#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 -0.00 0.54 5.75 -2.05 -3.14 115.11 116.20 2kvr h GLN 2 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2kvr h GLN 2 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2kvr h GLN 2 CO 0.00 0.64 -0.20 -0.56 -2.65 0.00 0.00 178.83 176.06 2kvr h GLN 3 N 0.00 0.00 -0.07 1.69 3.07 -2.05 -0.64 115.11 117.11 2kvr h GLN 3 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2kvr h GLN 3 Cb 1.16 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 2kvr h GLN 3 CO 0.08 0.20 0.00 -0.07 0.09 0.00 0.00 178.83 179.14 2kvr h LEU 4 N 0.00 0.13 0.00 0.06 3.38 -1.99 -2.64 115.31 114.25 2kvr h LEU 4 Ca -0.00 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2kvr h LEU 4 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2kvr h LEU 4 CO 0.03 0.39 -0.45 1.62 0.09 0.00 0.00 178.44 180.11 2kvr h VAL 5 N -0.14 0.72 0.61 1.22 3.04 -1.62 -2.77 116.25 117.31 2kvr h VAL 5 Ca 0.02 -2.03 -0.03 0.00 -1.01 0.00 0.00 66.70 63.66 2kvr h VAL 5 Cb 0.32 2.35 0.01 0.00 -2.01 0.00 0.00 31.29 31.95 2kvr h VAL 5 CO 0.00 0.41 -0.29 -0.08 -1.01 0.00 0.00 177.57 176.60 2kvr h GLU 6 N 0.00 -0.79 -0.08 4.17 4.81 -1.13 -2.76 114.58 118.81 2kvr h GLU 6 Ca -0.01 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2kvr h GLU 6 Cb 1.33 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.89 2kvr h GLU 6 CO 0.05 -0.49 0.03 0.07 -0.73 0.00 0.00 179.01 177.95 2kvr h ARG 7 N -1.16 0.11 0.15 1.92 -0.00 -1.56 -0.03 114.38 113.81 2kvr h ARG 7 Ca -0.08 -0.01 0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2kvr h ARG 7 Cb 0.66 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.97 30.56 2kvr h ARG 7 CO 0.14 0.09 -0.46 1.25 -0.00 0.00 0.00 179.97 180.99 2kvr h LEU 8 N 0.11 -1.35 -0.19 0.08 6.46 -1.48 -2.58 115.31 116.36 2kvr h LEU 8 Ca 0.03 0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.78 2kvr h LEU 8 Cb 0.02 0.50 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 2kvr h LEU 8 CO -0.00 -0.52 -0.73 1.56 -0.62 0.00 0.00 178.44 178.12 2kvr h GLN 9 N -0.71 0.00 -0.33 1.25 4.20 -1.06 -0.06 115.11 118.40 2kvr h GLN 9 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kvr h GLN 9 Cb 0.72 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2kvr h GLN 9 CO -0.24 0.73 0.10 0.93 -0.67 0.00 0.00 178.83 179.67 2kvr h GLU 10 N 0.00 0.47 0.07 1.46 4.39 -0.96 -2.84 114.58 117.16 2kvr h GLU 10 Ca -0.01 -0.07 -0.27 0.00 0.34 0.00 0.00 59.36 59.35 2kvr h GLU 10 Cb 1.48 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 2kvr h GLU 10 CO 0.09 0.42 -1.47 0.93 -1.16 0.00 0.00 179.01 177.82 2kvr h GLU 11 N 0.47 0.14 -0.99 2.33 5.08 -1.45 -3.42 114.58 116.74 2kvr h GLU 11 Ca 0.11 -0.24 0.30 0.00 -1.00 0.00 0.00 59.36 58.53 2kvr h GLU 11 Cb 0.15 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.35 2kvr h GLU 11 CO -0.01 1.12 0.54 -0.22 -1.00 0.00 0.00 179.01 179.44 2kvr h LYS 12 N -0.51 0.35 -0.04 2.33 3.64 -0.78 -2.61 116.57 118.95 2kvr h LYS 12 Ca -0.35 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 2kvr h LYS 12 Cb 1.62 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2kvr h LYS 12 CO -0.05 0.23 0.49 0.07 -2.27 0.00 0.00 179.45 177.92 2kvr h ARG 13 N 0.36 0.00 0.00 1.90 -0.00 -1.76 -1.49 114.38 113.39 2kvr h ARG 13 Ca 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.68 2kvr h ARG 13 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.51 2kvr h ARG 13 CO -0.59 0.00 0.00 0.44 -0.00 0.00 0.00 179.97 179.82 2kvr n ILE 14 N -2.86 0.95 -0.02 0.08 -0.00 -0.98 -2.99 119.36 113.53 2kvr n ILE 14 Ca -0.01 0.35 0.22 0.00 -0.00 0.00 0.00 62.75 63.32 2kvr n ILE 14 Cb 0.54 -1.28 0.72 0.00 -0.00 0.00 0.00 39.64 39.62 2kvr n ILE 14 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 2kvr h GLU 15 N 0.00 0.00 -0.13 6.28 4.11 -1.54 0.78 114.58 124.07 2kvr h GLU 15 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 2kvr h GLU 15 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kvr h GLU 15 CO 0.00 0.00 0.09 0.00 0.07 0.00 0.00 179.01 179.17 2kvr h ALA 16 N 1.63 2.04 0.00 1.06 0.00 -1.81 -1.17 119.26 121.00 2kvr h ALA 16 Ca 0.28 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2kvr h ALA 16 Cb 1.20 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2kvr h ALA 16 CO -0.00 -0.06 -1.79 1.04 0.00 0.00 0.00 179.25 178.43 2kvr n GLN 17 N -4.51 1.60 -0.08 0.00 6.02 -0.30 -4.65 117.38 115.45 2kvr n GLN 17 Ca -0.00 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 2kvr n GLN 17 Cb 0.16 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 2kvr n GLN 17 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2kvr h LYS 18 N 0.00 0.00 -0.50 -1.09 1.63 -0.89 -3.39 116.57 112.32 2kvr h LYS 18 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2kvr h LYS 18 Cb 1.