#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khv s ILE 17 N 0.00 4.87 0.00 1.39 -1.09 0.35 -3.98 121.20 122.74 3khv s ILE 17 Ca 0.00 1.67 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 3khv s ILE 17 Cb 0.00 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3khv s ILE 17 CO 0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 3khv n GLY 18 N 3.43 0.08 7.00 6.18 0.00 -1.26 -1.82 105.19 118.80 3khv n GLY 18 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3khv n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khv n GLY 19 N 0.00 1.17 3.61 -0.02 0.00 -1.26 -4.86 105.19 103.83 3khv n GLY 19 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3khv n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3khv s GLU 20 N 0.00 1.50 0.48 1.61 -1.05 -0.42 -4.99 118.70 115.83 3khv s GLU 20 Ca 0.00 -0.77 -0.12 0.00 -0.15 0.00 0.00 54.97 53.93 3khv s GLU 20 Cb 0.00 0.58 -0.06 0.00 -0.44 0.00 0.00 34.13 34.21 3khv s GLU 20 CO 0.00 -0.66 0.88 -0.06 0.95 0.00 0.00 175.26 176.37 3khv s PHE 21 N -3.85 3.50 0.37 4.83 0.40 -1.26 -0.92 117.98 121.04 3khv s PHE 21 Ca 0.07 1.20 -0.11 0.00 -0.60 0.00 0.00 56.93 57.48 3khv s PHE 21 Cb -0.03 -2.58 0.04 0.00 0.51 0.00 0.00 43.02 40.95 3khv s PHE 21 CO -0.03 -0.30 0.68 -0.08 0.70 0.00 0.00 175.22 176.19 3khv s THR 22 N -2.62 0.00 0.48 0.64 -1.32 -0.65 -4.83 115.64 107.34 3khv s THR 22 Ca 0.54 -1.21 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 3khv s THR 22 Cb -0.10 -2.76 -0.03 0.00 -1.51 0.00 0.00 72.50 68.10 3khv s THR 22 CO 0.36 0.00 0.01 0.42 -2.21 0.00 0.00 174.62 173.20 3khv s THR 23 N -2.64 1.41 0.35 5.08 -4.23 -1.26 -4.05 115.64 110.30 3khv s THR 23 Ca 0.20 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.01 3khv s THR 23 Cb -0.04 -2.41 0.31 0.00 1.34 0.00 0.00 72.50 71.70 3khv s THR 23 CO 0.14 0.00 2.05 -0.29 -0.54 0.00 0.00 174.62 175.98 3khv h ILE 24 N 1.47 0.44 -0.63 2.99 6.09 -1.88 -2.83 117.51 123.16 3khv h ILE 24 Ca -0.44 -0.58 0.12 0.00 -1.37 0.00 0.00 64.86 62.59 3khv h ILE 24 Cb 1.29 1.41 -0.04 0.00 0.47 0.00 0.00 36.82 39.95 3khv h ILE 24 CO 0.76 0.11 0.43 -0.33 -3.07 0.00 0.00 178.15 176.05 3khv h GLU 25 N 0.00 0.33 -0.02 2.19 3.07 -1.86 0.31 114.58 118.61 3khv h GLU 25 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3khv h GLU 25 Cb 0.40 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3khv h GLU 25 CO 0.01 0.22 0.00 0.09 -1.40 0.00 0.00 179.01 177.93 3khv n ASN 26 N -4.46 1.28 -2.79 1.42 3.02 -1.07 -4.12 115.26 108.53 3khv n ASN 26 Ca 0.11 -1.43 -0.10 0.00 -0.03 0.00 0.00 54.58 53.13 3khv n ASN 26 Cb 0.46 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.70 3khv n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khv n GLN 27 N 0.00 1.08 0.11 3.52 1.13 0.32 -4.99 117.38 118.55 3khv n GLN 27 Ca 0.20 -2.33 0.06 0.00 -1.94 0.00 0.00 57.00 52.99 3khv n GLN 27 Cb 0.32 -0.87 0.32 0.00 0.11 0.00 0.00 30.24 30.11 3khv n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3khv n PRO 28 N -0.01 0.08 0.00 -1.09 -0.04 0.84 -1.31 135.00 133.47 3khv n PRO 28 Ca 0.07 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 3khv n PRO 28 Cb 0.76 -1.88 0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3khv n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3khv n TRP 29 N -1.90 0.00 -2.54 0.54 2.14 -1.12 -0.33 117.44 114.22 3khv n TRP 29 Ca -0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 3khv n TRP 29 Cb 0.15 -0.05 -0.04 0.00 -0.81 0.00 0.00 31.31 30.56 3khv n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 3khv s PHE 30 N -2.76 3.61 0.02 -2.67 2.19 -0.42 0.30 117.98 118.25 3khv s PHE 30 Ca 0.14 1.60 0.05 0.00 0.33 0.00 0.00 56.93 59.05 3khv s PHE 30 Cb 0.17 -3.25 -0.03 0.00 -1.31 0.00 0.00 43.02 38.60 3khv s PHE 30 CO 0.70 -0.54 -0.11 0.00 1.83 0.00 0.00 175.22 177.10 3khv s ALA 31 N 0.00 2.85 -0.32 11.12 0.00 0.15 -4.31 121.76 131.25 3khv s ALA 31 Ca 0.50 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 3khv s ALA 31 Cb -0.28 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3khv s ALA 31 CO 0.33 0.60 0.14 0.00 0.00 0.00 0.00 175.76 176.83 3khv s ALA 32 N -0.96 3.21 -0.18 0.00 0.00 -0.84 -0.69 121.76 122.29 3khv s ALA 32 Ca 0.16 -1.48 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 3khv s ALA 32 Cb -0.11 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3khv s ALA 32 CO 0.07 -1.02 0.12 0.42 0.00 0.00 0.00 175.76 175.35 3khv s ILE 33 N 1.56 5.31 0.28 0.00 1.01 -0.22 -1.22 121.20 127.93 3khv s ILE 33 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.87 3khv s ILE 33 Cb -0.18 -3.40 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 3khv s ILE 33 CO 0.05 0.48 0.02 -0.31 0.00 0.00 0.00 174.94 175.17 3khv s TYR 34 N 0.10 1.82 0.25 3.97 2.02 0.34 -0.07 117.35 125.78 3khv s TYR 34 Ca 0.08 -0.90 0.10 0.00 -0.37 0.00 0.00 57.07 55.98 3khv s TYR 34 Cb -0.11 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3khv s TYR 34 CO -0.01 0.04 -0.16 0.50 -1.57 0.00 0.00 175.55 174.36 3khv s ARG 35 N -3.85 1.53 -1.15 -0.62 3.52 -0.46 -1.15 118.95 116.76 3khv s ARG 35 Ca 0.33 -1.71 -0.16 0.00 -0.13 0.00 0.00 55.73 54.06 3khv s ARG 35 Cb 0.07 -1.43 0.15 0.00 -1.56 0.00 0.00 34.95 32.17 3khv s ARG 35 CO 0.13 0.23 1.40 1.03 -0.81 0.00 0.00 175.30 177.28 3khv s ARG 36 N -3.59 3.96 -0.61 5.12 3.00 0.45 -3.39 118.95 123.88 3khv s ARG 36 Ca 0.27 -2.30 0.03 0.00 0.00 0.00 0.00 55.73 53.73 3khv s ARG 36 Cb -0.02 -5.09 0.38 0.00 0.00 0.00 0.00 34.95 30.22 3khv s ARG 36 CO 0.11 -1.83 1.35 0.45 0.00 0.00 0.00 175.30 175.38 3khv n SER 37 N 6.24 5.53 -0.38 0.23 2.88 -1.26 -4.94 113.62 121.92 3khv n SER 37 Ca 0.35 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 3khv n SER 37 Cb 0.45 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 3khv n SER 37 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3khv n VAL 38 N -0.41 -0.90 0.00 2.46 0.31 -1.22 -5.17 118.33 113.40 3khv n VAL 38 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 3khv n VAL 38 Cb 0.48 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 3khv n VAL 38 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3khv n THR 39 N 1.65 0.00 -2.35 2.52 -2.24 -1.24 -4.95 114.28 107.66 3khv n THR 39 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3khv n THR 39 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3khv n THR 39 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3khv s TYR 40 N -1.24 2.92 -0.10 4.78 5.04 -1.26 -1.35 117.35 126.14 3khv s TYR 40 Ca 0.00 0.98 -0.10 0.00 -2.44 0.00 0.00 57.07 55.50 3khv s TYR 40 Cb 0.00 -3.55 -0.03 0.00 0.35 0.00 0.00 41.96 38.73 3khv s TYR 40 CO 0.00 -1.92 -0.20 0.28 -1.34 0.00 0.00 175.55 172.37 3khv n VAL 41 N 4.88 0.93 -3.53 3.14 0.31 0.90 -4.90 118.33 120.06 3khv n VAL 41 Ca 0.13 0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 64.62 3khv n VAL 41 Cb 0.45 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 3khv n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khv s GLY 43 N -2.79 1.65 0.28 0.00 0.00 -0.13 -1.06 107.32 105.28 3khv s GLY 43 Ca 0.03 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 3khv s GLY 43 CO -0.09 -0.39 0.67 -0.32 0.00 0.00 0.00 173.10 172.97 3khv s GLY 44 N -4.55 0.10 -0.06 0.20 0.00 0.13 -3.49 107.32 99.65 3khv s GLY 44 Ca 0.61 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3khv s GLY 44 CO 0.46 -0.23 -0.12 -0.56 0.00 0.00 0.00 173.10 172.65 3khv s SER 45 N -2.95 1.70 -0.56 1.64 0.01 0.08 0.31 113.70 113.92 3khv s SER 45 Ca 0.14 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 56.86 3khv s SER 45 Cb -0.05 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.50 3khv s SER 45 CO 0.08 0.05 1.06 -0.22 0.41 0.00 0.00 173.24 174.62 3khv s LEU 46 N 0.54 3.78 0.00 2.44 2.96 0.15 0.53 118.68 129.08 3khv s LEU 46 Ca -0.12 -0.08 0.23 0.00 -0.22 0.00 0.00 54.13 53.94 3khv s LEU 46 Cb -0.14 -3.03 0.20 0.00 0.50 0.00 0.00 46.19 43.71 3khv s LEU 46 CO 0.03 -1.33 1.20 2.30 -1.32 0.00 0.00 176.35 177.22 3khv n ILE 47 N 