#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvx h LEU 2 N 0.00 -0.25 -1.10 0.00 5.85 -1.82 -1.56 115.31 116.44 1kvx h LEU 2 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1kvx h LEU 2 Cb 0.00 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1kvx h LEU 2 CO 0.00 -0.17 0.10 4.11 -0.34 0.00 0.00 178.44 182.14 1kvx h TRP 3 N -0.30 0.76 -0.25 1.25 5.08 -1.98 -1.37 115.95 119.14 1kvx h TRP 3 Ca -0.03 -0.07 -0.04 0.00 1.08 0.00 0.00 58.89 59.83 1kvx h TRP 3 Cb 0.23 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.16 1kvx h TRP 3 CO -0.06 0.65 -0.00 1.96 -1.28 0.00 0.00 178.44 179.71 1kvx h GLN 4 N 0.71 0.45 -0.46 0.12 7.50 -1.92 -1.14 115.11 120.37 1kvx h GLN 4 Ca 0.16 -0.15 0.06 0.00 0.50 0.00 0.00 58.65 59.22 1kvx h GLN 4 Cb 0.29 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.73 1kvx h GLN 4 CO 0.00 0.62 0.16 0.35 -1.50 0.00 0.00 178.83 178.46 1kvx h PHE 5 N 0.22 0.28 -0.83 2.96 3.57 -0.95 0.72 116.94 122.91 1kvx h PHE 5 Ca 0.07 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1kvx h PHE 5 Cb 0.42 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1kvx h PHE 5 CO 0.04 0.09 0.53 -0.97 -2.23 0.00 0.00 178.31 175.76 1kvx h ASN 6 N 0.33 0.86 0.04 0.41 -0.00 -1.03 -0.98 115.58 115.20 1kvx h ASN 6 Ca 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.42 1kvx h ASN 6 Cb 0.23 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.36 1kvx h ASN 6 CO -0.23 0.58 -0.32 1.23 -0.00 0.00 0.00 177.43 178.69 1kvx h GLY 7 N 1.00 0.44 1.07 1.57 0.00 -0.18 -2.28 103.07 104.69 1kvx h GLY 7 Ca 0.34 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1kvx h GLY 7 CO -0.13 0.35 -0.20 -0.33 0.00 0.00 0.00 176.54 176.23 1kvx h MET 8 N 0.35 0.92 -0.21 4.80 2.86 -0.15 -0.57 114.93 122.94 1kvx h MET 8 Ca 0.04 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1kvx h MET 8 Cb 0.74 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1kvx h MET 8 CO 0.06 1.05 0.06 0.82 1.06 0.00 0.00 176.91 179.96 1kvx h ILE 9 N 0.75 1.19 -0.54 -1.22 2.04 -1.06 -2.59 117.51 116.09 1kvx h ILE 9 Ca 0.10 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1kvx h ILE 9 Cb 0.76 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1kvx h ILE 9 CO 0.06 0.19 0.24 0.11 0.00 0.00 0.00 178.15 178.76 1kvx h LYS 10 N 0.16 0.45 -0.71 2.37 1.57 -1.34 0.56 116.57 119.61 1kvx h LYS 10 Ca 0.07 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1kvx h LYS 10 Cb 0.24 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.32 1kvx h LYS 10 CO -0.00 0.30 -0.13 0.00 -0.57 0.00 0.00 179.45 179.04 1kvx h LYS 12 N 0.02 0.00 -2.76 0.00 1.79 -0.79 -3.40 116.57 111.44 1kvx h LYS 12 Ca 0.35 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.22 1kvx h LYS 12 Cb 0.56 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.81 1kvx h LYS 12 CO -0.71 0.97 -0.78 0.42 -1.08 0.00 0.00 179.45 178.28 1kvx s ILE 13 N -2.70 1.52 0.55 1.86 1.01 0.18 -4.92 121.20 118.69 1kvx s ILE 13 Ca 0.01 -3.25 0.27 0.00 0.00 0.00 0.00 60.65 57.68 1kvx s ILE 13 Cb 0.10 -2.02 0.41 0.00 0.01 0.00 0.00 42.46 40.95 1kvx s ILE 13 CO 0.82 -1.08 1.97 -0.65 0.00 0.00 0.00 174.94 176.00 1kvx h PRO 14 N 5.76 0.00 -0.01 2.79 0.11 -1.49 -2.25 132.00 136.91 1kvx h PRO 14 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1kvx h PRO 14 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1kvx h PRO 14 CO 0.52 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 1kvx n SER 15 N -4.19 0.65 -4.78 -2.05 3.41 -1.26 -4.93 113.62 100.47 1kvx n SER 15 Ca 0.10 -1.24 -0.26 0.00 -0.26 0.00 0.00 58.87 57.22 1kvx n SER 15 Cb 0.65 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1kvx n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kvx s SER 16 N -1.97 5.42 -0.67 4.04 0.15 -0.85 -5.06 113.70 114.76 1kvx s SER 16 Ca 0.43 