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 2kvr h LYS 18 CO -0.00 0.44 0.00 -2.13 -3.45 0.00 0.00 179.45 174.31 2kvr n ARG 19 N -4.55 1.89 -0.36 1.90 0.63 -0.45 -4.43 116.66 111.30 2kvr n ARG 19 Ca -0.17 -0.98 0.26 0.00 -0.92 0.00 0.00 57.85 56.04 2kvr n ARG 19 Cb 0.43 -1.43 0.53 0.00 0.45 0.00 0.00 32.46 32.44 2kvr n ARG 19 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2kvr h LYS 20 N 1.44 0.31 -6.12 -0.14 1.57 -1.76 -3.41 116.57 108.45 2kvr h LYS 20 Ca 0.00 -0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 2kvr h LYS 20 Cb 0.61 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2kvr h LYS 20 CO 0.07 0.20 -0.40 -1.83 -0.57 0.00 0.00 179.45 176.92 2kvr s GLU 21 N -5.51 2.48 -0.39 3.15 4.04 -1.26 -5.10 118.70 116.11 2kvr s GLU 21 Ca -0.09 -1.59 0.10 0.00 0.04 0.00 0.00 54.97 53.43 2kvr s GLU 21 Cb 0.28 -2.30 0.39 0.00 0.02 0.00 0.00 34.13 32.51 2kvr s GLU 21 CO 0.80 -0.18 1.18 2.89 -1.84 0.00 0.00 175.26 178.11 2kvr n ARG 22 N -1.49 1.13 -3.77 -4.83 1.85 -1.26 -5.01 116.66 103.29 2kvr n ARG 22 Ca 0.03 -2.26 -0.10 0.00 -1.00 0.00 0.00 57.85 54.53 2kvr n ARG 22 Cb 0.62 -0.61 -0.06 0.00 -1.05 0.00 0.00 32.46 31.36 2kvr n ARG 22 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2kvr s GLN 23 N -0.67 0.97 -0.23 2.89 0.74 -1.26 -5.12 119.66 116.98 2kvr s GLN 23 Ca 0.24 -0.86 -0.29 0.00 0.05 0.00 0.00 55.36 54.51 2kvr s GLN 23 Cb 0.39 0.40 -0.04 0.00 1.10 0.00 0.00 33.01 34.86 2kvr s GLN 23 CO -0.05 -0.35 1.93 -1.21 -0.55 0.00 0.00 175.29 175.06 2kvr s GLU 24 N -3.84 3.43 0.00 1.67 8.01 -1.26 -4.87 118.70 121.83 2kvr s GLU 24 Ca 0.05 1.81 0.00 0.00 0.01 0.00 0.00 54.97 56.84 2kvr s GLU 24 Cb 0.03 -4.23 0.00 0.00 -4.31 0.00 0.00 34.13 25.63 2kvr s GLU 24 CO -0.11 -1.75 0.00 0.00 0.01 0.00 0.00 175.26 173.41 2kvr n ALA 25 N 10.18 0.00 1.51 5.21 0.00 -1.26 -5.02 120.51 131.13 2kvr n ALA 25 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.75 2kvr n ALA 25 Cb 0.45 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.30 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 -3.36 115.22 112.99 2kvr n HIS 26 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 2kvr n HIS 26 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 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 -0.77 1.46 -0.93 2.39 7.99 -1.26 -4.59 117.00 121.29 2kvr n LEU 27 Ca 0.10 -0.74 0.00 0.00 -0.01 0.00 0.00 56.01 55.36 2kvr n LEU 27 Cb 0.05 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 2kvr n LEU 27 CO 0.07 0.27 0.12 -1.22 -1.51 0.00 0.00 177.39 175.12 2kvr n TYR 28 N 0.03 0.00 -0.76 -1.77 4.02 -1.21 -1.10 117.16 116.36 2kvr n TYR 28 Ca 0.04 -0.11 -0.30 0.00 -0.01 0.00 0.00 57.90 57.53 2kvr n TYR 28 Cb 0.32 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.80 0.00 -3.04 -0.72 0.00 -0.01 -3.05 117.12 111.10 2kvr n MET 29 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 2kvr n MET 29 Cb 0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 33.22 32.62 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 1.25 4.44 -0.06 2.12 1.11 -1.26 -1.93 119.66 125.34 2kvr s GLN 30 Ca 0.46 1.03 -0.00 0.00 0.01 0.00 0.00 55.36 56.86 2kvr s GLN 30 Cb -0.66 -3.13 0.03 0.00 -1.01 0.00 0.00 33.01 28.24 2kvr s GLN 30 CO 0.36 0.51 -0.02 0.54 0.01 0.00 0.00 175.29 176.69 2kvr s VAL 31 N -1.28 0.43 -0.34 1.09 0.11 -0.30 -2.36 120.40 117.74 2kvr s VAL 31 Ca 0.38 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 59.17 2kvr s VAL 31 Cb -0.21 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2kvr s VAL 31 CO 0.24 0.24 1.00 -1.10 -3.33 0.00 0.00 175.10 172.15 2kvr s GLN 32 N 1.45 3.97 -0.07 1.54 -0.21 0.68 -2.15 119.66 124.87 2kvr s GLN 32 Ca -0.03 0.84 0.05 0.00 0.02 0.00 0.00 55.36 56.24 2kvr s GLN 32 Cb -0.13 -3.77 -0.01 0.00 1.00 0.00 0.00 33.01 30.10 2kvr s GLN 32 CO -0.03 -0.92 -0.24 0.42 -2.12 0.00 0.00 175.29 172.40 2kvr