6.45 0.00 -3.59 6.68 -5.35 -0.90 -1.30 119.36 121.35 3khv n ILE 47 Ca 0.05 -0.01 -0.06 0.00 -0.27 0.00 0.00 62.75 62.47 3khv n ILE 47 Cb 0.48 0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 3khv n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3khv s SER 48 N -2.98 -0.26 0.38 7.28 1.04 -1.11 -4.67 113.70 113.38 3khv s SER 48 Ca 0.10 -0.12 0.20 0.00 0.48 0.00 0.00 55.95 56.61 3khv s SER 48 Cb 0.17 0.36 1.21 0.00 0.10 0.00 0.00 66.02 67.87 3khv s SER 48 CO 0.76 -0.62 1.66 -0.65 0.98 0.00 0.00 173.24 175.37 3khv h PRO 49 N 2.00 0.23 -0.09 4.02 0.11 -1.94 -1.61 132.00 134.71 3khv h PRO 49 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3khv h PRO 49 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3khv h PRO 49 CO 0.28 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.22 3khv s TRP 51 N -0.75 1.58 -0.12 0.00 0.52 -0.61 -0.86 118.94 118.70 3khv s TRP 51 Ca 0.09 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.64 3khv s TRP 51 Cb 0.05 -1.14 -0.00 0.00 -1.15 0.00 0.00 33.47 31.23 3khv s TRP 51 CO 0.07 -0.28 -0.19 0.08 0.02 0.00 0.00 176.95 176.65 3khv s VAL 52 N 0.60 2.46 -0.04 4.03 1.01 -0.26 -2.12 120.40 126.08 3khv s VAL 52 Ca -0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 3khv s VAL 52 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3khv s VAL 52 CO 0.04 0.54 0.11 -0.51 0.00 0.00 0.00 175.10 175.28 3khv s ILE 53 N 0.48 4.98 0.00 2.22 2.07 0.19 -0.80 121.20 130.34 3khv s ILE 53 Ca -0.13 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 3khv s ILE 53 Cb -0.17 -3.25 0.00 0.00 0.13 0.00 0.00 42.46 39.17 3khv s ILE 53 CO 0.05 0.42 0.00 -0.24 -1.91 0.00 0.00 174.94 173.26 3khv n SER 54 N 1.38 0.00 -4.43 4.50 2.88 0.11 -0.74 113.62 117.31 3khv n SER 54 Ca -0.14 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.07 3khv n SER 54 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 3khv n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3khv s ALA 55 N -1.42 2.65 0.36 -1.46 0.00 -1.26 -0.72 121.76 119.90 3khv s ALA 55 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.07 3khv s ALA 55 Cb 0.00 -1.07 0.69 0.00 0.00 0.00 0.00 23.12 22.74 3khv s ALA 55 CO 0.00 0.43 1.93 1.15 0.00 0.00 0.00 175.76 179.27 3khv h THR 56 N 4.77 1.17 0.00 0.00 2.02 -1.75 -2.31 112.91 116.81 3khv h THR 56 Ca -0.38 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3khv h THR 56 Cb 1.18 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3khv h THR 56 CO 0.52 0.22 0.00 1.12 0.37 0.00 0.00 175.52 177.75 3khv h HIS 57 N 0.49 0.00 0.00 3.16 2.07 -1.93 -0.70 115.15 118.24 3khv h HIS 57 Ca 0.11 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.61 3khv h HIS 57 Cb 0.23 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.20 3khv h HIS 57 CO 0.01 0.00 -0.13 0.00 -3.07 0.00 0.00 177.93 174.74 3khv n PHE 59 N -3.21 0.00 -0.02 0.00 3.72 -0.35 -4.83 117.46 112.78 3khv n PHE 59 Ca 0.01 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.62 3khv n PHE 59 Cb 0.44 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.67 3khv n PHE 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3khv h ILE 60 N 0.15 0.72 0.00 4.37 6.09 -1.47 -1.77 117.51 125.60 3khv h ILE 60 Ca 0.00 -0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.43 3khv h ILE 60 Cb 0.07 0.71 -0.01 0.00 0.47 0.00 0.00 36.82 38.07 3khv h ILE 60 CO 0.00 0.00 -0.65 0.44 -3.07 0.00 0.00 178.15 174.87 3khv h ASP 60 N 0.00 0.00 -2.29 2.19 3.32 -1.88 -3.38 116.42 114.38 3khv h ASP 60 Ca 0.27 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.73 3khv h ASP 60 Cb 1.07 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.23 3khv h ASP 60 CO -0.00 0.23 -0.91 -1.22 -1.72 0.00 0.00 179.24 175.61 3khv n TYR 60 N -2.98 0.57 0.25 4.55 4.02 -0.69 -4.99 117.16 117.89 3khv n TYR 60 Ca -0.00 -3.67 0.15 0.00 -0.01 0.00 0.00 57.90 54.36 3khv n TYR 60 Cb 0.64 -0.22 0.75 0.00 -0.02 0.00 0.00 39.34 40.49 3khv n TYR 60 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3khv h PRO 60 N 4.75 0.00 -6.39 -0.72 0.11 -1.68 -3.44 132.00 124.63 3khv h PRO 60 Ca 0.17 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.71 3khv h PRO 60 Cb 0.84 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 3khv h PRO 60 CO 0.53 0.00 1.16 0.21 -0.21 0.00 0.00 178.00 179.69 3khv s LYS 61 N -3.68 3.39 0.06 1.05 2.20 -1.26 -4.87 119.74 116.63 3khv s LYS 61 Ca -0.02 1.01 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 3khv s LYS 61 Cb 0.09 -4.12 0.16 0.00 -1.51 0.00 0.00 37.83 32.44 3khv s LYS 61 CO 0.30 -1.80 0.97 0.36 -0.36 0.00 0.00 175.35 174.83 3khv n LYS 62 N 8.35 0.02 0.03 4.03 2.85 -1.26 -2.10 118.16 130.08 3khv n LYS 62 Ca 0.18 0.41 0.13 0.00 -1.05 0.00 0.00 58.31 57.99 3khv n LYS 62 Cb 0.48 -1.71 0.51 0.00 -0.65 0.00 0.00 35.03 33.66 3khv n LYS 62 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3khv n GLU 62 N -1.51 0.09 -1.00 -1.58 -0.58 -1.26 -3.61 120.64 111.19 3khv n GLU 62 Ca -0.00 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 3khv n GLU 62 Cb 0.15 -1.59 0.24 0.00 -0.57 0.00 0.00 31.44 29.67 3khv n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3khv n ASP 63 N -1.74 3.94 -4.18 1.62 8.00 -0.89 -4.90 116.55 118.41 3khv n ASP 63 Ca 0.06 -3.44 -0.22 0.00 0.71 0.00 0.00 54.79 51.90 3khv n ASP 63 Cb 0.37 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 3khv n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3khv s TYR 64 N -3.13 1.45 -0.04 1.24 1.51 -1.24 0.17 117.35 117.30 3khv s TYR 64 Ca 0.53 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.27 3khv s TYR 64 Cb 0.44 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 41.42 3khv s TYR 64 CO 0.10 0.05 -0.14 0.42 -1.11 0.00 0.00 175.55 174.87 3khv s ILE 65 N -0.77 1.20 -0.12 2.71 1.01 -0.30 -4.15 121.20 120.78 3khv s ILE 65 Ca 0.04 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3khv s ILE 65 Cb -0.08 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.35 3khv s ILE 65 CO 0.01 0.36 -0.16 -0.69 0.00 0.00 0.00 174.94 174.45 3khv s VAL 66 N 0.22 1.64 0.10 2.92 1.01 -0.84 -0.51 120.40 124.94 3khv s VAL 66 Ca -0.06 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3khv s VAL 66 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3khv s VAL 66 CO 0.02 0.47 0.05 -0.31 0.00 0.00 0.00 175.10 175.33 3khv s TYR 67 N 1.06 3.09 0.05 5.22 2.02 -0.35 -0.47 117.35 127.96 3khv s TYR 67 Ca -0.04 0.01 0.05 0.00 -0.37 0.00 0.00 57.07 56.72 3khv s TYR 67 Cb -0.15 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3khv s TYR 67 CO -0.04 0.51 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.79 3khv s LEU 68 N -2.49 2.20 -0.93 -1.29 1.43 -0.29 -2.00 118.68 115.32 3khv s LEU 68 Ca 0.28 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3khv s LEU 68 Cb -0.12 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.47 3khv s LEU 68 CO 0.21 0.02 0.45 0.61 0.23 0.00 0.00 176.35 177.86 3khv n GLY 69 N 1.71 -0.03 3.23 -3.19 0.00 -1.19 -1.26 105.19 104.46 3khv n GLY 69 Ca -0.19 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3khv n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khv s ARG 70 N -5.35 3.13 0.00 1.61 3.52 -1.26 -3.73 118.95 116.87 3khv s ARG 70 Ca 0.22 -0.80 0.11 0.00 -0.13 0.00 0.00 55.73 55.13 3khv s ARG 70 Cb -0.10 -2.51 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 3khv s ARG 70 CO 0.27 0.04 0.58 0.43 -0.81 0.00 0.00 175.30 175.81 3khv n SER 71 N 3.97 0.97 -4.31 -2.12 7.64 -1.26 -4.71 113.62 113.79 3khv n SER 71 Ca -0.19 -0.98 -0.28 0.00 1.01 0.00 0.00 58.87 58.42 3khv n SER 71 Cb 0.52 0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 64.26 3khv n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3khv s ARG 72 N -1.69 1.66 0.01 1.43 0.52 -1.26 -1.16 118.95 118.46 3khv s ARG 72 Ca 0.07 -1.04 -0.25 0.00 -0.52 0.00 0.00 55.73 53.99 3khv s ARG 72 Cb 0.09 -1.80 -0.18 0.00 0.52 0.00 0.00 34.95 33.57 3khv s ARG 72 CO 0.35 0.47 1.40 1.25 0.02 0.00 0.00 175.30 178.79 3khv h LEU 73 N 4.85 -0.04 -2.99 2.53 7.12 -0.91 -3.35 115.31 122.51 3khv h LEU 73 Ca -0.45 -0.31 -0.01 0.00 0.13 0.00 0.00 57.88 57.25 3khv h LEU 73 Cb 1.15 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 3khv h LEU 73 CO 0.44 0.29 -0.42 0.59 -0.13 0.00 0.00 178.44 179.20 3khv n ASN 74 N -4.96 1.79 -4.33 1.25 3.02 -1.26 -4.99 115.26 105.78 3khv n ASN 74 Ca -0.08 -3.65 -0.17 0.00 -0.03 0.00 0.00 54.58 50.65 3khv n ASN 74 Cb 0.19 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 3khv n ASN 74 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3khv s SER 75 N -3.10 1.94 -1.01 6.41 0.01 -1.26 -5.10 113.70 111.59 3khv s SER 75 Ca 0.36 -1.18 -0.06 0.00 1.31 0.00 0.00 55.95 56.39 3khv s SER 75 Cb 0.35 -0.02 0.25 0.00 0.21 0.00 0.00 66.02 66.81 3khv s SER 75 CO -0.05 -0.46 0.96 0.20 0.41 0.00 0.00 173.24 174.30 3khv s ASN 76 N -3.30 6.71 -0.39 2.44 0.01 -1.26 -4.68 114.94 114.47 3khv s ASN 76 Ca 0.26 -3.65 -0.43 0.00 -0.71 0.00 0.00 52.86 48.34 3khv s ASN 76 Cb 0.05 -2.07 -0.17 0.00 0.41 0.00 0.00 41.25 39.46 3khv s ASN 76 CO 0.08 -0.24 1.74 0.41 -1.51 0.00 0.00 177.10 177.57 3khv n THR 77 N 2.54 0.16 -1.89 1.60 -1.04 -1.26 -4.82 114.28 109.57 3khv n THR 77 Ca 0.23 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.78 3khv n THR 77 Cb 0.38 -0.91 -0.02 0.00 -1.82 0.00 0.00 70.33 67.97 3khv n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3khv s GLN 78 N 3.65 4.19 0.00 -2.82 -2.07 -1.26 -1.62 119.66 119.73 3khv s GLN 78 Ca 1.03 2.44 0.00 0.00 -1.82 0.00 0.00 55.36 57.01 3khv s GLN 78 Cb -1.26 -3.07 0.00 0.00 -1.09 0.00 0.00 33.01 27.59 3khv s GLN 78 CO 0.72 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 3khv n GLY 79 N 2.27 3.21 3.66 2.60 0.00 -1.26 -5.04 105.19 110.63 3khv n GLY 79 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3khv n GLY 79 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3khv n GLU 80 N -1.49 0.07 -4.75 1.61 0.28 -0.64 -4.91 120.64 110.80 3khv n GLU 80 Ca 0.00 0.10 -0.24 0.00 -0.16 0.00 0.00 57.16 56.86 3khv n GLU 80 Cb 0.00 -2.36 -0.16 0.00 1.43 0.00 0.00 31.44 30.35 3khv n GLU 80 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 3khv s MET 81 N -4.09 1.46 -0.17 3.44 -1.94 -0.39 -4.95 119.30 112.67 3khv s MET 81 Ca 0.71 -0.56 -0.06 0.00 -1.71 0.00 0.00 55.69 54.07 3khv s MET 81 Cb -0.28 -1.34 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 3khv s MET 81 CO 0.53 0.28 0.03 0.21 -0.01 0.00 0.00 175.02 176.06 3khv s LYS 82 N -0.15 3.82 0.12 2.03 2.20 -1.26 -1.14 119.74 125.36 3khv s LYS 82 Ca 0.01 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 3khv s LYS 82 Cb -0.09 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3khv s LYS 82 CO 0.01 0.31 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.10 3khv s PHE 83 N 0.23 1.45 0.43 4.03 0.08 0.37 -4.63 117.98 119.95 3khv s PHE 83 Ca 0.02 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3khv s PHE 83 Cb -0.13 -0.76 -0.00 0.00 -0.57 0.00 0.00 43.02 41.56 3khv s PHE 83 CO 0.01 0.16 0.64 -1.21 -0.10 0.00 0.00 175.22 174.72 3khv s GLU 84 N -2.59 3.03 -0.76 0.44 0.41 0.04 -1.99 118.70 117.27 3khv s GLU 84 Ca 0.09 -0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 53.89 3khv s GLU 84 Cb -0.06 -2.61 0.20 0.00 -1.78 0.00 0.00 34.13 29.89 3khv s GLU 84 CO 0.03 -0.24 0.68 0.08 -0.49 0.00 0.00 175.26 175.33 3khv s VAL 85 N -2.49 5.24 0.46 2.63 1.01 -1.26 -2.61 120.40 123.38 3khv s VAL 85 Ca 0.48 -2.46 0.17 0.00 0.00 0.00 0.00 61.98 60.18 3khv s VAL 85 Cb -0.10 -4.27 0.35 0.00 0.00 0.00 0.00 36.38 32.36 3khv s VAL 85 CO 0.36 -0.98 1.98 -0.08 0.00 0.00 0.00 175.10 176.38 3khv h GLU 86 N 7.76 0.27 -2.98 2.72 4.81 -1.11 -3.42 114.58 122.63 3khv h GLU 86 Ca 0.05 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 3khv h GLU 86 Cb 1.03 -0.06 -0.26 0.00 0.63 0.00 0.00 28.75 30.09 3khv h GLU 86 CO 0.77 0.18 -0.38 -0.80 -0.73 0.00 0.00 179.01 178.05 3khv s ASN 87 N -6.23 -0.32 -0.44 1.04 0.02 -1.13 -4.95 114.94 102.92 3khv s ASN 87 Ca -0.07 0.62 0.04 0.00 -1.02 0.00 0.00 52.86 52.43 3khv s ASN 87 Cb 0.20 0.59 0.12 0.00 0.02 0.00 0.00 41.25 42.17 3khv s ASN 87 CO 0.74 -0.12 0.17 -0.22 0.02 0.00 0.00 177.10 177.69 3khv s LEU 88 N 0.48 4.52 -0.37 0.60 2.96 -1.26 -1.58 118.68 124.03 3khv s LEU 88 Ca -0.03 -2.64 -0.15 0.00 -0.22 0.00 0.00 54.13 51.09 3khv s LEU 88 Cb -0.04 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 3khv s LEU 88 CO -0.02 -0.30 0.35 -0.63 -1.32 0.00 0.00 176.35 174.43 3khv s ILE 89 N 0.23 5.18 0.08 6.68 1.01 0.52 -4.99 121.20 129.91 3khv s ILE 89 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3khv s ILE 89 Cb -0.23 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3khv s ILE 89 CO -0.04 -0.18 0.10 -0.76 0.00 0.00 0.00 174.94 174.06 3khv s LEU 90 N 1.96 3.87 0.05 2.97 1.43 -1.26 -0.32 118.68 127.38 3khv s LEU 90 Ca 0.10 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.92 3khv s LEU 90 Cb -0.17 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 3khv s LEU 90 CO 0.12 0.17 1.27 -2.28 0.23 0.00 0.00 176.35 175.85 3khv s HIS 91 N -1.42 3.28 -0.23 0.29 5.65 -1.15 -4.90 115.29 116.80 3khv s HIS 91 Ca 0.30 1.15 0.27 0.00 0.25 0.00 0.00 55.06 57.03 3khv s HIS 91 Cb -0.12 -3.51 1.19 0.00 -1.18 0.00 0.00 32.58 28.95 3khv s HIS 91 CO 0.23 -1.68 1.81 0.87 -0.65 0.00 0.00 174.74 175.32 3khv h LYS 92 N 7.05 0.00 -0.60 2.88 1.57 -1.93 -2.92 116.57 122.61 3khv h LYS 92 Ca -0.40 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.14 3khv h LYS 92 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.37 3khv h LYS 92 CO 0.84 0.00 0.21 -0.25 -0.57 0.00 0.00 179.45 179.68 3khv n ASP 93 N -2.51 3.74 -4.79 0.86 8.00 -1.26 -5.00 116.55 115.58 3khv n ASP 93 Ca 0.01 -3.44 -0.33 0.00 0.71 0.00 0.00 54.79 51.74 3khv n ASP 93 Cb 0.22 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.63 3khv n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3khv s TYR 94 N -3.11 2.89 -0.26 1.24 5.04 -1.11 -4.56 117.35 117.48 3khv s TYR 94 Ca 0.50 1.53 -0.12 0.00 -2.44 0.00 0.00 57.07 56.54 3khv s TYR 94 Cb 0.42 -3.07 0.09 0.00 0.35 0.00 0.00 41.96 39.76 3khv s TYR 94 CO 0.08 -1.24 0.60 -1.54 -1.34 0.00 0.00 175.55 172.11 3khv s SER 95 N -2.60 -0.84 0.33 4.32 1.04 -1.01 -4.97 113.70 109.97 3khv s SER 95 Ca 0.65 1.36 -0.28 0.00 0.48 0.00 0.00 55.95 58.16 3khv s SER 95 Cb -0.18 1.47 -0.10 0.00 0.10 0.00 0.00 66.02 67.32 3khv s SER 95 CO 0.36 -0.23 1.25 0.00 0.98 0.00 0.00 173.24 175.60 3khv s ALA 96 N 1.97 3.43 0.00 5.32 0.00 -1.26 -0.76 121.76 130.45 3khv s ALA 96 Ca -0.08 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3khv s ALA 96 Cb -0.08 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3khv s ALA 96 CO -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.05 3khv n ALA 98 N 0.77 -0.68 -3.35 0.00 0.00 -1.26 -4.74 120.51 111.26 3khv n ALA 98 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 3khv n ALA 98 Cb 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.71 3khv n ALA 98 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3khv s HIS 99 N 0.00 2.53 -0.05 0.00 0.09 -1.26 -5.12 115.29 111.47 3khv s HIS 99 Ca 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 55.06 53.90 3khv s HIS 99 Cb 0.00 -1.70 -0.04 0.00 -0.00 0.00 0.00 32.58 30.84 3khv s HIS 99 CO 0.00 -0.46 0.19 -1.01 -0.00 0.00 0.00 174.74 173.46 3khv s HIS 100 N 0.48 3.58 -1.58 1.40 3.76 0.06 -4.35 115.29 118.65 3khv s HIS 100 Ca -0.16 0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 55.11 3khv s HIS 100 Cb -0.17 -1.93 0.11 0.00 1.11 0.00 0.00 32.58 31.70 3khv s HIS 100 CO 0.06 0.68 0.86 0.09 -0.85 0.00 0.00 174.74 175.58 3khv n ASN 101 N 1.44 -3.78 -4.37 1.40 3.02 -1.26 -2.41 115.26 109.30 3khv n ASN 101 Ca -0.15 -0.89 -0.40 0.00 -0.03 0.00 0.00 54.58 53.11 3khv n ASN 101 Cb 0.54 -3.40 -0.01 0.00 -0.61 0.00 0.00 39.78 36.29 3khv n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3khv n ASP 102 N -2.79 4.27 -3.77 6.41 2.03 -1.26 -4.51 116.55 116.93 3khv n ASP 102 Ca 0.02 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.35 