#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvn s LYS 2 N 0.00 0.80 -0.02 3.17 1.02 -1.26 -4.98 119.74 118.47 1kvn s LYS 2 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1kvn s LYS 2 Cb 0.00 0.35 0.01 0.00 -0.52 0.00 0.00 37.83 37.67 1kvn s LYS 2 CO 0.00 -0.25 -0.02 -1.21 -0.92 0.00 0.00 175.35 172.95 1kvn s GLU 3 N -2.14 0.35 -0.01 1.68 8.01 -1.26 -3.24 118.70 122.08 1kvn s GLU 3 Ca -0.08 -0.04 0.00 0.00 0.01 0.00 0.00 54.97 54.87 1kvn s GLU 3 Cb -0.02 -0.42 0.01 0.00 -4.31 0.00 0.00 34.13 29.39 1kvn s GLU 3 CO -0.01 -0.03 0.01 0.45 0.01 0.00 0.00 175.26 175.69 1kvn s SER 4 N 0.49 0.10 -0.01 -0.19 0.15 0.47 -3.79 113.70 110.93 1kvn s SER 4 Ca -0.05 0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 1kvn s SER 4 Cb -0.08 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1kvn s SER 4 CO -0.01 -0.05 0.58 0.54 1.20 0.00 0.00 173.24 175.51 1kvn s VAL 5 N 0.46 4.92 0.07 4.45 0.11 -1.26 -0.35 120.40 128.80 1kvn s VAL 5 Ca -0.04 1.22 0.05 0.00 -2.93 0.00 0.00 61.98 60.29 1kvn s VAL 5 Cb -0.06 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1kvn s VAL 5 CO -0.01 0.42 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.35 1kvn s VAL 6 N -0.22 1.15 0.39 2.04 1.01 0.91 -4.89 120.40 120.79 1kvn s VAL 6 Ca 0.31 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1kvn s VAL 6 Cb -0.18 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1kvn s VAL 6 CO 0.17 -0.18 0.08 0.26 0.00 0.00 0.00 175.10 175.43 1kvn s TRP 7 N -1.20 1.89 0.06 5.22 0.51 -1.26 -0.97 118.94 123.19 1kvn s TRP 7 Ca -0.01 -1.10 -0.16 0.00 -2.12 0.00 0.00 56.10 52.71 1kvn s TRP 7 Cb -0.10 -1.29 -0.16 0.00 -0.81 0.00 0.00 33.47 31.11 1kvn s TRP 7 CO 0.02 -0.09 1.27 1.15 -0.51 0.00 0.00 176.95 178.79 1kvn h THR 8 N 1.84 1.34 0.08 2.01 2.02 -1.93 -3.33 112.91 114.94 1kvn h THR 8 Ca -0.39 -1.81 -0.28 0.00 0.77 0.00 0.00 66.41 64.71 1kvn h THR 8 Cb 1.27 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 1kvn h THR 8 CO 0.65 0.55 -1.41 -0.37 0.37 0.00 0.00 175.52 175.31 1kvn h VAL 9 N 0.24 1.28 -0.90 3.16 -1.51 -1.96 -3.34 116.25 113.21 1kvn h VAL 9 Ca -0.03 -2.95 0.22 0.00 -1.23 0.00 0.00 66.70 62.71 1kvn h VAL 9 Cb 1.16 2.76 -0.06 0.00 -2.13 0.00 0.00 31.29 33.01 1kvn h VAL 9 CO 0.11 0.82 0.61 0.78 -1.23 0.00 0.00 177.57 178.66 1kvn h ASN 10 N 0.05 0.30 -0.67 4.19 4.21 -1.84 0.61 115.58 122.42 1kvn h ASN 10 Ca -0.19 0.03 -0.38 0.00 1.21 0.00 0.00 56.30 56.98 1kvn h ASN 10 Cb 1.96 -0.02 -0.20 0.00 -1.12 0.00 0.00 38.32 38.93 1kvn h ASN 10 CO 0.15 0.11 0.49 -0.11 -1.29 0.00 0.00 177.43 176.78 1kvn n LEU 11 N -4.46 5.93 -4.75 1.61 7.94 -1.25 -4.01 117.00 118.01 1kvn n LEU 11 Ca 0.19 -3.13 -0.36 0.00 -1.11 0.00 0.00 56.01 51.60 1kvn n LEU 11 Cb 0.77 -0.82 -0.08 0.00 0.53 0.00 0.00 43.42 43.83 1kvn n LEU 11 CO 0.32 1.00 -0.23 -0.62 -1.11 0.00 0.00 177.39 176.75 1kvn s ASP 12 N -0.55 5.82 -0.16 1.96 2.15 0.21 -2.64 116.67 123.46 1kvn s ASP 12 Ca 0.40 0.25 0.13 0.00 0.43 0.00 0.00 52.55 53.76 1kvn s ASP 12 Cb 0.33 -1.86 -0.23 0.00 -0.30 0.00 0.00 42.92 40.85 1kvn s ASP 12 CO 0.05 0.33 0.21 -0.24 -0.17 0.00 0.00 175.17 175.35 1kvn n SER 13 N 2.52 0.65 0.00 -0.34 2.88 0.90 -4.21 113.62 116.01 1kvn n SER 13 Ca -0.18 0.11 0.08 0.00 -1.33 0.00 0.00 58.87 57.54 1kvn n SER 13 Cb 0.54 0.40 0.47 0.00 -0.75 0.00 0.00 64.21 64.87 1kvn n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1kvn n LYS 14 N -2.95 0.45 -2.65 -1.46 4.81 -1.26 -4.81 118.16 110.29 1kvn n LYS 14 Ca -0.30 0.03 -0.31 0.00 -0.87 0.00 0.00 58.31 56.86 1kvn n LYS 14 Cb 1.10 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.62 