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.91 1kvx s SER 16 Cb 0.21 -1.38 0.17 0.00 -1.71 0.00 0.00 66.02 63.31 1kvx s SER 16 CO 0.35 0.06 0.46 -1.61 1.20 0.00 0.00 173.24 173.70 1kvx s GLU 17 N -3.17 2.49 0.40 5.44 0.41 -1.26 -4.78 118.70 118.22 1kvx s GLU 17 Ca 0.31 -2.97 0.15 0.00 -0.41 0.00 0.00 54.97 52.05 1kvx s GLU 17 Cb -0.10 -3.55 1.00 0.00 -1.78 0.00 0.00 34.13 29.71 1kvx s GLU 17 CO 0.23 -1.21 1.87 -1.35 -0.49 0.00 0.00 175.26 174.31 1kvx h PRO 18 N 6.15 0.47 0.00 0.39 0.11 -1.94 0.24 132.00 137.41 1kvx h PRO 18 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1kvx h PRO 18 Cb 0.84 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1kvx h PRO 18 CO 0.73 0.31 0.00 -0.07 -0.21 0.00 0.00 178.00 178.76 1kvx h LEU 19 N 0.49 0.00 0.00 2.35 3.38 -1.94 -1.54 115.31 118.04 1kvx h LEU 19 Ca 0.45 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.07 1kvx h LEU 19 Cb 0.99 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1kvx h LEU 19 CO -0.18 0.00 -2.19 0.18 0.09 0.00 0.00 178.44 176.34 1kvx n LEU 20 N -2.62 1.83 0.06 1.67 4.32 0.69 -4.46 117.00 118.49 1kvx n LEU 20 Ca -0.01 0.18 -0.09 0.00 -0.02 0.00 0.00 56.01 56.07 1kvx n LEU 20 Cb 0.14 -0.65 0.03 0.00 -1.62 0.00 0.00 43.42 41.32 1kvx n LEU 20 CO 0.18 0.53 0.33 0.44 -1.22 0.00 0.00 177.39 177.66 1kvx h ASP 21 N -0.61 0.43 -0.29 -1.43 3.32 -1.14 -3.33 116.42 113.37 1kvx h ASP 21 Ca -0.53 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1kvx h ASP 21 Cb 1.52 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1kvx h ASP 21 CO -0.28 1.04 0.00 0.49 -1.72 0.00 0.00 179.24 178.77 1kvx n PHE 22 N -3.80 0.38 -3.79 4.55 3.72 -0.59 -4.88 117.46 113.05 1kvx n PHE 22 Ca -0.04 -0.32 -0.34 0.00 -0.05 0.00 0.00 57.45 56.70 1kvx n PHE 22 Cb 0.73 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 39.20 1kvx n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1kvx s ASN 23 N -1.06 6.46 -1.17 4.37 2.47 -1.24 -4.30 114.94 120.46 1kvx s ASN 23 Ca 0.25 0.49 -0.01 0.00 0.42 0.00 0.00 52.86 54.02 1kvx s ASN 23 Cb 0.14 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1kvx s ASN 23 CO 0.19 0.22 0.98 0.59 -3.72 0.00 0.00 177.10 175.36 1kvx n ASN 24 N 0.86 -2.34 -4.07 -4.21 5.03 -0.76 -4.83 115.26 104.93 1kvx n ASN 24 Ca -0.09 -0.59 -0.27 0.00 0.87 0.00 0.00 54.58 54.50 1kvx n ASN 24 Cb 0.52 -4.98 -0.17 0.00 -1.02 0.00 0.00 39.78 34.14 1kvx n ASN 24 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1kvx s TYR 25 N -3.35 1.76 0.00 3.10 6.14 -0.91 -0.12 117.35 123.98 1kvx s TYR 25 Ca 0.04 -0.68 0.00 0.00 0.64 0.00 0.00 57.07 57.07 1kvx s TYR 25 Cb -0.02 -1.25 0.00 0.00 0.42 0.00 0.00 41.96 41.12 1kvx s TYR 25 CO 0.71 -0.32 0.00 0.41 0.64 0.00 0.00 175.55 176.99 1kvx n GLY 26 N 3.76 1.18 0.06 8.97 0.00 0.57 -2.56 105.19 117.18 1kvx n GLY 26 Ca -0.22 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1kvx n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kvx n TYR 28 N -2.28 0.00 -2.51 0.00 4.02 -1.26 -3.49 117.16 111.64 1kvx n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1kvx n TYR 28 Cb 0.50 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 1kvx n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1kvx n GLY 30 N 4.96 -0.54 3.62 0.00 0.00 -1.26 -1.83 105.19 110.14 1kvx n GLY 30 Ca 0.13 -2.24 -0.53 0.00 0.00 0.00 0.00 46.02 43.38 1kvx n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kvx n LEU 31 N 0.00 1.89 0.00 0.99 4.77 -1.26 -4.63 117.00 118.77 1kvx n LEU 31 Ca 0.00 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 1kvx n LEU 31 Cb 0.00 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1kvx n LEU 31 CO 0.00 -0.86 0.00 0.61 -1.33 0.00 0.00 177.39 175.81 1kvx n GLY 32 N 3.00 0.60 0.00 -0.72 0.00 -1.26 -4.97 105.19 101.83 1kvx n GLY 32 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1kvx