3khv n ASP 102 Cb 0.53 -1.69 -0.12 0.00 -0.72 0.00 0.00 41.12 39.12 3khv n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3khv s ILE 103 N 5.33 -0.01 0.03 5.18 2.07 -1.26 -4.31 121.20 128.23 3khv s ILE 103 Ca 0.56 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 3khv s ILE 103 Cb 0.06 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.26 3khv s ILE 103 CO 0.06 0.01 0.06 0.00 -1.91 0.00 0.00 174.94 173.16 3khv s ALA 104 N 0.40 -0.00 -0.05 1.50 0.00 0.10 -2.94 121.76 120.76 3khv s ALA 104 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.42 3khv s ALA 104 Cb -0.04 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3khv s ALA 104 CO -0.02 -0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 174.77 3khv s LEU 105 N -1.93 1.95 -0.13 0.00 1.43 0.56 0.04 118.68 120.60 3khv s LEU 105 Ca -0.08 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3khv s LEU 105 Cb -0.03 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3khv s LEU 105 CO -0.03 0.17 -0.15 -0.76 0.23 0.00 0.00 176.35 175.81 3khv s LEU 106 N 0.06 1.71 -0.17 1.79 1.02 0.02 -0.35 118.68 122.75 3khv s LEU 106 Ca -0.06 -0.46 -0.20 0.00 0.02 0.00 0.00 54.13 53.44 3khv s LEU 106 Cb -0.13 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 44.91 3khv s LEU 106 CO 0.03 -0.02 0.57 -0.75 0.02 0.00 0.00 176.35 176.20 3khv s LYS 107 N 1.23 4.26 0.09 1.70 2.20 -0.62 -1.11 119.74 127.50 3khv s LYS 107 Ca -0.01 0.55 0.03 0.00 -0.36 0.00 0.00 55.97 56.18 3khv s LYS 107 Cb -0.14 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3khv s LYS 107 CO -0.06 -0.09 0.10 0.96 -0.36 0.00 0.00 175.35 175.90 3khv s ILE 108 N 1.41 4.60 -0.28 5.43 -4.36 -0.04 -0.52 121.20 127.44 3khv s ILE 108 Ca 0.28 -0.79 -0.22 0.00 -0.26 0.00 0.00 60.65 59.66 3khv s ILE 108 Cb -0.16 -3.25 0.10 0.00 1.25 0.00 0.00 42.46 40.41 3khv s ILE 108 CO 0.11 0.08 0.88 0.00 0.24 0.00 0.00 174.94 176.25 3khv s ARG 109 N -2.54 0.61 0.49 0.37 1.70 -1.07 -4.67 118.95 113.83 3khv s ARG 109 Ca 0.30 0.83 -0.05 0.00 -0.47 0.00 0.00 55.73 56.34 3khv s ARG 109 Cb -0.12 0.24 0.11 0.00 -0.57 0.00 0.00 34.95 34.61 3khv s ARG 109 CO 0.23 -0.09 0.67 -1.13 -1.08 0.00 0.00 175.30 173.90 3khv n SER 110 N 3.01 0.36 0.20 -2.89 3.41 -0.60 -0.78 113.62 116.34 3khv n SER 110 Ca -0.15 -1.43 0.07 0.00 -0.26 0.00 0.00 58.87 57.09 3khv n SER 110 Cb 0.57 -0.48 0.40 0.00 -0.26 0.00 0.00 64.21 64.43 3khv n SER 110 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3khv h LYS 110 N 0.00 0.00 -0.62 4.33 1.57 -1.90 -2.06 116.57 117.89 3khv h LYS 110 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3khv h LYS 110 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3khv h LYS 110 CO 0.18 0.33 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 3khv n GLU 110 N -3.60 2.99 -1.85 3.15 4.71 -1.26 -4.87 120.64 119.91 3khv n GLU 110 Ca -0.01 -1.98 -0.01 0.00 -0.01 0.00 0.00 57.16 55.15 3khv n GLU 110 Cb 0.46 -1.74 -0.00 0.00 -1.01 0.00 0.00 31.44 29.14 3khv n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3khv n GLY 110 N 0.81 0.35 3.57 0.62 0.00 -0.77 -5.06 105.19 104.70 3khv n GLY 110 Ca 0.18 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3khv n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khv s ARG 110 N -3.73 1.94 0.00 1.61 0.52 -1.25 -4.66 118.95 113.38 3khv s ARG 110 Ca 0.00 -1.78 0.00 0.00 -0.52 0.00 0.00 55.73 53.43 3khv s ARG 110 Cb 0.00 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.62 3khv s ARG 110 CO 0.00 0.20 0.00 0.00 0.02 0.00 0.00 175.30 175.52 3khv s ALA 112 N -2.66 3.39 -0.39 0.00 0.00 -0.17 -4.83 121.76 117.10 3khv s ALA 112 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 3khv s ALA 112 Cb 0.00 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3khv s ALA 112 CO 0.00 0.13 0.26 -0.65 0.00 0.00 0.00 175.76 175.50 3khv s GLN 113 N -0.37 3.02 0.53 0.00 -0.21 -1.26 -4.81 119.66 116.56 3khv s GLN 113 Ca 0.38 -0.97 -0.20 0.00 0.02 0.00 0.00 55.36 54.59 3khv s GLN 113 Cb -0.21 -3.87 -0.08 0.00 1.00 0.00 0.00 33.01 29.85 3khv s GLN 113 CO 0.24 -0.68 0.89 -2.30 -2.12 0.00 0.00 175.29 171.32 3khv n PRO 114 N 5.10 0.98 -0.70 2.91 -0.02 -1.26 -4.90 135.00 137.10 3khv n PRO 114 Ca -0.12 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3khv n PRO 114 Cb 0.47 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3khv n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3khv n SER 115 N -0.03 0.00 0.17 2.55 3.41 0.39 -4.98 113.62 115.13 3khv n SER 115 Ca 0.12 -0.53 0.02 0.00 -0.26 0.00 0.00 58.87 58.21 3khv n SER 115 Cb 0.44 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.70 3khv n SER 115 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3khv h ARG 116 N 0.00 0.00 -0.44 4.33 2.43 -2.00 -3.05 114.38 115.65 3khv h ARG 116 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3khv h ARG 116 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3khv h ARG 116 CO 0.00 0.45 0.00 0.25 -1.51 0.00 0.00 179.97 179.16 3khv n THR 117 N -3.90 1.24 -3.55 0.20 -2.24 -1.26 -4.64 114.28 100.14 3khv n THR 117 Ca -0.01 -1.12 -0.14 0.00 -2.27 0.00 0.00 64.05 60.50 3khv n THR 117 Cb 0.49 0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 3khv n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3khv s ILE 118 N -1.30 -0.43 0.17 2.28 1.01 -1.15 -3.16 121.20 118.62 3khv s ILE 118 Ca 0.33 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 3khv s ILE 118 Cb 0.19 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 42.06 3khv s ILE 118 CO 0.19 -0.04 0.34 -1.10 0.00 0.00 0.00 174.94 174.34 3khv s GLN 119 N 2.42 1.20 0.30 2.79 -1.52 0.55 -0.46 119.66 124.94 3khv s GLN 119 Ca 0.05 -1.08 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 3khv s GLN 119 Cb -0.14 0.41 -0.04 0.00 -0.22 0.00 0.00 33.01 33.03 3khv s GLN 119 CO -0.11 -0.46 0.50 0.95 -0.25 0.00 0.00 175.29 175.92 3khv s THR 120 N -3.94 5.13 -0.07 -0.19 -4.23 -1.26 -2.80 115.64 108.28 3khv s THR 120 Ca 0.14 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 3khv s THR 120 Cb 0.02 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 3khv s THR 120 CO -0.01 -0.44 -0.18 -0.51 -0.54 0.00 0.00 174.62 172.94 3khv s ILE 121 N -2.17 2.67 0.41 2.99 1.10 -0.42 -4.88 121.20 120.90 3khv s ILE 121 Ca 0.40 -0.84 -0.23 0.00 -0.51 0.00 0.00 60.65 59.47 3khv s ILE 121 Cb -0.10 -2.04 -0.10 0.00 0.15 0.00 0.00 42.46 40.37 3khv s ILE 121 CO 0.33 0.56 0.98 0.00 -2.11 0.00 0.00 174.94 174.71 3khv s ALA 122 N -0.21 3.06 0.62 1.50 0.00 -1.26 -4.48 121.76 120.99 3khv s ALA 122 Ca -0.01 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 3khv s ALA 122 Cb -0.13 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3khv s ALA 122 CO 0.03 -0.00 0.95 -0.51 0.00 0.00 0.00 175.76 176.23 3khv s LEU 123 N -2.85 3.16 1.00 0.00 1.43 -1.26 -1.26 118.68 118.91 3khv s LEU 123 Ca 0.59 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 54.38 3khv s LEU 123 Cb -0.15 -3.68 0.21 0.00 0.03 0.00 0.00 46.19 42.60 3khv s LEU 123 CO 0.20 -1.11 1.28 -2.84 0.23 0.00 0.00 176.35 174.11 3khv s PRO 124 N -5.08 0.31 -0.03 1.29 0.02 -1.26 -4.78 135.00 125.47 3khv s PRO 124 Ca 0.55 -0.33 -0.05 0.00 0.02 0.00 0.00 61.00 61.18 3khv s PRO 124 Cb -0.11 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 3khv s PRO 124 CO 0.47 -2.65 0.20 -1.12 -0.33 0.00 0.00 177.00 173.57 3khv s SER 125 N -4.70 6.41 -0.06 2.53 0.01 -1.26 -4.94 113.70 111.70 3khv s SER 125 Ca 0.73 0.44 -0.33 0.00 1.31 0.00 0.00 55.95 58.10 3khv s SER 125 Cb -0.05 -2.05 -0.16 0.00 0.21 0.00 0.00 66.02 63.97 3khv s SER 125 CO 0.53 0.30 0.93 0.23 0.41 0.00 0.00 173.24 175.65 3khv n MET 126 N 1.27 0.00 -4.08 12.44 2.81 -1.26 -1.74 117.12 126.56 3khv n MET 126 Ca -0.13 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.42 3khv n MET 126 Cb 0.53 -1.22 -0.03 0.00 -0.71 0.00 0.00 33.22 31.80 3khv n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3khv n TYR 127 N 1.52 -1.48 -3.51 2.03 4.02 0.67 -4.95 117.16 115.45 3khv n TYR 127 Ca 0.18 0.48 -0.23 0.00 -0.01 