s ILE 33 N 3.57 2.13 -0.02 1.08 -1.09 -0.47 -0.90 121.20 125.50 2kvr s ILE 33 Ca 0.42 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 2kvr s ILE 33 Cb -0.12 -1.78 -0.00 0.00 -1.58 0.00 0.00 42.46 38.98 2kvr s ILE 33 CO 0.17 0.57 -0.10 0.68 -1.23 0.00 0.00 174.94 175.03 2kvr s VAL 34 N -0.06 0.84 -0.27 2.92 -7.23 -1.12 -1.20 120.40 114.27 2kvr s VAL 34 Ca -0.07 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2kvr s VAL 34 Cb -0.15 -0.73 0.09 0.00 0.56 0.00 0.00 36.38 36.15 2kvr s VAL 34 CO 0.05 0.25 0.06 0.00 -0.31 0.00 0.00 175.10 175.15 2kvr s ALA 35 N 0.05 1.53 -1.04 1.32 0.00 -1.26 -1.32 121.76 121.03 2kvr s ALA 35 Ca -0.01 -1.44 -0.23 0.00 0.00 0.00 0.00 51.96 50.28 2kvr s ALA 35 Cb -0.07 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.55 2kvr s ALA 35 CO 0.00 -1.49 1.70 -2.00 0.00 0.00 0.00 175.76 173.97 2kvr s GLU 36 N 1.61 3.21 0.00 0.00 2.12 -1.26 -4.54 118.70 119.85 2kvr s GLU 36 Ca 0.05 -1.01 0.27 0.00 0.36 0.00 0.00 54.97 54.64 2kvr s GLU 36 Cb -0.17 -5.28 1.00 0.00 0.26 0.00 0.00 34.13 29.93 2kvr s GLU 36 CO -0.18 -2.77 1.71 -3.47 -0.54 0.00 0.00 175.26 170.02 2kvr n ASP 37 N 10.97 1.51 0.22 -1.70 2.03 -0.27 -4.57 116.55 124.74 2kvr n ASP 37 Ca 0.39 -1.53 -0.15 0.00 0.52 0.00 0.00 54.79 54.02 2kvr n ASP 37 Cb 0.49 -0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.78 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 2.29 -0.53 0.00 -0.67 5.75 -1.83 -1.93 115.11 118.18 2kvr h GLN 38 Ca 0.00 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2kvr h GLN 38 Cb 0.49 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 2kvr h GLN 38 CO 0.00 -0.26 -0.07 0.27 -2.65 0.00 0.00 178.83 176.12 2kvr h PHE 39 N -0.75 0.00 0.00 3.99 -0.00 -1.93 -2.12 116.94 116.13 2kvr h PHE 39 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.97 57.74 2kvr h PHE 39 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.45 2kvr h PHE 39 CO -0.00 0.07 -0.80 0.00 -0.00 0.00 0.00 178.31 177.57 2kvr n GLY 41 N 0.84 2.96 3.14 0.00 0.00 -0.75 -5.14 105.19 106.24 2kvr n GLY 41 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2kvr n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kvr s HIS 42 N 3.98 -0.50 0.25 1.61 2.46 -1.25 -4.98 115.29 116.86 2kvr s HIS 42 Ca 0.00 1.09 -0.30 0.00 0.47 0.00 0.00 55.06 56.32 2kvr s HIS 42 Cb 0.00 0.13 -0.14 0.00 -0.13 0.00 0.00 32.58 32.43 2kvr s HIS 42 CO 0.00 -0.33 1.12 0.00 -2.47 0.00 0.00 174.74 173.05 2kvr n GLN 43 N 4.69 1.42 0.33 2.88 10.64 -1.26 -4.96 117.38 131.11 2kvr n GLN 43 Ca -0.18 0.50 -0.13 0.00 -1.83 0.00 0.00 57.00 55.36 2kvr n GLN 43 Cb 0.52 -1.95 -0.06 0.00 -0.86 0.00 0.00 30.24 27.89 2kvr n GLN 43 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2kvr h GLY 44 N 2.70 -0.89 0.00 2.61 0.00 -1.95 -3.48 103.07 102.06 2kvr h GLY 44 Ca -0.42 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2kvr h GLY 44 CO 0.65 -0.32 0.00 0.70 0.00 0.00 0.00 176.54 177.57 2kvr n ASN 45 N -4.92 0.00 0.00 0.19 5.03 -1.26 -5.08 115.26 109.22 2kvr n ASN 45 Ca -0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.34 2kvr n ASN 45 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 2kvr n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kvr n ASP 46 N 0.00 0.00 0.17 6.41 8.00 -1.26 -5.04 116.55 124.82 2kvr n ASP 46 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kvr n ASP 46 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kvr n ASP 46 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2kvr n MET 47 N 0.00 0.00 -3.57 -1.24 1.56 -1.26 -5.01 117.12 107.60 2kvr n MET 47 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.16 2kvr n MET 47 Cb 0.00 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.26 2kvr n MET 47 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 2kvr n TYR 48 N -3.47 0.58 -3.12 1.12 4.19 -1.26 -5.07 117.16 110.13 2kvr n TYR 48 Ca 0.00 -3.67 -0.45 0.00 3.31 0.00 0.00 57.90 57.09 2kvr n TYR 48 Cb 0.00 -0.06 -0.04 0.00 0.49 0.00 0.00 39.34 39.73 2kvr n TYR 48 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2kvr s ASP 49 N -0.51 6.22 0.39 2.98 1.11 -1.26 -4.82 116.67 120.78 2kvr s ASP 49 Ca 0.30 -1.51 0.27 0.00 0.18 0.00 0.00 52.55 51.80 2kvr s ASP 49 Cb 0.01 -2.30 1.40 0.00 1.07 0.00 0.00 42.92 43.11 2kvr s ASP 49 CO -0.19 -1.09 1.84 -0.33 1.18 0.00 0.00 175.17 