n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kvx n GLY 33 N 0.00 3.51 3.84 -0.02 0.00 -1.25 -4.67 105.19 106.59 1kvx n GLY 33 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1kvx n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kvx s SER 34 N 0.00 -0.25 0.00 1.61 1.04 -1.23 -4.97 113.70 109.90 1kvx s SER 34 Ca 0.00 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1kvx s SER 34 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1kvx s SER 34 CO 0.00 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.57 1kvx n GLY 35 N -0.46 -2.21 3.73 7.32 0.00 -1.25 -4.77 105.19 107.55 1kvx n GLY 35 Ca -0.04 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1kvx n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kvx s THR 36 N -0.23 5.16 0.27 2.61 2.01 -1.26 -5.03 115.64 119.17 1kvx s THR 36 Ca 0.00 0.99 -0.31 0.00 0.31 0.00 0.00 61.69 62.69 1kvx s THR 36 Cb 0.00 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.56 1kvx s THR 36 CO 0.00 0.33 1.57 -2.65 -0.69 0.00 0.00 174.62 173.18 1kvx n PRO 37 N 3.59 2.55 0.18 4.92 -0.02 -1.26 -4.84 135.00 140.12 1kvx n PRO 37 Ca -0.07 0.91 0.05 0.00 -2.02 0.00 0.00 63.50 62.37 1kvx n PRO 37 Cb 0.52 -2.67 0.30 0.00 -0.02 0.00 0.00 33.50 31.62 1kvx n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1kvx h VAL 38 N 3.35 0.95 -2.27 -1.45 -1.51 -1.94 -3.48 116.25 109.90 1kvx h VAL 38 Ca -0.46 -1.63 -0.02 0.00 -1.23 0.00 0.00 66.70 63.35 1kvx h VAL 38 Cb 1.23 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 32.37 1kvx h VAL 38 CO 0.81 0.40 0.03 -0.90 -1.23 0.00 0.00 177.57 176.68 1kvx n ASP 39 N -3.55 -0.40 -0.06 4.19 5.68 -1.26 -5.03 116.55 116.13 1kvx n ASP 39 Ca -0.00 -1.34 -0.08 0.00 -0.50 0.00 0.00 54.79 52.87 1kvx n ASP 39 Cb 0.53 0.68 0.09 0.00 -1.14 0.00 0.00 41.12 41.28 1kvx n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1kvx h ASP 40 N 0.40 0.74 -0.65 -1.12 3.32 -1.92 -2.22 116.42 114.95 1kvx h ASP 40 Ca -0.06 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 1kvx h ASP 40 Cb 0.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1kvx h ASP 40 CO 0.08 0.99 0.19 0.25 -1.72 0.00 0.00 179.24 179.04 1kvx h LEU 41 N 0.61 0.98 -1.25 1.55 5.85 -1.93 -1.42 115.31 119.70 1kvx h LEU 41 Ca 0.07 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1kvx h LEU 41 Cb 0.82 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1kvx h LEU 41 CO 0.07 0.93 -0.08 -0.78 -0.34 0.00 0.00 178.44 178.24 1kvx h ASP 42 N 1.01 0.39 -0.32 1.25 3.58 -1.86 -1.91 116.42 118.55 1kvx h ASP 42 Ca 0.22 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 1kvx h ASP 42 Cb 0.31 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1kvx h ASP 42 CO -0.00 0.52 -0.27 0.03 -2.88 0.00 0.00 179.24 176.64 1kvx h ARG 43 N 0.40 0.83 -0.35 0.28 3.08 -0.76 0.15 114.38 118.00 1kvx h ARG 43 Ca 0.08 -0.37 0.06 0.00 0.07 0.00 0.00 59.98 59.83 1kvx h ARG 43 Cb 0.39 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1kvx h ARG 43 CO 0.02 1.00 0.01 0.00 -1.07 0.00 0.00 179.97 179.93 1kvx h GLN 46 N 0.91 0.46 -0.41 0.00 4.15 0.21 0.48 115.11 120.91 1kvx h GLN 46 Ca 0.20 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1kvx h GLN 46 Cb 0.30 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1kvx h GLN 46 CO -0.00 0.30 0.21 1.15 -1.93 0.00 0.00 178.83 178.56 1kvx h THR 47 N 0.47 1.16 -0.44 2.39 2.02 -0.47 -0.55 112.91 117.49 1kvx h THR 47 Ca 0.19 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1kvx h THR 47 Cb 0.07 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1kvx h THR 47 CO -0.12 0.17 -0.02 -0.74 0.37 0.00 0.00 175.52 175.19 1kvx h HIS 48 N 0.52 0.77 -0.23 3.16 -0.00 -0.72 -0.83 115.15 117.82 1kvx h HIS 48 Ca 0.14 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1kvx h HIS 48 Cb 0.09 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1kvx h HIS 48 CO -0.02 0.73 0.14 -0.44 -0.00 0.00 0.00 177.93 178.34 1kvx h ASP 49 N 0.68 0.28 -0.41 3.26 3.32 0.10 -2.39 116.42 121.25 1kvx h ASP 49 Ca 0.13 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1kvx h ASP 49 Cb 0.