#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hko s TYR -3 N 0.00 2.48 -0.35 -1.77 6.14 -1.26 -5.03 117.35 117.56 3hko s TYR -3 Ca 0.00 -1.08 0.08 0.00 0.64 0.00 0.00 57.07 56.72 3hko s TYR -3 Cb 0.00 -1.68 0.21 0.00 0.42 0.00 0.00 41.96 40.92 3hko s TYR -3 CO 0.00 -0.46 1.16 1.19 0.64 0.00 0.00 175.55 178.09 3hko n PHE -2 N 3.70 0.28 -4.02 4.97 3.72 -1.26 -4.97 117.46 119.88 3hko n PHE -2 Ca -0.19 -0.62 -0.32 0.00 -0.05 0.00 0.00 57.45 56.26 3hko n PHE -2 Cb 0.52 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 3hko n PHE -2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hko n GLN -1 N -0.29 -4.73 -2.06 -1.08 10.64 -1.26 -4.97 117.38 113.62 3hko n GLN -1 Ca 0.09 0.52 -0.28 0.00 -1.83 0.00 0.00 57.00 55.50 3hko n GLN -1 Cb 0.45 -5.35 0.07 0.00 -0.86 0.00 0.00 30.24 24.55 3hko n GLN -1 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3hko s GLY 0 N -3.32 1.63 1.07 2.61 0.00 -1.26 -5.02 107.32 103.04 3hko s GLY 0 Ca 0.68 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 3hko s GLY 0 CO 0.86 -0.29 1.14 -0.32 0.00 0.00 0.00 173.10 174.49 3hko s GLY 1 N -4.50 1.60 0.50 0.20 0.00 -0.19 -4.61 107.32 100.32 3hko s GLY 1 Ca 0.60 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 3hko s GLY 1 CO 0.47 -0.03 0.97 -1.35 0.00 0.00 0.00 173.10 173.17 3hko s SER 2 N -3.96 6.67 0.49 1.64 1.04 -1.26 -0.72 113.70 117.59 3hko s SER 2 Ca 0.69 1.57 0.27 0.00 0.48 0.00 0.00 55.95 58.96 3hko s SER 2 Cb -0.12 -2.51 1.24 0.00 0.10 0.00 0.00 66.02 64.73 3hko s SER 2 CO 0.55 -0.55 1.97 -0.07 0.98 0.00 0.00 173.24 176.12 3hko h LEU 3 N 1.07 0.00 -0.39 2.42 4.07 -1.93 -1.89 115.31 118.65 3hko h LEU 3 Ca -0.47 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.47 3hko h LEU 3 Cb 1.18 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 3hko h LEU 3 CO 0.61 0.16 0.19 0.25 -1.08 0.00 0.00 178.44 178.57 3hko h LEU 4 N 0.00 0.52 -0.48 1.67 5.85 -1.94 -1.18 115.31 119.75 3hko h LEU 4 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3hko h LEU 4 Cb 0.52 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3hko h LEU 4 CO 0.02 0.51 0.31 -0.08 -0.34 0.00 0.00 178.44 178.86 3hko h GLU 5 N 0.50 0.64 -0.12 1.25 4.81 -1.80 -2.49 114.58 117.37 3hko h GLU 5 Ca 0.14 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3hko h GLU 5 Cb 0.13 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3hko h GLU 5 CO -0.02 0.43 -0.16 1.25 -0.73 0.00 0.00 179.01 179.78 3hko h LEU 6 N 0.65 -0.51 -1.93 1.64 6.46 -1.07 -0.33 115.31 120.22 3hko h LEU 6 Ca 0.18 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 3hko h LEU 6 Cb -0.06 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3hko h LEU 6 CO -0.04 -0.21 -0.10 0.06 -0.62 0.00 0.00 178.44 177.53 3hko h GLN 7 N -0.21 0.00 0.02 1.25 3.07 -1.08 0.02 115.11 118.17 3hko h GLN 7 Ca 0.09 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.61 3hko h GLN 7 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.90 3hko h GLN 7 CO -0.24 0.10 -0.95 0.87 0.09 0.00 0.00 178.83 178.69 3hko h LYS 8 N 0.00 0.30 0.00 0.06 6.56 -0.89 -3.37 116.57 119.24 3hko h LYS 8 Ca -0.00 -0.35 -0.28 0.00 -1.06 0.00 0.00 60.65 58.96 3hko h LYS 8 Cb 0.34 0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.06 3hko h LYS 8 CO 0.01 1.06 -1.57 -0.22 -2.06 0.00 0.00 179.45 176.67 3hko h LYS 9 N 0.16 0.01 -6.20 3.15 3.64 -0.22 -3.46 116.57 113.64 3hko h LYS 9 Ca -0.07 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.69 3hko h LYS 9 Cb 1.60 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 33.15 3hko h LYS 9 CO 0.16 0.61 -0.85 0.71 -2.27 0.00 0.00 179.45 177.80 3hko s TYR 10 N -2.62 1.93 -0.38 1.91 1.51 -0.09 -0.52 117.35 119.09 3hko s TYR 10 Ca -0.04 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.50 3hko s TYR 10 Cb 0.08 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 3hko s TYR 10 CO 0.82 0.06 0.27 -1.58 -1.11 0.00 0.00 175.55 174.02 3hko s HIS 11 N -0.71 3.24 0.07 2.71 5.65 0.55 -4.62 115.29 122.16 3hko s HIS 11 Ca 0.08 -0.42 -0.29 0.00 0.25 0.00 0.00 55.06 54.68 3hko s HIS 11 Cb -0.09 -2.54 -0.05 0.00 -1.18 0.00 0.00 32.58 28.72 3hko s HIS 11 CO 0.01 -0.49 0.94 -0.51 -0.65 0.00 0.00 174.74 174.05 3hko s LEU 12 N 1.70 4.45 0.00 8.88 1.02 -1.26 -0.74 118.68 132.73 3hko s LEU 12 Ca 0.05 1.71 0.00 0.00 0.02 0.00 0.00 54.13 55.91 3hko s LEU 12 Cb -0.18 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.49 3hko s LEU 12 CO 0.10 -0.12 0.00 0.29 0.02 0.00 0.00 176.35 176.64 3hko n LYS 13 N 3.16 3.59 -1.70 1.70 5.02 0.90 -4.98 118.16 125.85 3hko n LYS 13 Ca 0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 3hko n LYS 13 Cb 0.50 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.56 3hko n LYS 13 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hko s GLY 14 N 0.00 1.96 0.38 0.72 0.00 -1.26 -4.34 107.32 104.78 3hko s GLY 14 Ca 0.00 0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.82 3hko s GLY 14 CO 0.00 0.70 1.29 0.00 0.00 0.00 0.00 173.10 175.09 3hko s ALA 15 N -2.61 3.32 -0.03 3.20 0.00 -1.26 -0.98 121.76 123.39 3hko s ALA 15 Ca 0.63 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3hko s ALA 15 Cb -0.17 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3hko s ALA 15 CO 0.46 -0.74 0.24 1.51 0.00 0.00 0.00 175.76 177.22 3hko n ILE 16 N 0.32 0.00 -3.63 0.00 3.06 0.48 -4.67 119.36 114.91 3hko n ILE 16 Ca 0.03 -0.50 -0.00 0.00 -2.50 0.00 0.00 62.75 59.78 3hko n ILE 16 Cb 0.43 1.00 -0.01 0.00 0.54 0.00 0.00 39.64 41.61 3hko n ILE 16 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3hko s GLY 17 N -0.58 -0.38 -0.05 4.50 0.00 -1.15 -4.98 107.32 104.69 3hko s GLY 17 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.50 3hko s GLY 17 CO 0.01 0.17 -0.08 1.62 0.00 0.00 0.00 173.10 174.82 3hko s GLN 18 N -2.55 1.13 0.04 2.90 0.74 -1.26 -0.68 119.66 119.98 3hko s GLN 18 Ca 0.13 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.30 3hko s GLN 18 Cb 0.03 -1.03 0.00 0.00 1.10 0.00 0.00 33.01 33.12 3hko s GLN 18 CO -0.03 -0.00 0.04 0.41 -0.55 0.00 0.00 175.29 175.16 3hko n GLY 19 N 3.79 2.32 0.24 2.59 0.00 0.89 -4.97 105.19 110.06 3hko n GLY 19 Ca -0.23 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.75 3hko n GLY 19 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hko h SER 20 N 0.02 0.00 -0.00 1.61 0.02 -2.01 -3.27 113.55 109.92 3hko h SER 20 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hko h SER 20 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hko h SER 20 CO 0.03 0.18 -0.02 -1.22 -1.14 0.00 0.00 176.83 174.66 3hko n TYR 21 N -3.55 0.00 -1.72 3.45 4.01 -1.26 -5.01 117.16 113.08 3hko n TYR 21 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3hko n TYR 21 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3hko n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hko n GLY 22 N 0.30 -2.16 3.94 2.72 0.00 -1.22 -0.87 105.19 107.89 3hko n GLY 22 Ca 0.02 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 3hko n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hko s VAL 23 N -2.44 4.23 -0.20 1.61 -7.23 -1.24 -0.08 120.40 115.06 3hko s VAL 23 Ca 0.00 -0.27 -0.04 0.00 -1.81 0.00 0.00 61.98 59.86 3hko s VAL 23 Cb 0.00 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 3hko s VAL 23 CO 0.00 -0.48 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.59 3hko s VAL 24 N -2.65 3.65 0.02 1.32 1.01 0.15 -1.08 120.40 122.81 3hko s VAL 24 Ca 0.48 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3hko s VAL 24 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3hko s VAL 24 CO 0.40 0.44 -0.20 -0.13 0.00 0.00 0.00 175.10 175.61 3hko s ARG 25 N 1.08 2.09 0.42 2.72 0.52 -0.08 -0.39 118.95 125.30 3hko s ARG 25 Ca 0.01 -0.95 -0.26 0.00 -0.52 0.00 0.00 55.73 54.01 3hko s ARG 25 Cb -0.15 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.08 3hko s ARG 25 CO 0.00 0.55 1.36 0.08 0.02 0.00 0.00 175.30 177.31 3hko s VAL 26 N -0.83 2.39 -0.03 3.52 1.01 -0.16 -0.22 120.40 126.07 3hko s VAL 26 Ca 0.13 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 3hko s VAL 26 Cb -0.10 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3hko s VAL 26 CO 0.03 0.05 0.14 0.00 0.00 0.00 0.00 175.10 175.32 3hko s ALA 27 N -1.23 -0.33 -0.23 5.51 0.00 -0.12 -0.07 121.76 125.29 3hko s ALA 27 Ca 0.58 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 3hko s ALA 27 Cb -0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3hko s ALA 27 CO 0.53 -0.12 0.08 0.42 0.00 0.00 0.00 175.76 176.66 3hko s ILE 28 N -0.48 4.55 -0.10 0.00 -1.09 0.08 0.07 121.20 124.22 3hko s ILE 28 Ca -0.06 -0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 57.97 3hko s ILE 28 Cb -0.04 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 3hko s ILE 28 CO 0.01 0.37 1.49 -0.70 -1.23 0.00 0.00 174.94 174.88 3hko s GLU 29 N 1.18 4.19 0.19 2.79 2.12 0.33 -0.33 118.70 129.17 3hko s GLU 29 Ca 0.05 1.96 -0.12 0.00 0.36 0.00 0.00 54.97 57.22 3hko s GLU 29 Cb -0.14 -3.90 0.13 0.00 0.26 0.00 0.00 34.13 30.48 3hko s GLU 29 CO 0.04 -0.80 1.85 -0.91 -0.54 0.00 0.00 175.26 174.90 3hko h ASN 30 N 9.00 0.70 1.50 -1.70 2.35 -1.14 0.30 115.58 126.60 3hko h ASN 30 Ca -0.34 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 3hko h ASN 30 Cb 1.15 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3hko h ASN 30 CO 0.96 0.50 -0.51 1.56 -1.65 0.00 0.00 177.43 178.29 3hko h GLN 31 N 0.83 0.00 0.00 0.81 7.50 -1.91 -3.35 115.11 118.99 3hko h GLN 31 Ca 0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.40 3hko h GLN 31 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.48 3hko h GLN 31 CO -0.07 0.22 -1.32 0.25 -1.50 0.00 0.00 178.83 176.41 3hko n THR 32 N -3.06 0.00 -0.96 -0.54 -2.24 -1.17 -5.00 114.28 101.31 3hko n THR 32 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3hko n THR 32 Cb 0.65 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3hko n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hko n ARG 33 N -1.76 -1.21 -1.78 -0.78 5.12 0.11 -5.00 116.66 111.36 3hko n ARG 33 Ca -0.01 0.30 -0.41 0.00 -1.93 0.00 0.00 57.85 55.80 3hko n ARG 33 Cb 0.22 -4.31 -0.00 0.00 -1.16 0.00 0.00 32.46 27.20 3hko n ARG 33 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hko s ALA 34 N -1.39 3.62 -0.27 7.54 0.00 -1.25 -4.67 121.76 125.34 3hko s ALA 34 Ca 0.00 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 3hko s ALA 34 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3hko s ALA 34 CO 0.00 -1.05 0.21 0.42 0.00 0.00 0.00 175.76 175.34 3hko s ILE 35 N -0.83 5.30 0.38 0.00 1.01 -1.26 -0.51 121.20 125.29 3hko s ILE 35 Ca 0.56 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.52 3hko s ILE 35 Cb -0.47 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 3hko s ILE 35 CO 0.60 0.25 -0.02 -0.13 0.00 0.00 0.00 174.94 175.63 3hko s ARG 36 N 1.72 1.93 -0.16 2.79 1.81 0.11 -4.27 118.95 122.89 3hko s ARG 36 Ca 0.08 -2.02 -0.04 0.00 -1.72 0.00 0.00 55.73 52.03 3hko s ARG 36 Cb -0.16 -1.69 -0.03 0.00 -0.45 0.00 0.00 34.95 32.62 3hko s ARG 36 CO 0.10 0.02 -0.01 0.00 -0.68 0.00 0.00 175.30 174.73 3hko s ALA 37 N -2.66 3.11 -0.22 2.13 0.00 -0.33 -0.94 121.76 122.84 3hko s ALA 37 Ca 0.34 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3hko s ALA 37 Cb 0.07 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3hko s ALA 37 CO 0.18 0.23 -0.07 0.42 0.00 0.00 0.00 175.76 176.52 3hko s ILE 38 N 0.27 3.02 -0.28 0.00 1.01 0.69 -0.17 121.20 125.74 3hko s ILE 38 Ca -0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 3hko s ILE 38 Cb -0.14 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 3hko s ILE 38 CO 0.02 0.37 0.45 -0.75 0.00 0.00 0.00 174.94 175.03 3hko s LYS 39 N 1.40 3.98 -0.22 2.79 2.20 0.04 -0.91 119.74 129.02 3hko s LYS 39 Ca 0.04 0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.70 3hko s LYS 39 Cb -0.15 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 3hko s LYS 39 CO -0.05 -0.36 0.07 0.42 -0.36 0.00 0.00 175.35 175.07 3hko s ILE 40 N 2.22 4.58 -0.08 5.43 1.01 -0.24 -0.96 121.20 133.15 3hko s ILE 40 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3hko s ILE 40 Cb -0.16 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3hko s ILE 40 CO 0.10 0.39 -0.17 -0.04 0.00 0.00 0.00 174.94 175.22 3hko s MET 41 N 1.04 2.30 -0.30 2.79 -1.94 0.09 -3.41 119.30 119.87 3hko s MET 41 Ca 0.04 -0.62 -0.27 0.00 -1.71 0.00 0.00 55.69 53.14 3hko s MET 41 Cb -0.14 -1.81 0.01 0.00 2.01 0.00 0.00 34.83 34.90 3hko s MET 41 CO 0.03 0.09 0.96 1.21 -0.01 0.00 0.00 175.02 177.30 3hko s ASN 42 N 0.54 6.85 0.36 3.03 3.84 -0.05 -0.93 114.94 128.57 3hko s ASN 42 Ca -0.16 0.94 0.08 0.00 0.21 0.00 0.00 52.86 53.92 3hko s ASN 42 Cb -0.17 -2.49 0.68 0.00 -0.55 0.00 0.00 41.25 38.72 3hko s ASN 42 CO 0.06 -0.75 1.87 0.11 -2.79 0.00 0.00 177.10 175.59 3hko h LYS 43 N 8.02 0.31 -0.47 0.43 1.57 -0.85 -2.43 116.57 123.15 3hko h LYS 43 Ca -0.22 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 3hko h LYS 43 Cb 1.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3hko h LYS 43 CO 0.97 0.47 -0.08 -0.91 -0.57 0.00 0.00 179.45 179.33 3hko h ASN 44 N 0.29 0.88 -0.15 0.86 2.35 -1.88 -2.19 115.58 115.75 3hko h ASN 44 Ca 0.06 -0.34 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 3hko h ASN 44 Cb 0.44 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3hko h ASN 44 CO 0.03 1.02 -0.26 0.50 -1.65 0.00 0.00 177.43 177.06 3hko h LYS 45 N 0.73 0.62 0.56 0.81 3.64 -1.87 -2.58 116.57 118.48 3hko h LYS 45 Ca 0.12 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3hko h LYS 45 Cb 0.61 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hko h LYS 45 CO 0.04 0.82 -0.34 0.82 -2.27 0.00 0.00 179.45 178.53 3hko h ILE 46 N 0.54 0.31 -0.43 2.00 2.04 -1.31 -3.10 117.51 117.56 3hko h ILE 46 Ca 0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3hko h ILE 46 Cb 0.74 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3hko h ILE 46 CO 0.06 0.00 0.30 0.03 0.00 0.00 0.00 178.15 178.53 3hko h ARG 47 N -0.85 0.21 -1.56 2.37 3.08 -1.34 -3.44 114.38 112.83 3hko h ARG 47 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hko h ARG 47 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3hko h ARG 47 CO 0.08 0.14 0.00 1.04 -1.07 0.00 0.00 179.97 180.15 3hko n GLN 48 N -4.46 0.89 0.00 0.04 6.02 -0.98 -5.09 117.38 113.80 3hko n GLN 48 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3hko n GLN 48 Cb 0.35 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.56 3hko n GLN 48 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3hko n LYS 52 N 1.06 0.00 0.00 -1.09 0.00 -1.26 -4.95 118.16 111.93 3hko n LYS 52 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 3hko n LYS 52 Cb 0.45 0.00 0.34 0.00 -0.00 0.00 0.00 35.03 35.82 3hko n LYS 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hko n ASP 53 N 3.38 0.00 0.16 -5.58 9.92 -1.26 -3.56 116.55 119.61 3hko n ASP 53 Ca 0.00 0.28 -0.14 0.00 -0.53 0.00 0.00 54.79 54.40 3hko n ASP 53 Cb 0.00 -0.39 -0.08 0.00 -0.64 0.00 0.00 41.12 40.01 3hko n ASP 53 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3hko h VAL 54 N 0.00 0.77 -0.52 2.53 2.07 -1.99 0.12 116.25 119.22 3hko h VAL 54 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3hko h VAL 54 Cb 0.19 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hko h VAL 54 CO 0.00 0.02 0.34 -0.33 0.02 0.00 0.00 177.57 177.62 3hko h GLU 55 N -0.39 0.69 -0.84 1.57 3.07 -2.00 -1.35 114.58 115.33 3hko h GLU 55 Ca -0.03 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3hko h GLU 55 Cb 0.30 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3hko h GLU 55 CO 0.06 0.46 0.44 0.00 -1.40 0.00 0.00 179.01 178.57 3hko h ARG 56 N 0.71 1.19 -0.08 2.33 3.08 -1.66 -1.44 114.38 118.50 3hko h ARG 56 Ca 0.19 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hko h ARG 56 Cb -0.07 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.75 3hko h ARG 56 CO -0.04 0.88 -0.07 0.82 -1.07 0.00 0.00 179.97 180.49 3hko h ILE 57 N 1.18 1.35 -1.00 2.04 1.08 -0.52 0.47 117.51 122.12 3hko h ILE 57 Ca 0.29 -1.19 0.08 0.00 -0.39 0.00 0.00 64.86 63.66 3hko h ILE 57 Cb 0.06 1.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 3hko h ILE 57 CO -0.04 0.33 0.64 0.11 -0.69 0.00 0.00 178.15 178.50 3hko h LYS 58 N -0.21 1.07 -0.05 2.37 1.57 -1.17 -0.34 116.57 119.81 3hko h LYS 58 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hko h LYS 58 Cb 0.56 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hko h LYS 58 CO 0.02 0.71 -0.00 1.15 -0.57 0.00 0.00 179.45 180.75 3hko h THR 59 N 1.10 1.27 -0.34 -0.16 2.02 -1.18 -0.92 112.91 114.71 3hko h THR 59 Ca 0.45 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.87 3hko h THR 59 Cb 0.28 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 3hko h THR 59 CO -0.21 0.22 0.06 -0.08 0.37 0.00 0.00 175.52 175.88 3hko h GLU 60 N -0.23 0.17 0.17 6.66 4.81 -0.60 0.15 114.58 125.71 3hko h GLU 60 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hko h GLU 60 Cb 0.36 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3hko h GLU 60 CO 0.00 0.11 -0.08 0.28 -0.73 0.00 0.00 179.01 178.59 3hko h VAL 61 N 0.17 0.92 -0.84 0.32 2.07 -1.05 -0.26 116.25 117.58 3hko h VAL 61 Ca 0.16 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.31 3hko h VAL 61 Cb 0.19 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3hko h VAL 61 CO -0.22 0.11 0.50 -0.09 0.02 0.00 0.00 177.57 177.88 3hko h ARG 62 N -0.45 0.84 0.16 1.57 2.43 -1.05 -1.21 114.38 116.65 3hko h ARG 62 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3hko h ARG 62 Cb 0.35 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hko h ARG 62 CO 0.04 0.55 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.91 3hko h LEU 63 N 0.86 -0.18 -1.77 3.80 3.38 -0.87 -3.17 115.31 117.37 3hko h LEU 63 Ca 0.39 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hko h LEU 63 Cb 0.29 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hko h LEU 63 CO -0.22 0.29 0.19 0.24 0.09 0.00 0.00 178.44 179.03 3hko h MET 64 N -0.70 0.30 -0.61 1.13 2.86 -0.90 -1.03 114.93 115.97 3hko h MET 64 Ca -0.02 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3hko h MET 64 Cb 0.50 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3hko h MET 64 CO 0.04 0.20 0.20 -0.22 1.06 0.00 0.00 176.91 178.18 3hko h LYS 65 N 0.31 0.92 0.00 1.72 3.64 -1.29 -3.14 116.57 118.73 3hko h LYS 65 Ca 0.11 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hko h LYS 65 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3hko h LYS 65 CO -0.02 0.79 -0.79 0.36 -2.27 0.00 0.00 179.45 177.51 3hko n LYS 66 N -4.29 0.25 -2.94 1.90 2.85 -0.47 -4.82 118.16 110.65 3hko n LYS 66 Ca 0.05 0.03 -0.40 0.00 -1.05 0.00 0.00 58.31 56.95 3hko n LYS 66 Cb 0.20 -1.62 -0.06 0.00 -0.65 0.00 0.00 35.03 32.90 3hko n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hko s LEU 67 N -3.92 4.59 -0.33 -5.58 1.43 -0.73 -5.04 118.68 109.09 3hko s LEU 67 Ca 0.06 1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 3hko s LEU 67 Cb 0.14 -3.35 0.12 0.00 0.03 0.00 0.00 46.19 43.13 3hko s LEU 67 CO 0.76 0.18 0.16 -1.00 0.23 0.00 0.00 176.35 176.67 3hko s HIS 68 N -1.02 0.97 -0.18 0.29 3.76 -1.26 -4.81 115.29 113.04 3hko s HIS 68 Ca 0.37 -1.50 -0.17 0.00 -0.15 0.00 0.00 55.06 53.62 3hko s HIS 68 Cb -0.23 -1.22 0.05 0.00 1.11 0.00 0.00 32.58 32.29 3hko s HIS 68 CO 0.27 -0.83 0.48 -1.58 -0.85 0.00 0.00 174.74 172.23 3hko s HIS 69 N 1.45 -0.53 -0.51 1.40 5.04 -1.26 -5.05 115.29 115.83 3hko s HIS 69 Ca 0.13 1.30 0.21 0.00 -1.54 0.00 0.00 55.06 55.15 3hko s HIS 69 Cb -0.20 0.18 0.92 0.00 0.04 0.00 0.00 32.58 33.53 3hko s HIS 69 CO -0.18 -0.26 1.63 -0.35 -2.34 0.00 0.00 174.74 173.24 3hko n PRO 70 N 2.85 0.15 -0.44 2.88 -0.04 -1.26 -1.70 135.00 137.43 3hko n PRO 70 Ca -0.14 0.46 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 3hko n PRO 70 Cb 0.57 -1.82 0.26 0.00 -0.04 0.00 0.00 33.50 32.47 3hko n PRO 70 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hko n ASN 71 N -2.10 3.95 -4.07 3.54 4.13 -1.26 -4.81 115.26 114.63 3hko n ASN 71 Ca 0.01 -2.60 -0.28 0.00 1.68 0.00 0.00 54.58 53.40 3hko n ASN 71 Cb 0.16 -0.47 -0.17 0.00 -1.54 0.00 0.00 39.78 37.76 3hko n ASN 71 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hko s ILE 72 N -2.09 1.47 0.16 2.41 1.01 -0.69 0.01 121.20 123.48 3hko s ILE 72 Ca 0.40 -0.65 -0.32 0.00 0.00 0.00 0.00 60.65 60.08 3hko s ILE 72 Cb 0.28 -1.32 -0.11 0.00 0.01 0.00 0.00 42.46 41.32 3hko s ILE 72 CO 0.15 0.43 1.69 0.00 0.00 0.00 0.00 174.94 177.21 3hko s ALA 73 N 0.76 3.83 0.34 9.38 0.00 -0.29 -4.54 121.76 131.24 3hko s ALA 73 Ca -0.12 1.46 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 3hko s ALA 73 Cb -0.16 -3.