1kvn n LYS 14 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1kvn s LYS 15 N -2.14 3.85 0.53 1.64 0.00 -1.26 -5.04 119.74 117.32 1kvn s LYS 15 Ca 0.22 0.69 0.08 0.00 0.00 0.00 0.00 55.97 56.96 1kvn s LYS 15 Cb 0.11 -2.28 0.05 0.00 0.00 0.00 0.00 37.83 35.72 1kvn s LYS 15 CO 0.20 -0.14 0.60 -1.54 0.00 0.00 0.00 175.35 174.48 1kvn s SER 16 N -3.11 5.03 0.28 0.03 1.04 -1.26 -4.97 113.70 110.74 1kvn s SER 16 Ca 0.55 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1kvn s SER 16 Cb -0.10 0.10 0.51 0.00 0.10 0.00 0.00 66.02 66.63 1kvn s SER 16 CO 0.31 -1.12 1.85 0.03 0.98 0.00 0.00 173.24 175.30 1kvn h ARG 17 N 0.50 1.03 -0.55 4.02 3.08 -1.99 -1.09 114.38 119.38 1kvn h ARG 17 Ca -0.34 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.65 1kvn h ARG 17 Cb 1.29 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 1kvn h ARG 17 CO 0.48 0.68 0.36 0.00 -1.07 0.00 0.00 179.97 180.42 1kvn h ALA 18 N 1.51 1.62 -0.37 0.04 0.00 -2.04 -1.11 119.26 118.91 1kvn h ALA 18 Ca 0.48 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.46 1kvn h ALA 18 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kvn h ALA 18 CO -0.23 0.35 0.28 0.93 0.00 0.00 0.00 179.25 180.57 1kvn h GLU 19 N 0.73 0.00 -2.82 0.00 4.39 -1.57 -3.47 114.58 111.85 1kvn h GLU 19 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1kvn h GLU 19 Cb -0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1kvn h GLU 19 CO -0.04 0.00 -0.25 0.41 -1.16 0.00 0.00 179.01 177.97 1kvn n GLY 20 N -1.59 -3.45 3.21 -3.84 0.00 -0.42 -5.02 105.19 94.08 1kvn n GLY 20 Ca 0.06 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1kvn n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kvn s ARG 21 N -1.48 1.15 -0.11 1.61 1.81 -1.26 -4.71 118.95 115.95 1kvn s ARG 21 Ca -0.02 -1.59 0.19 0.00 -1.72 0.00 0.00 55.73 52.59 1kvn s ARG 21 Cb 0.00 0.09 0.43 0.00 -0.45 0.00 0.00 34.95 35.02 1kvn s ARG 21 CO 0.05 -0.30 1.19 0.54 -0.68 0.00 0.00 175.30 176.10 1kvn n ARG 22 N -0.25 0.88 -3.89 3.54 3.00 -1.26 -5.03 116.66 113.65 1kvn n ARG 22 Ca -0.02 -2.70 -0.16 0.00 -0.01 0.00 0.00 57.85 54.96 1kvn n ARG 22 Cb 0.65 -0.85 -0.16 0.00 0.00 0.00 0.00 32.46 32.10 1kvn n ARG 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1kvn s ILE 23 N -1.72 0.11 0.48 0.55 -1.09 -1.26 -4.68 121.20 113.59 1kvn s ILE 23 Ca 0.36 0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.67 1kvn s ILE 23 Cb 0.38 -0.21 -0.07 0.00 -1.58 0.00 0.00 42.46 40.98 1kvn s ILE 23 CO -0.11 0.12 1.14 -2.16 -1.23 0.00 0.00 174.94 172.70 1kvn s PRO 24 N 0.97 3.67 0.50 2.79 0.04 -1.26 -4.87 135.00 136.84 1kvn s PRO 24 Ca -0.09 1.68 0.19 0.00 0.04 0.00 0.00 61.00 62.82 1kvn s PRO 24 Cb -0.13 -2.27 1.26 0.00 0.04 0.00 0.00 34.50 33.40 1kvn s PRO 24 CO -0.02 -0.61 2.04 -0.09 0.04 0.00 0.00 177.00 178.37 1kvn h ARG 25 N 1.79 0.10 -0.70 4.56 2.43 -1.95 -2.06 114.38 118.56 1kvn h ARG 25 Ca -0.49 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1kvn h ARG 25 Cb 1.25 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1kvn h ARG 25 CO 0.59 0.07 0.46 0.00 -1.51 0.00 0.00 179.97 179.59 1kvn h ARG 26 N 0.11 0.80 -0.32 0.20 3.08 -2.03 -2.67 114.38 113.55 1kvn h ARG 26 Ca 0.17 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 1kvn h ARG 26 Cb 0.55 -0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.27 1kvn h ARG 26 CO -0.02 0.53 -0.46 1.19 -1.07 0.00 0.00 179.97 180.14 1kvn n PHE 27 N -4.46 1.10 -4.71 3.04 3.72 -0.81 -5.01 117.46 110.32 1kvn n PHE 27 Ca 0.09 -1.78 -0.32 0.00 -0.05 0.00 0.00 57.45 55.40 1kvn n PHE 27 Cb 0.15 -0.37 -0.12 0.00 -0.94 0.00 0.00 39.48 38.19 1kvn