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1kvx h ASP 49 CO 0.02 0.26 0.17 0.78 -1.72 0.00 0.00 179.24 178.74 1kvx h ASN 50 N 0.28 0.62 -0.07 6.45 2.35 -0.73 -2.32 115.58 122.16 1kvx h ASN 50 Ca 0.08 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kvx h ASN 50 Cb 0.03 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1kvx h ASN 50 CO -0.01 0.57 0.02 0.00 -1.65 0.00 0.00 177.43 176.36 1kvx h TYR 52 N -0.07 1.18 -0.15 0.00 -1.99 -1.32 -0.40 116.97 114.23 1kvx h TYR 52 Ca 0.02 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1kvx h TYR 52 Cb 0.20 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 1kvx h TYR 52 CO -0.01 0.91 -0.07 0.87 -0.00 0.00 0.00 178.16 179.87 1kvx h LYS 53 N 1.11 0.22 -0.12 4.88 1.57 -1.11 -1.35 116.57 121.77 1kvx h LYS 53 Ca 0.25 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 1kvx h LYS 53 Cb 0.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1kvx h LYS 53 CO -0.02 0.31 -0.72 0.37 -0.57 0.00 0.00 179.45 178.82 1kvx h GLN 54 N 0.22 0.58 -0.47 3.15 5.75 0.11 -3.27 115.11 121.18 1kvx h GLN 54 Ca 0.05 -0.45 0.08 0.00 -0.15 0.00 0.00 58.65 58.18 1kvx h GLN 54 Cb 0.27 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 1kvx h GLN 54 CO 0.01 1.08 0.06 0.00 -2.65 0.00 0.00 178.83 177.33 1kvx h ALA 55 N 0.80 0.49 -0.46 3.38 0.00 0.04 -1.96 119.26 121.55 1kvx h ALA 55 Ca -0.03 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1kvx h ALA 55 Cb 1.31 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1kvx h ALA 55 CO 0.14 -0.34 0.32 0.87 0.00 0.00 0.00 179.25 180.24 1kvx h LYS 56 N 0.19 0.14 -0.00 0.00 1.57 -1.52 -0.90 116.57 116.05 1kvx h LYS 56 Ca 0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1kvx h LYS 56 Cb 0.32 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1kvx h LYS 56 CO -0.33 0.09 -0.12 1.63 -0.57 0.00 0.00 179.45 180.15 1kvx n LYS 57 N -4.44 0.25 -2.30 3.15 5.02 -0.74 -4.56 118.16 114.54 1kvx n LYS 57 Ca 0.08 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 1kvx n LYS 57 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 1kvx n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kvx s LEU 58 N -2.79 4.44 0.24 -0.35 1.43 -0.35 -4.92 118.68 116.38 1kvx s LEU 58 Ca 0.20 2.34 -0.05 0.00 -1.03 0.00 0.00 54.13 55.59 1kvx s LEU 58 Cb 0.19 -3.61 0.44 0.00 0.03 0.00 0.00 46.19 43.24 1kvx s LEU 58 CO 0.54 -0.43 1.74 -0.78 0.23 0.00 0.00 176.35 177.64 1kvx h ASP 59 N 5.10 0.31 -0.40 2.29 1.82 -1.91 0.43 116.42 124.05 1kvx h ASP 59 Ca -0.45 0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.16 1kvx h ASP 59 Cb 1.21 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 1kvx h ASP 59 CO 0.75 0.13 -0.24 0.77 -1.61 0.00 0.00 179.24 179.03 1kvx h SER 60 N 0.47 0.94 0.17 2.28 4.64 -1.93 0.93 113.55 121.05 1kvx h SER 60 Ca 0.40 -0.36 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 1kvx h SER 60 Cb 0.59 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1kvx h SER 60 CO -0.38 1.13 -0.80 0.00 -0.87 0.00 0.00 176.83 175.90 1kvx h LYS 62 N 0.33 0.00 0.00 0.00 1.57 0.14 0.53 116.57 119.15 1kvx h LYS 62 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1kvx h LYS 62 Cb 1.