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 3hko s ALA 73 CO 0.02 -0.96 1.06 1.03 0.00 0.00 0.00 175.76 176.91 3hko s ARG 74 N 1.64 4.41 -0.28 0.00 1.81 -1.26 -4.88 118.95 120.38 3hko s ARG 74 Ca 0.75 1.62 -0.07 0.00 -1.72 0.00 0.00 55.73 56.30 3hko s ARG 74 Cb -0.46 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 3hko s ARG 74 CO 0.33 0.05 0.07 -1.17 -0.68 0.00 0.00 175.30 173.90 3hko s LEU 75 N -2.06 3.73 -0.20 2.53 2.96 -1.23 -0.98 118.68 123.43 3hko s LEU 75 Ca 0.51 -0.60 -0.20 0.00 -0.22 0.00 0.00 54.13 53.62 3hko s LEU 75 Cb -0.26 -1.88 -0.20 0.00 0.50 0.00 0.00 46.19 44.35 3hko s LEU 75 CO 0.33 -0.16 0.24 1.88 -1.32 0.00 0.00 176.35 177.32 3hko h TYR 76 N 8.23 0.06 -3.79 5.38 -1.99 -1.08 -3.40 116.97 120.39 3hko h TYR 76 Ca -0.33 -0.04 -0.12 0.00 2.00 0.00 0.00 58.73 60.24 3hko h TYR 76 Cb 1.14 -0.00 -0.17 0.00 2.00 0.00 0.00 36.73 39.70 3hko h TYR 76 CO 0.62 1.52 -0.48 -1.21 -0.00 0.00 0.00 178.16 178.61 3hko s GLU 77 N -2.38 0.65 -0.05 4.88 2.02 -1.14 -5.02 118.70 117.66 3hko s GLU 77 Ca -0.28 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 53.95 3hko s GLU 77 Cb 0.06 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.55 3hko s GLU 77 CO 0.61 -0.17 -0.14 0.08 0.02 0.00 0.00 175.26 175.66 3hko s VAL 78 N -2.89 1.20 0.06 2.63 1.01 -1.26 -0.83 120.40 120.31 3hko s VAL 78 Ca -0.03 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3hko s VAL 78 Cb 0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3hko s VAL 78 CO -0.06 0.36 -0.16 -0.31 0.00 0.00 0.00 175.10 174.93 3hko s TYR 79 N 0.26 1.41 0.10 5.22 1.51 0.18 -1.03 117.35 125.00 3hko s TYR 79 Ca -0.07 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.37 3hko s TYR 79 Cb -0.12 -0.82 0.06 0.00 -0.11 0.00 0.00 41.96 40.97 3hko s TYR 79 CO 0.02 0.08 0.55 -1.83 -1.11 0.00 0.00 175.55 173.26 3hko s GLU 80 N -1.43 1.15 0.00 -0.62 -1.05 0.10 0.44 118.70 117.29 3hko s GLU 80 Ca 0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 3hko s GLU 80 Cb -0.09 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3hko s GLU 80 CO 0.02 -0.45 0.00 -0.40 0.95 0.00 0.00 175.26 175.38 3hko n ASP 81 N 0.03 0.65 0.32 0.83 5.75 -0.56 -4.06 116.55 119.52 3hko n ASP 81 Ca -0.17 -0.83 0.20 0.00 -0.01 0.00 0.00 54.79 53.97 3hko n ASP 81 Cb 0.62 0.00 1.11 0.00 -1.03 0.00 0.00 41.12 41.82 3hko n ASP 81 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3hko h GLU 82 N 0.00 0.00 0.00 0.11 5.08 -2.02 -3.17 114.58 114.58 3hko h GLU 82 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3hko h GLU 82 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hko h GLU 82 CO 0.00 0.00 -1.36 1.04 -1.00 0.00 0.00 179.01 177.69 3hko n GLN 83 N -3.37 0.59 -4.31 2.33 6.02 -1.26 -4.82 117.38 112.56 3hko n GLN 83 Ca -0.03 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.72 3hko n GLN 83 Cb 0.08 -1.18 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 3hko n GLN 83 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3hko s TYR 84 N -2.47 1.01 -0.14 1.08 1.51 -1.20 -0.13 117.35 117.01 3hko s TYR 84 Ca -0.03 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.70 3hko s TYR 84 Cb 0.04 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.26 3hko s TYR 84 CO 0.30 0.00 -0.05 0.42 -1.11 0.00 0.00 175.55 175.12 3hko s ILE 85 N -0.72 3.79 -0.16 2.71 1.01 -0.11 -1.49 121.20 126.24 3hko s ILE 85 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3hko s ILE 85 Cb -0.07 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.78 3hko s ILE 85 CO 0.01 0.51 -0.16 0.00 0.00 0.00 0.00 174.94 175.29 3hko s LEU 87 N 1.37 3.27 -0.38 0.00 1.02 -0.13 -0.65 118.68 123.18 3hko s LEU 87 Ca 0.04 -0.36 -0.19 0.00 0.02 0.00 0.00 54.13 53.64 3hko s LEU 87 Cb -0.13 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.25 3hko s LEU 87 CO -0.11 -0.05 0.56 -0.69 0.02 0.00 0.00 176.35 176.08 3hko s VAL 88 N 1.54 4.96 0.34 -1.59 1.01 -0.01 -0.78 120.40 125.86 3hko s VAL 88 Ca 0.06 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3hko s VAL 88 Cb -0.15 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 3hko s VAL 88 CO 0.01 -0.35 0.06 0.00 0.00 0.00 0.00 175.10 174.82 3hko s MET 89 N 2.52 1.70 0.22 2.72 0.23 0.76 -0.40 119.30 127.05 3hko s MET 89 Ca 0.20 -1.96 -0.32 0.00 -1.03 0.00 0.00 55.69 52.59 3hko s MET 89 Cb -0.15 -0.88 -0.12 0.00 -1.53 0.00 0.00 34.83 32.15 3hko s MET 89 CO 0.15 -0.21 1.68 -2.00 -2.03 0.00 0.00 175.02 172.61 3hko s GLU 90 N -3.87 4.13 -0.04 3.16 2.12 -0.15 -1.19 118.70 122.86 3hko s GLU 90 Ca 0.35 2.58 -0.21 0.00 0.36 0.00 0.00 54.97 58.05 3hko s GLU 90 Cb 0.08 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 3hko s GLU 90 CO 0.15 -0.71 0.60 -1.17 -0.54 0.00 0.00 175.26 173.59 3hko s LEU 91 N 0.81 4.37 -0.23 2.70 2.96 -1.26 -4.51 118.68 123.52 3hko s LEU 91 Ca 0.72 1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 55.67 3hko s LEU 91 Cb -0.49 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 3hko s LEU 91 CO 0.35 0.03 0.04 0.00 -1.32 0.00 0.00 176.35 175.45 3hko n HIS 93 N 4.70 0.52 1.05 0.00 -0.00 0.39 -4.50 115.22 117.38 3hko n HIS 93 Ca -0.17 0.15 0.12 0.00 -0.00 0.00 0.00 57.72 57.83 3hko n HIS 93 Cb 0.51 -0.64 0.28 0.00 -0.00 0.00 0.00 29.99 30.15 3hko n HIS 93 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hko n GLY 94 N 1.31 -1.12 0.00 -1.41 0.00 0.35 -4.28 105.19 100.03 3hko n GLY 94 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3hko n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hko n GLY 95 N 1.47 -0.74 3.86 -0.02 0.00 -1.25 -4.61 105.19 103.89 3hko n GLY 95 Ca 0.07 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 3hko n GLY 95 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hko s HIS 96 N -1.12 3.03 0.24 1.61 -3.43 -1.26 -0.82 115.29 113.54 3hko s HIS 96 Ca 0.00 0.98 -0.08 0.00 -0.80 0.00 0.00 55.06 55.16 3hko s HIS 96 Cb 0.00 -3.22 0.41 0.00 -1.43 0.00 0.00 32.58 28.34 3hko s HIS 96 CO 0.00 -1.60 1.64 1.25 -2.00 0.00 0.00 174.74 174.03 3hko h LEU 97 N -0.95 -0.36 -0.77 5.38 5.85 -1.41 -0.09 115.31 122.96 3hko h LEU 97 Ca -0.46 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hko h LEU 97 Cb 1.28 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.66 3hko h LEU 97 CO 0.63 -0.18 -0.07 0.18 -0.34 0.00 0.00 178.44 178.67 3hko n LEU 98 N -5.35 1.26 -0.04 2.25 4.77 -1.26 -1.06 117.00 117.57 3hko n LEU 98 Ca 0.13 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 3hko n LEU 98 Cb 0.45 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 3hko n LEU 98 CO 0.05 0.22 0.52 0.44 -1.33 0.00 0.00 177.39 177.28 3hko h ASP 99 N 1.87 0.28 0.32 -1.43 3.32 -1.37 -3.38 116.42 116.03 3hko h ASP 99 Ca 0.00 -0.60 -0.33 0.00 0.02 0.00 0.00 57.03 56.12 3hko h ASP 99 Cb 0.47 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hko h ASP 99 CO 0.00 0.83 -1.67 0.50 -1.72 0.00 0.00 179.24 177.18 3hko h LYS 100 N -0.26 0.30 -4.97 3.56 3.64 -1.38 -3.43 116.57 114.03 3hko h LYS 100 Ca -0.00 -0.51 -0.65 0.00 -1.27 0.00 0.00 60.65 58.22 3hko h LYS 100 Cb 0.79 0.19 -0.17 0.00 -0.41 0.00 0.00 32.23 32.64 3hko h LYS 100 CO 0.04 1.18 -0.37 -0.51 -2.27 0.00 0.00 179.45 177.51 3hko s LEU 101 N -7.07 4.18 -0.48 5.20 1.43 -0.23 0.79 118.68 122.50 3hko s LEU 101 Ca -0.13 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 3hko s LEU 101 Cb 0.06 -2.27 0.08 0.00 0.03 0.00 0.00 46.19 44.09 3hko s LEU 101 CO 0.85 -0.18 0.41 0.21 0.23 0.00 0.00 176.35 177.87 3hko s ASN 102 N 1.71 6.15 -0.17 2.29 2.47 0.17 -4.38 114.94 123.19 3hko s ASN 102 Ca 0.10 -1.37 -0.05 0.00 0.42 0.00 0.00 52.86 51.97 3hko s ASN 102 Cb -0.16 -2.19 -0.03 0.00 -1.45 0.00 0.00 41.25 37.42 3hko s ASN 102 CO 0.11 -0.67 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.11 3hko s VAL 103 N 1.66 4.09 0.10 -5.21 1.01 -1.26 -0.99 120.40 119.80 3hko s VAL 103 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 3hko s VAL 103 Cb -0.25 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.39 3hko s VAL 103 CO 0.06 0.47 0.62 0.72 0.00 0.00 0.00 175.10 176.98 3hko s PHE 104 N 0.48 -0.57 -0.33 5.22 -0.12 -0.82 -4.98 117.98 116.86 3hko s PHE 104 Ca -0.02 0.55 -0.22 0.00 -0.05 0.00 0.00 56.93 57.19 3hko s PHE 104 Cb -0.14 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 3hko s PHE 104 CO 0.02 -0.78 0.73 0.42 -0.05 0.00 0.00 175.22 175.56 3hko s ILE 105 N -3.03 4.82 -0.24 -4.49 1.01 -1.26 0.59 121.20 118.60 3hko s ILE 105 Ca -0.02 0.93 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 3hko s ILE 105 Cb -0.01 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3hko s ILE 105 CO -0.06 -0.29 1.69 -0.62 0.00 0.00 0.00 174.94 175.65 3hko s ASP 106 N 1.72 6.24 0.40 3.58 -1.08 0.41 -4.90 116.67 123.02 3hko s ASP 106 Ca 0.29 1.59 0.08 0.00 -0.52 0.00 0.00 52.55 53.99 3hko s ASP 106 Cb -0.14 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.64 3hko s ASP 106 CO 0.14 -1.38 2.00 -2.24 0.52 0.00 0.00 175.17 174.21 3hko h ASP 107 N 11.35 0.52 0.95 -0.34 3.04 -1.95 0.14 116.42 130.13 3hko h ASP 107 Ca -0.34 -0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.35 3hko h ASP 107 Cb 1.16 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 39.32 3hko h ASP 107 CO 1.01 0.35 -0.46 0.77 -2.04 0.00 0.00 179.24 178.86 3hko h SER 108 N 0.60 0.00 0.00 4.15 4.64 -1.96 -3.30 113.55 117.69 3hko h SER 108 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3hko h SER 108 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hko h SER 108 CO -0.07 0.46 -1.14 0.35 -0.87 0.00 0.00 176.83 175.57 3hko n THR 109 N -3.49 0.00 -0.96 2.95 -2.24 -1.06 -5.00 114.28 104.48 3hko n THR 109 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3hko n THR 109 Cb 0.59 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3hko n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hko n GLY 110 N 1.81 0.52 3.92 3.38 0.00 0.45 -5.02 105.19 110.24 3hko n GLY 110 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3hko n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hko s LYS 111 N -0.37 3.39 0.37 1.61 1.02 -1.23 -4.84 119.74 119.71 3hko s LYS 111 Ca 0.00 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.19 3hko s LYS 111 Cb 0.00 -2.99 -0.10 0.00 -0.52 0.00 0.00 37.83 34.22 3hko s LYS 111 CO 0.00 0.57 1.37 0.00 -0.92 0.00 0.00 175.35 176.38 3hko s ALA 113 N -1.16 1.99 -0.03 0.00 0.00 0.20 -4.81 121.76 117.94 3hko s ALA 113 Ca 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3hko s ALA 113 Cb -0.42 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.56 3hko s ALA 113 CO 0.56 0.21 -0.00 1.41 0.00 0.00 0.00 175.76 177.93 3hko s MET 114 N -2.91 0.31 -0.03 0.00 0.00 -1.26 -1.95 119.30 113.45 3hko s MET 114 Ca 0.16 0.07 0.03 0.00 0.00 0.00 0.00 55.69 55.95 3hko s MET 114 Cb -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 34.83 34.27 3hko s MET 114 CO 0.07 -0.13 -0.10 -0.51 0.00 0.00 0.00 175.02 174.34 3hko s ASP 115 N 1.00 4.35 -0.20 1.11 1.01 -0.16 -1.56 116.67 122.22 3hko s ASP 115 Ca -0.10 -0.15 -0.14 0.00 0.71 0.00 0.00 52.55 52.86 3hko s ASP 115 Cb -0.14 -0.98 -0.04 0.00 1.01 0.00 0.00 42.92 42.77 3hko s ASP 115 CO -0.02 0.33 0.33 -0.69 0.21 0.00 0.00 175.17 175.33 3hko s VAL 116 N -0.85 5.25 -0.14 -1.27 1.01 -0.16 0.45 120.40 124.69 3hko s VAL 116 Ca 0.14 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 3hko s VAL 116 Cb -0.11 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3hko s VAL 116 CO 0.03 0.29 0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3hko s VAL 117 N 1.12 4.62 -0.31 2.92 1.01 0.24 -0.96 120.40 129.04 3hko s VAL 117 Ca 0.16 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 3hko s VAL 117 Cb -0.14 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3hko s VAL 117 CO 0.07 0.54 1.01 -0.75 0.00 0.00 0.00 175.10 