00 3.32 0.00 0.00 57.90 61.31 2kvr n TYR 48 Cb 0.50 -3.54 -0.03 0.00 -0.63 0.00 0.00 39.34 35.63 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 -3.43 6.16 0.00 2.98 1.01 -1.26 -4.84 116.67 117.29 2kvr s ASP 49 Ca 0.46 -0.88 0.15 0.00 0.71 0.00 0.00 52.55 52.99 2kvr s ASP 49 Cb -0.15 -2.56 0.75 0.00 1.01 0.00 0.00 42.92 41.97 2kvr s ASP 49 CO 0.84 -1.81 1.39 -0.62 0.21 0.00 0.00 175.17 175.18 2kvr n GLU 50 N 9.09 0.23 0.05 8.23 1.02 -1.26 -0.27 120.64 137.72 2kvr n GLU 50 Ca 0.22 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 2kvr n GLU 50 Cb 0.50 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 2kvr n GLU 50 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kvr h GLU 51 N 0.00 0.09 -0.67 3.49 4.39 -1.94 -3.39 114.58 116.55 2kvr h GLU 51 Ca 0.00 -0.15 -0.36 0.00 0.34 0.00 0.00 59.36 59.19 2kvr h GLU 51 Cb 0.12 0.06 -0.41 0.00 -0.10 0.00 0.00 28.75 28.42 2kvr h GLU 51 CO 0.00 0.94 -1.03 1.17 -1.16 0.00 0.00 179.01 178.93 2kvr n LYS 52 N -3.33 2.21 -1.58 2.33 3.00 -0.18 -3.53 118.16 117.08 2kvr n LYS 52 Ca -0.08 -3.70 -0.30 0.00 -0.00 0.00 0.00 58.31 54.23 2kvr n LYS 52 Cb 1.00 -1.76 0.23 0.00 0.00 0.00 0.00 35.03 34.50 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 -4.01 1.80 0.84 3.15 -7.23 0.62 -4.83 120.40 110.74 2kvr s VAL 53 Ca 0.34 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.37 2kvr s VAL 53 Cb 0.37 -2.79 0.21 0.00 0.56 0.00 0.00 36.38 34.72 2kvr s VAL 53 CO -0.02 0.00 0.75 0.29 -0.31 0.00 0.00 175.10 175.81 2kvr n LYS 54 N -4.29 -2.47 -1.46 4.82 4.01 -1.26 -4.88 118.16 112.63 2kvr n LYS 54 Ca 0.16 -1.20 -0.47 0.00 -0.51 0.00 0.00 58.31 56.30 2kvr n LYS 54 Cb 0.59 -1.12 -0.08 0.00 -0.51 0.00 0.00 35.03 33.91 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 -4.12 1.36 -2.39 2.13 4.01 -1.26 -4.90 117.16 112.00 2kvr n TYR 55 Ca 0.10 0.30 -0.43 0.00 -0.16 0.00 0.00 57.90 57.72 2kvr n TYR 55 Cb 0.40 -2.51 -0.02 0.00 -0.31 0.00 0.00 39.34 36.90 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 8.36 4.15 -0.34 -0.72 -1.32 -0.24 -4.80 115.64 120.74 2kvr s THR 56 Ca 1.13 1.45 -0.12 0.00 -1.21 0.00 0.00 61.69 62.94 2kvr s THR 56 Cb -0.85 -3.93 -0.01 0.00 -1.51 0.00 0.00 72.50 66.20 2kvr s THR 56 CO 0.46 -0.06 0.22 -0.69 -2.21 0.00 0.00 174.62 172.34 2kvr s VAL 57 N 2.88 5.01 -0.22 5.08 1.01 -1.26 -1.72 120.40 131.18 2kvr s VAL 57 Ca 0.57 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2kvr s VAL 57 Cb -0.25 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2kvr s VAL 57 CO 0.20 -0.03 0.05 -0.36 0.00 0.00 0.00 175.10 174.96 2kvr s PHE 58 N 1.67 3.10 -0.48 5.22 0.08 -1.06 -4.91 117.98 121.60 2kvr s PHE 58 Ca 0.05 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.51 