176.58 2kvr h GLU 50 N 9.12 0.00 -0.25 8.23 5.08 -1.97 0.07 114.58 134.86 2kvr h GLU 50 Ca -0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2kvr h GLU 50 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kvr h GLU 50 CO 1.09 0.00 -0.36 0.93 -1.00 0.00 0.00 179.01 179.67 2kvr h GLU 51 N 0.00 0.56 -0.56 2.33 5.08 -1.92 -3.35 114.58 116.72 2kvr h GLU 51 Ca 0.00 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.78 2kvr h GLU 51 Cb 0.11 -0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.95 2kvr h GLU 51 CO 0.00 0.84 -1.07 1.17 -1.00 0.00 0.00 179.01 178.95 2kvr n LYS 52 N -4.05 2.02 -1.33 2.33 0.00 -0.16 -1.12 118.16 115.86 2kvr n LYS 52 Ca -0.01 -3.62 -0.29 0.00 0.00 0.00 0.00 58.31 54.39 2kvr n LYS 52 Cb 0.49 -1.70 0.14 0.00 0.00 0.00 0.00 35.03 33.96 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 -3.91 2.36 0.00 3.15 -7.23 -0.24 -4.87 120.40 109.66 2kvr s VAL 53 Ca 0.31 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 2kvr s VAL 53 Cb 0.35 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.58 2kvr s VAL 53 CO -0.02 -0.15 0.00 0.29 -0.31 0.00 0.00 175.10 174.91 2kvr n LYS 54 N -3.89 -0.72 -1.90 4.82 4.01 -1.26 -4.83 118.16 114.39 2kvr n LYS 54 Ca 0.06 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.43 2kvr n LYS 54 Cb 0.57 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.06 2kvr n LYS 54 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2kvr s TYR 55 N -0.74 1.68 -0.21 2.13 2.02 -1.26 -4.79 117.35 116.18 2kvr s TYR 55 Ca 0.00 0.46 -0.26 0.00 -0.37 0.00 0.00 57.07 56.91 2kvr s TYR 55 Cb 0.00 -4.05 -0.01 0.00 -0.40 0.00 0.00 41.96 37.50 2kvr s TYR 55 CO 0.00 -3.51 0.86 -0.08 -1.57 0.00 0.00 175.55 171.25 2kvr s THR 56 N 6.49 4.83 -0.37 -0.71 -1.32 -0.34 -4.83 115.64 119.38 2kvr s THR 56 Ca 0.83 1.66 -0.11 0.00 -1.21 0.00 0.00 61.69 62.87 2kvr s THR 56 Cb -0.28 -4.15 0.03 0.00 -1.51 0.00 0.00 72.50 66.59 2kvr s THR 56 CO 0.34 -0.04 0.20 -0.69 -2.21 0.00 0.00 174.62 172.21 2kvr s VAL 57 N 2.59 4.50 -0.13 5.08 1.01 -1.26 -1.37 120.40 130.82 2kvr s VAL 57 Ca 0.38 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2kvr s VAL 57 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kvr s VAL 57 CO 0.09 -0.25 0.15 -0.36 0.00 0.00 0.00 175.10 174.73 2kvr s PHE 58 N 1.54 3.58 -0.32 5.22 0.08 -0.92 -4.87 117.98 122.29 2kvr s PHE 58 Ca 0.02 0.52 -0.02 0.00 0.12 0.00 0.00 56.93 57.57 2kvr s PHE 58 Cb -0.19 -1.98 0.06 0.00 -0.57 0.00 0.00 43.02 40.33 2kvr s PHE 58 CO 0.06 0.67 0.03 -1.59 -0.10 0.00 0.00 175.22 174.29 2kvr s LYS 59 N -0.83 2.31 0.09 0.44 0.00 -1.26 -1.15 119.74 119.35 2kvr s LYS 59 Ca 0.14 -1.38 0.00 0.00 0.00 0.00 0.00 55.97 54.73 2kvr s LYS 59 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 37.83 34.43 2kvr s LYS 59 CO 0.03 -0.70 -0.03 0.14 0.00 0.00 0.00 175.35 174.79 2kvr s VAL 60 N 1.21 0.46 -0.28 1.79 -7.23 -0.81 -4.85 120.40 110.70 2kvr s VAL 60 Ca -0.02 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 2kvr s VAL 60 Cb -0.20 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2kvr s VAL 60 CO -0.02 -0.83 1.76 -0.76 -0.31 0.00 0.00 175.10 174.94 2kvr s LEU 61 N -3.01 3.66 0.45 1.32 2.01 -1.23 -0.83 118.68 121.05 2kvr s LEU 61 Ca 0.13 1.48 0.18 0.00 0.01 0.00 0.00 54.13 55.93 2kvr s LEU 61 Cb 0.07 -3.53 1.08 0.00 0.01 0.00 0.00 46.19 43.82 2kvr s LEU 61 CO -0.05 -1.55 1.98 0.07 1.01 0.00 0.00 176.35 177.82 2kvr h LYS 62 N 12.17 0.00 -0.04 1.70 2.10 -1.45 -2.18 116.57 128.86 2kvr h LYS 62 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2kvr h LYS 62 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2kvr h LYS 62 CO 1.01 0.20 0.00 0.27 -2.00 0.00 0.00 179.45 178.93 2kvr n ASN 63 N -4.08 1.06 -4.93 7.07 6.94 -1.26 -2.59 115.26 117.47 2kvr n ASN 63 Ca -0.02 -1.43 -0.26 0.00 -0.02 0.00 0.00 54.58 52.85 2kvr n ASN 63 Cb 0.27 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.65 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 -1.86 6.36 0.69 0.53 0.15 -0.82 -4.87 113.70 113.88 2kvr s SER 64 Ca 0.38 0.48 -0.14 0.00 0.70 0.00 0.00 55.95 57.37 2kvr s SER 64 Cb 0.20 -2.04 0.02 0.00 -1.71 0.00 0.00 66.02 62.48 2kvr s SER 64 CO 0.31 -0.18 1.13 -0.94 1.20 0.00 0.00 173.24 174.76 2kvr s SER 65 N -3.53 4.79 0.43 5.45 1.04 -1.26 -2.80 113.70 117.82 2kvr s SER 65 Ca 0.40 2.05 0.14 0.00 0.48 