175.96 3hko s LYS 118 N -0.29 4.05 0.40 2.72 2.47 -0.79 -4.65 119.74 123.65 3hko s LYS 118 Ca 0.08 0.98 -0.09 0.00 -1.56 0.00 0.00 55.97 55.37 3hko s LYS 118 Cb -0.12 -3.73 -0.06 0.00 -1.46 0.00 0.00 37.83 32.46 3hko s LYS 118 CO 0.02 -0.84 0.74 0.95 0.16 0.00 0.00 175.35 176.38 3hko s THR 119 N 3.47 4.84 -0.52 3.43 -4.23 -1.26 -4.58 115.64 116.77 3hko s THR 119 Ca 0.42 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 3hko s THR 119 Cb -0.13 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.22 3hko s THR 119 CO 0.14 -0.53 0.66 0.00 -0.54 0.00 0.00 174.62 174.36 3hko n GLN 120 N -1.36 1.76 -0.02 3.99 6.02 -1.26 -4.84 117.38 121.67 3hko n GLN 120 Ca 0.02 -4.04 -0.03 0.00 -0.01 0.00 0.00 57.00 52.95 3hko n GLN 120 Cb 0.54 -1.80 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 3hko n GLN 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hko n ILE 121 N 1.00 0.25 -3.34 5.09 5.41 -1.26 -5.03 119.36 121.48 3hko n ILE 121 Ca 0.26 -0.12 -0.38 0.00 1.00 0.00 0.00 62.75 63.51 3hko n ILE 121 Cb 0.47 -0.76 -0.06 0.00 -0.71 0.00 0.00 39.64 38.57 3hko n ILE 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hko n PRO 123 N 4.01 3.35 -1.35 0.00 -0.04 -1.26 -4.64 135.00 135.06 3hko n PRO 123 Ca -0.07 -2.42 -0.30 0.00 -0.04 0.00 0.00 63.50 60.66 3hko n PRO 123 Cb 0.51 -1.81 0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3hko n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hko h PRO 125 N -1.22 0.76 -0.04 0.00 0.11 -1.99 -0.29 132.00 129.33 3hko h PRO 125 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hko h PRO 125 Cb 1.26 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hko h PRO 125 CO 0.55 0.50 0.00 0.93 -0.21 0.00 0.00 178.00 179.78 3hko h GLU 126 N 0.78 0.08 -0.79 1.05 5.08 -1.98 -0.83 114.58 117.97 3hko h GLU 126 Ca 0.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3hko h GLU 126 Cb -0.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3hko h GLU 126 CO -0.05 0.35 0.44 0.00 -1.00 0.00 0.00 179.01 178.75 3hko h ASN 128 N 1.09 -0.02 -0.42 0.00 2.35 -0.96 -1.48 115.58 116.14 3hko h ASN 128 Ca 0.28 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3hko h ASN 128 Cb 0.02 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3hko h ASN 128 CO -0.05 0.02 0.22 -0.08 -1.65 0.00 0.00 177.43 175.90 3hko h GLU 129 N 0.14 0.59 -0.54 0.81 4.81 -0.88 -2.08 114.58 117.43 3hko h GLU 129 Ca 0.13 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3hko h GLU 129 Cb 0.15 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3hko h GLU 129 CO -0.18 0.49 -0.03 0.93 -0.73 0.00 0.00 179.01 179.48 3hko h GLU 130 N 0.54 0.94 -0.22 1.92 5.08 -1.25 -2.77 114.58 118.82 3hko h GLU 130 Ca 0.15 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3hko h GLU 130 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hko h GLU 130 CO -0.02 0.95 0.03 0.00 -1.00 0.00 0.00 179.01 178.97 3hko h ALA 131 N 1.10 0.29 0.00 3.43 0.00 -1.00 -1.98 119.26 121.10 3hko h ALA 131 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hko h ALA 131 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hko h ALA 131 CO 0.03 -0.03 -0.14 -0.84 0.00 0.00 0.00 179.25 178.27 3hko h ILE 132 N 0.16 0.28 0.00 0.00 3.07 -1.38 -3.18 117.51 116.46 3hko h ILE 132 Ca 0.06 -1.10 0.00 0.00 1.55 0.00 0.00 64.86 65.37 3hko h ILE 132 Cb 0.33 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 3hko h ILE 132 CO 0.01 0.13 -1.34 0.59 -1.05 0.00 0.00 178.15 176.49 3hko n ASN 133 N -3.19 0.49 -1.55 2.16 5.03 -1.05 -5.01 115.26 112.14 3hko n ASN 133 Ca 0.02 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.37 3hko n ASN 133 Cb 0.48 1.14 0.00 0.00 -1.02 0.00 0.00 39.78 40.38 3hko n ASN 133 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hko n GLY 134 N 1.31 3.22 3.06 7.41 0.00 -0.75 -5.09 105.19 114.34 3hko n GLY 134 Ca -0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 3hko n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hko s SER 135 N -0.81 -0.13 0.54 1.61 0.01 -1.26 -4.96 113.70 108.70 3hko s SER 135 Ca 0.00 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.51 3hko s SER 135 Cb 0.00 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.56 3hko s SER 135 CO 0.00 -0.12 0.21 -0.63 0.41 0.00 0.00 173.24 173.11 3hko s ILE 136 N -0.22 1.31 -4.42 1.44 1.01 -1.26 -5.15 121.20 113.89 3hko s ILE 136 Ca -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 60.65 58.88 3hko s ILE 136 Cb -0.03 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3hko s ILE 136 CO 0.01 0.00 0.00 0.49 0.00 0.00 0.00 174.94 175.44 3hko n PHE 139 N -1.56 0.00 -4.01 3.97 3.72 -1.26 -5.23 117.46 113.09 3hko n PHE 139 Ca -0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.95 3hko n PHE 139 Cb 0.66 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.05 3hko n PHE 139 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hko s ARG 140 N -1.77 2.72 -0.27 -1.08 0.52 -1.26 -1.89 118.95 115.92 3hko s ARG 140 Ca 0.00 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 54.07 3hko s ARG 140 Cb 0.00 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 3hko s ARG 140 CO 0.00 -0.41 0.14 -1.21 0.02 0.00 0.00 175.30 173.85 3hko s GLU 141 N 1.27 3.77 0.16 3.54 8.01 -0.13 -4.91 118.70 130.41 3hko s GLU 141 Ca -0.01 -0.43 -0.30 0.00 0.01 0.00 0.00 54.97 54.24 3hko s GLU 141 Cb -0.17 -3.53 -0.07 0.00 -4.31 0.00 0.00 34.13 26.05 3hko s GLU 141 CO -0.06 -0.22 1.00 0.45 0.01 0.00 0.00 175.26 176.45 3hko s SER 142 N 1.69 7.45 -0.13 -0.19 0.15 -1.26 -0.99 113.70 120.42 3hko s SER 142 Ca 0.07 1.92 -0.02 0.00 0.70 0.00 0.00 55.95 58.61 3hko s SER 142 Cb -0.16 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 3hko s SER 142 CO 0.08 -0.08 -0.04 -0.76 1.20 0.00 0.00 173.24 173.64 3hko s LEU 143 N -0.34 3.27 1.07 3.45 1.43 -0.60 -4.98 118.68 121.97 3hko s LEU 143 Ca 0.47 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 3hko s LEU 143 Cb -0.26 -1.76 0.24 0.00 0.03 0.00 0.00 46.19 44.43 3hko s LEU 143 CO 0.32 0.24 1.20 1.51 0.23 0.00 0.00 176.35 179.85 3hko s ASP 144 N -0.07 2.10 0.19 2.29 1.47 -1.26 -4.55 116.67 116.83 3hko s ASP 144 Ca 0.02 0.51 -0.12 0.00 1.18 0.00 0.00 52.55 54.14 3hko s ASP 144 Cb -0.13 -0.70 0.21 0.00 -0.34 0.00 0.00 42.92 41.95 3hko s ASP 144 CO 0.03 -3.39 1.74 0.15 0.68 0.00 0.00 175.17 174.38 3hko h PHE 145 N -2.08 0.32 -0.19 2.11 3.57 -1.99 -0.26 116.94 118.41 3hko h PHE 145 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 3hko h PHE 145 Cb 1.27 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3hko h PHE 145 CO -1.48 0.09 0.03 0.28 -2.23 0.00 0.00 178.31 175.00 3hko h VAL 146 N 0.36 1.22 -0.68 1.41 2.07 -2.00 -2.23 116.25 116.40 3hko h VAL 146 Ca 0.26 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hko h VAL 146 Cb 0.30 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3hko h VAL 146 CO -0.27 0.22 0.42 1.56 0.02 0.00 0.00 177.57 179.53 3hko h GLN 147 N 0.11 0.91 0.32 1.57 4.20 -1.85 -1.25 115.11 119.12 3hko h GLN 147 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3hko h GLN 147 Cb 0.30 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3hko h GLN 147 CO 0.00 0.63 -0.17 0.00 -0.67 0.00 0.00 178.83 178.62 3hko h ARG 148 N 0.92 -0.44 -0.52 1.46 3.08 -0.97 -0.63 114.38 117.29 3hko h ARG 148 Ca 0.24 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3hko h ARG 148 Cb -0.06 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3hko h ARG 148 CO -0.05 -0.29 0.04 0.93 -1.07 0.00 0.00 179.97 179.53 3hko h GLU 149 N -0.45 0.84 -0.25 0.04 5.08 -1.29 0.11 114.58 118.66 3hko h GLU 149 Ca -0.04 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3hko h GLU 149 Cb 0.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hko h GLU 149 CO 0.05 0.82 0.08 -0.22 -1.00 0.00 0.00 179.01 178.74 3hko h LYS 150 N 0.79 0.38 -0.12 2.33 3.64 -1.12 0.13 116.57 122.61 3hko h LYS 150 Ca 0.16 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hko h LYS 150 Cb 0.42 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3hko h LYS 150 CO 0.01 0.46 0.01 1.25 -2.27 0.00 0.00 179.45 178.92 3hko h LEU 151 N 0.23 0.20 -0.54 5.20 5.85 -0.80 -1.62 115.31 123.83 3hko h LEU 151 Ca 0.08 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3hko h LEU 151 Cb 0.24 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3hko h LEU 151 CO -0.00 0.43 0.32 0.40 -0.34 0.00 0.00 178.44 179.25 3hko h ILE 152 N -0.04 1.16 -0.97 4.05 2.04 -0.72 -0.79 117.51 122.23 3hko h ILE 152 Ca 0.04 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3hko h ILE 152 Cb 0.32 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3hko h ILE 152 CO 0.00 0.17 0.63 0.77 0.00 0.00 0.00 178.15 179.72 3hko h SER 153 N 0.72 1.04 -0.59 1.72 4.64 -0.89 0.99 113.55 121.18 3hko h SER 153 Ca 0.19 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3hko h SER 153 Cb -0.01 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3hko h SER 153 CO -0.04 0.70 0.22 -1.13 -0.87 0.00 0.00 176.83 175.72 3hko h ASN 154 N 1.20 0.83 -0.30 4.97 -1.24 -0.48 0.33 115.58 120.89 3hko h ASN 154 Ca 0.39 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 57.25 3hko h ASN 154 Cb 0.04 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 3hko h ASN 154 CO -0.13 0.78 0.14 0.40 -1.29 0.00 0.00 177.43 177.33 3hko h ILE 155 N 0.82 0.98 -0.24 2.57 1.08 -0.50 -2.67 117.51 119.55 3hko h ILE 155 Ca 0.20 -0.10 -0.09 0.00 -0.39 0.00 0.00 64.86 64.48 3hko h ILE 155 Cb 0.23 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 3hko h ILE 155 CO -0.01 0.05 -0.21 0.24 -0.69 0.00 0.00 178.15 177.53 3hko h MET 156 N 0.30 0.45 -0.66 2.37 2.86 -0.42 -1.55 114.93 118.29 3hko h MET 156 Ca 0.12 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3hko h MET 156 Cb 0.05 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3hko h MET 156 CO -0.09 0.64 0.40 -0.09 1.06 0.00 0.00 176.91 178.82 3hko h ARG 157 N 0.40 0.74 -0.41 1.72 2.43 -0.70 0.11 114.38 118.68 3hko h ARG 157 Ca 0.06 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3hko h ARG 157 Cb 0.60 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3hko h ARG 157 CO 0.04 0.49 -0.12 1.96 -1.51 0.00 0.00 179.97 180.83 3hko h GLN 158 N 0.77 0.80 -0.24 0.20 4.20 -1.11 -0.21 115.11 119.52 3hko h GLN 158 Ca 0.27 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hko h GLN 158 Cb 0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3hko h GLN 158 CO -0.12 0.93 0.14 0.82 -0.67 0.00 0.00 178.83 179.93 3hko h ILE 159 N 0.61 1.09 -0.11 2.54 2.04 -0.94 -1.60 117.51 121.15 3hko h ILE 159 Ca 0.10 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3hko h ILE 159 Cb 0.65 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3hko h ILE 159 CO 0.04 0.09 -0.35 -0.26 0.00 0.00 0.00 178.15 177.67 3hko h PHE 160 N 0.30 0.26 -0.29 1.37 0.04 -0.94 -0.79 