2kvr s PHE 58 Cb -0.18 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2kvr s PHE 58 CO 0.09 -0.23 1.00 -1.59 -0.10 0.00 0.00 175.22 174.39 2kvr s LYS 59 N 1.22 3.55 0.06 0.44 0.00 -1.26 -1.58 119.74 122.17 2kvr s LYS 59 Ca 0.04 0.22 0.05 0.00 0.00 0.00 0.00 55.97 56.28 2kvr s LYS 59 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 37.83 33.72 2kvr s LYS 59 CO 0.03 -1.32 -0.14 0.14 0.00 0.00 0.00 175.35 174.05 2kvr s VAL 60 N 4.03 1.12 -0.19 1.79 -7.23 -0.50 -4.90 120.40 114.52 2kvr s VAL 60 Ca 0.39 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2kvr s VAL 60 Cb -0.09 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 2kvr s VAL 60 CO 0.27 -0.16 1.34 -0.76 -0.31 0.00 0.00 175.10 175.49 2kvr s LEU 61 N -1.56 4.10 0.63 1.32 2.01 -1.25 -0.60 118.68 123.33 2kvr s LEU 61 Ca -0.01 1.63 0.39 0.00 0.01 0.00 0.00 54.13 56.15 2kvr s LEU 61 Cb -0.09 -3.54 2.13 0.00 0.01 0.00 0.00 46.19 44.70 2kvr s LEU 61 CO 0.02 -0.89 2.30 0.07 1.01 0.00 0.00 176.35 178.85 2kvr h LYS 62 N 8.81 0.00 0.00 1.70 2.10 -1.56 -1.41 116.57 126.21 2kvr h LYS 62 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2kvr h LYS 62 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2kvr h LYS 62 CO 0.99 0.01 -0.20 0.09 -2.00 0.00 0.00 179.45 178.34 2kvr n ASN 63 N -3.34 0.29 -4.93 7.07 4.13 -1.26 -1.99 115.26 115.23 2kvr n ASN 63 Ca -0.03 0.25 -0.25 0.00 1.68 0.00 0.00 54.58 56.24 2kvr n ASN 63 Cb 0.10 -0.25 -0.01 0.00 -1.54 0.00 0.00 39.78 38.07 2kvr n ASN 63 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2kvr s SER 64 N -3.27 6.32 0.53 6.41 0.15 -0.53 -4.89 113.70 118.42 2kvr s SER 64 Ca 0.12 0.52 -0.20 0.00 0.70 0.00 0.00 55.95 57.09 2kvr s SER 64 Cb 0.17 -2.06 -0.06 0.00 -1.71 0.00 0.00 66.02 62.36 2kvr s SER 64 CO 0.60 -0.29 1.18 -0.94 1.20 0.00 0.00 173.24 174.98 2kvr s SER 65 N -3.89 5.68 0.47 5.45 1.04 -1.26 -2.39 113.70 118.81 2kvr s SER 65 Ca 0.41 2.31 0.17 0.00 0.48 0.00 0.00 55.95 59.32 2kvr s SER 65 Cb -0.10 -2.60 1.12 0.00 0.10 0.00 0.00 66.02 64.55 2kvr s SER 65 CO 0.36 -1.25 2.03 0.25 0.98 0.00 0.00 173.24 175.60 2kvr h LEU 66 N 1.38 0.00 -1.77 2.42 7.12 -1.31 -1.81 115.31 121.34 2kvr h LEU 66 Ca -0.50 0.00 0.14 0.00 0.13 0.00 0.00 57.88 57.65 2kvr h LEU 66 Cb 1.27 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.36 2kvr h LEU 66 CO 0.57 0.15 0.43 0.00 -0.13 0.00 0.00 178.44 179.47 2kvr h ALA 67 N 1.85 2.27 -0.15 1.25 0.00 -1.76 -0.54 119.26 122.18 2kvr h ALA 67 Ca -0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2kvr h ALA 67 Cb 0.28 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kvr h ALA 67 CO 0.02 -0.44 -0.76 0.93 0.00 0.00 0.00 179.25 179.00 2kvr h GLU 68 N 0.23 0.74 -0.65 0.00 4.39 -1.70 -1.69 114.58 115.90 2kvr h GLU 68 Ca 0.30 -0.59 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2kvr h GLU 68 Cb 0.87 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 2kvr h GLU 68 CO -0.06 1.21 0.32 0.35 -1.16 0.00 0.00 179.01 179.67 2kvr h PHE 69 N 0.51 0.93 0.26 4.33 3.57 -1.37 -2.47 116.94 122.70 2kvr h PHE 69 Ca -0.05 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2kvr h PHE 69 Cb 1.38 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2kvr h PHE 69 CO 0.08 0.69 -0.12 0.28 -2.23 0.00 0.00 178.31 177.01 2kvr h VAL 70 N 0.90 0.79 -0.22 1.41 2.07 -1.03 -1.89 116.25 118.27 2kvr h VAL 70 Ca 0.22 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2kvr h VAL 70 Cb 0.10 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2kvr h VAL 70 CO -0.03 0.08 -0.07 0.06 0.02 0.00 0.00 177.57 177.63 2kvr h GLN 71 N -0.54 0.35 0.23 1.57 3.07 -1.36 0.13 115.11 118.56 2kvr h GLN 71 Ca -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2kvr h GLN 71 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2kvr h GLN 71 CO 0.06 0.43 -0.11 0.77 0.09 0.00 0.00 178.83 180.07 2kvr h SER 72 N 0.33 -0.26 0.61 0.06 0.02 -1.38 -1.80 113.55 111.13 2kvr h SER 72 Ca 0.07 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2kvr h SER 72 Cb 0.34 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kvr h SER 72 CO 0.02 -0.13 -0.12 0.25 -1.14 0.00 0.00 176.83 175.71 2kvr h LEU 73 N -0.37 0.00 0.09 5.07 6.46 -0.67 -0.52 115.31 125.36 2kvr h LEU 73 Ca -0.03 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.47 2kvr h LEU 73 Cb 0.28 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2kvr h LEU 73 CO 0.05 0.12 -1.17 -1.28 -0.62 0.00 0.00 178.44 175.54 2kvr h SER 74 N 0.00 0.31 1.18 1.25 0.87 -0.60 -1.86 113.55 114.70 2kvr h SER 74 Ca -0.00 -0.33 -0.11 0.00 -1.23 0.00 0.00 61.79 60.12 2kvr h SER 74 Cb 0.45 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2kvr h SER 74 CO 0.02 1.26 -0.87 1.56 -0.53 0.00 0.00 176.83 178.26 2kvr h GLN 75 N 0.06 0.00 0.26 2.24 1.08 -0.92 -2.18 115.11 115.66 2kvr h GLN 75 Ca -0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2kvr h GLN 75 Cb 1.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2kvr h GLN 75 CO 0.18 0.35 -0.13 1.15 -0.95 0.00 0.00 178.83 179.43 2kvr h THR 76 N 0.00 0.51 0.00 -0.54 2.02 -1.11 -3.40 112.91 110.40 2kvr h THR 76 Ca -0.06 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 2kvr h THR 76 Cb 1.40 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2kvr h THR 76 CO 0.05 0.13 -1.91 0.23 0.37 0.00 0.00 175.52 174.39 2kvr n MET 77 N -5.02 0.65 -0.29 6.66 2.81 -0.70 -4.99 117.12 116.23 2kvr n MET 77 Ca -0.07 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 2kvr n