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1kvx h LYS 62 CO 0.15 0.47 -0.03 -0.39 -0.57 0.00 0.00 179.45 179.07 1kvx h VAL 63 N 0.00 0.12 0.00 0.50 -1.51 0.83 -3.33 116.25 112.86 1kvx h VAL 63 Ca -0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1kvx h VAL 63 Cb 1.15 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1kvx h VAL 63 CO 0.06 0.03 -0.44 0.18 -1.23 0.00 0.00 177.57 176.17 1kvx n LEU 64 N -3.19 0.89 0.00 4.19 7.99 -0.92 -5.09 117.00 120.87 1kvx n LEU 64 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1kvx n LEU 64 Cb 0.25 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 1kvx n LEU 64 CO 0.26 -0.40 0.00 0.52 -1.51 0.00 0.00 177.39 176.26 1kvx n VAL 65 N -3.40 0.00 -0.12 4.08 0.31 0.18 -5.12 118.33 114.27 1kvx n VAL 65 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1kvx n VAL 65 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1kvx n VAL 65 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kvx n ASP 66 N 0.00 -0.01 -3.60 4.52 5.75 -1.25 -5.08 116.55 116.88 1kvx n ASP 66 Ca 0.00 -0.12 -0.01 0.00 -0.01 0.00 0.00 54.79 54.65 1kvx n ASP 66 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1kvx n ASP 66 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1kvx s ASN 67 N -1.04 -1.02 0.00 -1.12 0.01 -1.26 -5.04 114.94 105.47 1kvx s ASN 67 Ca 0.00 1.42 0.00 0.00 -0.71 0.00 0.00 52.86 53.57 1kvx s ASN 67 Cb 0.00 2.12 0.00 0.00 0.41 0.00 0.00 41.25 43.78 1kvx s ASN 67 CO 0.00 -0.20 0.00 -2.65 -1.51 0.00 0.00 177.10 172.74 1kvx n PRO 68 N 5.27 0.00 -0.60 -0.60 -0.02 -1.26 0.67 135.00 138.46 1kvx n PRO 68 Ca -0.12 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1kvx n PRO 68 Cb 0.50 -0.87 -0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1kvx n PRO 68 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kvx n TYR 69 N 0.19 0.00 -0.88 6.00 4.02 -1.26 -4.31 117.16 120.91 1kvx n TYR 69 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1kvx n TYR 69 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1kvx n TYR 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1kvx n THR 70 N 0.03 0.04 -3.27 -0.72 -2.24 0.21 -4.62 114.28 103.72 1kvx n THR 70 Ca -0.02 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.25 1kvx n THR 70 Cb 0.64 1.57 -0.08 0.00 -2.10 0.00 0.00 70.33 70.36 1kvx n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kvx s ASN 71 N -0.04 6.20 -1.25 3.42 2.47 -1.04 -4.81 114.94 119.89 1kvx s ASN 71 Ca 0.00 -0.87 -0.12 0.00 0.42 0.00 0.00 52.86 52.29 1kvx s ASN 71 Cb 0.00 -2.24 0.16 0.00 -1.45 0.00 0.00 41.25 37.72 1kvx s ASN 71 CO 0.00 -0.71 1.67 0.59 -3.72 0.00 0.00 177.10 174.92 1kvx n ASN 72 N 5.75 5.13 -4.84 -4.21 3.02 -1.26 -3.06 115.26 115.80 1kvx n ASN 72 Ca -0.08 -3.04 -0.25 0.00 -0.03 0.00 0.00 54.58 51.18 1kvx n ASN 72 Cb 0.46 -1.53 0.08 0.00 -0.61 0.00 0.00 39.78 38.18 1kvx n ASN 72 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1kvx s TYR 73 N 1.10 2.67 0.08 3.10 -0.85 -1.26 -5.08 117.35 117.10 1kvx s TYR 73 Ca 0.42 0.32 0.09 0.00 -0.52 0.00 0.00 57.07 57.38 1kvx s TYR 73 Cb 0.04 -3.21 -0.03 0.00 0.38 0.00 0.00 41.96 39.13 1kvx s TYR 73 CO 0.00 -1.49 -0.25 0.45 -1.52 0.00 0.00 175.55 172.74 1kvx s SER 74 N -4.56 3.38 0.23 -0.18 0.15 -1.26 -4.90 113.70 106.56 1kvx s SER 74 Ca 0.62 -0.62 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1kvx s SER 74 Cb -0.10 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1kvx s SER 74 CO 0.45 0.23 0.50 -0.72 1.20 0.00 0.00 173.24 174.89 1kvx s TYR 75 N -0.94 0.19 0.17 3.44 1.13 -1.26 -1.05 117.35 119.03 1kvx s TYR 75 Ca 0.13 -0.56 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1kvx s TYR 75 Cb -0.10 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 1kvx s TYR 75 CO 0.05 -0.98 0.05 -1.54 -2.51 0.00 0.00 175.55 170.62 1kvx s SER 76 N -2.97 0.68 -0.12 -0.18 1.04 -0.05 -4.89 113.70 107.21 1kvx s SER 76 Ca 0.17 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.33 1kvx s SER 76 Cb -0.01 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1kvx s SER 76 CO 0.05 -0.69 0.08 0.00 0.98 0.00 0.00 173.24 173.66 1kvx s SER 78 N 2.16 1.10 -1.48 0.00 1.04 -0.55 -4.81 113.70 111.16 1kvx s SER 78 Ca 0.03 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 1kvx s SER 78 Cb -0.14 -0.50 0.02 0.00 0.10 0.00 0.00 66.02 65.50 1kvx s SER 78 CO -0.07 -0.05 0.50 0.59 0.98 0.00 0.00 173.24 175.18 1kvx n ASN 79 N 4.11 -5.36 -1.09 7.02 4.13 -1.26 -1.18 115.26 121.62 1kvx n ASN 79 Ca -0.23 -0.26 -0.12 0.00 1.68 0.00 0.00 54.58 55.65 1kvx n ASN 79 Cb 0.51 -4.37 -0.03 0.00 -1.54 0.00 0.00 39.78 34.35 1kvx n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1kvx n ASN 80 N -2.38 -4.07 -4.34 6.41 5.03 -1.26 -5.01 115.26 109.64 1kvx n ASN 80 Ca -0.10 0.14 -0.33 0.00 0.87 0.00 0.00 54.58 55.17 1kvx n ASN 80 Cb 0.61 -2.92 -0.15 0.00 -1.02 0.00 0.00 39.78 36.29 1kvx n ASN 80 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1kvx s GLU 81 N -3.74 3.16 -0.22 3.52 2.02 -0.33 -4.55 118.70 118.56 1kvx s GLU 81 Ca 0.00 -0.74 -0.10 0.00 0.02 0.00 0.00 54.97 54.14 1kvx s GLU 81 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 1kvx s GLU 81 CO 0.00 0.26 0.15 0.42 0.02 0.00 0.00 175.26 176.11 1kvx s ILE 82 N 0.20 5.38 -0.17 -1.63 1.01 -1.26 -1.48 121.20 123.25 1kvx s ILE 82 Ca -0.10 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1kvx s ILE 82 Cb -0.16 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 38.86 1kvx s ILE 82 CO 0.06 0.39 -0.13 -0.89 0.00 0.00 0.00 174.94 174.37 1kvx s THR 83 N 0.72 1.60 0.28 2.92 2.01 -0.79 -4.97 115.64 117.40 1kvx s THR 83 Ca 0.08 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1kvx s THR 83 Cb -0.12 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.73 1kvx s THR 83 CO 0.01 0.36 1.15 0.00 -0.69 0.00 0.00 174.62 175.46 1kvx s SER 85 N -0.67 6.83 0.53 0.00 0.15 -0.21 -4.89 113.70 115.44 1kvx s SER 85 Ca 0.46 2.45 0.20 0.00 0.70 0.00 0.00 55.95 59.76 1kvx s SER 85 Cb -0.34 -2.61 1.38 0.00 -1.71 0.00 0.00 66.02 62.74 1kvx s SER 85 CO 0.43 -0.58 2.13 0.28 1.20 0.00 0.00 173.24 176.69 1kvx h SER 86 N 5.50 0.00 0.84 5.45 0.02 -1.93 -0.67 113.55 122.76 1kvx h SER 86 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1kvx h SER 86 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1kvx h SER 86 CO 0.79 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.86 1kvx n GLU 87 N -4.39 0.19 -2.03 3.45 1.02 -1.26 -4.80 120.64 112.82 1kvx n GLU 87 Ca -0.00 0.38 -0.41 0.00 -0.02 0.00 0.00 57.16 57.10 1kvx n GLU 87 Cb 0.21 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 1kvx n GLU 87 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1kvx s ASN 88 N -4.22 6.68 1.12 1.62 0.02 -0.26 -5.01 114.94 114.89 1kvx s ASN 88 Ca 0.05 2.62 -0.17 0.00 -1.02 0.00 0.00 52.86 54.35 1kvx s ASN 88 Cb 0.10 -2.62 0.25 0.00 0.02 0.00 0.00 41.25 39.00 1kvx s ASN 88 CO 0.42 -0.69 1.13 0.54 0.02 0.00 0.00 177.10 178.52 1kvx s ASN 89 N 0.45 1.66 0.26 -1.22 2.20 -1.26 -4.54 114.94 112.49 1kvx s ASN 89 Ca 0.60 0.75 -0.01 0.00 -0.94 0.00 0.00 52.86 53.26 1kvx s ASN 89 Cb -0.41 -1.10 0.56 0.00 -2.00 0.00 0.00 41.25 38.29 1kvx s ASN 89 CO 0.41 -3.68 1.71 0.00 -2.94 0.00 0.00 177.10 172.60 1kvx h ALA 90 N -2.27 1.18 0.42 3.54 0.00 -1.97 0.20 119.26 120.35 1kvx h ALA 90 Ca -0.48 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1kvx h ALA 90 Cb 1.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1kvx h ALA 90 CO 0.42 -0.27 -0.20 0.00 0.00 0.00 0.00 179.25 179.20 1kvx h GLU 92 N -0.97 0.88 -0.45 0.00 5.08 -1.87 -1.43 114.58 115.82 1kvx h GLU 92 Ca -0.06 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1kvx h GLU 92 Cb 0.55 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1kvx h GLU 92 CO 0.09 0.58 -0.08 0.00 -1.00 0.00 0.00 179.01 178.61 1kvx h ALA 93 N 1.57 0.62 -0.07 3.43 0.00 -0.60 -1.39 119.26 122.82 1kvx h ALA 93 Ca 0.52 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kvx h ALA 93 Cb 0.61 