116.94 116.90 3hko h PHE 160 Ca 0.09 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3hko h PHE 160 Cb 0.02 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3hko h PHE 160 CO -0.05 0.55 0.15 1.03 -0.60 0.00 0.00 178.31 179.39 3hko h SER 161 N 0.20 0.37 -0.34 2.17 0.87 -0.85 0.12 113.55 116.09 3hko h SER 161 Ca 0.02 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3hko h SER 161 Cb 0.71 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3hko h SER 161 CO 0.05 0.38 0.21 0.00 -0.53 0.00 0.00 176.83 176.94 3hko h ALA 162 N 1.01 0.44 -0.46 6.23 0.00 -1.01 -2.31 119.26 123.16 3hko h ALA 162 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hko h ALA 162 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hko h ALA 162 CO -0.01 -0.07 0.16 -0.07 0.00 0.00 0.00 179.25 179.26 3hko h LEU 163 N 0.45 0.66 -0.58 0.00 3.38 -0.99 -0.06 115.31 118.17 3hko h LEU 163 Ca 0.12 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hko h LEU 163 Cb 0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3hko h LEU 163 CO -0.02 0.67 0.29 -0.74 0.09 0.00 0.00 178.44 178.73 3hko h HIS 164 N 0.61 0.52 0.18 1.13 2.76 -0.66 0.17 115.15 119.87 3hko h HIS 164 Ca 0.15 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3hko h HIS 164 Cb 0.24 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3hko h HIS 164 CO 0.01 0.24 -0.09 -0.92 -1.30 0.00 0.00 177.93 175.87 3hko h TYR 165 N 0.54 -0.23 -0.24 5.26 3.20 -1.17 -1.09 116.97 123.25 3hko h TYR 165 Ca 0.26 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3hko h TYR 165 Cb 0.20 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3hko h TYR 165 CO -0.11 -0.08 0.00 1.25 -1.64 0.00 0.00 178.16 177.59 3hko h LEU 166 N -0.33 -0.09 -0.92 2.82 5.85 -0.58 -0.63 115.31 121.43 3hko h LEU 166 Ca -0.03 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3hko h LEU 166 Cb 0.25 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3hko h LEU 166 CO 0.04 -0.02 0.12 0.45 -0.34 0.00 0.00 178.44 178.69 3hko h HIS 167 N 0.07 0.95 0.00 1.25 3.86 -0.62 -0.70 115.15 119.97 3hko h HIS 167 Ca 0.11 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 3hko h HIS 167 Cb 0.14 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3hko h HIS 167 CO -0.19 0.80 -0.23 -0.91 0.86 0.00 0.00 177.93 178.26 3hko h ASN 168 N 0.87 0.00 0.01 2.45 4.21 -0.83 -0.90 115.58 121.39 3hko h ASN 168 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 3hko h ASN 168 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 3hko h ASN 168 CO 0.00 0.23 -0.00 0.00 -1.29 0.00 0.00 177.43 176.38 3hko n GLN 169 N -3.47 1.08 -2.28 0.81 1.13 -0.28 -4.93 117.38 109.45 3hko n GLN 169 Ca -0.00 -0.14 -0.04 0.00 -1.94 0.00 0.00 57.00 54.87 3hko n GLN 169 Cb 0.41 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.26 3hko n GLN 169 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hko n GLY 170 N 1.03 0.34 3.26 1.08 0.00 -0.34 -4.98 105.19 105.59 3hko n GLY 170 Ca 0.23 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3hko n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hko s ILE 171 N -2.48 2.21 -0.22 -0.61 1.01 -0.35 -0.69 121.20 120.07 3hko s ILE 171 Ca 0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 3hko s ILE 171 Cb -0.02 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3hko s ILE 171 CO 0.05 0.56 0.27 0.00 0.00 0.00 0.00 174.94 175.81 3hko h HIS 173 N 7.41 -0.02 0.00 0.00 2.76 -1.91 -0.73 115.15 122.67 3hko h HIS 173 Ca -0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3hko h HIS 173 Cb 1.17 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3hko h HIS 173 CO 0.67 0.73 0.00 0.54 -1.30 0.00 0.00 177.93 178.57 3hko n ARG 174 N -4.72 -0.13 -2.68 5.26 1.74 -1.26 -2.83 116.66 112.05 3hko n ARG 174 Ca -0.09 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 3hko n ARG 174 Cb 0.37 -3.32 0.06 0.00 -1.02 0.00 0.00 32.46 28.54 3hko n ARG 174 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hko n ASP 175 N -0.06 0.51 -4.62 0.55 2.03 -1.26 -4.19 116.55 109.50 3hko n ASP 175 Ca 0.00 -2.62 -0.43 0.00 0.52 0.00 0.00 54.79 52.26 3hko n ASP 175 Cb 0.03 -0.10 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 3hko n ASP 175 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hko s ILE 176 N -2.20 4.25 0.13 5.18 -1.09 -1.26 -4.84 121.20 121.37 3hko s ILE 176 Ca 0.25 1.39 -0.24 0.00 -2.23 0.00 0.00 60.65 59.82 3hko s ILE 176 Cb 0.44 -4.33 0.07 0.00 -1.58 0.00 0.00 42.46 37.06 3hko s ILE 176 CO 0.00 -0.60 0.64 -1.59 -1.23 0.00 0.00 174.94 172.15 3hko s LYS 177 N 4.12 1.22 0.40 2.79 -2.85 -1.26 -4.70 119.74 119.46 3hko s LYS 177 Ca 0.52 -0.41 0.08 0.00 -1.00 0.00 0.00 55.97 55.16 3hko s LYS 177 Cb -0.13 0.56 0.87 0.00 -2.06 0.00 0.00 37.83 37.07 3hko s LYS 177 CO 0.23 -0.52 2.01 -1.35 0.10 0.00 0.00 175.35 175.82 3hko h PRO 178 N 2.06 0.56 0.00 1.78 0.11 -1.94 -1.76 132.00 132.81 3hko h PRO 178 Ca -0.32 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3hko h PRO 178 Cb 1.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hko h PRO 178 CO 0.37 0.37 -0.06 0.93 -0.21 0.00 0.00 178.00 179.40 3hko h GLU 179 N 0.58 0.00 -0.02 1.05 3.07 -1.97 -2.30 114.58 114.98 3hko h GLU 179 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3hko h GLU 179 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3hko h GLU 179 CO -0.06 0.06 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 3hko n ASN 180 N -4.07 0.98 -4.40 1.42 3.02 -0.66 -4.76 115.26 106.79 3hko n ASN 180 Ca -0.03 -1.36 -0.33 0.00 -0.03 0.00 0.00 54.58 52.83 3hko n ASN 180 Cb 0.15 -0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 3hko n ASN 180 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hko s PHE 181 N -1.98 2.82 0.06 3.10 0.40 -0.86 -1.25 117.98 120.27 3hko s PHE 181 Ca 0.40 -0.53 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 3hko s PHE 181 Cb 0.21 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 3hko s PHE 181 CO 0.33 -0.13 -0.25 -0.51 0.70 0.00 0.00 175.22 175.36 3hko s LEU 182 N 0.18 2.27 0.06 -0.37 1.43 -0.29 -1.63 118.68 120.33 3hko s LEU 182 Ca -0.07 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 3hko s LEU 182 Cb -0.15 -1.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 3hko s LEU 182 CO 0.05 0.24 1.08 -0.36 0.23 0.00 0.00 176.35 177.59 3hko s PHE 183 N -0.87 3.57 0.23 0.29 0.40 0.00 -0.72 117.98 120.89 3hko s PHE 183 Ca 0.13 1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 57.93 3hko s PHE 183 Cb -0.10 -3.26 0.36 0.00 0.51 0.00 0.00 43.02 40.53 3hko s PHE 183 CO 0.03 -0.58 1.77 0.77 0.70 0.00 0.00 175.22 177.91 3hko h SER 184 N 6.50 0.43 -4.34 1.36 0.02 -1.48 0.10 113.55 116.13 3hko h SER 184 Ca -0.42 0.07 -0.35 0.00 -0.84 0.00 0.00 61.79 60.25 3hko h SER 184 Cb 1.22 -0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 3hko h SER 184 CO 0.77 0.24 -0.26 0.35 -1.14 0.00 0.00 176.83 176.78 3hko n THR 185 N -4.89 0.00 1.47 -2.27 -2.24 -1.26 -0.46 114.28 104.63 3hko n THR 185 Ca 0.12 -2.05 0.14 0.00 -2.27 0.00 0.00 64.05 59.99 3hko n THR 185 Cb 0.30 1.16 0.53 0.00 -2.10 0.00 0.00 70.33 70.22 3hko n THR 185 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hko n ASN 186 N -1.63 1.15 -0.52 3.42 3.02 -1.26 -4.27 115.26 115.16 3hko n ASN 186 Ca 0.03 -1.21 0.12 0.00 -0.03 0.00 0.00 54.58 53.48 3hko n ASN 186 Cb 0.61 0.03 0.11 0.00 -0.61 0.00 0.00 39.78 39.91 3hko n ASN 186 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hko n LYS 187 N -0.24 1.34 -3.83 3.52 5.02 -1.26 -4.99 118.16 117.72 3hko n LYS 187 Ca 0.17 -1.05 -0.08 0.00 -2.02 0.00 0.00 58.31 55.33 3hko n LYS 187 Cb 0.32 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3hko n LYS 187 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hko s SER 188 N -2.38 -0.12 -0.17 4.39 1.04 -1.26 -5.05 113.70 110.15 3hko s SER 188 Ca 0.22 -0.86 0.16 0.00 0.48 0.00 0.00 55.95 55.95 3hko s SER 188 Cb 0.19 0.77 0.68 0.00 0.10 0.00 0.00 66.02 67.76 3hko s SER 188 CO 0.51 -1.49 1.60 0.49 0.98 0.00 0.00 173.24 175.33 3hko n PHE 189 N -0.50 1.50 -1.82 5.02 3.72 -1.26 -4.62 117.46 119.50 3hko n PHE 189 Ca -0.06 -0.72 -0.42 0.00 -0.05 0.00 0.00 57.45 56.20 3hko n PHE 189 Cb 0.59 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 3hko n PHE 189 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3hko s GLU 190 N -2.38 4.17 0.23 -1.08 2.56 -1.26 -4.87 118.70 116.07 3hko s GLU 190 Ca 0.48 2.49 0.10 0.00 0.00 0.00 0.00 54.97 58.04 3hko s GLU 190 Cb 0.35 -3.17 -0.04 0.00 2.00 0.00 0.00 34.13 33.27 3hko s GLU 190 CO 0.17 -0.70 -0.12 0.96 -0.56 0.00 0.00 175.26 175.01 3hko s ILE 191 N 1.35 2.96 -0.02 -3.70 -4.36 -1.26 -1.19 121.20 114.97 3hko s ILE 191 Ca 0.73 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 3hko s ILE 191 Cb -0.46 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 40.75 3hko s ILE 191 CO 0.32 -0.24 -0.05 -0.54 0.24 0.00 0.00 174.94 174.67 3hko s LYS 192 N -3.16 0.64 -0.10 0.37 1.02 0.10 -4.42 119.74 114.20 3hko s LYS 192 Ca 0.27 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 3hko s LYS 192 Cb -0.07 -0.65 -0.02 0.00 -0.52 0.00 0.00 37.83 36.57 3hko s LYS 192 CO 0.15 0.01 1.09 -1.17 -0.92 0.00 0.00 175.35 174.52 3hko s LEU 193 N 0.45 4.25 0.00 3.17 2.96 0.10 -1.14 118.68 128.47 3hko s LEU 193 Ca -0.06 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 3hko s LEU 193 Cb -0.09 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3hko s LEU 193 CO -0.00 -0.53 0.62 1.33 -1.32 0.00 0.00 176.35 176.45 3hko n VAL 194 N 4.66 0.25 -4.04 1.68 0.24 -0.38 -1.14 118.33 119.61 3hko n VAL 194 Ca 0.10 -0.61 -0.20 0.00 -2.04 0.00 0.00 64.34 61.59 3hko n VAL 194 Cb 0.47 0.89 -0.17 0.00 -1.47 0.00 0.00 33.84 33.57 3hko n VAL 194 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hko s ASP 195 N -0.25 0.97 -0.09 -1.34 -1.08 -1.26 -4.99 116.67 108.64 3hko s ASP 195 Ca 0.00 -0.10 0.13 0.00 -0.52 0.00 0.00 52.55 52.06 3hko s ASP 195 Cb 0.00 -0.40 0.26 0.00 -1.46 0.00 0.00 42.92 41.31 3hko s ASP 195 CO 0.00 -0.09 1.12 0.49 0.52 0.00 0.00 175.17 177.21 3hko n PHE 196 N 4.28 0.00 0.27 -5.34 3.72 -1.26 -4.89 117.46 114.24 3hko n PHE 196 Ca -0.22 -0.73 0.11 0.00 -0.05 0.00 0.00 57.45 56.56 3hko n PHE 196 Cb 0.51 -0.14 0.73 0.00 -0.94 0.00 0.00 39.48 39.63 3hko n PHE 196 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hko h GLY 197 N 0.36 0.00 -1.38 1.37 0.00 -1.91 -2.06 103.07 99.44 3hko h GLY 197 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3hko h GLY 197 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 3hko n LEU 198 N -4.01 2.56 -4.76 3.11 4.77 -1.26 -4.72 117.00 112.69 3hko n LEU 198 Ca -0.03 -1.28 -0.35 0.00 -0.03 0.00 0.00 56.01 54.33 3hko n LEU 198 Cb 0.16 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3hko n LEU 198 CO 0.31 0.52 0.80 -0.44 -1.33 0.00 0.00 177.39 177.25 