0.00 0.00 57.90 58.32 3khv n TYR 127 Cb 0.05 -3.13 -0.14 0.00 -0.02 0.00 0.00 39.34 36.10 3khv n TYR 127 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3khv s ASN 128 N -4.05 2.43 0.14 7.72 2.47 -0.71 -5.10 114.94 117.84 3khv s ASN 128 Ca 0.19 -0.81 0.10 0.00 0.42 0.00 0.00 52.86 52.76 3khv s ASN 128 Cb -0.09 0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.69 3khv s ASN 128 CO 0.95 -0.39 -0.23 -1.81 -3.72 0.00 0.00 177.10 171.90 3khv s ASP 129 N 2.21 2.97 1.01 -4.21 1.01 -1.26 -4.47 116.67 113.93 3khv s ASP 129 Ca 0.07 -0.77 -0.15 0.00 0.71 0.00 0.00 52.55 52.41 3khv s ASP 129 Cb -0.15 -0.19 0.06 0.00 1.01 0.00 0.00 42.92 43.65 3khv s ASP 129 CO -0.25 0.09 0.26 -2.65 0.21 0.00 0.00 175.17 172.83 3khv n PRO 130 N 0.73 -0.76 -1.33 8.23 -0.02 -1.26 -4.91 135.00 135.67 3khv n PRO 130 Ca -0.17 -0.19 -0.32 0.00 -2.02 0.00 0.00 63.50 60.81 3khv n PRO 130 Cb 0.54 -1.80 0.09 0.00 -0.02 0.00 0.00 33.50 32.32 3khv n PRO 130 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3khv s GLN 131 N -3.56 2.22 0.19 -0.52 0.74 -1.26 -4.95 119.66 112.52 3khv s GLN 131 Ca 0.56 1.33 -0.30 0.00 0.05 0.00 0.00 55.36 57.00 3khv s GLN 131 Cb -0.18 -1.88 -0.08 0.00 1.10 0.00 0.00 33.01 31.97 3khv s GLN 131 CO 0.67 -1.69 1.22 -0.06 -0.55 0.00 0.00 175.29 174.88 3khv s PHE 132 N -2.65 3.39 0.00 1.67 2.99 -1.26 -2.70 117.98 119.42 3khv s PHE 132 Ca 0.64 1.39 0.00 0.00 0.00 0.00 0.00 56.93 58.96 3khv s PHE 132 Cb -0.20 -3.46 0.00 0.00 0.00 0.00 0.00 43.02 39.36 3khv s PHE 132 CO 0.52 -1.33 0.00 0.41 -0.00 0.00 0.00 175.22 174.81 3khv n GLY 133 N 2.18 0.47 3.80 4.36 0.00 0.33 -4.95 105.19 111.38 3khv n GLY 133 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3khv n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khv s THR 134 N -2.06 3.74 -0.08 2.61 2.01 -1.10 -4.64 115.64 116.13 3khv s THR 134 Ca 0.00 1.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.90 3khv s THR 134 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3khv s THR 134 CO 0.00 -0.24 0.49 -0.44 -0.69 0.00 0.00 174.62 173.74 3khv s SER 135 N -1.99 6.76 0.30 3.53 0.01 -1.26 -1.67 113.70 119.38 3khv s SER 135 Ca 0.68 0.90 0.03 0.00 1.31 0.00 0.00 55.95 58.87 3khv s SER 135 Cb -0.17 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3khv s SER 135 CO 0.21 0.06 0.16 0.00 0.41 0.00 0.00 173.24 174.07 3khv s GLU 137 N -3.82 2.08 -0.02 0.00 2.02 0.78 -2.29 118.70 117.45 3khv s GLU 137 Ca 0.36 -1.50 -0.00 0.00 0.02 0.00 0.00 54.97 53.85 3khv s GLU 137 Cb 0.05 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.26 3khv s GLU 137 CO 0.17 0.36 0.04 0.96 0.02 0.00 0.00 175.26 176.82 3khv s ILE 138 N -2.29 -0.05 0.13 -1.63 -4.36 -1.02 -0.98 121.20 110.99 3khv s ILE 138 Ca 0.30 0.19 0.11 0.00 -0.26 0.00 0.00 60.65 60.99 3khv s ILE 138 Cb -0.06 -0.09 -0.04 0.00 1.25 0.00 0.00 42.46 43.52 3khv s ILE 138 CO 0.18 0.08 -0.26 -0.89 0.24 0.00 0.00 174.94 174.28 3khv s THR 139 N 0.97 2.21 0.00 8.37 2.01 -1.23 -2.08 115.64 125.89 3khv s THR 139 Ca -0.08 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.19 3khv s THR 139 Cb -0.11 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.44 3khv s THR 139 CO -0.03 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 3khv n GLY 140 N 0.95 1.23 1.48 4.40 0.00 -0.14 -4.41 105.19 108.70 3khv n GLY 140 Ca -0.18 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.03 3khv n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3khv n PHE 141 N -0.42 1.55 -0.70 1.61 3.72 -1.26 -1.56 117.46 120.40 3khv n PHE 141 Ca 0.00 -0.74 -0.28 0.00 -0.05 0.00 0.00 57.45 56.38 3khv n PHE 141 Cb 0.00 -0.38 0.24 0.00 -0.94 0.00 0.00 39.48 38.40 3khv n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3khv s GLY 142 N -1.17 1.54 0.61 1.37 0.00 -1.26 -3.82 107.32 104.60 3khv s GLY 142 Ca 0.49 -0.22 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 3khv s GLY 142 CO 0.16 0.49 1.06 0.28 0.00 0.00 0.00 173.10 175.08 3khv n LYS 143 N -4.77 0.98 0.03 2.90 5.02 -0.09 -2.25 118.16 119.97 3khv n LYS 143 Ca 0.03 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 3khv n LYS 143 Cb 0.55 -2.27 0.02 0.00 -0.02 0.00 0.00 35.03 33.31 3khv n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3khv n GLU 144 N -1.24 0.29 -3.72 1.97 1.02 -1.26 -0.85 120.64 116.85 3khv n GLU 144 Ca 0.14 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 3khv n GLU 144 Cb 0.47 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 3khv n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3khv s GLN 145 N -3.20 0.37 0.30 3.49 -0.21 -1.26 -4.10 119.66 115.05 3khv s GLN 145 Ca 0.04 0.64 0.06 0.00 0.02 0.00 0.00 55.36 56.12 3khv s GLN 145 Cb 0.14 0.04 0.80 0.00 1.00 0.00 0.00 33.01 34.99 3khv s GLN 145 CO 0.80 -0.12 1.70 0.77 -2.12 0.00 0.00 175.29 176.32 3khv h SER 146 N 6.60 0.43 1.23 5.90 0.02 -1.91 0.23 113.55 126.05 3khv h SER 146 Ca -0.34 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3khv h SER 146 Cb 1.18 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3khv h SER 146 CO 0.30 0.01 -0.19 0.35 -1.14 0.00 0.00 176.83 176.16 3khv n THR 147 N -5.01 0.46 -1.42 -2.27 -2.24 -1.26 -4.89 114.28 97.64 3khv n THR 147 Ca 0.24 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 3khv n THR 147 Cb 0.71 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.59 3khv n THR 147 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3khv n ASP 148 N -2.13 0.08 -0.09 3.42 8.00 0.81 -4.93 116.55 121.72 3khv n ASP 148 Ca 0.05 0.69 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 3khv n ASP 148 Cb 0.42 -1.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.08 3khv n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khv n TYR 149 N -2.21 0.00 -2.20 1.24 4.19 -1.26 -4.98 117.16 111.94 3khv n TYR 149 Ca 0.13 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 61.08 3khv n TYR 149 Cb 0.49 -0.72 0.07 0.00 0.49 0.00 0.00 39.34 39.67 3khv n TYR 149 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3khv s LEU 150 N -5.78 2.82 0.12 2.98 1.43 -1.26 -5.10 118.68 113.89 3khv s LEU 150 Ca -0.20 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3khv s LEU 150 Cb 0.06 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 3khv s LEU 150 CO 0.48 -1.59 -0.04 -0.31 0.23 0.00 0.00 176.35 175.12 3khv s TYR 151 N -3.25 2.84 0.46 0.29 1.51 -1.26 -4.71 117.35 113.22 3khv s TYR 151 Ca 0.60 -0.12 -0.24 0.00 -1.01 0.00 0.00 57.07 56.30 3khv s TYR 151 Cb -0.11 -1.44 -0.07 0.00 -0.11 0.00 0.00 41.96 40.23 3khv s TYR 151 CO 0.45 0.47 1.31 -1.25 -1.11 0.00 0.00 175.55 175.42 3khv s PRO 152 N -2.47 3.66 0.08 -1.71 0.04 -1.25 -4.92 135.00 128.43 3khv s PRO 152 Ca 0.24 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.48 3khv s PRO 152 Cb -0.11 -2.54 -0.23 0.00 0.04 0.00 0.00 34.50 31.66 3khv s PRO 152 CO 0.16 -0.75 1.14 1.49 0.04 0.00 0.00 177.00 179.08 3khv h GLU 153 N 2.17 0.08 -5.92 4.56 4.57 -1.96 -3.43 114.58 114.65 3khv h GLU 153 Ca -0.50 -0.14 -0.62 0.00 -1.18 0.00 0.00 59.36 56.92 3khv h GLU 153 Cb 1.26 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.86 3khv h GLU 153 CO 0.60 1.00 -0.43 -1.14 -1.18 0.00 0.00 179.01 177.87 3khv s GLN 154 N -2.68 3.52 0.54 1.92 2.00 -1.26 -0.29 119.66 123.41 3khv s GLN 154 Ca -0.02 -0.22 -0.21 0.00 -2.00 0.00 0.00 55.36 52.91 3khv s GLN 154 Cb 0.09 -3.04 -0.05 0.00 0.80 0.00 0.00 33.01 30.81 3khv s GLN 154 CO 0.84 0.62 1.24 -1.17 -0.50 0.00 0.00 175.29 176.32 3khv s LEU 155 N -2.13 3.81 0.11 3.68 2.96 -0.31 -4.88 118.68 121.93 3khv s LEU 155 Ca 0.31 2.48 0.05 0.00 -0.22 0.00 0.00 54.13 56.76 3khv s LEU 155 Cb -0.13 -4.41 -0.04 0.00 0.50 0.00 0.00 46.19 42.12 3khv s LEU 155 CO 0.21 -1.41 -0.12 -0.54 -1.32 0.00 0.00 176.35 173.17 3khv s LYS 156 N -3.03 0.94 -0.03 1.98 1.02 -0.60 -1.64 119.74 118.37 3khv s LYS 156 Ca 0.72 -1.20 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 3khv s LYS 156 Cb -0.33 -0.72 0.04 0.00 -0.52 0.00 0.00 37.83 36.30 3khv s LYS 156 CO 0.38 0.13 0.45 0.00 -0.92 0.00 0.00 175.35 