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kvx h ALA 93 CO -0.30 0.49 0.04 0.35 0.00 0.00 0.00 179.25 179.82 1kvx h PHE 94 N 0.69 0.09 -0.56 0.00 3.04 -0.27 -2.10 116.94 117.84 1kvx h PHE 94 Ca 0.12 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1kvx h PHE 94 Cb 0.61 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 1kvx h PHE 94 CO 0.05 0.11 0.36 0.82 -2.02 0.00 0.00 178.31 177.63 1kvx h ILE 95 N 0.05 1.12 -0.33 1.41 2.04 -1.40 -1.47 117.51 118.94 1kvx h ILE 95 Ca 0.03 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1kvx h ILE 95 Cb 0.04 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1kvx h ILE 95 CO -0.00 0.13 0.19 0.00 0.00 0.00 0.00 178.15 178.47 1kvx h ASN 97 N 0.45 0.93 -0.58 0.00 -1.24 -0.70 -0.25 115.58 114.20 1kvx h ASN 97 Ca 0.12 -0.59 0.07 0.00 0.71 0.00 0.00 56.30 56.60 1kvx h ASN 97 Cb -0.01 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 38.71 1kvx h ASN 97 CO -0.02 1.36 0.26 0.00 -1.29 0.00 0.00 177.43 177.75 1kvx h ALA 99 N 1.35 0.50 -0.56 0.00 0.00 -1.10 -1.72 119.26 117.73 1kvx h ALA 99 Ca 0.27 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1kvx h ALA 99 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1kvx h ALA 99 CO -0.23 0.47 0.18 -0.09 0.00 0.00 0.00 179.25 179.58 1kvx h ARG 100 N 0.55 0.86 -0.13 0.00 2.43 -0.74 0.17 114.38 117.52 1kvx h ARG 100 Ca 0.07 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1kvx h ARG 100 Cb 0.79 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1kvx h ARG 100 CO 0.06 0.78 0.08 -0.91 -1.51 0.00 0.00 179.97 178.47 1kvx h ASN 101 N 0.77 0.16 -0.13 -3.80 4.21 -1.03 -1.42 115.58 114.35 1kvx h ASN 101 Ca 0.18 -0.06 0.03 0.00 1.21 0.00 0.00 56.30 57.65 1kvx h ASN 101 Cb 0.28 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.41 1kvx h ASN 101 CO -0.01 0.17 -0.04 0.00 -1.29 0.00 0.00 177.43 176.27 1kvx h ALA 102 N 0.99 0.08 -0.43 -0.83 0.00 -1.06 -0.45 119.26 117.56 1kvx h ALA 102 Ca 0.05 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1kvx h ALA 102 Cb 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1kvx h ALA 102 CO -0.01 -0.49 0.09 0.00 0.00 0.00 0.00 179.25 178.85 1kvx h ALA 103 N 1.12 0.48 -0.50 0.00 0.00 -0.68 0.76 119.26 120.44 1kvx h ALA 103 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1kvx h ALA 103 Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1kvx h ALA 103 CO -0.14 -0.31 0.18 0.82 0.00 0.00 0.00 179.25 179.81 1kvx h ILE 104 N 0.23 1.22 -0.39 0.00 2.04 -1.08 -1.94 117.51 117.60 1kvx h ILE 104 Ca 0.21 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.42 1kvx h ILE 104 Cb 0.26 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1kvx h ILE 104 CO -0.27 0.26 0.09 0.00 0.00 0.00 0.00 178.15 178.23 1kvx h PHE 106 N 0.22 0.89 0.00 0.00 -1.00 -0.48 -0.76 116.94 115.81 1kvx h PHE 106 Ca 0.18 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1kvx h PHE 106 Cb 0.21 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.49 1kvx h PHE 106 CO -0.19 0.39 0.00 -1.13 -1.61 0.00 0.00 178.31 175.77 1kvx n SER 107 N -4.71 0.52 -0.81 2.17 3.41 -0.65 -3.31 113.62 110.24 1kvx n SER 107 Ca 0.13 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 1kvx n SER 107 Cb 0.25 -0.73 0.11 0.00 -0.26 0.00 0.00 64.21 63.58 1kvx n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1kvx n LYS 108 N -2.06 1.82 -4.39 4.33 4.01 -0.30 -5.01 118.16 116.56 1kvx n LYS 108 Ca 0.03 -1.77 -0.21 0.00 -0.51 0.00 0.00 58.31 55.85 1kvx n LYS 108 Cb 0.23 -1.38 -0.10 0.00 -0.51 0.00 0.00 35.03 33.27 1kvx n LYS 108 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1kvx s VAL 109 N -1.45 2.01 0.68 -0.18 -7.23 -1.19 -5.09 120.40 107.94 1kvx s VAL 109 Ca 0.25 -2.22 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 1kvx s VAL 109 Cb 0.16 