3hko s SER 199 N -1.20 5.21 -0.12 -1.43 0.01 -0.77 -4.67 113.70 110.73 3hko s SER 199 Ca 0.22 2.24 -0.11 0.00 1.31 0.00 0.00 55.95 59.61 3hko s SER 199 Cb 0.14 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.82 3hko s SER 199 CO 0.20 -1.57 0.32 -0.75 0.41 0.00 0.00 173.24 171.85 3hko s LYS 200 N -3.54 0.37 0.30 12.44 2.20 -0.28 -4.93 119.74 126.30 3hko s LYS 200 Ca 0.74 0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 56.50 3hko s LYS 200 Cb -0.26 0.17 -0.10 0.00 -1.51 0.00 0.00 37.83 36.13 3hko s LYS 200 CO 0.34 -0.05 1.23 -1.21 -0.36 0.00 0.00 175.35 175.30 3hko s GLU 201 N 0.19 4.47 0.28 4.03 2.02 -1.26 -0.27 118.70 128.16 3hko s GLU 201 Ca -0.00 2.04 0.02 0.00 0.02 0.00 0.00 54.97 57.05 3hko s GLU 201 Cb -0.02 -3.13 0.61 0.00 0.10 0.00 0.00 34.13 31.68 3hko s GLU 201 CO 0.00 -0.04 1.78 0.74 0.02 0.00 0.00 175.26 177.76 3hko h PHE 202 N 3.75 0.92 0.00 1.61 0.05 -1.26 -0.96 116.94 121.06 3hko h PHE 202 Ca -0.48 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.35 3hko h PHE 202 Cb 1.22 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.90 3hko h PHE 202 CO 0.58 0.24 0.00 2.48 -0.18 0.00 0.00 178.31 181.42 3hko n TYR 203 N -4.80 0.01 0.61 -0.55 0.18 -1.26 -1.70 117.16 109.65 3hko n TYR 203 Ca 0.19 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.06 3hko n TYR 203 Cb 0.47 -0.51 -0.10 0.00 -0.38 0.00 0.00 39.34 38.82 3hko n TYR 203 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3hko n LYS 204 N -1.51 1.28 -1.74 -3.48 5.02 -0.38 -4.92 118.16 112.43 3hko n LYS 204 Ca 0.03 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3hko n LYS 204 Cb 0.15 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 3hko n LYS 204 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hko n LEU 205 N -1.55 4.26 -0.26 -0.35 4.77 -0.69 -1.42 117.00 121.76 3hko n LEU 205 Ca 0.02 1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 57.13 3hko n LEU 205 Cb 0.30 -1.58 -0.01 0.00 -2.33 0.00 0.00 43.42 39.80 3hko n LEU 205 CO 0.34 0.06 -0.03 0.59 -1.33 0.00 0.00 177.39 177.02 3hko n ASN 206 N 1.83 -3.95 0.00 -1.43 3.02 -1.26 -4.92 115.26 108.55 3hko n ASN 206 Ca 0.08 0.08 0.15 0.00 -0.03 0.00 0.00 54.58 54.86 3hko n ASN 206 Cb 0.36 -1.75 0.85 0.00 -0.61 0.00 0.00 39.78 38.63 3hko n ASN 206 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3hko n ASN 207 N 0.22 0.00 0.00 6.41 6.94 -0.51 -5.03 115.26 123.30 3hko n ASN 207 Ca -0.03 -0.71 0.00 0.00 -0.02 0.00 0.00 54.58 53.82 3hko n ASN 207 Cb 0.20 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3hko n ASN 207 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hko n GLY 208 N 0.96 0.83 0.00 4.83 0.00 -1.26 -5.17 105.19 105.38 3hko n GLY 208 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3hko n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hko n ALA 217 N 0.00 0.00 0.00 4.61 0.00 -1.26 -5.15 120.51 118.71 3hko n ALA 217 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hko n ALA 217 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hko n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hko n GLY 218 N 0.00 0.89 3.68 0.00 0.00 -1.26 -4.81 105.19 103.69 3hko n GLY 218 Ca 0.00 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 3hko n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hko s THR 219 N -0.97 4.31 0.32 2.61 2.01 -1.26 -4.93 115.64 117.73 3hko s THR 219 Ca 0.00 1.63 0.09 0.00 0.31 0.00 0.00 61.69 63.71 3hko s THR 219 Cb 0.00 -4.05 0.31 0.00 0.01 0.00 0.00 72.50 68.78 3hko s THR 219 CO 0.00 -0.02 1.76 -0.65 -0.69 0.00 0.00 174.62 175.02 3hko h PRO 220 N 7.49 0.63 -0.83 4.92 0.11 -1.96 -0.94 132.00 141.43 3hko h PRO 220 Ca -0.33 -0.04 0.17 0.00 0.11 0.00 0.00 66.00 65.91 3hko h PRO 220 Cb 1.15 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 3hko h PRO 220 CO 0.89 0.41 0.55 1.88 -0.21 0.00 0.00 178.00 181.52 3hko h TYR 221 N 0.64 0.55 -0.01 0.65 0.05 -1.92 -2.99 116.97 113.95 3hko h TYR 221 Ca 0.61 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.41 3hko h TYR 221 Cb 1.11 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.67 3hko h TYR 221 CO -0.00 0.19 -0.56 1.19 -1.05 0.00 0.00 178.16 177.92 3hko n PHE 222 N -4.50 0.00 -2.55 4.88 3.01 -0.37 -4.80 117.46 113.13 3hko n PHE 222 Ca 0.17 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.22 3hko n PHE 222 Cb 0.58 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.01 3hko n PHE 222 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3hko s VAL 223 N -2.25 3.90 0.47 -4.37 -7.23 -1.10 -3.88 120.40 105.94 3hko s VAL 223 Ca 0.10 1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 61.72 3hko s VAL 223 Cb 0.13 -4.07 -0.07 0.00 0.56 0.00 0.00 36.38 32.93 3hko s VAL 223 CO 0.55 0.30 1.13 0.00 -0.31 0.00 0.00 175.10 176.77 3hko s ALA 224 N -0.36 2.93 0.34 1.32 0.00 -1.26 -4.91 121.76 119.82 3hko s ALA 224 Ca 0.48 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.31 3hko s ALA 224 Cb -0.29 -3.35 0.61 0.00 0.00 0.00 0.00 23.12 20.09 3hko s ALA 224 CO 0.35 -0.58 1.98 -1.00 0.00 0.00 0.00 175.76 176.50 3hko h PRO 225 N 1.93 0.89 0.00 0.00 0.13 -1.95 -1.84 132.00 131.16 3hko h PRO 225 Ca -0.49 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 3hko h PRO 225 Cb 1.24 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3hko h PRO 225 CO 0.60 0.59 -0.19 1.05 -0.23 0.00 0.00 178.00 179.81 3hko h GLU 226 N 0.91 0.00 -0.03 0.86 9.09 -1.92 0.12 114.58 123.61 3hko h GLU 226 Ca 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 3hko h GLU 226 Cb 0.03 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3hko h GLU 226 CO -0.08 0.19 -0.02 0.28 0.05 0.00 0.00 179.01 179.44 3hko h VAL 227 N 0.00 1.35 0.00 -1.06 2.07 -1.73 -2.94 116.25 113.94 3hko h VAL 227 Ca -0.00 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 3hko h VAL 227 Cb 0.38 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3hko h VAL 227 CO 0.03 0.29 -0.10 -0.07 0.02 0.00 0.00 177.57 177.73 3hko h LEU 228 N -0.35 0.00 -2.37 2.57 3.38 -1.05 -2.92 115.31 114.56 3hko h LEU 228 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hko h LEU 228 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hko h LEU 228 CO 0.01 0.10 0.00 -3.20 0.09 0.00 0.00 178.44 175.44 3hko n ASN 229 N -4.37 3.52 -4.35 -0.43 5.15 0.39 -4.90 115.26 110.27 3hko n ASN 229 Ca -0.03 -2.14 -0.33 0.00 -0.60 0.00 0.00 54.58 51.49 3hko n ASN 229 Cb 0.18 -0.45 -0.15 0.00 -0.53 0.00 0.00 39.78 38.83 3hko n ASN 229 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hko s THR 230 N -1.42 2.92 0.28 -0.44 2.01 -1.11 -5.02 115.64 112.86 3hko s THR 230 Ca 0.41 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3hko s THR 230 Cb 0.23 -2.21 0.19 0.00 0.01 0.00 0.00 72.50 70.72 3hko s THR 230 CO 0.25 0.53 1.86 0.71 -0.69 0.00 0.00 174.62 177.28 3hko h THR 231 N 5.41 1.23 0.00 -0.82 1.35 -1.90 -3.46 112.91 114.71 3hko h THR 231 Ca -0.25 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3hko h THR 231 Cb 1.21 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3hko h THR 231 CO 0.54 0.28 0.00 -0.46 -0.25 0.00 0.00 175.52 175.63 3hko n ASN 232 N -4.32 0.00 -1.09 5.36 0.23 -1.26 -5.04 115.26 109.14 3hko n ASN 232 Ca 0.06 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.08 3hko n ASN 232 Cb 0.16 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.06 3hko n ASN 232 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hko n GLU 233 N 0.00 1.83 -2.03 -3.83 1.02 -1.26 -4.89 120.64 111.49 3hko n GLU 233 Ca 0.00 -3.25 -0.42 0.00 -0.02 0.00 0.00 57.16 53.46 3hko n GLU 233 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 3hko n GLU 233 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3hko n SER 234 N -1.11 4.26 -3.71 1.62 7.64 -1.26 -4.49 113.62 116.57 3hko n SER 234 Ca 0.31 -2.88 -0.10 0.00 1.01 0.00 0.00 58.87 57.21 3hko n SER 234 Cb 0.96 -1.67 -0.04 0.00 -1.01 0.00 0.00 64.21 62.45 3hko n SER 234 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3hko s TYR 235 N 3.29 -0.11 0.53 1.43 1.13 -1.26 -4.98 117.35 117.38 3hko s TYR 235 Ca 0.48 -0.22 0.04 0.00 -1.41 0.00 0.00 57.07 55.97 3hko s TYR 235 Cb 0.11 0.32 0.04 0.00 -1.10 0.00 0.00 41.96 41.33 3hko s TYR 235 CO -0.04 -0.84 0.37 0.41 -2.51 0.00 0.00 175.55 172.94 3hko n GLY 236 N -0.30 2.82 0.04 5.49 0.00 -1.26 -5.02 105.19 106.96 3hko n GLY 236 Ca -0.12 -2.30 0.05 0.00 0.00 0.00 0.00 46.02 43.65 3hko n GLY 236 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hko n PRO 237 N -1.71 0.04 0.12 1.61 -0.04 -1.26 -1.98 135.00 131.78 3hko n PRO 237 Ca -0.04 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 63.96 3hko n PRO 237 Cb 0.61 -1.60 0.47 0.00 -0.04 0.00 0.00 33.50 32.94 3hko n PRO 237 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hko n LYS 238 N -1.68 0.13 -0.07 0.54 5.02 -1.26 -0.74 118.16 120.09 3hko n LYS 238 Ca 0.01 0.54 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 3hko n LYS 238 Cb 0.08 -1.85 0.36 0.00 -0.02 0.00 0.00 35.03 33.60 3hko n LYS 238 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hko h ASP 240 N 0.71 0.65 -0.74 0.00 3.32 -1.19 -2.02 116.42 117.15 3hko h ASP 240 Ca 0.19 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 3hko h ASP 240 Cb -0.06 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3hko h ASP 240 CO -0.04 1.06 0.27 0.00 -1.72 0.00 0.00 179.24 178.81 3hko h ALA 241 N 0.96 0.97 -0.08 3.45 0.00 -1.46 -0.95 119.26 122.15 3hko h ALA 241 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hko h ALA 241 Cb 1.