n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kvn s ALA 28 N -3.36 2.68 -0.11 4.37 0.00 -0.98 -4.78 121.76 119.57 1kvn s ALA 28 Ca 0.44 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1kvn s ALA 28 Cb 0.39 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1kvn s ALA 28 CO -0.02 0.57 0.14 0.14 0.00 0.00 0.00 175.76 176.59 1kvn s VAL 29 N -0.88 5.45 0.15 0.00 -7.23 -1.08 -4.62 120.40 112.19 1kvn s VAL 29 Ca 0.14 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 1kvn s VAL 29 Cb -0.11 -3.38 -0.08 0.00 0.56 0.00 0.00 36.38 33.38 1kvn s VAL 29 CO 0.04 0.60 1.26 -2.16 -0.31 0.00 0.00 175.10 174.53 1kvn s PRO 30 N -1.08 4.43 0.33 4.82 0.04 -1.26 -0.07 135.00 142.21 1kvn s PRO 30 Ca 0.16 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1kvn s PRO 30 Cb -0.12 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1kvn s PRO 30 CO 0.05 -0.22 0.00 -1.71 0.04 0.00 0.00 177.00 175.15 1kvn n ASN 31 N 3.10 -7.46 -4.74 6.66 2.85 -1.26 -4.77 115.26 109.63 1kvn n ASN 31 Ca 0.07 1.01 -0.38 0.00 -0.11 0.00 0.00 54.58 55.17 1kvn n ASN 31 Cb 0.44 -3.59 0.05 0.00 1.24 0.00 0.00 39.78 37.92 1kvn n ASN 31 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1kvn n VAL 32 N -0.12 4.14 -3.44 3.44 3.14 -1.26 -4.87 118.33 119.35 1kvn n VAL 32 Ca 0.00 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.67 1kvn n VAL 32 Cb 0.00 -1.64 -0.11 0.00 -1.06 0.00 0.00 33.84 31.03 1kvn n VAL 32 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1kvn s LYS 33 N -3.02 0.33 0.39 1.45 2.20 -1.26 -4.99 119.74 114.83 1kvn s LYS 33 Ca 0.74 -0.39 0.10 0.00 -0.36 0.00 0.00 55.97 56.07 1kvn s LYS 33 Cb -0.41 -0.84 0.88 0.00 -1.51 0.00 0.00 37.83 35.95 1kvn s LYS 33 CO 0.47 -1.05 1.93 1.25 -0.36 0.00 0.00 175.35 177.58 1kvn h LEU 34 N 8.12 0.55 -1.22 5.43 5.85 -1.97 -0.15 115.31 131.92 1kvn h LEU 34 Ca -0.12 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.77 1kvn h LEU 34 Cb 1.05 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1kvn h LEU 34 CO 0.35 0.32 0.59 0.45 -0.34 0.00 0.00 178.44 179.81 1kvn h HIS 35 N 0.60 0.88 -0.07 1.25 3.86 -1.98 0.43 115.15 120.13 1kvn h HIS 35 Ca 0.36 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.44 1kvn h HIS 35 Cb 0.57 -0.28 0.01 0.00 1.06 0.00 0.00 27.41 28.78 1kvn h HIS 35 CO -0.00 0.30 -0.57 1.05 0.86 0.00 0.00 177.93 179.57 1kvn h GLU 36 N 0.73 0.51 0.14 2.45 4.11 -1.35 -2.31 114.58 118.87 1kvn h GLU 36 Ca 0.48 -0.45 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1kvn h GLU 36 Cb 0.76 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1kvn h GLU 36 CO -0.24 1.09 -0.07 -0.07 0.07 0.00 0.00 179.01 179.79 1kvn h LEU 37 N 0.09 -0.16 -0.09 3.06 3.38 -1.24 -2.73 115.31 117.62 1kvn h LEU 37 Ca -0.05 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1kvn h LEU 37 Cb 1.23 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1kvn h LEU 37 CO 0.12 0.25 -0.22 0.58 0.09 0.00 0.00 178.44 179.26 1kvn h VAL 38 N -0.61 1.40 -0.23 1.22 2.07 -1.08 -3.27 116.25 115.75 1kvn h VAL 38 Ca -0.02 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1kvn h VAL 38 Cb 0.47 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1kvn h VAL 38 CO 0.03 0.44 0.08 -0.08 0.02 0.00 0.00 177.57 178.06 1kvn h GLU 39 N -0.16 0.32 -0.29 1.57 4.57 -1.54 -2.25 114.58 116.80 1kvn h GLU 39 Ca -0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1kvn h GLU 39 Cb 0.82 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1kvn h GLU 39 CO 0.05 0.28 0.06 0.00 -1.18 0.00 0.00 179.01 178.21 1kvn h ALA 40 N 1.77 0.39 -0.29 2.92 0.00 -1.54 -2.86 119.26 119.65 1kvn h ALA 40 