0.00 0.00 55.95 59.01 2kvr s SER 65 Cb -0.10 -2.55 0.94 0.00 0.10 0.00 0.00 66.02 64.40 2kvr s SER 65 CO 0.32 -1.85 1.96 0.25 0.98 0.00 0.00 173.24 174.90 2kvr h LEU 66 N -0.24 0.01 -1.32 2.42 7.12 -1.31 -2.43 115.31 119.56 2kvr h LEU 66 Ca -0.46 -0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.67 2kvr h LEU 66 Cb 1.25 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.32 2kvr h LEU 66 CO 0.52 0.23 0.55 0.00 -0.13 0.00 0.00 178.44 179.62 2kvr h ALA 67 N 1.77 1.81 -0.36 1.25 0.00 -1.76 0.14 119.26 122.11 2kvr h ALA 67 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2kvr h ALA 67 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kvr h ALA 67 CO 0.03 -0.02 -0.32 0.93 0.00 0.00 0.00 179.25 179.86 2kvr h GLU 68 N 0.70 0.81 -0.30 0.00 4.39 -1.76 -2.31 114.58 116.11 2kvr h GLU 68 Ca 0.41 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 2kvr h GLU 68 Cb 0.62 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2kvr h GLU 68 CO -0.18 1.01 -0.33 0.35 -1.16 0.00 0.00 179.01 178.71 2kvr h PHE 69 N 0.68 0.76 0.10 4.33 3.57 -1.17 -2.85 116.94 122.36 2kvr h PHE 69 Ca 0.07 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 2kvr h PHE 69 Cb 0.87 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2kvr h PHE 69 CO 0.05 0.90 -0.05 0.28 -2.23 0.00 0.00 178.31 177.26 2kvr h VAL 70 N 0.55 0.99 -0.30 1.41 2.07 -0.62 -1.08 116.25 119.28 2kvr h VAL 70 Ca 0.06 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2kvr h VAL 70 Cb 0.83 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2kvr h VAL 70 CO 0.07 0.08 -0.16 0.06 0.02 0.00 0.00 177.57 177.64 2kvr h GLN 71 N -0.28 0.53 -0.16 1.57 3.07 -1.48 0.12 115.11 118.49 2kvr h GLN 71 Ca -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.54 2kvr h GLN 71 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2kvr h GLN 71 CO 0.02 0.68 0.04 0.77 0.09 0.00 0.00 178.83 180.44 2kvr h SER 72 N 0.48 0.24 0.27 0.06 0.02 -1.45 -2.72 113.55 110.46 2kvr h SER 72 Ca 0.08 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2kvr h SER 72 Cb 0.56 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2kvr h SER 72 CO 0.04 0.39 -0.31 0.25 -1.14 0.00 0.00 176.83 176.05 2kvr h LEU 73 N 0.07 0.07 -0.18 5.07 6.46 -0.77 -2.28 115.31 123.76 2kvr h LEU 73 Ca 0.05 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2kvr h LEU 73 Cb 0.24 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2kvr h LEU 73 CO -0.00 0.39 0.01 -1.28 -0.62 0.00 0.00 178.44 176.94 2kvr h SER 74 N 0.06 0.30 1.63 1.25 0.87 -0.67 -2.57 113.55 114.42 2kvr h SER 74 Ca 0.01 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2kvr h SER 74 Cb 0.59 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kvr h SER 74 CO 0.04 0.52 -0.20 1.56 -0.53 0.00 0.00 176.83 178.22 2kvr h GLN 75 N 0.07 0.00 0.00 2.24 1.08 -1.32 0.09 115.11 117.26 2kvr h GLN 75 Ca 0.05 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.05 2kvr h GLN 75 Cb 0.36 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2kvr h GLN 75 CO 0.01 0.00 -1.42 0.00 -0.95 0.00 0.00 178.83 176.46 2kvr h THR 76 N 0.00 0.69 0.00 -0.54 1.03 -1.40 -3.39 112.91 109.31 2kvr h THR 76 Ca 0.00 -2.31 -0.09 0.00 -0.01 0.00 0.00 66.41 64.00 2kvr h THR 76 Cb 0.91 2.22 -0.02 0.00 -1.07 0.00 0.00 68.15 70.20 2kvr h THR 76 CO 0.00 0.40 -1.52 0.23 -0.01 0.00 0.00 175.52 174.61 2kvr n MET 77 N -2.99 1.59 -0.60 0.00 2.81 -0.97 -5.02 117.12 111.94 2kvr n MET 77 Ca -0.11 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2kvr n MET 77 Cb 0.91 -1.22 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 2.25 0.67 3.64 3.03 0.00 0.01 -5.06 105.19 109.73 2kvr n GLY 78 Ca -0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 3.29 0.14 1.61 0.40 -1.15 -5.01 117.98 115.26 2kvr s PHE 79 Ca 0.00 1.12 -0.34 0.00 -0.60 0.00 0.00 56.93 57.11 2kvr s PHE 79 Cb 0.00 -3.13 -0.14 0.00 0.51 0.00 0.00 43.02 40.26 2kvr s PHE 79 CO 0.00 -0.45 1.56 -0.35 0.70 0.00 0.00 175.22 176.67 2kvr n PRO 80 N 6.11 2.01 0.23 0.24 -0.04 -1.26 -4.17 135.00 138.11 2kvr n PRO 80 Ca 0.06 0.72 0.10 0.00 -0.04 0.00 0.00 63.50 64.35 2kvr n PRO 80 Cb 0.47 -2.48 0.67 0.00 -0.04 0.00 0.00 33.50 32.13 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 5.86 0.00 -0.05 0.54 3.07 -1.91 -0.47 115.11 122.16 2kvr h GLN 81 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.23 