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3hko h ALA 241 CO 0.10 0.62 0.04 2.35 0.00 0.00 0.00 179.25 182.36 3hko h TRP 242 N 1.08 0.08 -0.96 0.00 2.91 -1.16 -0.87 115.95 117.04 3hko h TRP 242 Ca 0.25 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.34 3hko h TRP 242 Cb 0.25 -0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.81 3hko h TRP 242 CO 0.02 0.05 0.61 0.77 -1.03 0.00 0.00 178.44 178.86 3hko h SER 243 N 0.09 0.96 -0.33 2.65 0.02 -1.12 -0.16 113.55 115.66 3hko h SER 243 Ca 0.03 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3hko h SER 243 Cb 0.00 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3hko h SER 243 CO -0.02 0.61 -0.04 0.00 -1.14 0.00 0.00 176.83 176.24 3hko h ALA 244 N 1.45 1.13 -0.77 3.77 0.00 -0.93 -1.53 119.26 122.38 3hko h ALA 244 Ca 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hko h ALA 244 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hko h ALA 244 CO -0.18 0.55 0.33 0.78 0.00 0.00 0.00 179.25 180.73 3hko h GLY 245 N 0.96 1.21 0.98 0.00 0.00 0.35 0.60 103.07 107.17 3hko h GLY 245 Ca 0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3hko h GLY 245 CO 0.02 0.59 0.15 -2.08 0.00 0.00 0.00 176.54 175.22 3hko h VAL 246 N 1.11 1.24 -0.52 4.60 2.07 -0.62 -0.07 116.25 124.05 3hko h VAL 246 Ca 0.26 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3hko h VAL 246 Cb 0.17 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3hko h VAL 246 CO -0.03 0.30 0.34 0.25 0.02 0.00 0.00 177.57 178.45 3hko h LEU 247 N 0.71 0.61 -0.50 2.57 6.46 -1.08 -1.83 115.31 122.24 3hko h LEU 247 Ca 0.16 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3hko h LEU 247 Cb 0.30 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3hko h LEU 247 CO -0.00 0.45 0.31 0.25 -0.62 0.00 0.00 178.44 178.83 3hko h LEU 248 N 0.71 0.59 -0.53 2.25 5.85 -0.60 -1.48 115.31 122.10 3hko h LEU 248 Ca 0.19 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3hko h LEU 248 Cb -0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3hko h LEU 248 CO -0.04 0.46 0.30 -0.74 -0.34 0.00 0.00 178.44 178.07 3hko h HIS 249 N 0.68 0.55 -0.21 1.25 2.76 -0.77 0.58 115.15 119.99 3hko h HIS 249 Ca 0.18 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3hko h HIS 249 Cb -0.04 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 3hko h HIS 249 CO -0.03 0.29 0.13 1.25 -1.30 0.00 0.00 177.93 178.27 3hko h LEU 250 N 0.58 0.23 -0.78 0.26 5.85 -1.05 0.32 115.31 120.72 3hko h LEU 250 Ca 0.23 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3hko h LEU 250 Cb 0.09 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3hko h LEU 250 CO -0.13 0.17 0.39 -0.07 -0.34 0.00 0.00 178.44 178.46 3hko h LEU 251 N 0.27 1.00 0.14 2.25 3.38 -0.85 0.35 115.31 121.85 3hko h LEU 251 Ca 0.08 -0.12 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 3hko h LEU 251 Cb -0.03 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.49 3hko h LEU 251 CO -0.02 0.84 -1.30 -0.07 0.09 0.00 0.00 178.44 177.98 3hko h LEU 252 N 1.09 0.71 0.00 1.67 3.38 -0.67 -3.39 115.31 118.11 3hko h LEU 252 Ca 0.27 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hko h LEU 252 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hko h LEU 252 CO -0.04 1.54 -1.34 0.23 0.09 0.00 0.00 178.44 178.92 3hko n MET 253 N -3.69 1.00 -0.69 1.13 2.81 0.11 -4.67 117.12 113.13 3hko n MET 253 Ca -0.13 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 3hko n MET 253 Cb 1.03 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 3hko n MET 253 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hko n GLY 254 N 1.48 0.79 3.39 3.03 0.00 0.11 -4.39 105.19 109.60 3hko n GLY 254 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3hko n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hko s ALA 255 N -2.95 -1.30 0.66 4.61 0.00 -1.23 -4.65 121.76 116.90 3hko s ALA 255 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 3hko s ALA 255 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3hko s ALA 255 CO 0.00 -0.42 1.11 0.14 0.00 0.00 0.00 175.76 176.59 3hko s VAL 256 N -1.89 3.27 -0.18 0.00 -7.23 -1.26 -3.55 120.40 109.56 3hko s VAL 256 Ca -0.08 0.58 0.29 0.00 -1.81 0.00 0.00 61.98 60.96 3hko s VAL 256 Cb -0.01 -3.11 0.36 0.00 0.56 0.00 0.00 36.38 34.18 3hko s VAL 256 CO 0.03 -0.37 1.83 1.55 -0.31 0.00 0.00 175.10 177.82 3hko h PRO 257 N -0.00 0.00 -2.31 4.82 0.13 -1.91 -3.36 132.00 129.38 3hko h PRO 257 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 3hko h PRO 257 Cb 1.24 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 3hko h PRO 257 CO 0.54 0.00 -0.78 1.19 -0.23 0.00 0.00 178.00 178.72 3hko n PHE 258 N -2.95 1.92 -2.68 1.56 3.01 -1.26 -5.03 117.46 112.03 3hko n PHE 258 Ca 0.02 -3.92 -0.43 0.00 1.01 0.00 0.00 57.45 54.13 3hko n PHE 258 Cb 0.37 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 3hko n PHE 258 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3hko n PRO 259 N 1.42 3.56 -1.91 -1.08 -0.04 -1.26 -4.78 135.00 130.91 3hko n PRO 259 Ca 0.26 -3.76 -0.35 0.00 -0.04 0.00 0.00 63.50 59.61 3hko n PRO 259 Cb 0.44 -2.94 0.04 0.00 -0.04 0.00 0.00 33.50 31.00 3hko n PRO 259 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hko s GLY 260 N 1.59 2.50 0.41 0.55 0.00 -1.26 -4.94 107.32 106.17 3hko s GLY 260 Ca 0.40 0.82 0.22 0.00 0.00 0.00 0.00 44.72 46.16 3hko s GLY 260 CO 0.01 1.20 1.77 -2.08 0.00 0.00 0.00 173.10 173.99 3hko h VAL 261 N 0.55 0.64 -3.69 1.40 2.07 -1.94 -3.44 116.25 111.84 3hko h VAL 261 Ca -0.49 -1.29 -0.16 0.00 0.82 0.00 0.00 66.70 65.58 3hko h VAL 261 Cb 1.28 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 3hko h VAL 261 CO 0.54 0.27 -0.03 0.54 0.02 0.00 0.00 177.57 178.92 3hko s ASN 262 N -6.27 0.49 0.24 0.57 2.20 -1.26 -5.03 114.94 105.88 3hko s ASN 262 Ca 0.01 -1.29 -0.05 0.00 -0.94 0.00 0.00 52.86 50.58 3hko s ASN 262 Cb 0.10 0.72 0.33 0.00 -2.00 0.00 0.00 41.25 40.39 3hko s ASN 262 CO 0.66 -1.41 1.86 0.44 -2.94 0.00 0.00 177.10 175.71 3hko h ASP 263 N 2.09 0.89 -0.53 3.54 3.32 -1.99 -0.01 116.42 123.73 3hko h ASP 263 Ca -0.29 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3hko h ASP 263 Cb 1.24 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3hko h ASP 263 CO 0.38 0.58 0.33 0.00 -1.72 0.00 0.00 179.24 178.82 3hko h ALA 264 N 1.40 0.68 -0.27 3.45 0.00 -1.99 0.96 119.26 123.49 3hko h ALA 264 Ca 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hko h ALA 264 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hko h ALA 264 CO -0.16 0.15 0.05 0.22 0.00 0.00 0.00 179.25 179.52 3hko h ASP 265 N 0.72 0.42 -0.19 0.00 -0.00 -1.79 -2.20 116.42 113.39 3hko h ASP 265 Ca 0.19 -0.25 0.02 0.00 -0.00 0.00 0.00 57.03 57.00 3hko h ASP 265 Cb -0.03 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.16 3hko h ASP 265 CO -0.04 0.56 0.04 0.74 -0.00 0.00 0.00 179.24 180.55 3hko h THR 266 N 0.27 0.93 -0.71 2.25 2.02 -0.67 -1.40 112.91 115.60 3hko h THR 266 Ca 0.08 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3hko h THR 266 Cb 0.31 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3hko h THR 266 CO 0.00 0.02 0.43 0.40 0.37 0.00 0.00 175.52 176.75 3hko h ILE 267 N 0.12 1.06 -0.61 3.11 2.04 -0.77 -0.63 117.51 121.84 3hko h ILE 267 Ca 0.08 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3hko h ILE 267 Cb 0.07 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3hko h ILE 267 CO -0.10 0.15 0.33 -1.28 0.00 0.00 0.00 178.15 177.24 3hko h SER 268 N 0.83 0.76 -0.55 1.72 0.87 -1.12 -1.51 113.55 114.55 3hko h SER 268 Ca 0.29 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3hko h SER 268 Cb 0.07 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3hko h SER 268 CO -0.13 0.64 0.07 1.56 -0.53 0.00 0.00 176.83 178.44 3hko h GLN 269 N 0.82 0.92 -0.43 2.24 4.20 -0.62 0.16 115.11 122.41 3hko h GLN 269 Ca 0.21 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hko h GLN 269 Cb 0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3hko h GLN 269 CO -0.03 0.90 0.24 0.28 -0.67 0.00 0.00 178.83 179.55 3hko h VAL 270 N 0.81 1.01 -0.32 -0.54 2.07 -0.95 0.12 116.25 118.44 3hko h VAL 270 Ca 0.16 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3hko h VAL 270 Cb 0.44 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hko h VAL 270 CO 0.02 0.09 -0.40 -0.07 0.02 0.00 0.00 177.57 177.22 3hko h LEU 271 N 0.48 0.84 0.00 2.57 4.07 -1.04 -3.37 115.31 118.85 3hko h LEU 271 Ca 0.18 -0.38 -0.35 0.00 0.08 0.00 0.00 57.88 57.40 3hko h LEU 271 Cb 0.04 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.48 3hko h LEU 271 CO -0.10 1.13 -2.21 0.59 -1.08 0.00 0.00 178.44 176.77 3hko n ASN 272 N -4.04 0.24 -4.64 -0.43 5.03 0.54 -4.93 115.26 107.02 3hko n ASN 272 Ca -0.02 0.11 -0.43 0.00 0.87 0.00 0.00 54.58 55.11 3hko n ASN 272 Cb 0.54 0.71 -0.02 0.00 -1.02 0.00 0.00 39.78 39.99 3hko n ASN 272 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3hko s LYS 273 N -2.52 4.05 -0.41 3.52 2.20 0.39 -4.99 119.74 121.99 3hko s LYS 273 Ca -0.09 1.10 -0.22 0.00 -0.36 0.00 0.00 55.97 56.40 3hko s LYS 273 Cb 0.07 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3hko s LYS 273 CO 0.83 -0.92 0.72 0.21 -0.36 0.00 0.00 175.35 175.83 3hko s LYS 274 N 3.71 3.51 0.10 4.03 2.20 -1.26 -4.92 119.74 127.10 3hko s LYS 274 Ca 0.47 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.73 3hko s LYS 274 Cb -0.13 -3.89 -0.07 0.00 -1.51 0.00 0.00 37.83 32.24 3hko s LYS 274 CO 0.16 -0.96 1.30 -0.51 -0.36 0.00 0.00 175.35 174.99 3hko s LEU 275 N 3.03 4.37 -0.37 5.43 1.43 -1.26 -4.99 118.68 126.32 3hko s LEU 275 Ca 0.27 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 3hko s LEU 275 Cb -0.13 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.61 3hko s LEU 275 CO 0.19 -0.57 0.11 0.00 0.23 0.00 0.00 176.35 176.31 3hko n PHE 277 N 4.24 0.00 0.58 0.00 3.72 -1.26 -1.32 117.46 123.42 3hko n PHE 277 Ca 0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.51 3hko n PHE 277 Cb 0.41 -0.07 0.09 0.00 -0.94 0.00 0.00 39.48 38.97 3hko n PHE 277 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hko n GLU 278 N -0.05 1.49 -1.72 -1.08 4.71 -1.26 -4.85 120.64 117.88 3hko n GLU 278 Ca 0.00 -1.59 -0.43 0.00 -0.01 0.00 0.00 57.16 55.13 3hko n GLU 278 Cb 0.17 -1.33 -0.01 0.00 -1.01 0.00 0.00 31.44 29.26 3hko n GLU 278 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3hko n ASN 279 N 0.95 3.38 0.17 1.62 2.04 -0.44 -4.88 115.26 118.10 3hko n ASN 279 Ca 0.11 1.17 0.13 0.00 -0.44 0.00 0.00 54.58 55.54 3hko n ASN 279 Cb 0.43 -1.54 0.58 0.00 -2.53 0.00 0.00 39.78 36.73 3hko n ASN 279 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 3hko h PRO 280 N 3.99 0.00 -0.23 -0.53 0.13 -1.92 -2.76 132.00 130.69 3hko h PRO 280 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 3hko h PRO 280 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3hko h PRO 280 CO 0.73 0.00 0.16 -0.91 -0.23 0.00 0.00 178.00 177.75 3hko h ASN 281 N 0.00 0.14 0.36 1.44 2.35 -1.96 -2.37 115.58 115.54 3hko h ASN 281 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hko h ASN 281 Cb 0.28 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3hko h ASN 281 CO 0.00 0.10 0.00 -1.22 -1.65 0.00 0.00 177.43 174.66 3hko n TYR 282 N -4.50 0.00 0.13 1.19 4.01 -1.04 -3.26 117.16 113.69 3hko n TYR 282 Ca 0.01 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.95 3hko n TYR 282 Cb 0.19 -0.19 0.74 0.00 -0.31 0.00 0.00 39.34 39.76 3hko n TYR 282 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3hko h ASN 283 N 0.00 0.00 0.70 7.72 2.35 -1.64 -0.47 115.58 124.24 3hko h ASN 283 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hko h ASN 283 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3hko h ASN 283 CO 0.00 0.00 0.00 1.62 -1.65 0.00 0.00 177.43 177.40 3hko h VAL 284 N 0.00 0.00 -3.29 2.81 3.04 -1.80 -3.44 116.25 113.57 3hko h VAL 284 Ca 0.17 -0.33 -0.55 0.00 -1.01 0.00 0.00 66.70 64.97 3hko h VAL 284 Cb 1.08 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 3hko h VAL 284 CO -0.00 0.00 -0.21 -0.76 -1.01 0.00 0.00 177.57 175.59 3hko s LEU 285 N -5.83 4.20 0.71 3.16 1.43 -0.19 -5.08 118.68 