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1kvn h ALA 40 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kvn h ALA 40 CO -0.01 0.07 -0.22 1.03 0.00 0.00 0.00 179.25 180.11 1kvn h SER 41 N 0.31 0.55 -0.75 0.00 0.87 -1.57 -2.65 113.55 110.30 1kvn h SER 41 Ca 0.09 -0.18 0.14 0.00 -1.23 0.00 0.00 61.79 60.61 1kvn h SER 41 Cb 0.32 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 1kvn h SER 41 CO 0.00 0.77 0.50 0.50 -0.53 0.00 0.00 176.83 178.07 1kvn h LYS 42 N 0.49 0.43 -0.93 2.24 3.64 -1.19 1.08 116.57 122.34 1kvn h LYS 42 Ca 0.07 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1kvn h LYS 42 Cb 0.65 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1kvn h LYS 42 CO 0.05 0.29 0.60 0.93 -2.27 0.00 0.00 179.45 179.04 1kvn h GLU 43 N 0.44 1.11 -0.00 1.90 4.39 -1.34 -2.86 114.58 118.22 1kvn h GLU 43 Ca 0.36 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1kvn h GLU 43 Cb 0.79 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1kvn h GLU 43 CO -0.12 0.74 -0.77 -0.11 -1.16 0.00 0.00 179.01 177.59 1kvn n LEU 44 N -4.51 1.00 0.00 1.33 7.94 -0.06 -4.96 117.00 117.73 1kvn n LEU 44 Ca 0.12 -0.54 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 1kvn n LEU 44 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1kvn n LEU 44 CO 0.34 0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 1kvn n GLY 45 N 1.40 0.19 3.17 -3.96 0.00 0.35 -4.85 105.19 101.50 1kvn n GLY 45 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1kvn n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kvn s LEU 46 N 0.00 -0.22 0.00 0.99 1.98 -1.23 -4.99 118.68 115.21 1kvn s LEU 46 Ca 0.00 0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.42 1kvn s LEU 46 Cb 0.00 1.20 0.00 0.00 0.66 0.00 0.00 46.19 48.05 1kvn s LEU 46 CO 0.00 -0.04 0.00 1.17 -1.89 0.00 0.00 176.35 175.59 1kvn n LYS 47 N 5.25 0.00 -4.38 1.98 4.81 -1.26 -5.08 118.16 119.48 1kvn n LYS 47 Ca -0.08 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.17 1kvn n LYS 47 Cb 0.54 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.49 1kvn n LYS 47 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1kvn s PHE 48 N 0.00 1.75 -0.05 5.64 2.19 -1.26 -2.59 117.98 123.67 1kvn s PHE 48 Ca 0.00 -0.97 -0.23 0.00 0.33 0.00 0.00 56.93 56.06 1kvn s PHE 48 Cb 0.00 -1.08 0.05 0.00 -1.31 0.00 0.00 43.02 40.68 1kvn s PHE 48 CO 0.00 -0.05 0.51 0.50 1.83 0.00 0.00 175.22 178.01 1kvn s ARG 49 N -3.90 0.86 -0.06 10.12 6.06 0.13 -4.89 118.95 127.27 1kvn s ARG 49 Ca 0.34 0.11 0.01 0.00 -2.50 0.00 0.00 55.73 53.68 1kvn s ARG 49 Cb 0.07 0.40 0.02 0.00 0.06 0.00 0.00 34.95 35.50 1kvn s ARG 49 CO 0.13 -0.25 -0.07 0.00 -2.50 0.00 0.00 175.30 172.61 1kvn s ALA 50 N -1.13 0.96 -0.02 6.12 0.00 -1.26 0.11 121.76 126.53 1kvn s ALA 50 Ca -0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 1kvn s ALA 50 Cb -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1kvn s ALA 50 CO 0.07 -0.09 0.02 -1.83 0.00 0.00 0.00 175.76 173.93 1kvn s GLU 51 N 1.09 0.05 -0.07 0.00 -1.05 -0.64 -4.99 118.70 113.08 1kvn s GLU 51 Ca -0.08 0.17 -0.05 0.00 -0.15 0.00 0.00 54.97 54.87 1kvn s GLU 51 Cb -0.14 -0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.18 1kvn s GLU 51 CO -0.01 -0.17 0.14 -1.21 0.95 0.00 0.00 175.26 174.97 1kvn s GLU 52 N 1.13 3.39 0.72 -4.83 2.02 -1.26 -3.84 118.70 116.03 1kvn s GLU 52 Ca -0.08 -0.23 -0.13 0.00 0.02 0.00 0.00 54.97 54.54 1kvn s GLU 52 Cb -0.13 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.01 1kvn s GLU 52 CO -0.03 0.73 1.11 0.21 0.02 0.00 0.00 175.26 177.31 1kvn s LYS 53 N -1.39 2.48 -0.23 1.61 2.20 -1.26 -4.52 