MET 77 Cb 0.24 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.50 0.65 3.70 3.03 0.00 -0.82 -5.06 105.19 108.19 2kvr n GLY 78 Ca -0.07 0.00 -0.42 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 -2.58 2.77 0.07 1.61 0.40 -1.24 -4.94 117.98 114.06 2kvr s PHE 79 Ca 0.00 0.52 -0.34 0.00 -0.60 0.00 0.00 56.93 56.51 2kvr s PHE 79 Cb 0.00 -3.91 -0.13 0.00 0.51 0.00 0.00 43.02 39.49 2kvr s PHE 79 CO 0.00 -3.51 1.73 -0.35 0.70 0.00 0.00 175.22 173.79 2kvr n PRO 80 N 4.79 2.26 0.25 0.24 -0.04 -1.26 -4.33 135.00 136.91 2kvr n PRO 80 Ca 0.15 0.82 0.11 0.00 -0.04 0.00 0.00 63.50 64.54 2kvr n PRO 80 Cb 0.40 -2.63 0.68 0.00 -0.04 0.00 0.00 33.50 31.91 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 7.49 0.00 -0.04 0.54 3.07 -1.91 -0.62 115.11 123.64 2kvr h GLN 81 Ca -0.46 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.19 2kvr h GLN 81 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 2kvr h GLN 81 CO 0.92 0.13 -0.39 0.22 0.09 0.00 0.00 178.83 179.81 2kvr h ASP 82 N 0.00 0.08 -0.37 0.06 3.58 -1.98 -3.25 116.42 114.55 2kvr h ASP 82 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kvr h ASP 82 Cb 0.32 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2kvr h ASP 82 CO 0.02 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 176.84 2kvr n GLN 83 N -4.07 2.49 -2.24 0.28 6.02 -0.31 -4.87 117.38 114.70 2kvr n GLN 83 Ca -0.02 -2.05 -0.33 0.00 -0.01 0.00 0.00 57.00 54.59 2kvr n GLN 83 Cb 0.43 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.32 2kvr n GLN 83 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kvr s ILE 84 N -1.04 3.60 0.14 5.09 1.01 -0.78 -3.86 121.20 125.37 2kvr s ILE 84 Ca 0.27 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 2kvr s ILE 84 Cb 0.15 -4.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 2kvr s ILE 84 CO 0.20 -1.31 0.57 -0.13 0.00 0.00 0.00 174.94 174.27 2kvr s ARG 85 N 6.30 4.06 0.06 2.79 3.00 -0.31 -4.95 118.95 129.89 2kvr s ARG 85 Ca 0.60 0.59 0.10 0.00 0.00 0.00 0.00 55.73 57.01 2kvr s ARG 85 Cb -0.05 -3.00 -0.03 0.00 0.00 0.00 0.00 34.95 31.87 2kvr s ARG 85 CO -0.01 0.51 -0.26 -0.51 0.00 0.00 0.00 175.30 175.03 2kvr s LEU 86 N -1.76 2.19 -0.17 2.53 1.43 -1.26 -0.89 118.68 120.75 2kvr s LEU 86 Ca 0.36 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2kvr s LEU 86 Cb -0.16 -1.28 0.06 0.00 0.03 0.00 0.00 46.19 44.84 2kvr s LEU 86 CO 0.19 0.25 0.05 0.26 0.23 0.00 0.00 176.35 177.33 2kvr s TRP 87 N -0.84 0.72 0.77 0.29 0.52 -0.92 -1.54 118.94 117.95 2kvr s TRP 87 Ca 0.12 -0.59 -0.11 0.00 0.02 0.00 0.00 56.10 55.54 2kvr s TRP 87 Cb -0.10 -0.89 0.06 0.00 -1.15 0.00 0.00 33.47 31.39 2kvr s TRP 87 CO 0.03 -0.54 1.10 -1.25 0.02 0.00 0.00 176.95 176.31 2kvr s