175.38 3khv s MET 157 N -2.75 0.80 0.12 1.68 0.23 -0.10 -0.97 119.30 118.31 3khv s MET 157 Ca 0.07 0.01 0.01 0.00 -1.03 0.00 0.00 55.69 54.75 3khv s MET 157 Cb -0.04 0.36 -0.00 0.00 -1.53 0.00 0.00 34.83 33.63 3khv s MET 157 CO 0.02 -0.23 0.14 -2.37 -2.03 0.00 0.00 175.02 170.55 3khv n THR 158 N 1.23 0.00 -5.19 3.16 5.66 -0.88 -1.30 114.28 116.96 3khv n THR 158 Ca -0.20 -0.69 -0.30 0.00 -3.05 0.00 0.00 64.05 59.81 3khv n THR 158 Cb 0.56 0.39 -0.16 0.00 -1.55 0.00 0.00 70.33 69.57 3khv n THR 158 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3khv s VAL 159 N -2.52 2.00 0.05 1.08 1.01 -1.26 -2.43 120.40 118.33 3khv s VAL 159 Ca 0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 3khv s VAL 159 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3khv s VAL 159 CO 0.08 0.52 0.06 0.68 0.00 0.00 0.00 175.10 176.44 3khv s VAL 160 N -0.63 0.17 -0.07 2.92 -7.23 -0.97 -4.73 120.40 109.85 3khv s VAL 160 Ca 0.10 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3khv s VAL 160 Cb -0.10 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 3khv s VAL 160 CO -0.00 -0.77 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.41 3khv s LYS 161 N -3.35 2.81 0.19 4.82 1.02 0.21 -1.53 119.74 123.92 3khv s LYS 161 Ca 0.01 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.15 3khv s LYS 161 Cb 0.03 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.62 3khv s LYS 161 CO -0.08 0.64 1.60 -0.51 -0.92 0.00 0.00 175.35 176.08 3khv s LEU 162 N -0.73 4.37 0.04 3.17 1.02 -0.67 -1.08 118.68 124.80 3khv s LEU 162 Ca 0.11 2.72 0.05 0.00 0.02 0.00 0.00 54.13 57.02 3khv s LEU 162 Cb -0.11 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 3khv s LEU 162 CO 0.02 -0.86 -0.08 -0.63 0.02 0.00 0.00 176.35 174.82 3khv s ILE 163 N 0.96 3.55 0.61 -0.59 1.01 -0.92 0.12 121.20 125.94 3khv s ILE 163 Ca 0.70 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 3khv s ILE 163 Cb -0.46 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3khv s ILE 163 CO 0.34 0.29 1.10 -0.94 0.00 0.00 0.00 174.94 175.74 3khv s SER 164 N -1.70 5.44 0.14 3.58 1.04 -1.26 -4.42 113.70 116.51 3khv s SER 164 Ca 0.19 2.02 -0.17 0.00 0.48 0.00 0.00 55.95 58.47 3khv s SER 164 Cb -0.11 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 3khv s SER 164 CO 0.10 -1.41 1.76 -0.74 0.98 0.00 0.00 173.24 173.93 3khv h HIS 165 N 0.49 0.46 -0.56 5.02 2.76 -1.98 -0.44 115.15 120.90 3khv h HIS 165 Ca -0.48 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 57.79 3khv h HIS 165 Cb 1.25 -0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.97 3khv h HIS 165 CO 0.54 0.34 0.11 -0.09 -1.30 0.00 0.00 177.93 177.54 3khv h ARG 166 N 0.45 0.24 -0.13 5.26 2.43 -1.97 0.58 114.38 121.23 3khv h ARG 166 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3khv h ARG 166 Cb 0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3khv h ARG 166 CO -0.02 0.16 0.03 1.49 -1.51 0.00 0.00 179.97 180.12 3khv h GLU 167 N 0.25 0.21 0.00 0.20 4.81 -1.80 -2.95 114.58 115.29 3khv h GLU 167 Ca 0.29 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3khv h GLU 167 Cb 0.42 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3khv h GLU 167 CO -0.38 0.37 -0.07 0.00 -0.73 0.00 0.00 179.01 178.21 3khv h GLN 169 N 0.00 0.00 -7.25 0.00 4.15 0.32 -2.65 115.11 109.68 3khv h GLN 169 Ca -0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 3khv h GLN 169 Cb 0.67 0.00 0.20 0.00 0.21 0.00 0.00 27.48 28.56 3khv h GLN 169 CO 0.01 0.00 0.18 -0.65 -1.93 0.00 0.00 178.83 176.44 3khv s GLN 170 N -3.32 0.63 0.05 1.69 -0.21 -1.10 -2.73 119.66 114.67 3khv s GLN 170 Ca 0.06 1.38 0.11 0.00 0.02 0.00 0.00 55.36 56.93 3khv s GLN 170 Cb 0.09 -1.69 -0.19 0.00 1.00 0.00 0.00 33.01 32.22 3khv s GLN 170 CO 0.52 -2.84 0.97 -1.35 -2.12 0.00 0.00 175.29 170.47 3khv h PRO 170 N -2.02 0.00 -0.12 2.91 0.11 -1.88 1.47 132.00 132.48 3khv h PRO 170 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3khv h PRO 170 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3khv h PRO 170 CO 0.44 0.67 -0.51 1.12 -0.21 0.00 0.00 178.00 179.50 3khv h HIS 170 N 0.00 0.40 0.00 0.65 2.07 -1.94 -3.40 115.15 112.93 3khv h HIS 170 Ca -0.15 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 3khv h HIS 170 Cb 1.83 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.73 3khv h HIS 170 CO 0.00 0.77 0.00 0.66 -3.07 0.00 0.00 177.93 176.29 3khv n TYR 171 N -3.95 0.00 0.49 6.12 4.02 -1.22 -4.91 117.16 117.71 3khv n TYR 171 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.93 3khv n TYR 171 Cb 0.56 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.92 3khv n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3khv n TYR 172 N 0.00 0.00 0.00 -0.72 4.01 -1.00 -4.91 117.16 114.54 3khv n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3khv n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3khv n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3khv n GLY 173 N 0.74 3.95 0.11 2.72 0.00 0.50 -1.67 105.19 111.53 3khv n GLY 173 Ca 0.06 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3khv n GLY 173 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3khv h SER 174 N 0.00 0.00 -0.94 1.61 0.02 -1.85 -3.35 113.55 109.04 3khv h SER 174 Ca 0.00 -0.10 0.27 0.00 -0.84 0.00 0.00 61.79 61.13 3khv h SER 174 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3khv h SER 174 CO 0.00 0.05 0.72 -0.33 -1.14 0.00 0.00 176.83 176.12 3khv h GLU 175 N 0.00 0.00 -5.55 3.45 5.08 -1.68 -3.39 114.58 112.48 3khv h GLU 175 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 3khv h GLU 175 Cb 0.83 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.00 3khv h GLU 175 CO 0.00 0.00 -0.49 0.14 -1.00 0.00 0.00 179.01 177.66 3khv s VAL 176 N -4.89 5.45 0.51 3.13 -7.23 -1.26 -4.86 120.40 111.25 3khv s VAL 176 Ca -0.05 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.33 3khv s VAL 176 Cb 0.21 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 3khv s VAL 176 CO 0.74 0.57 0.03 0.42 -0.31 0.00 0.00 175.10 176.55 3khv s THR 177 N -0.67 1.23 0.15 5.32 -4.23 -1.26 -4.92 115.64 111.26 3khv s THR 177 Ca 0.13 -1.97 0.34 0.00 -1.18 0.00 0.00 61.69 59.01 3khv s THR 177 Cb -0.12 -2.20 0.36 0.00 1.34 0.00 0.00 72.50 71.89 3khv s THR 177 CO 0.02 0.00 2.02 0.71 -0.54 0.00 0.00 174.62 176.84 3khv h THR 178 N 1.33 0.00 -0.23 3.99 1.35 -1.99 -0.63 112.91 116.73 3khv h THR 178 Ca -0.44 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3khv h THR 178 Cb 1.31 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3khv h THR 178 CO 0.73 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.29 3khv n LYS 179 N -2.83 1.54 -4.32 4.72 5.02 -1.26 -4.84 118.16 116.19 3khv n LYS 179 Ca -0.01 -0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 55.26 3khv n LYS 179 Cb 0.18 -1.19 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 3khv n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3khv s MET 180 N -1.69 1.24 0.00 1.97 -1.94 -0.24 -2.28 119.30 116.35 3khv s MET 180 Ca 0.16 -1.47 0.04 0.00 -1.71 0.00 0.00 55.69 52.72 3khv s MET 180 Cb 0.08 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.82 3khv s MET 180 CO 0.11 0.20 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.68 3khv s LEU 181 N -2.97 2.06 0.19 -0.03 1.43 0.58 -4.74 118.68 115.20 3khv s LEU 181 Ca 0.18 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3khv s LEU 181 Cb -0.03 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 3khv s LEU 181 CO 0.06 0.13 0.02 0.00 0.23 0.00 0.00 176.35 176.79 3khv s ALA 183 N -1.85 -1.39 0.08 0.00 0.00 -0.44 -2.17 121.76 116.00 3khv s ALA 183 Ca 0.29 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 3khv s ALA 183 Cb -0.09 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.92 3khv s ALA 183 CO 0.20 -0.31 1.09 0.00 0.00 0.00 0.00 175.76 176.74 3khv s ALA 184 N -0.88 -1.89 0.55 0.00 0.00 -0.24 -1.49 121.76 117.80 3khv s ALA 184 Ca -0.09 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.13 3khv s ALA 184 Cb -0.03 