119.74 118.64 1kvn s LYS 53 Ca 0.20 1.35 -0.06 0.00 -0.36 0.00 0.00 55.97 57.09 1kvn s LYS 53 Cb -0.12 -1.91 0.02 0.00 -1.51 0.00 0.00 37.83 34.31 1kvn s LYS 53 CO 0.10 -1.49 0.13 1.63 -0.36 0.00 0.00 175.35 175.35 1kvn n LYS 54 N -2.91 -3.88 -0.22 4.03 5.02 -1.26 -4.81 118.16 114.14 1kvn n LYS 54 Ca 0.10 3.01 -0.03 0.00 -2.02 0.00 0.00 58.31 59.38 1kvn n LYS 54 Cb 0.52 -4.92 0.03 0.00 -0.02 0.00 0.00 35.03 30.65 1kvn n LYS 54 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1kvn h TYR 55 N 3.69 -0.70 -4.19 2.13 0.05 -2.05 -3.41 116.97 112.49 1kvn h TYR 55 Ca -0.29 0.07 -0.50 0.00 0.05 0.00 0.00 58.73 58.06 1kvn h TYR 55 Cb 0.68 0.40 0.14 0.00 1.01 0.00 0.00 36.73 38.97 1kvn h TYR 55 CO 0.00 -0.35 0.28 -1.25 -1.05 0.00 0.00 178.16 175.79 1kvn s PRO 56 N -6.09 1.70 0.71 4.88 0.04 -1.26 -4.97 135.00 130.01 1kvn s PRO 56 Ca -0.14 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.79 1kvn s PRO 56 Cb 0.18 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.89 1kvn s PRO 56 CO 0.71 -2.00 1.16 1.63 0.04 0.00 0.00 177.00 178.54 1kvn n LYS 57 N -3.75 0.68 -4.30 4.56 5.02 -1.26 -5.03 118.16 114.08 1kvn n LYS 57 Ca 0.08 0.29 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 1kvn n LYS 57 Cb 0.54 -2.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.04 1kvn n LYS 57 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1kvn s SER 58 N -1.65 1.26 0.09 4.39 1.04 -1.26 -5.09 113.70 112.47 1kvn s SER 58 Ca 0.77 -1.31 -0.34 0.00 0.48 0.00 0.00 55.95 55.55 1kvn s SER 58 Cb -0.35 0.14 -0.14 0.00 0.10 0.00 0.00 66.02 65.77 1kvn s SER 58 CO 0.46 -0.67 1.63 0.79 0.98 0.00 0.00 173.24 176.43 1kvn n TRP 59 N -0.40 2.22 -0.98 5.02 7.02 -1.26 -4.68 117.44 124.38 1kvn n TRP 59 Ca -0.02 0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1kvn n TRP 59 Cb 0.65 -2.55 0.00 0.00 -2.42 0.00 0.00 31.31 26.99 1kvn n TRP 59 CO 0.00 0.00 0.00 1.87 -2.02 0.00 0.00 177.69 177.54 1kvn n TRP 60 N 4.09 -0.39 -2.42 -5.99 -0.00 -1.26 -3.16 117.44 108.31 1kvn n TRP 60 Ca 0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.26 1kvn n TRP 60 Cb 0.28 0.04 0.01 0.00 -0.00 0.00 0.00 31.31 31.64 1kvn n TRP 60 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1kvn n GLU 61 N -0.08 3.72 0.24 5.87 2.13 -1.26 -4.72 120.64 126.55 1kvn n GLU 61 Ca 0.00 -3.65 0.16 0.00 0.66 0.00 0.00 57.16 54.33 1kvn n GLU 61 Cb 0.00 -2.88 0.68 0.00 0.27 0.00 0.00 31.44 29.51 1kvn n GLU 61 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1kvn h GLU 62 N 5.72 0.00 0.00 5.31 4.81 -1.85 -3.43 114.58 125.13 1kvn h GLU 62 Ca 0.37 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1kvn h GLU 62 Cb 0.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1kvn h GLU 62 CO 1.59 0.00 -0.01 0.41 -0.73 0.00 0.00 179.01 180.27 1kvn n GLY 63 N -0.12 2.69 0.00 1.92 0.00 -1.26 -4.94 105.19 103.48 1kvn n GLY 63 Ca 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1kvn n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kvn n GLY 64 N 4.70 0.96 3.34 -0.02 0.00 -1.26 -4.96 105.19 107.96 1kvn n GLY 64 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1kvn n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kvn s ARG 65 N 0.00 0.59 0.06 1.61 3.52 -1.25 -3.87 118.95 119.60 1kvn s ARG 65 Ca 0.00 0.46 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 1kvn s ARG 65 Cb 0.00 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1kvn s ARG 65 CO 0.00 -0.10 -0.20 0.14 -0.81 0.00 0.00 175.30 174.33 1kvn s VAL 66 N -0.14 1.58 -0.06 7.11 -7.23 -0.14 -1.62 120.40 119.90 1kvn s VAL 66 Ca -0.03 -1.25 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1kvn