PRO 88 N 1.96 2.20 0.33 4.98 0.04 -1.26 -1.16 135.00 142.08 2kvr s PRO 88 Ca 0.01 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 2kvr s PRO 88 Cb -0.16 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 2kvr s PRO 88 CO -0.08 -1.70 1.37 0.00 0.04 0.00 0.00 177.00 176.64 2kvr n MET 89 N -3.46 2.27 -3.62 4.56 0.00 -1.06 -4.83 117.12 110.97 2kvr n MET 89 Ca 0.10 0.80 -0.03 0.00 0.00 0.00 0.00 57.70 58.57 2kvr n MET 89 Cb 0.53 -2.44 -0.05 0.00 0.00 0.00 0.00 33.22 31.26 2kvr n MET 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kvr s GLN 90 N -1.58 0.51 0.00 3.17 2.00 -1.26 -5.02 119.66 117.48 2kvr s GLN 90 Ca 0.58 1.31 0.27 0.00 -2.00 0.00 0.00 55.36 55.52 2kvr s GLN 90 Cb -0.56 0.70 1.39 0.00 0.80 0.00 0.00 33.01 35.35 2kvr s GLN 90 CO 0.59 -0.24 1.92 0.00 -0.50 0.00 0.00 175.29 177.07 2kvr n ALA 91 N 5.43 2.36 -2.77 1.58 0.00 -1.26 -4.91 120.51 120.95 2kvr n ALA 91 Ca -0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 2kvr n ALA 91 Cb 0.49 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.53 2kvr n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kvr n ARG 92 N -1.24 -3.56 -1.11 0.00 1.74 -1.26 -4.90 116.66 106.33 2kvr n ARG 92 Ca 0.14 0.81 -0.17 0.00 -0.77 0.00 0.00 57.85 57.87 2kvr n ARG 92 Cb 0.20 -5.40 -0.08 0.00 -1.02 0.00 0.00 32.46 26.15 2kvr n ARG 92 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kvr n SER 93 N -1.82 5.85 -4.05 0.55 3.41 -1.26 -4.83 113.62 111.47 2kvr n SER 93 Ca -0.13 -2.81 -0.21 0.00 -0.26 0.00 0.00 58.87 55.47 2kvr n SER 93 Cb 0.62 -1.28 -0.15 0.00 -0.26 0.00 0.00 64.21 63.14 2kvr n SER 93 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2kvr s ASN 94 N 1.18 1.34 0.00 4.04 0.02 -1.26 -5.10 114.94 115.16 2kvr s ASN 94 Ca 0.52 -0.21 0.00 0.00 -1.02 0.00 0.00 52.86 52.15 2kvr s ASN 94 Cb 0.30 -0.23 0.00 0.00 0.02 0.00 0.00 41.25 41.33 2kvr s ASN 94 CO -0.08 0.12 0.32 0.61 0.02 0.00 0.00 177.10 178.08 2kvr n GLY 95 N 2.99 -0.78 3.61 0.66 0.00 -1.26 -4.63 105.19 105.77 2kvr n GLY 95 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.02 4.59 -0.04 2.61 2.01 -1.26 -5.04 115.64 117.49 2kvr s THR 96 Ca 0.00 1.23 -0.11 0.00 0.31 0.00 0.00 61.69 63.12 2kvr s THR 96 Cb 0.00 -4.33 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2kvr s THR 96 CO 0.00 -0.52 0.25 -0.75 -0.69 0.00 0.00 174.62 172.90 2kvr s LYS 97 N 3.47 0.48 -0.22 4.92 2.20 -1.26 -5.13 119.74 124.20 2kvr s LYS 97 Ca 0.38 -0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.94 2kvr s LYS 97 Cb -0.12 0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.48 2kvr s LYS 97 CO 0.18 -0.11 0.02 0.50 -0.36 0.00 0.00 175.35 175.58 2kvr s ARG 98 N -0.79 0.95 0.11 4.03 3.52 -1.26 -5.13 118.95 120.38 2kvr