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 3khv s ALA 184 CO 0.06 -1.05 0.92 0.34 0.00 0.00 0.00 175.76 176.03 3khv s ASP 185 N -2.96 6.29 0.33 0.00 2.15 -1.26 0.66 116.67 121.88 3khv s ASP 185 Ca 0.13 1.23 0.26 0.00 0.43 0.00 0.00 52.55 54.60 3khv s ASP 185 Cb 0.01 -2.38 0.80 0.00 -0.30 0.00 0.00 42.92 41.05 3khv s ASP 185 CO -0.00 -0.71 1.75 1.55 -0.17 0.00 0.00 175.17 177.59 3khv h PRO 185 N 0.08 0.00 -0.02 4.34 0.13 -1.97 -3.24 132.00 131.32 3khv h PRO 185 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3khv h PRO 185 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3khv h PRO 185 CO 0.62 0.00 -0.38 1.04 -0.23 0.00 0.00 178.00 179.05 3khv n GLN 185 N -2.59 1.46 -1.55 0.86 1.13 -1.26 -4.98 117.38 110.45 3khv n GLN 185 Ca 0.04 -1.03 -0.19 0.00 -1.94 0.00 0.00 57.00 53.87 3khv n GLN 185 Cb 0.40 -1.41 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 3khv n GLN 185 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3khv n TRP 186 N 0.10 -0.06 0.64 1.08 7.02 -1.23 -4.86 117.44 120.13 3khv n TRP 186 Ca 0.09 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.69 3khv n TRP 186 Cb 0.44 -3.29 0.21 0.00 -2.42 0.00 0.00 31.31 26.25 3khv n TRP 186 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 3khv n LYS 187 N -2.18 0.25 -4.19 -0.99 2.85 -1.26 -4.32 118.16 108.31 3khv n LYS 187 Ca -0.19 0.08 -0.16 0.00 -1.05 0.00 0.00 58.31 57.00 3khv n LYS 187 Cb 0.64 -1.66 -0.11 0.00 -0.65 0.00 0.00 35.03 33.24 3khv n LYS 187 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3khv s THR 188 N -3.14 1.04 0.00 0.58 -1.32 -1.26 -4.44 115.64 107.10 3khv s THR 188 Ca 0.07 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 3khv s THR 188 Cb 0.14 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 3khv s THR 188 CO 0.71 -0.49 0.00 -0.67 -2.21 0.00 0.00 174.62 171.95 3khv n ASP 189 N 0.63 0.00 -4.92 8.08 2.03 -0.76 -4.36 116.55 117.25 3khv n ASP 189 Ca -0.16 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.89 3khv n ASP 189 Cb 0.57 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.98 3khv n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3khv s SER 190 N 0.00 5.91 0.01 1.67 1.04 -1.26 -0.49 113.70 120.58 3khv s SER 190 Ca 0.00 0.67 -0.00 0.00 0.48 0.00 0.00 55.95 57.10 3khv s SER 190 Cb 0.00 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.26 3khv s SER 190 CO 0.00 -0.77 0.02 0.00 0.98 0.00 0.00 173.24 173.47 3khv n GLN 192 N -0.02 1.48 0.00 0.00 7.27 -1.26 -1.37 117.38 123.48 3khv n GLN 192 Ca -0.00 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.60 3khv n GLN 192 Cb 0.02 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 30.56 3khv n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3khv n GLY 193 N 2.25 2.96 0.00 1.69 0.00 -1.26 -0.91 105.19 109.91 3khv n GLY 193 Ca 0.15 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3khv n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3khv n ASP 194 N 0.11 0.00 -4.56 1.61 8.00 -0.47 -4.06 116.55 117.18 3khv n ASP 194 Ca 0.00 0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.17 3khv n ASP 194 Cb 0.00 -0.31 0.07 0.00 -0.02 0.00 0.00 41.12 40.85 3khv n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3khv n SER 195 N -1.31 -0.05 0.00 -2.24 7.64 -1.26 -1.95 113.62 114.45 3khv n SER 195 Ca 0.10 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.68 3khv n SER 195 Cb 0.19 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3khv n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khv n GLY 196 N 1.39 3.00 3.72 0.23 0.00 -0.34 -0.95 105.19 112.25 3khv n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3khv n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3khv s GLY 197 N -1.34 1.63 0.10 -0.02 0.00 -0.82 -3.58 107.32 103.29 3khv s GLY 197 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 3khv s GLY 197 CO 0.00 0.48 0.91 2.56 0.00 0.00 0.00 173.10 177.06 3khv s PRO 198 N -4.91 4.65 -0.46 2.90 0.04 -1.26 -0.32 135.00 135.64 3khv s PRO 198 Ca 0.63 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 3khv s PRO 198 Cb -0.18 -3.37 0.12 0.00 0.04 0.00 0.00 34.50 31.11 3khv s PRO 198 CO 0.57 0.24 0.31 -1.17 0.04 0.00 0.00 177.00 176.99 3khv s LEU 199 N -0.04 5.57 -0.15 -3.56 2.96 0.29 -3.48 118.68 120.27 3khv s LEU 199 Ca 0.45 -1.99 -0.11 0.00 -0.22 0.00 0.00 54.13 52.25 3khv s LEU 199 Cb -0.23 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3khv s LEU 199 CO 0.28 -0.64 0.22 -0.69 -1.32 0.00 0.00 176.35 174.20 3khv s VAL 200 N 1.23 5.35 0.05 1.68 1.01 -0.16 -1.16 120.40 128.41 3khv s VAL 200 Ca 0.07 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.48 3khv s VAL 200 Cb -0.25 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3khv s VAL 200 CO -0.02 0.47 -0.12 0.00 0.00 0.00 0.00 175.10 175.44 3khv s SER 202 N -1.45 6.55 -0.14 0.00 0.15 -1.26 -0.06 113.70 117.49 3khv s SER 202 Ca -0.03 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.10 3khv s SER 202 Cb -0.09 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 3khv s SER 202 CO 0.01 -0.56 -0.17 -0.76 1.20 0.00 0.00 173.24 172.97 3khv s LEU 203 N 2.78 1.82 -1.52 3.45 1.43 -0.87 -4.67 118.68 121.11 3khv s LEU 203 Ca 0.28 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3khv s LEU 203 Cb -0.14 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.86 3khv s LEU 203 CO 0.13 0.00 0.56 0.00 0.23 0.00 0.00 176.35 177.27 3khv n GLN 204 N 4.42 -4.55 -3.19 1.70 6.02 -1.26 -1.74 117.38 118.79 3khv n GLN 204 Ca -0.19 0.84 -0.15 0.00 -0.01 0.00 0.00 57.00 57.50 3khv n GLN 204 Cb 0.51 -5.68 0.05 0.00 1.02 0.00 0.00 30.24 26.14 3khv n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3khv n GLY 205 N -1.45 -0.04 3.19 1.08 0.00 -1.26 -5.03 105.19 101.68 3khv n GLY 205 Ca -0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3khv n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khv s ARG 206 N -5.73 0.28 -0.06 1.61 3.52 -0.71 -5.11 118.95 112.74 3khv s ARG 206 Ca 0.33 0.91 -0.34 0.00 -0.13 0.00 0.00 55.73 56.51 3khv s ARG 206 Cb -0.15 0.17 -0.12 0.00 -1.56 0.00 0.00 34.95 33.30 3khv s ARG 206 CO 0.48 -0.25 1.87 -1.33 -0.81 0.00 0.00 175.30 175.26 3khv n MET 207 N 5.20 2.24 -4.68 5.12 2.81 -1.26 -2.06 117.12 124.49 3khv n MET 207 Ca -0.10 0.82 -0.23 0.00 -1.81 0.00 0.00 57.70 56.37 3khv n MET 207 Cb 0.50 -2.67 -0.15 0.00 -0.71 0.00 0.00 33.22 30.19 3khv n MET 207 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3khv s THR 208 N 3.87 1.28 -1.08 2.03 2.01 0.91 -4.09 115.64 120.57 3khv s THR 208 Ca 0.91 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 3khv s THR 208 Cb -0.67 -1.09 0.07 0.00 0.01 0.00 0.00 72.50 70.83 3khv s THR 208 CO 0.50 0.29 1.46 -0.22 -0.69 0.00 0.00 174.62 175.96 3khv s LEU 209 N -0.58 3.91 0.06 4.42 1.98 -0.38 -1.11 118.68 126.98 3khv s LEU 209 Ca 0.06 -1.85 -0.06 0.00 -2.89 0.00 0.00 54.13 49.38 3khv s LEU 209 Cb -0.07 -2.53 -0.29 0.00 0.66 0.00 0.00 46.19 43.95 3khv s LEU 209 CO -0.00 -1.32 1.07 0.74 -1.89 0.00 0.00 176.35 174.95 3khv h THR 210 N 6.25 1.41 -3.90 3.68 2.02 -1.47 -3.37 112.91 117.54 3khv h THR 210 Ca 0.25 -2.97 -0.11 0.00 0.77 0.00 0.00 66.41 64.36 3khv h THR 210 Cb 0.97 2.93 -0.12 0.00 -1.74 0.00 0.00 68.15 70.19 3khv h THR 210 CO 1.37 0.87 -0.31 -0.83 0.37 0.00 0.00 175.52 176.99 3khv s GLY 211 N -4.70 0.54 -0.11 2.16 0.00 -0.69 -1.70 107.32 102.82 3khv s GLY 211 Ca -0.06 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3khv s GLY 211 CO 0.89 -0.84 -0.14 -0.42 0.00 0.00 0.00 173.10 172.59 3khv s ILE 212 N -3.99 1.42 -0.16 0.90 1.01 -1.07 0.10 121.20 119.42 3khv s ILE 212 Ca 0.19 -0.58 -0.39 0.00 0.00 0.00 0.00 60.65 59.87 3khv s ILE 212 Cb 0.03 -1.32 -0.16 0.00 0.01 0.00 0.00 42.46 41.02 3khv s ILE 212 CO 0.02 0.43 1.63 0.52 0.00 0.00 0.00 174.94 177.54 3khv n VAL 213 N 4.40 0.23 0.04 2.92 0.31 0.57 -1.13 118.33 125.66 3khv n VAL 213 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3khv n VAL 213 Cb 0.51 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3khv