s VAL 66 Cb -0.03 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.51 1kvn s VAL 66 CO 0.02 0.10 -0.20 0.68 -0.31 0.00 0.00 175.10 175.40 1kvn s VAL 67 N -0.90 1.65 -0.07 1.32 -7.23 0.29 -0.06 120.40 115.40 1kvn s VAL 67 Ca 0.06 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1kvn s VAL 67 Cb -0.09 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 1kvn s VAL 67 CO 0.02 0.47 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.43 1kvn s VAL 68 N 0.12 2.85 -0.51 1.32 1.01 0.53 0.18 120.40 125.89 1kvn s VAL 68 Ca -0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1kvn s VAL 68 Cb -0.14 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.18 1kvn s VAL 68 CO 0.04 0.57 0.68 -1.61 0.00 0.00 0.00 175.10 174.78 1kvn s GLU 69 N -0.39 3.16 0.00 2.72 2.02 -1.07 0.18 118.70 125.32 1kvn s GLU 69 Ca 0.04 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1kvn s GLU 69 Cb -0.12 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.02 1kvn s GLU 69 CO 0.02 -1.26 0.00 1.63 0.02 0.00 0.00 175.26 175.67 1kvn n LYS 70 N 6.39 0.00 0.00 1.61 5.02 -1.20 -4.70 118.16 125.27 1kvn n LYS 70 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1kvn n LYS 70 Cb 0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1kvn n LYS 70 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1kvn n ARG 71 N -1.81 0.00 0.00 1.97 0.63 -1.25 -4.68 116.66 111.53 1kvn n ARG 71 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1kvn n ARG 71 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1kvn n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kvn n GLY 72 N 0.00 1.43 3.96 5.14 0.00 -1.26 -4.77 105.19 109.69 1kvn n GLY 72 Ca 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1kvn n GLY 72 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kvn s THR 73 N 0.00 3.77 0.00 2.61 -1.32 -1.26 -5.10 115.64 114.34 1kvn s THR 73 Ca 0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1kvn s THR 73 Cb 0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 1kvn s THR 73 CO 0.00 -0.24 0.00 0.29 -2.21 0.00 0.00 174.62 172.46 1kvn n LYS 74 N -2.04 0.00 -0.29 7.08 5.02 -1.26 -4.50 118.16 122.17 1kvn n LYS 74 Ca 0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 1kvn n LYS 74 Cb 0.58 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.66 1kvn n LYS 74 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1kvn h THR 75 N 0.00 1.24 -0.92 -0.18 2.02 -1.99 -2.31 112.91 110.76 1kvn h THR 75 Ca 0.00 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 66.70 1kvn h THR 75 Cb 0.00 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 66.55 1kvn h THR 75 CO 0.00 0.27 0.59 0.50 0.37 0.00 0.00 175.52 177.25 1kvn h LYS 76 N 1.08 0.80 -0.20 6.66 3.64 -1.92 1.13 116.57 127.77 1kvn h LYS 76 Ca 0.27 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1kvn h LYS 76 Cb 0.05 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1kvn h LYS 76 CO -0.04 0.53 0.11 1.25 -2.27 0.00 0.00 179.45 179.03 1kvn h LEU 77 N 0.82 0.18 -0.73 5.20 6.46 -1.65 0.32 115.31 125.92 1kvn h LEU 77 Ca 0.46 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 58.13 1kvn h LEU 77 Cb 0.58 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1kvn h LEU 77 CO -0.22 0.13 0.03 0.24 -0.62 0.00 0.00 178.44 178.01 1kvn h MET 78 N 0.23 1.01 -0.40 1.25 2.86 -0.76 -0.86 114.93 118.26 1kvn h MET 78 Ca 0.08 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1kvn h MET 78 Cb 0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1kvn h MET 78 CO -0.04 0.97 0.14 0.82 1.06 0.00 0.00 176.91 179.86 1kvn h ILE 79 N 0.93 0.88 -0.97 -1.22 1.08 0.22 1.04 117.51 119.47 1kvn h ILE 79 Ca 0.18 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 1kvn h ILE 79 Cb 0.50 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 1kvn h ILE 79 CO 0.02 0.05 0.63 -0.08 -0.69 0.00 0.00 178.15 178.09 1kvn h GLU 80 N 0.30 1.12 -0.47 2.37 4.81 0.17 1.06 114.58 123.94 1kvn h GLU 80 Ca 0.18 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1kvn h GLU 80 Cb 0.17 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1kvn h GLU 80 CO -0.19 0.74 0.12 1.25 -0.73 0.00 0.00 179.01 180.21 1kvn h LEU 81 N 1.16 0.66 -0.95 1.64 5.85 0.75 0.44 115.31 124.86 1kvn h LEU 81 Ca 0.40 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 1kvn h LEU 81 Cb 0.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1kvn h LEU 81 CO -0.15 0.65 -0.39 0.00 -0.34 0.00 0.00 178.44 178.21 1kvn h ALA 82 N 1.44 1.11 -0.35 1.25 0.00 0.54 0.19 119.26 123.44 1kvn h ALA 82 Ca 0.16 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1kvn h ALA 82 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1kvn h ALA 82 CO -0.00 0.58 0.15 -0.09 0.00 0.00 0.00 179.25 179.88 1kvn h ARG 83 N 0.23 0.30 -0.03 0.00 2.43 0.31 1.96 114.38 119.59 1kvn h ARG 83 Ca 0.02 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1kvn h ARG 83 Cb 0.79 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1kvn h ARG 83 CO 0.06 0.20 -0.33 0.87 -1.51 0.00 0.00 179.97 179.26 1kvn h LYS 84 N 0.31 0.28 -0.95 0.20 1.79 -1.18 -3.22 116.57 113.80 1kvn h LYS 84 Ca 0.16 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1kvn h LYS 84 Cb 0.10 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1kvn h LYS 84 CO -0.14 0.94 0.59 0.82 -1.08 0.00 0.00 179.45 180.59 1kvn h ILE 85 N -0.29 1.25 -0.18 1.86 2.04 -0.35 -1.95 117.51 119.89 1kvn h ILE 85 Ca -0.03 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1kvn h ILE 85 Cb 1.04 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1kvn h ILE 85 CO 0.07 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.60 1kvn h ALA 86 N 1.33 1.95 0.32 1.87 0.00 0.31 -1.26 119.26 123.77 1kvn h ALA 86 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1kvn h ALA 86 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1kvn h ALA 86 CO -0.07 0.03 -0.16 0.93 0.00 0.00 0.00 179.25 179.98 1kvn h GLU 87 N 0.18 -0.42 -0.30 0.00 4.39 -1.36 -0.15 114.58 116.91 1kvn h GLU 87 Ca 0.07 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.87 1kvn h GLU 87 Cb 0.07 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 1kvn h GLU 87 CO -0.01 -0.13 -0.27 0.82 -1.16 0.00 0.00 179.01 178.25 1kvn h ILE 88 N -0.69 0.33 -0.60 3.13 1.08 -1.12 1.45 117.51 121.10 1kvn h ILE 88 Ca -0.04 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.47 1kvn h ILE 88 Cb 0.48 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1kvn h ILE 88 CO 0.07 0.00 0.34 -0.09 -0.69 0.00 0.00 178.15 177.78 1kvn h ARG 89 N -0.25 0.63 -0.18 2.37 2.43 -1.39 -0.70 114.38 117.30 1kvn h ARG 89 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1kvn h ARG 89 Cb 0.49 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1kvn h ARG 89 CO -0.44 0.42 0.09 0.93 -1.51 0.00 0.00 179.97 179.45 1kvn h GLU 90 N 0.65 0.24 0.00 0.20 5.08 0.12 -0.58 114.58 120.28 1kvn h GLU 90 Ca 0.26 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1kvn h GLU 90 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1kvn h GLU 90 CO -0.14 0.18 -0.23 1.96 -1.00 0.00 0.00 179.01 179.78 1kvn h GLN 91 N 0.24 0.00 -0.10 2.33 4.20 0.34 -1.97 115.11 120.15 1kvn h GLN 91 Ca 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1kvn h