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1kvx s VAL 109 CO 0.24 -0.47 1.12 -2.16 -0.31 0.00 0.00 175.10 173.51 1kvx s PRO 110 N -3.44 2.68 -0.22 4.82 0.05 -1.26 -4.96 135.00 132.67 1kvx s PRO 110 Ca 0.24 1.40 -0.05 0.00 0.05 0.00 0.00 61.00 62.65 1kvx s PRO 110 Cb -0.03 -1.93 -0.01 0.00 0.05 0.00 0.00 34.50 32.57 1kvx s PRO 110 CO 0.09 -1.35 -0.02 -0.47 0.05 0.00 0.00 177.00 175.31 1kvx s TYR 111 N -2.36 2.99 -0.47 0.56 6.14 -1.26 -4.50 117.35 118.45 1kvx s TYR 111 Ca 0.67 -0.75 -0.04 0.00 0.64 0.00 0.00 57.07 57.59 1kvx s TYR 111 Cb -0.21 -2.12 0.12 0.00 0.42 0.00 0.00 41.96 40.18 1kvx s TYR 111 CO 0.43 -0.45 0.28 -0.80 0.64 0.00 0.00 175.55 175.65 1kvx s ASN 112 N 1.38 5.31 0.53 4.32 0.01 -1.26 -4.96 114.94 120.27 1kvx s ASN 112 Ca 0.05 -2.22 0.28 0.00 -0.71 0.00 0.00 52.86 50.26 1kvx s ASN 112 Cb -0.14 -1.86 1.41 0.00 0.41 0.00 0.00 41.25 41.07 1kvx s ASN 112 CO -0.01 -0.52 1.94 0.11 -1.51 0.00 0.00 177.10 177.11 1kvx h LYS 113 N 7.86 0.03 0.00 -0.60 1.79 -1.97 0.64 116.57 124.31 1kvx h LYS 113 Ca -0.11 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1kvx h LYS 113 Cb 1.03 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1kvx h LYS 113 CO 0.72 0.02 0.06 1.05 -1.08 0.00 0.00 179.45 180.22 1kvx h GLU 114 N 0.03 0.00 -0.07 3.15 9.09 -2.03 0.25 114.58 125.00 1kvx h GLU 114 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1kvx h GLU 114 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1kvx h GLU 114 CO -0.01 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.77 1kvx n HIS 115 N -2.56 0.06 -2.66 2.06 8.25 0.22 -4.85 115.22 115.73 1kvx n HIS 115 Ca -0.02 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.00 1kvx n HIS 115 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 1kvx n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1kvx s LYS 116 N -1.94 4.63 -1.14 -0.41 2.47 0.88 -0.32 119.74 123.91 1kvx s LYS 116 Ca 0.32 1.52 -0.07 0.00 -1.56 0.00 0.00 55.97 56.18 1kvx s LYS 116 Cb 0.20 -3.38 -0.03 0.00 -1.46 0.00 0.00 37.83 33.16 1kvx s LYS 116 CO 0.31 0.09 0.87 0.09 0.16 0.00 0.00 175.35 176.86 1kvx n ASN 117 N 3.09 -4.60 -4.74 1.43 5.03 0.83 -4.93 115.26 111.37 1kvx n ASN 117 Ca 0.04 -0.78 -0.41 0.00 0.87 0.00 0.00 54.58 54.30 1kvx n ASN 117 Cb 0.49 -4.61 -0.05 0.00 -1.02 0.00 0.00 39.78 34.59 1kvx n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1kvx s LEU 118 N -6.01 4.57 -0.04 3.41 1.98 -1.25 -5.02 118.68 116.32 1kvx s LEU 118 Ca 0.30 1.93 -0.30 0.00 -2.89 0.00 0.00 54.13 53.17 1kvx s LEU 118 Cb -0.06 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 1kvx s LEU 118 CO 0.78 0.01 1.21 -0.62 -1.89 0.00 0.00 176.35 175.84 1kvx s ASP 119 N -0.60 7.04 0.00 3.68 2.15 -1.26 -4.88 116.67 122.80 1kvx s ASP 119 Ca 0.44 1.85 0.00 0.00 0.43 0.00 0.00 52.55 55.28 1kvx s ASP 119 Cb -0.26 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 1kvx s ASP 119 CO 0.32 -0.58 0.15 0.29 -0.17 0.00 0.00 175.17 175.18 1kvx n LYS 120 N 5.09 0.16 0.07 4.34 4.76 -1.26 -1.41 118.16 129.91 1kvx n LYS 120 Ca 0.11 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 1kvx n LYS 120 Cb 0.46 -1.00 0.01 0.00 -1.84 0.00 0.00 35.03 32.66 1kvx n LYS 120 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1kvx h LYS 121 N 0.03 0.28 0.00 1.97 2.10 -2.02 -3.03 116.57 115.90 1kvx h LYS 121 Ca 0.00 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1kvx h LYS 121 Cb 0.00 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1kvx h LYS 121 CO 0.00 0.95 0.00 0.09 -2.00 0.00 0.00 179.45 178.49 1kvx n ASN 122 N -3.74 0.00 -0.26 7.07 3.02 -0.50 -5.19 115.26 115.65 1kvx n ASN 122 Ca -0.04 -1.71 0.03 0.00 -0.03 0.00 0.00 54.58 52.83 1kvx n ASN 122 Cb 0.76 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.96 1kvx n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64