s ARG 98 Ca -0.09 -0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 54.50 2kvr s ARG 98 Cb -0.05 -2.24 -0.10 0.00 -1.56 0.00 0.00 34.95 31.00 2kvr s ARG 98 CO 0.02 -0.68 1.74 -1.25 -0.81 0.00 0.00 175.30 174.32 2kvr s PRO 99 N 1.68 4.16 0.10 5.12 0.04 -1.26 -5.01 135.00 139.83 2kvr s PRO 99 Ca -0.01 2.49 0.09 0.00 0.04 0.00 0.00 61.00 63.61 2kvr s PRO 99 Cb -0.18 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2kvr s PRO 99 CO -0.10 -0.78 -0.22 0.00 0.04 0.00 0.00 177.00 175.93 2kvr s ALA 100 N 2.52 1.92 0.90 8.56 0.00 -1.26 -5.15 121.76 129.25 2kvr s ALA 100 Ca 0.77 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 2kvr s ALA 100 Cb -0.44 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.53 2kvr s ALA 100 CO 0.34 0.40 1.14 0.00 0.00 0.00 0.00 175.76 177.64 2kvr s MET 101 N -1.85 1.25 0.44 0.00 0.23 -1.26 -4.79 119.30 113.32 2kvr s MET 101 Ca 0.08 0.30 -0.23 0.00 -1.03 0.00 0.00 55.69 54.82 2kvr s MET 101 Cb -0.10 -1.85 -0.08 0.00 -1.53 0.00 0.00 34.83 31.27 2kvr s MET 101 CO 0.04 -2.12 1.07 -0.51 -2.03 0.00 0.00 175.02 171.47 2kvr s LEU 102 N -5.99 4.02 -0.95 0.18 2.01 -0.59 -4.94 118.68 112.42 2kvr s LEU 102 Ca 0.63 2.06 -0.24 0.00 0.01 0.00 0.00 54.13 56.59 2kvr s LEU 102 Cb -0.15 -4.32 -0.05 0.00 0.01 0.00 0.00 46.19 41.68 2kvr s LEU 102 CO 0.53 -0.68 1.95 -1.81 1.01 0.00 0.00 176.35 177.35 2kvr s ASP 103 N -1.65 5.12 0.61 2.29 1.11 -1.26 -4.71 116.67 118.17 2kvr s ASP 103 Ca 0.62 -0.84 0.33 0.00 0.18 0.00 0.00 52.55 52.84 2kvr s ASP 103 Cb -0.22 -2.56 1.81 0.00 1.07 0.00 0.00 42.92 43.02 2kvr s ASP 103 CO 0.27 -2.81 2.01 -1.13 1.18 0.00 0.00 175.17 174.69 2kvr h ASN 104 N 11.03 0.00 0.51 0.27 -0.00 -1.92 0.31 115.58 125.78 2kvr h ASN 104 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.39 2kvr h ASN 104 Cb 0.99 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.32 2kvr h ASN 104 CO 1.21 0.00 -0.25 -0.08 -0.00 0.00 0.00 177.43 178.32 2kvr h GLU 105 N 0.00 -0.66 0.43 6.67 4.57 -1.98 -1.87 114.58 121.74 2kvr h GLU 105 Ca 0.00 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2kvr h GLU 105 Cb 0.37 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2kvr h GLU 105 CO 0.00 -0.36 -0.21 0.00 -1.18 0.00 0.00 179.01 177.27 2kvr h ALA 106 N -0.65 -0.58 -0.41 2.92 0.00 -0.81 -3.03 119.26 116.71 2kvr h ALA 106 Ca -0.07 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 2kvr h ALA 106 Cb 0.61 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 2kvr h ALA 106 CO 0.12 -0.76 0.33 -0.40 0.00 0.00 0.00 179.25 178.54 2kvr n ASP 107 N -5.29 5.39 -0.12 0.00 5.68 -0.20 -1.15 116.55 120.86 2kvr n ASP 107 Ca -0.11 -2.88 0.02 0.00 -0.50 0.00 0.00 54.79 51.32 2kvr n ASP 107 Cb 0.27 -0.94 0.01 0.00 -1.14 0.00 0.00 41.12 39.33 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 0.29 -0.69 0.00 6.12 0.00 -0.70 -4.21 105.19 106.01 2kvr n GLY 108 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.07 4.31 -4.08 1.61 2.85 -0.30 -4.35 115.26 115.23 2kvr n ASN 109 Ca 0.02 -0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.28 2kvr n ASN 109 Cb 0.09 0.15 -0.02 0.00 1.24 0.00 0.00 39.78 41.25 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 -2.35 0.95 -1.96 1.20 -0.00 -0.93 -4.89 118.16 110.18 2kvr n LYS 110 Ca -0.00 -2.63 -0.31 0.00 -0.00 0.00 0.00 58.31 55.37 2kvr n LYS 110 Cb 0.50 0.43 0.01 0.00 -0.00 0.00 0.00 35.03 35.96 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 -2.14 4.71 -1.46 0.58 -4.23 -1.26 -0.96 115.64 110.87 2kvr s THR 111 Ca 0.16 0.86 0.27 0.00 -1.18 0.00 0.00 61.69 61.80 2kvr s THR 111 Cb -0.01 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.26 2kvr s THR 111 CO 0.10 -1.10 1.71 1.15 -0.54 0.00 0.00 174.62 175.94 2kvr n MET 112 N -2.63 0.50 0.13 3.99 0.00 -1.00 -3.62 117.12 114.49 2kvr n MET 112 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 57.70 57.58 2kvr n MET 112 Cb 0.54 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 32.71 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 0.53 1.13 -0.07 3.17 6.09 -1.68 -1.97 117.51 124.71 2kvr h ILE 113 Ca 0.00 -0.53 -0.12 0.00 -1.37 0.00 0.00 64.86 62.83 2kvr h ILE 113 Cb 0.44 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 2kvr h ILE 113 CO 0.00 0.17 -0.52 -0.33 -3.07 0.00 0.00 178.15 174.40 2kvr h GLU 114 N 0.22 0.19 0.00 2.19 5.08 -1.86 0.09 114.58 120.48 2kvr h GLU 114 Ca 0.05 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2kvr h GLU 114 Cb 0.23 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2kvr h GLU 114 CO 0.01 0.66 -1.06 -0.07 -1.00 0.00 0.00 179.01 177.56 2kvr h LEU 115 N 0.15 0.00 -1.52 1.33 3.38 -1.74 -3.36 115.31 113.54 2kvr h LEU 115 Ca 0.00 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 2kvr h LEU 115 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kvr h LEU 115 CO 0.08 1.40 0.04 0.77 0.09 0.00 0.00 178.44 180.82 2kvr h SER 116 N -1.00 0.32 -5.37 -0.43 4.64 -1.41 -3.47 113.55 106.83 2kvr h SER 116 Ca -0.29 -0.04 -0.27 0.00 -0.47 0.00 0.00 61.79 60.73 2kvr h SER 116 Cb 1.23 -0.08 0.18 0.00 -0.31 0.00 0.00 62.40 63.42 2kvr h SER 116 CO -0.17 0.35 -0.78 -0.67 -0.87 0.00 0.00 176.83 174.68 2kvr n ASP 117 N -4.38 -4.64 0.00 4.97 2.03 0.01 -3.77 116.55 110.77 2kvr n ASP 117 Ca 0.01 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2kvr n ASP 117 Cb 0.17 -4.92 0.00 0.00 -0.72 0.00 0.00 41.12 35.65 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 -3.08 0.00 -4.86 1.67 3.02 -1.18 -4.99 115.26 105.82 2kvr n ASN 118 Ca -0.15 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.09 2kvr n ASN 118 Cb 0.63 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.03 3.80 -0.28 3.52 -1.05 -1.25 -5.10 118.70 118.31 2kvr s GLU 119 Ca 0.00 0.66 -0.18 0.00 -0.15 0.00 0.00 54.97 55.30 2kvr s GLU 119 Cb 0.00 -2.25 0.08 0.00 -0.44 0.00 0.00 34.13 31.51 2kvr s GLU 119 CO 0.00 -0.21 0.70 0.54 0.95 0.00 0.00 175.26 177.24 2kvr s ASN 120 N -3.34 -0.90 0.53 0.83 4.22 -1.26 -4.58 114.94 110.44 2kvr s ASN 120 Ca 0.54 1.50 -0.17 0.00 -2.14 0.00 0.00 52.86 52.59 2kvr s ASN 120 Cb -0.10 1.41 -0.07 0.00 1.28 0.00 0.00 41.25 43.77 2kvr s ASN 120 CO 0.36 -0.24 1.01 -2.16 -2.04 0.00 0.00 177.10 174.02 2kvr s PRO 121 N 1.31 3.77 -0.30 3.55 0.05 -1.26 -4.95 135.00 137.17 2kvr s PRO 121 Ca -0.07 1.10 -0.04 0.00 0.05 0.00 0.00 61.00 62.04 2kvr s PRO 121 Cb -0.05 -2.10 0.04 0.00 0.05 0.00 0.00 34.50 32.43 2kvr s PRO 121 CO -0.14 -0.43 0.02 -0.46 0.05 0.00 0.00 177.00 176.04 2kvr s TRP 122 N -2.44 3.20 -0.17 0.56 -0.00 -0.46 -4.91 118.94 114.71 2kvr s TRP 122 Ca 0.62 -1.57 -0.29 0.00 -0.00 0.00 0.00 56.10 54.86 2kvr s TRP 122 Cb -0.12 -2.16 -0.01 0.00 -0.00 0.00 0.00 33.47 31.18 2kvr s TRP 122 CO 0.30 -0.74 1.14 0.99 -0.00 0.00 0.00 176.95 178.64 2kvr s THR 123 N 1.34 4.49 -0.06 5.86 2.01 -1.26 -0.96 115.64 127.05 2kvr s THR 123 Ca -0.02 1.79 -0.07 0.00 0.31 0.00 0.00 61.69 63.71 2kvr s THR 123 Cb -0.19 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2kvr s THR 123 CO -0.00 -0.12 0.18 -0.51 -0.69 0.00 0.00 174.62 173.48 2kvr s ILE 124 N 3.07 0.01 0.11 1.82 2.07 -0.64 -2.56 121.20 125.08 2kvr s ILE 124 Ca 0.50 -0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.45 2kvr s ILE 124 Cb -0.19 -0.28 -0.07 0.00 0.13 0.00 0.00 42.46 42.05 2kvr s ILE 124 CO 0.12 -0.03 0.70 -0.36 -1.91 0.00 0.00 174.94 173.46 2kvr s PHE 125 N -0.03 3.84 0.07 3.50 0.08 -0.31 -4.22 117.98 120.91 2kvr s PHE 125 Ca -0.01 1.47 -0.19 0.00 0.12 0.00 0.00 56.93 58.32 2kvr s PHE 125 Cb -0.02 -2.68 -0.07 0.00 -0.57 0.00 0.00 43.02 39.69 2kvr s PHE 125 CO 0.00 0.50 0.56 -1.17 -0.10 0.00 0.00 175.22 175.02 2kvr s LEU 126 N -0.94 4.52 0.03 -0.37 0.20 -1.26 -2.16 118.68 118.69 2kvr s LEU 126 Ca 0.34 1.24 0.01 0.00 0.69 0.00 0.00 54.13 56.41 2kvr s LEU 126 Cb -0.21 -2.89 -0.02 0.00 -0.43 0.00 0.00 46.19 42.63 2kvr s LEU 126 CO 0.23 0.27 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.81 2kvr s GLU 127 N -1.14 0.39 0.00 1.98 2.56 -0.07 -4.99 118.70 117.43 2kvr s GLU 127 Ca 0.29 -0.57 0.24 0.00 0.00 0.00 0.00 54.97 54.93 2kvr s GLU 127 Cb -0.19 -0.13 0.22 0.00 2.00 0.00 0.00 34.13 36.03 2kvr s GLU 127 CO 0.19 0.02 1.28 2.41 -0.56 0.00 0.00 175.26 178.59