2kvr h GLN 81 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.82 2kvr h GLN 81 CO 0.88 0.00 -0.22 0.22 0.09 0.00 0.00 178.83 179.79 2kvr h ASP 82 N 0.00 0.08 -0.25 0.06 3.58 -1.97 -3.20 116.42 114.72 2kvr h ASP 82 Ca 0.03 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kvr h ASP 82 Cb 0.13 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kvr h ASP 82 CO -0.00 0.31 0.00 0.00 -2.88 0.00 0.00 179.24 176.67 2kvr n GLN 83 N -4.24 2.83 -2.13 0.28 6.02 -0.28 -4.91 117.38 114.95 2kvr n GLN 83 Ca -0.02 -2.11 -0.31 0.00 -0.01 0.00 0.00 57.00 54.55 2kvr n GLN 83 Cb 0.30 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.41 3.50 -0.57 5.09 1.01 -0.64 -4.06 121.20 124.12 2kvr s ILE 84 Ca 0.23 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 2kvr s ILE 84 Cb 0.14 -4.16 0.11 0.00 0.01 0.00 0.00 42.46 38.56 2kvr s ILE 84 CO 0.11 -1.10 0.63 -0.60 0.00 0.00 0.00 174.94 173.98 2kvr s ARG 85 N 6.71 3.03 -0.02 2.79 3.52 -0.45 -4.97 118.95 129.55 2kvr s ARG 85 Ca 0.65 -1.44 -0.19 0.00 -0.13 0.00 0.00 55.73 54.62 2kvr s ARG 85 Cb -0.07 -4.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.00 2kvr s ARG 85 CO 0.03 -1.46 0.54 -0.51 -0.81 0.00 0.00 175.30 173.09 2kvr s LEU 86 N 2.32 4.40 -0.25 -0.88 1.43 -1.26 -0.93 118.68 123.52 2kvr s LEU 86 Ca 0.09 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2kvr s LEU 86 Cb -0.26 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.19 2kvr s LEU 86 CO 0.05 0.12 -0.10 0.26 0.23 0.00 0.00 176.35 176.91 2kvr s TRP 87 N -0.19 3.01 0.68 0.29 0.52 -0.40 -2.00 118.94 120.85 2kvr s TRP 87 Ca 0.29 -2.13 -0.17 0.00 0.02 0.00 0.00 56.10 54.12 2kvr s TRP 87 Cb -0.17 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2kvr s TRP 87 CO 0.15 -0.85 1.24 -1.25 0.02 0.00 0.00 176.95 176.27 2kvr s PRO 88 N 1.19 2.42 -1.05 4.98 0.04 -1.26 -1.24 135.00 140.09 2kvr s PRO 88 Ca -0.07 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 2kvr s PRO 88 Cb -0.19 -1.85 -0.20 0.00 0.04 0.00 0.00 34.50 32.29 2kvr s PRO 88 CO -0.06 -1.65 2.15 0.00 0.04 0.00 0.00 177.00 177.48 2kvr s MET 89 N -3.61 1.33 -1.05 4.56 0.23 -0.98 -4.84 119.30 114.94 2kvr s MET 89 Ca 0.78 -0.35 -0.20 0.00 -1.03 0.00 0.00 55.69 54.90 2kvr s MET 89 Cb -0.33 -4.97 0.10 0.00 -1.53 0.00 0.00 34.83 28.10 2kvr s MET 89 CO 0.41 -5.25 1.37 -1.14 -2.03 0.00 0.00 175.02 168.38 2kvr s GLN 90 N 8.38 3.71 -1.19 3.16 2.00 -1.26 -4.92 119.66 129.54 2kvr s GLN 90 Ca 0.82 -1.66 -0.17 0.00 -2.00 0.00 0.00 55.36 52.36 2kvr s GLN 90 Cb -0.06 -5.18 -0.04 0.00 0.80 0.00 0.00 33.01 28.53 2kvr s GLN 90 CO 0.16 -2.00 2.12 0.00 -0.50 0.00 0.00 175.29 175.07 2kvr n ALA 91 N 7.55 4.70 -2.51 1.58 0.00 -1.26 -4.88 120.51 125.69 2kvr n ALA 91 Ca 0.32 -3.64 -0.28 0.00 0.00 0.00 0.00 53.44 49.84 2kvr n ALA 91 Cb 0.49 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.26 2kvr n ALA 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kvr s ARG 92 N 3.89 1.84 0.32 0.00 1.81 -1.26 -5.13 118.95 120.42 2kvr s ARG 92 Ca 0.51 -1.25 -0.28 0.00 -1.72 0.00 0.00 55.73 52.99 2kvr s ARG 92 Cb 0.14 -2.09 -0.10 0.00 -0.45 0.00 0.00 34.95 32.45 2kvr s ARG 92 CO -0.01 0.46 1.17 -1.54 -0.68 0.00 0.00 175.30 174.70 2kvr s SER 93 N -2.43 6.95 0.21 0.23 1.04 -1.26 -4.98 113.70 113.47 2kvr s SER 93 Ca 0.20 2.40 -0.31 0.00 0.48 0.00 0.00 55.95 58.72 2kvr s SER 93 Cb -0.10 -2.63 -0.11 0.00 0.10 0.00 0.00 66.02 63.29 2kvr s SER 93 CO 0.12 -0.38 1.59 0.21 0.98 0.00 0.00 173.24 175.76 2kvr s ASN 94 N -0.85 6.51 0.00 7.02 3.84 -1.26 -2.51 114.94 127.69 2kvr s ASN 94 Ca 0.49 2.74 0.00 0.00 0.21 0.00 0.00 52.86 56.30 2kvr s ASN 94 Cb -0.34 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.76 2kvr s ASN 94 CO 0.43 -0.85 0.00 0.61 -2.79 0.00 0.00 177.10 174.50 2kvr n GLY 95 N 3.29 0.77 0.03 1.21 0.00 -1.26 -4.99 105.19 104.24 2kvr n GLY 95 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2kvr n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kvr n THR 96 N -2.16 0.45 -4.80 2.61 -1.04 -1.05 -5.04 114.28 103.26 2kvr n THR 96 Ca 0.00 0.39 -0.26 0.00 -2.04 0.00 0.00 64.05 62.15 2kvr n THR 96 Cb 0.00 -1.75 -0.16 0.00 -1.82 0.00 0.00 70.33 66.60 2kvr n THR 96 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kvr s LYS 97 N -1.56 1.77 -0.16 -2.82 2.20 -1.26 -5.12 119.74 112.79 2kvr s LYS 97 Ca -0.09 