n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3khv n SER 214 N 4.57 0.59 -1.98 4.52 2.88 -0.91 -1.20 113.62 122.10 3khv n SER 214 Ca 0.24 0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 57.87 3khv n SER 214 Cb 0.16 -0.15 0.01 0.00 -0.75 0.00 0.00 64.21 63.48 3khv n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3khv n TRP 215 N -3.29 -1.39 0.00 0.66 4.27 -0.74 -4.92 117.44 112.03 3khv n TRP 215 Ca 0.00 -0.80 0.00 0.00 -3.89 0.00 0.00 57.50 52.81 3khv n TRP 215 Cb 0.15 0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.50 3khv n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3khv n GLY 216 N -0.30 2.06 3.53 -1.67 0.00 -1.26 0.50 105.19 108.05 3khv n GLY 216 Ca -0.03 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 3khv n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khv s ARG 217 N -2.00 3.35 4.16 1.61 6.06 -1.26 -4.91 118.95 125.96 3khv s ARG 217 Ca 0.00 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 3khv s ARG 217 Cb 0.00 -3.94 0.00 0.00 0.06 0.00 0.00 34.95 31.07 3khv s ARG 217 CO 0.00 -1.03 0.00 0.41 -2.50 0.00 0.00 175.30 172.18 3khv n GLY 219 N 4.99 0.92 3.27 8.12 0.00 -1.26 -4.69 105.19 116.54 3khv n GLY 219 Ca -0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 3khv n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khv n ALA 221 N 4.97 -1.04 -2.61 0.00 0.00 -1.26 -4.93 120.51 115.64 3khv n ALA 221 Ca -0.14 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 3khv n ALA 221 Cb 0.52 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.39 3khv n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3khv s LEU 222 N -6.65 4.25 0.42 0.00 1.43 -1.26 -4.62 118.68 112.25 3khv s LEU 222 Ca 0.37 0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 53.89 3khv s LEU 222 Cb -0.18 -3.37 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 3khv s LEU 222 CO 0.45 0.03 1.45 -0.75 0.23 0.00 0.00 176.35 177.76 3khv s LYS 223 N -2.63 3.85 -1.76 1.70 2.20 -1.26 -2.31 119.74 119.54 3khv s LYS 223 Ca 0.42 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 3khv s LYS 223 Cb -0.12 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 3khv s LYS 223 CO 0.23 -0.70 0.00 -0.25 -0.36 0.00 0.00 175.35 174.27 3khv n ASP 223 N 0.06 -4.46 -3.32 1.43 8.00 -1.26 -4.88 116.55 112.12 3khv n ASP 223 Ca 0.03 0.41 -0.26 0.00 0.71 0.00 0.00 54.79 55.69 3khv n ASP 223 Cb 0.41 -4.00 -0.07 0.00 -0.02 0.00 0.00 41.12 37.43 3khv n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khv n LYS 224 N -2.06 1.99 -1.13 -1.24 4.76 -0.98 -4.05 118.16 115.46 3khv n LYS 224 Ca -0.17 -4.22 -0.35 0.00 -2.87 0.00 0.00 58.31 50.71 3khv n LYS 224 Cb 0.55 -1.93 0.09 0.00 -1.84 0.00 0.00 35.03 31.91 3khv n LYS 224 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3khv n PRO 225 N 0.94 0.16 -3.00 1.97 -0.02 -1.26 -4.49 135.00 129.29 3khv n PRO 225 Ca 0.27 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.46 3khv n PRO 225 Cb 0.45 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 3khv n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3khv s GLY 226 N -1.73 2.73 -0.14 -1.23 0.00 -0.56 -4.40 107.32 101.99 3khv s GLY 226 Ca 0.65 0.23 -0.07 0.00 0.00 0.00 0.00 44.72 45.53 3khv s GLY 226 CO 0.58 1.14 0.13 0.14 0.00 0.00 0.00 173.10 175.10 3khv s VAL 227 N 0.32 5.44 0.18 1.40 1.01 0.18 -1.33 120.40 127.61 3khv s VAL 227 Ca 0.39 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.63 3khv s VAL 227 Cb -0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3khv s VAL 227 CO 0.21 0.58 -0.15 -0.31 0.00 0.00 0.00 175.10 175.43 3khv s TYR 228 N -0.72 1.69 -0.35 5.22 1.51 0.31 -1.79 117.35 123.21 3khv s TYR 228 Ca 0.13 -0.54 -0.28 0.00 -1.01 0.00 0.00 57.07 55.37 3khv s TYR 228 Cb -0.12 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 3khv s TYR 228 CO 0.03 0.31 1.03 0.99 -1.11 0.00 0.00 175.55 176.80 3khv s THR 229 N -2.58 4.50 -0.75 -0.71 2.01 -0.28 -0.30 115.64 117.52 3khv s THR 229 Ca 0.18 1.50 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 3khv s THR 229 Cb -0.03 -4.41 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 3khv s THR 229 CO 0.06 -0.56 2.07 -0.60 -0.69 0.00 0.00 174.62 174.90 3khv s ARG 230 N 3.69 2.34 0.40 4.92 3.52 -0.96 -2.59 118.95 130.26 3khv s ARG 230 Ca 0.43 0.33 0.10 0.00 -0.13 0.00 0.00 55.73 56.46 3khv s ARG 230 Cb -0.11 -4.76 0.89 0.00 -1.56 0.00 0.00 34.95 29.41 3khv s ARG 230 CO 0.18 -3.38 1.96 0.28 -0.81 0.00 0.00 175.30 173.53 3khv h VAL 231 N 7.29 0.93 0.00 7.11 2.07 -1.61 -2.26 116.25 129.78 3khv h VAL 231 Ca -0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3khv h VAL 231 Cb 1.08 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3khv h VAL 231 CO 1.17 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 177.32 3khv n SER 232 N -4.48 0.00 -0.44 0.57 3.41 -1.26 -1.23 113.62 110.18 3khv n SER 232 Ca 0.11 -0.68 0.04 0.00 -0.26 0.00 0.00 58.87 58.08 3khv n SER 232 Cb 0.33 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.40 3khv n SER 232 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3khv n HIS 233 N -0.79 0.35 -0.97 7.33 -0.00 -0.85 -0.24 115.22 120.05 3khv n HIS 233 Ca 0.07 -0.57 0.01 0.00 -0.00 0.00 0.00 57.72 57.22 3khv n HIS 233 Cb 0.03 -0.07 0.01 0.00 -0.00 0.00 0.00 29.99 29.96 3khv n HIS 233 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3khv n PHE 234 N -0.03 0.00 -0.29 4.41 3.01 -0.37 -4.91 117.46 119.28 3khv n PHE 234 Ca 0.09 -0.18 0.01 0.00 1.01 0.00 0.00 57.45 58.38 3khv n PHE 234 Cb 0.44 -0.03 0.14 0.00 -0.01 0.00 0.00 39.48 40.02 3khv n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3khv h LEU 235 N 0.00 0.74 -0.63 4.37 3.38 -1.82 0.84 115.31 122.19 3khv h LEU 235 Ca 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3khv h LEU 235 Cb 0.96 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3khv h LEU 235 CO 0.00 0.46 0.27 -0.65 0.09 0.00 0.00 178.44 178.61 3khv h PRO 236 N 0.87 0.93 0.24 1.13 0.11 -1.95 1.08 132.00 134.41 3khv h PRO 236 Ca 0.37 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3khv h PRO 236 Cb 0.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3khv h PRO 236 CO -0.19 0.77 -0.11 2.35 -0.21 0.00 0.00 178.00 180.61 3khv h TRP 237 N 0.88 -0.30 -0.18 0.65 7.01 -1.85 -0.84 115.95 121.33 3khv h TRP 237 Ca 0.21 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.22 3khv h TRP 237 Cb 0.18 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 3khv h TRP 237 CO 0.01 -0.17 0.08 0.82 -2.79 0.00 0.00 178.44 176.39 3khv h ILE 238 N -0.34 0.98 0.43 2.65 2.04 -0.26 -1.47 117.51 121.54 3khv h ILE 238 Ca -0.03 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3khv h ILE 238 Cb 0.26 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3khv h ILE 238 CO 0.05 0.03 -0.21 0.03 0.00 0.00 0.00 178.15 178.06 3khv h ARG 239 N 0.17 -0.56 -0.79 2.37 3.08 0.13 -2.75 114.38 116.04 3khv h ARG 239 Ca 0.07 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.21 3khv h ARG 239 Cb 0.03 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 3khv h ARG 239 CO -0.06 -0.34 0.52 0.66 -1.07 0.00 0.00 179.97 179.68 3khv h SER 240 N -0.64 0.79 0.00 7.04 4.64 -1.15 -1.87 113.55 122.36 3khv h SER 240 Ca -0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3khv h SER 240 Cb 0.48 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3khv h SER 240 CO 0.10 0.53 0.00 1.41 -0.87 0.00 0.00 176.83 177.99 3khv n HIS 241 N -4.47 0.00 -0.46 4.77 8.25 -0.56 -3.07 115.22 119.68 3khv n HIS 241 Ca 0.11 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.58 3khv n HIS 241 Cb 0.17 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.29 3khv n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3khv n THR 242 N -0.82 0.79 0.00 1.59 -2.24 -0.72 -5.05 114.28 107.82 3khv n THR 242 Ca 0.15 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3khv n THR 242 Cb 0.07 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3khv n THR 242 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79