GLN 91 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1kvn h GLN 91 CO -0.01 0.23 -0.13 -0.22 -0.67 0.00 0.00 178.83 178.03 1kvn h LYS 92 N 0.00 0.16 -0.77 1.46 3.64 -0.85 -2.71 116.57 117.50 1kvn h LYS 92 Ca -0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1kvn h LYS 92 Cb 0.42 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1kvn h LYS 92 CO 0.03 0.29 0.47 -0.09 -2.27 0.00 0.00 179.45 177.89 1kvn h ARG 93 N 0.15 1.03 -0.52 1.90 2.43 -1.38 -2.27 114.38 115.71 1kvn h ARG 93 Ca 0.03 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1kvn h ARG 93 Cb 0.33 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1kvn h ARG 93 CO 0.02 0.71 0.35 1.49 -1.51 0.00 0.00 179.97 181.03 1kvn h GLU 94 N 1.05 0.37 -5.07 0.20 4.81 -1.59 -3.38 114.58 110.98 1kvn h GLU 94 Ca 0.28 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.86 1kvn h GLU 94 Cb -0.06 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.08 1kvn h GLU 94 CO -0.05 0.25 -0.40 -0.65 -0.73 0.00 0.00 179.01 177.42 1kvn s GLN 95 N -5.37 4.02 0.00 1.92 -0.21 -0.85 -4.99 119.66 114.17 1kvn s GLN 95 Ca -0.07 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1kvn s GLN 95 Cb 0.19 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1kvn s GLN 95 CO 0.74 -0.15 0.00 1.63 -2.12 0.00 0.00 175.29 175.39 1kvn n LYS 96 N 4.93 0.00 -3.70 2.91 5.02 -1.26 -4.93 118.16 121.14 1kvn n LYS 96 Ca -0.12 0.17 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 1kvn n LYS 96 Cb 0.52 -0.59 -0.17 0.00 -0.02 0.00 0.00 35.03 34.77 1kvn n LYS 96 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1kvn s LYS 97 N -0.59 0.39 -0.72 1.97 2.47 -1.26 -4.81 119.74 117.19 1kvn s LYS 97 Ca 0.00 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.27 1kvn s LYS 97 Cb 0.00 -1.67 0.00 0.00 -1.46 0.00 0.00 37.83 34.70 1kvn s LYS 97 CO 0.00 -0.56 0.00 -3.47 0.16 0.00 0.00 175.35 171.48 1kvn n ASP 98 N 5.16 -2.68 -2.52 1.43 2.03 -1.26 -3.37 116.55 115.35 1kvn n ASP 98 Ca -0.07 0.28 -0.17 0.00 0.52 0.00 0.00 54.79 55.35 1kvn n ASP 98 Cb 0.49 -2.41 0.02 0.00 -0.72 0.00 0.00 41.12 38.49 1kvn n ASP 98 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1kvn n LYS 99 N -2.41 -0.86 -2.85 -0.67 2.85 -1.26 -4.86 118.16 108.10 1kvn n LYS 99 Ca -0.09 0.77 -0.41 0.00 -1.05 0.00 0.00 58.31 57.53 1kvn n LYS 99 Cb 0.50 -1.06 -0.04 0.00 -0.65 0.00 0.00 35.03 33.78 1kvn n LYS 99 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1kvn s LYS 100 N -1.26 4.51 0.03 -1.58 -0.14 -1.22 -5.05 119.74 115.04 1kvn s LYS 100 Ca 0.16 1.20 0.02 0.00 -1.36 0.00 0.00 55.97 55.99 1kvn s LYS 100 Cb -0.02 -3.45 -0.02 0.00 -1.68 0.00 0.00 37.83 32.67 1kvn s LYS 100 CO 0.36 0.01 -0.07 -1.59 -0.76 0.00 0.00 175.35 173.30 1kvn s LYS 101 N 0.89 0.51 0.01 1.68 -2.85 -1.26 -5.09 119.74 113.63 1kvn s LYS 101 Ca 0.46 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 54.57 1kvn s LYS 101 Cb -0.20 -0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.16 1kvn s LYS 101 CO 0.24 0.08 1.15 0.21 0.10 0.00 0.00 175.35 177.13 1kvn s LYS 102 N -1.04 4.43 0.11 1.78 2.20 -1.26 -5.01 119.74 120.95 1kvn s LYS 102 Ca -0.05 1.67 -0.19 0.00 -0.36 0.00 0.00 55.97 57.04 1kvn s LYS 102 Cb -0.07 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.75 1kvn s LYS 102 CO 0.00 -0.27 0.60 0.15 -0.36 0.00 0.00 175.35 175.47 1kvn s LYS 103 N 1.39 4.20 0.00 4.03 1.02 -1.26 -5.36 119.74 123.76 1kvn s LYS 103 Ca 0.56 0.75 0.00 0.00 0.02 0.00 0.00 55.97 57.30 1kvn s LYS 103 Cb -0.26 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1kvn s LYS 103 CO 0.27 0.59 0.00 1.63 -0.92 0.00 0.00 175.35 176.91