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 2kvr s LYS 97 Cb 0.01 -1.52 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 2kvr s LYS 97 CO 0.13 0.21 1.40 1.03 -0.36 0.00 0.00 175.35 177.76 2kvr s ARG 98 N 0.12 4.15 0.82 4.03 0.52 -1.26 -5.01 118.95 122.31 2kvr s ARG 98 Ca -0.05 1.76 -0.12 0.00 -0.52 0.00 0.00 55.73 56.80 2kvr s ARG 98 Cb -0.12 -3.86 0.10 0.00 0.52 0.00 0.00 34.95 31.59 2kvr s ARG 98 CO 0.02 -0.84 1.17 -2.14 0.02 0.00 0.00 175.30 173.54 2kvr s PRO 99 N 3.82 1.78 0.09 3.54 0.02 -1.26 -5.13 135.00 137.86 2kvr s PRO 99 Ca 0.61 -0.05 0.01 0.00 0.02 0.00 0.00 61.00 61.59 2kvr s PRO 99 Cb -0.24 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2kvr s PRO 99 CO 0.21 -1.67 -0.05 0.00 -0.33 0.00 0.00 177.00 175.15 2kvr s ALA 100 N -3.57 0.87 0.79 -1.55 0.00 -1.26 -5.17 121.76 111.86 2kvr s ALA 100 Ca 0.64 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2kvr s ALA 100 Cb -0.10 0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.33 2kvr s ALA 100 CO 0.49 -0.27 1.12 0.00 0.00 0.00 0.00 175.76 177.10 2kvr s MET 101 N -3.86 1.71 0.26 0.00 0.23 -1.26 -4.40 119.30 111.98 2kvr s MET 101 Ca 0.11 -0.33 -0.29 0.00 -1.03 0.00 0.00 55.69 54.15 2kvr s MET 101 Cb 0.06 -2.07 -0.09 0.00 -1.53 0.00 0.00 34.83 31.20 2kvr s MET 101 CO -0.06 -1.62 1.19 -0.51 -2.03 0.00 0.00 175.02 172.00 2kvr s LEU 102 N -5.45 4.48 -0.21 0.18 2.01 -0.85 -4.95 118.68 113.88 2kvr s LEU 102 Ca 0.65 2.37 -0.28 0.00 0.01 0.00 0.00 54.13 56.87 2kvr s LEU 102 Cb -0.08 -3.63 -0.04 0.00 0.01 0.00 0.00 46.19 42.45 2kvr s LEU 102 CO 0.47 -0.33 2.01 -1.81 1.01 0.00 0.00 176.35 177.70 2kvr s ASP 103 N -0.40 5.80 0.62 2.29 1.01 -1.26 -4.86 116.67 119.88 2kvr s ASP 103 Ca 0.49 1.82 0.35 0.00 0.71 0.00 0.00 52.55 55.92 2kvr s ASP 103 Cb -0.34 -2.52 2.00 0.00 1.01 0.00 0.00 42.92 43.07 2kvr s ASP 103 CO 0.42 -1.70 2.25 0.78 0.21 0.00 0.00 175.17 177.13 2kvr h ASN 104 N 13.42 0.00 0.09 0.27 -0.26 -1.99 0.13 115.58 127.25 2kvr h ASN 104 Ca -0.39 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.17 2kvr h ASN 104 Cb 1.21 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.49 2kvr h ASN 104 CO 0.98 0.00 -0.76 -0.08 -1.06 0.00 0.00 177.43 176.51 2kvr h GLU 105 N 0.00 0.36 0.55 0.81 4.81 -1.94 -3.36 114.58 115.80 2kvr h GLU 105 Ca 0.02 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2kvr h GLU 105 Cb 0.15 0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.70 2kvr h GLU 105 CO -0.00 1.20 -0.26 0.00 -0.73 0.00 0.00 179.01 179.21 2kvr h ALA 106 N 0.18 -0.74 -0.12 2.92 0.00 -1.04 -3.32 119.26 117.14 2kvr h ALA 106 Ca -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kvr h ALA 106 Cb 1.53 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2kvr h ALA 106 CO 0.14 -0.69 0.07 0.38 0.00 0.00 0.00 179.25 179.16 2kvr h ASP 107 N -1.19 0.15 0.52 0.00 2.03 -1.29 -2.40 116.42 114.24 2kvr h ASP 107 Ca -0.08 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 2kvr h ASP 107 Cb 0.57 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2kvr h ASP 107 CO 0.12 0.16 0.00 0.61 -1.03 0.00 0.00 179.24 179.11 2kvr n GLY 108 N -0.97 -1.10 0.08 7.15 0.00 -1.26 -2.59 105.19 106.51 2kvr n GLY 108 Ca -0.05 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.99 0.13 -3.21 1.61 5.15 -0.92 -3.76 115.26 112.26 2kvr n ASN 109 Ca 0.02 0.06 -0.16 0.00 -0.60 0.00 0.00 54.58 53.90 2kvr n ASN 109 Cb 0.17 1.04 -0.03 0.00 -0.53 0.00 0.00 39.78 40.43 2kvr n ASN 109 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2kvr n LYS 110 N -2.69 1.26 -1.86 1.20 -0.00 -1.07 -4.96 118.16 110.04 2kvr n LYS 110 Ca -0.25 -1.83 -0.31 0.00 -0.00 0.00 0.00 58.31 55.93 2kvr n LYS 110 Cb 1.02 0.58 0.03 0.00 -0.00 0.00 0.00 35.03 36.66 2kvr n LYS 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2kvr s THR 111 N -1.99 4.11 -0.83 0.58 -4.23 -1.26 -1.65 115.64 110.37 2kvr s THR 111 Ca 0.02 0.69 0.26 0.00 -1.18 0.00 0.00 61.69 61.48 2kvr s THR 111 Cb 0.00 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.32 2kvr s THR 111 CO 0.01 -0.90 1.60 1.15 -0.54 0.00 0.00 174.62 175.95 2kvr n MET 112 N -2.89 0.15 0.23 3.99 0.00 -1.12 -3.74 117.12 113.73 2kvr n MET 112 Ca 0.06 0.07 0.09 0.00 0.00 0.00 0.00 57.70 57.93 2kvr n MET 112 Cb 0.55 -1.62 0.54 0.00 0.00 0.00 0.00 33.22 32.69 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 0.00 0.75 -0.18 3.17 6.09 -1.80 -2.67 117.51 122.88 2kvr h ILE 113 Ca 0.00 -0.96 -0.20 0.00 -1.37 0.00 0.00 64.86 62.34 2kvr h ILE 113 Cb 0.63 1.59 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2kvr h ILE 113 CO 0.00 0.23 -0.68 -0.33 -3.07 0.00 0.00 178.15 174.29 2kvr h GLU 114 N 0.00 0.72 0.15 2.19 5.08 -1.87 -1.11 114.58 119.73 2kvr h GLU 114 Ca -0.00 -0.53 -0.29 0.00 -1.00 0.00 0.00 59.36 57.53 2kvr h GLU 114 Cb 0.57 0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.94 2kvr h GLU 114 CO 0.03 1.15 -1.28 -0.07 -1.00 0.00 0.00 179.01 177.84 2kvr h LEU 115 N 0.51 0.66 -0.61 1.33 3.38 -1.74 -3.20 115.31 115.65 2kvr h LEU 115 Ca -0.02 -0.66 -0.15 0.00 0.09 0.00 0.00 57.88 57.13 2kvr h LEU 115 Cb 1.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2kvr h LEU 115 CO 0.14 1.50 -0.61 0.77 0.09 0.00 0.00 178.44 180.33 2kvr h SER 116 N 0.16 0.35 -5.19 -0.43 4.64 -1.52 -3.48 113.55 108.08 2kvr h SER 116 Ca -0.18 -0.20 -0.33 0.00 -0.47 0.00 0.00 61.79 60.62 2kvr h SER 116 Cb 1.97 -0.10 0.13 0.00 -0.31 0.00 0.00 62.40 64.09 2kvr h SER 116 CO 0.23 0.87 -0.62 -0.67 -0.87 0.00 0.00 176.83 175.78 2kvr n ASP 117 N -3.88 -4.56 0.00 4.97 2.03 -0.45 -3.46 116.55 111.20 2kvr n ASP 117 Ca -0.03 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2kvr n ASP 117 Cb 0.62 -4.46 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 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 -2.56 -0.92 -4.78 1.67 3.02 -1.06 -5.00 115.26 105.63 2kvr n ASN 118 Ca -0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 2kvr n ASN 118 Cb 0.58 -1.06 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 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 -0.44 4.45 -0.24 3.52 -1.05 -1.22 -5.07 118.70 118.65 2kvr s GLU 119 Ca 0.00 1.47 -0.15 0.00 -0.15 0.00 0.00 54.97 56.14 2kvr s GLU 119 Cb 0.00 -2.78 0.07 0.00 -0.44 0.00 0.00 34.13 30.98 2kvr s GLU 119 CO 0.00 0.13 0.58 0.54 0.95 0.00 0.00 175.26 177.46 2kvr s ASN 120 N -1.48 -0.76 -0.01 0.83 2.20 -1.26 -3.96 114.94 110.50 2kvr s ASN 120 Ca 0.52 1.27 -0.30 0.00 -0.94 0.00 0.00 52.86 53.40 2kvr s ASN 120 Cb -0.22 1.16 -0.04 0.00 -2.00 0.00 0.00 41.25 40.15 2kvr s ASN 120 CO 0.28 -0.22 1.14 -2.16 -2.94 0.00 0.00 177.10 173.20 2kvr s PRO 121 N 1.35 4.42 -0.34 3.55 0.04 -1.26 -5.01 135.00 137.76 2kvr s PRO 121 Ca -0.08 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2kvr s PRO 121 Cb -0.06 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 31.03 2kvr s PRO 121 CO -0.14 -0.30 1.11 -0.46 0.04 0.00 0.00 177.00 177.25 2kvr s TRP 122 N 1.59 3.05 -0.00 0.56 -0.00 -1.00 -4.54 118.94 118.59 2kvr s TRP 122 Ca 0.55 1.09 -0.30 0.00 -0.00 0.00 0.00 56.10 57.45 2kvr s TRP 122 Cb -0.25 -3.82 -0.03 0.00 -0.00 0.00 0.00 33.47 29.37 2kvr s TRP 122 CO 0.25 -0.95 1.00 0.99 -0.00 0.00 0.00 176.95 178.24 2kvr s THR 123 N 3.85 4.80 0.09 5.86 2.01 -1.26 -0.23 115.64 130.76 2kvr s THR 123 Ca 0.47 2.02 -0.13 0.00 0.31 0.00 0.00 61.69 64.36 2kvr s THR 123 Cb -0.12 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.12 2kvr s THR 123 CO 0.18 0.15 0.30 -0.51 -0.69 0.00 0.00 174.62 174.05 2kvr s ILE 124 N 1.09 0.10 -0.13 1.82 2.07 -0.07 -2.32 121.20 123.76 2kvr s ILE 124 Ca 0.52 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 2kvr s ILE 124 Cb -0.21 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 2kvr s ILE 124 CO 0.27 -0.45 -0.07 0.12 -1.91 0.00 0.00 174.94 172.91 2kvr s PHE 125 N -3.41 2.95 -0.27 3.50 5.36 -0.37 -2.81 117.98 122.93 2kvr s PHE 125 Ca 0.01 -0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 55.49 2kvr s PHE 125 Cb 0.02 -1.87 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 2kvr s PHE 125 CO -0.09 0.01 0.54 -1.17 -1.46 0.00 0.00 175.22 173.05 2kvr s LEU 126 N 0.07 4.07 0.12 6.12 0.20 -0.44 -1.27 118.68 127.56 2kvr s LEU 126 Ca -0.02 0.53 0.08 0.00 0.69 0.00 0.00 54.13 55.41 2kvr s LEU 126 Cb -0.14 -2.71 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 2kvr s LEU 126 CO 0.03 -0.32 -0.11 -0.70 -0.29 0.00 0.00 176.35 174.96 2kvr s GLU 127 N 2.37 2.05 0.00 1.98 2.56 -0.10 -4.48 118.70 123.08 2kvr s GLU 127 Ca 0.22 -1.10 0.15 0.00 0.00 0.00 0.00 54.97 54.24 2kvr s GLU 127 Cb -0.16 -2.24 0.12 0.00 2.00 0.00 0.00 34.13 33.85 2kvr s GLU 127 CO 0.09 0.49 0.98 2.41 -0.56 0.00 0.00 175.26 178.67