117.08 3hko s LEU 285 Ca 0.00 0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 3hko s LEU 285 Cb 0.10 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3hko s LEU 285 CO 0.47 -0.03 1.18 -1.54 0.23 0.00 0.00 176.35 176.67 3hko n SER 286 N -0.13 1.38 -0.35 2.29 3.41 -1.26 -4.79 113.62 114.18 3hko n SER 286 Ca -0.01 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 3hko n SER 286 Cb 0.52 -1.50 0.30 0.00 -0.26 0.00 0.00 64.21 63.26 3hko n SER 286 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hko h PRO 287 N -0.05 0.83 -0.40 4.33 0.11 -1.95 -1.31 132.00 133.57 3hko h PRO 287 Ca -0.49 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3hko h PRO 287 Cb 1.33 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3hko h PRO 287 CO 0.50 0.55 0.07 -0.07 -0.21 0.00 0.00 178.00 178.83 3hko h LEU 288 N 0.85 0.63 -0.22 2.35 3.38 -1.99 -0.45 115.31 119.86 3hko h LEU 288 Ca 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3hko h LEU 288 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hko h LEU 288 CO -0.32 0.72 0.12 0.00 0.09 0.00 0.00 178.44 179.05 3hko h ALA 289 N 0.92 0.29 -0.63 1.53 0.00 -1.84 0.10 119.26 119.64 3hko h ALA 289 Ca 0.12 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hko h ALA 289 Cb 0.36 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3hko h ALA 289 CO 0.01 -0.17 0.28 -0.09 0.00 0.00 0.00 179.25 179.27 3hko h ARG 290 N 0.24 0.48 -0.46 0.00 2.43 -1.16 -0.26 114.38 115.65 3hko h ARG 290 Ca 0.08 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3hko h ARG 290 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3hko h ARG 290 CO -0.01 0.32 -0.23 0.22 -1.51 0.00 0.00 179.97 178.75 3hko h ASP 291 N 0.49 1.00 -0.22 -3.80 1.82 -0.63 -1.77 116.42 113.31 3hko h ASP 291 Ca 0.31 -0.39 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 3hko h ASP 291 Cb 0.33 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 3hko h ASP 291 CO -0.27 1.18 0.07 0.25 -1.61 0.00 0.00 179.24 178.86 3hko h LEU 292 N 0.83 0.32 -0.47 2.28 5.85 -0.39 -2.12 115.31 121.61 3hko h LEU 292 Ca 0.10 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3hko h LEU 292 Cb 0.81 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3hko h LEU 292 CO 0.07 0.43 0.05 -0.07 -0.34 0.00 0.00 178.44 178.58 3hko h LEU 293 N 0.18 -0.10 -1.49 2.25 3.38 -0.95 -1.35 115.31 117.23 3hko h LEU 293 Ca 0.07 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3hko h LEU 293 Cb 0.23 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hko h LEU 293 CO -0.00 -0.02 -0.15 0.77 0.09 0.00 0.00 178.44 179.13 3hko h SER 294 N 0.17 0.14 1.47 -0.43 4.64 -1.18 -0.06 113.55 118.31 3hko h SER 294 Ca 0.23 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hko h SER 294 Cb 0.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hko h SER 294 CO -0.35 0.31 -0.25 0.78 -0.87 0.00 0.00 176.83 176.45 3hko h ASN 295 N 0.15 0.00 0.23 4.97 2.35 -0.67 -3.18 115.58 119.43 3hko h ASN 295 Ca 0.03 -0.04 -0.34 0.00 -0.55 0.00 0.00 56.30 55.40 3hko h ASN 295 Cb 0.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 3hko h ASN 295 CO 0.02 0.02 -1.94 0.18 -1.65 0.00 0.00 177.43 174.07 3hko n LEU 296 N -2.58 2.04 -2.45 1.61 4.77 -0.58 -1.21 117.00 118.60 3hko n LEU 296 Ca 0.04 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.94 3hko n LEU 296 Cb 0.48 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3hko n LEU 296 CO 0.34 0.71 1.47 0.18 -1.33 0.00 0.00 177.39 178.75 3hko n LEU 297 N -3.32 7.44 -4.60 2.23 4.77 -0.08 -4.04 117.00 119.41 3hko n LEU 297 Ca -0.28 -4.32 -0.40 0.00 -0.03 0.00 0.00 56.01 50.98 3hko n LEU 297 Cb 1.05 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3hko n LEU 297 CO 0.43 1.54 0.28 0.21 -1.33 0.00 0.00 177.39 178.52 3hko s ASN 298 N -1.25 6.42 0.55 -1.43 3.84 -1.20 -4.85 114.94 117.02 3hko s ASN 298 Ca 0.57 0.37 0.30 0.00 0.21 0.00 0.00 52.86 54.31 3hko s ASN 298 Cb 0.45 -2.29 1.61 0.00 -0.55 0.00 0.00 41.25 40.47 3hko s ASN 298 CO -0.14 -0.38 2.13 0.03 -2.79 0.00 0.00 177.10 175.96 3hko h ARG 299 N 8.16 0.00 -6.64 0.43 3.08 -1.91 -3.40 114.38 114.11 3hko h ARG 299 Ca -0.28 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.21 3hko h ARG 299 Cb 1.13 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 3hko h ARG 299 CO 0.75 0.08 0.98 1.21 -1.07 0.00 0.00 179.97 181.91 3hko s ASN 300 N -6.05 6.50 0.19 7.04 3.84 -1.26 -4.91 114.94 120.30 3hko s ASN 300 Ca -0.03 0.42 -0.09 0.00 0.21 0.00 0.00 52.86 53.37 3hko s ASN 300 Cb 0.13 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.37 3hko s ASN 300 CO 0.56 -1.37 1.67 0.58 -2.79 0.00 0.00 177.10 175.74 3hko h VAL 301 N 6.27 1.27 -0.85 -5.21 2.07 -1.95 -0.76 116.25 117.08 3hko h VAL 301 Ca -0.24 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.24 3hko h VAL 301 Cb 1.07 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3hko h VAL 301 CO 1.14 0.41 0.55 0.44 0.02 0.00 0.00 177.57 180.13 3hko h ASP 302 N 1.02 0.82 0.77 0.57 3.32 -1.94 -2.88 116.42 118.09 3hko h ASP 302 Ca 0.19 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.03 3hko h ASP 302 Cb 0.51 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3hko h ASP 302 CO 0.02 0.52 -1.35 -0.33 -1.72 0.00 0.00 179.24 176.38 3hko h GLU 303 N 0.92 0.00 -6.79 3.56 5.08 -1.83 -3.47 114.58 112.05 3hko h GLU 303 Ca 0.37 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.16 3hko h GLU 303 Cb 0.25 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.62 3hko h GLU 303 CO -0.14 0.51 0.48 -2.13 -1.00 0.00 0.00 179.01 176.74 3hko n ARG 304 N -3.07 1.98 -1.73 2.33 0.63 -0.34 -4.95 116.66 111.52 3hko n ARG 304 Ca -0.09 0.70 -0.39 0.00 -0.92 0.00 0.00 57.85 57.14 3hko n ARG 304 Cb 0.93 -2.35 0.03 0.00 0.45 0.00 0.00 32.46 31.51 3hko n ARG 304 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hko n PHE 305 N -0.02 2.25 -2.77 -0.14 3.01 -0.35 -5.00 117.46 114.43 3hko n PHE 305 Ca 0.06 0.45 -0.22 0.00 1.01 0.00 0.00 57.45 58.74 3hko n PHE 305 Cb 0.38 -2.37 0.10 0.00 -0.01 0.00 0.00 39.48 37.58 3hko n PHE 305 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3hko n ASP 306 N -0.51 1.67 -0.33 4.37 5.68 -1.26 -4.81 116.55 121.37 3hko n ASP 306 Ca 0.09 -2.32 0.01 0.00 -0.50 0.00 0.00 54.79 52.06 3hko n ASP 306 Cb 0.43 -0.58 0.18 0.00 -1.14 0.00 0.00 41.12 40.01 3hko n ASP 306 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hko h ALA 307 N -0.36 1.40 -0.46 2.12 0.00 -1.93 -2.05 119.26 117.98 3hko h ALA 307 Ca -0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3hko h ALA 307 Cb 1.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hko h ALA 307 CO 0.38 0.51 0.19 1.98 0.00 0.00 0.00 179.25 182.31 3hko h MET 308 N 1.18 0.68 -0.34 0.00 1.85 -1.95 -0.59 114.93 115.75 3hko h MET 308 Ca 0.37 -0.12 -0.08 0.00 -0.61 0.00 0.00 59.70 59.26 3hko h MET 308 Cb 0.00 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 3hko h MET 308 CO -0.11 0.61 -0.13 0.00 -0.40 0.00 0.00 176.91 176.88 3hko h ARG 309 N 0.60 0.60 -0.80 0.39 2.47 -1.87 -1.55 114.38 114.23 3hko h ARG 309 Ca 0.16 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3hko h ARG 309 Cb 0.17 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.40 3hko h ARG 309 CO -0.01 0.72 0.40 0.00 0.56 0.00 0.00 179.97 181.63 3hko h ALA 310 N 1.31 1.03 -0.14 0.04 0.00 -1.05 -1.81 119.26 118.64 3hko h ALA 310 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3hko h ALA 310 Cb 0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hko h ALA 310 CO 0.03 0.58 -0.31 -0.07 0.00 0.00 0.00 179.25 179.48 3hko h LEU 311 N 1.12 0.27 0.00 0.00 3.38 -0.34 -2.81 115.31 116.94 3hko h LEU 311 Ca 0.28 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3hko h LEU 311 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hko h LEU 311 CO -0.04 0.58 -0.25 1.56 0.09 0.00 0.00 178.44 180.38 3hko h GLN 312 N 0.24 0.00 -6.81 1.13 4.20 -1.12 -3.35 115.11 109.39 3hko h GLN 312 Ca 0.03 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.21 3hko h GLN 312 Cb 0.68 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.54 3hko h GLN 312 CO 0.05 0.17 0.89 -1.58 -0.67 0.00 0.00 178.83 177.70 3hko s HIS 313 N -3.13 2.73 0.58 2.96 2.46 -0.70 -4.61 115.29 115.60 3hko s HIS 313 Ca 0.05 0.77 0.28 0.00 0.47 0.00 0.00 55.06 56.64 3hko s HIS 313 Cb 0.06 -4.08 1.62 0.00 -0.13 0.00 0.00 32.58 30.05 3hko s HIS 313 CO 0.70 -3.63 2.07 -1.35 -2.47 0.00 0.00 174.74 170.07 3hko h PRO 314 N 4.80 0.00 -0.33 2.88 0.11 -1.90 0.13 132.00 137.69 3hko h PRO 314 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hko h PRO 314 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3hko h PRO 314 CO 0.79 0.00 0.20 2.35 -0.21 0.00 0.00 178.00 181.13 3hko h TRP 315 N 0.00 0.43 0.09 0.65 7.01 -1.90 -1.35 115.95 120.87 3hko h TRP 315 Ca 0.11 0.01 -0.31 0.00 2.11 0.00 0.00 58.89 60.80 3hko h TRP 315 Cb 0.57 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 3hko h TRP 315 CO 0.00 0.29 -1.67 0.82 -2.79 0.00 0.00 178.44 175.08 3hko h ILE 316 N 0.46 0.79 -0.00 2.65 1.08 -1.36 -3.42 117.51 117.69 3hko h ILE 316 Ca 0.12 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.28 3hko h ILE 316 Cb -0.02 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 3hko h ILE 316 CO -0.02 0.69 -0.52 -1.54 -0.69 0.00 0.00 178.15 176.07 3hko n SER 317 N -3.84 1.00 0.31 1.72 3.41 0.28 -4.63 113.62 111.88 3hko n SER 317 Ca -0.31 -0.80 0.20 0.00 -0.26 0.00 0.00 58.87 57.70 3hko n SER 317 Cb 0.92 0.40 1.02 0.00 -0.26 0.00 0.00 64.21 66.29 3hko n SER 317 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3hko h GLN 318 N 0.76 0.00 -0.64 4.33 3.07 -1.48 0.90 115.11 122.06 3hko h GLN 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hko h GLN 318 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3hko h GLN 318 CO 0.00 0.02 0.00 1.19 0.09 0.00 0.00 178.83 180.13 3hko n PHE 319 N -3.25 0.85 -3.67 0.06 3.72 -1.26 -4.95 117.46 108.96 3hko n PHE 319 Ca -0.02 -0.42 -0.23 0.00 -0.05 0.00 0.00 57.45 56.73 3hko n PHE 319 Cb 0.14 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 3hko n PHE 319 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hko s SER 320 N -1.07 4.86 -1.24 4.37 1.04 0.31 -4.74 113.70 117.22 3hko s SER 320 Ca 0.45 -0.96 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 3hko s SER 320 Cb 0.24 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3hko s SER 320 CO 0.31 -0.86 0.86 0.47 0.98 0.00 0.00 173.24 175.00 3hko n ASP 321 N -1.66 -5.74 -4.92 7.02 8.00 -1.26 -5.00 116.55 112.99 3hko n ASP 321 Ca 0.02 -0.39 -0.27 0.00 0.71 0.00 0.00 54.79 54.86 3hko n ASP 321 Cb 0.63 -4.43 -0.02 0.00 -0.02 0.00 0.00 41.12 37.28 3hko n ASP 321 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hko s LYS 322 N -5.94 3.57 -0.00 -1.24 -0.14 -1.26 -5.06 119.74 109.66 3hko s LYS 322 Ca 0.43 -0.06 -0.00 0.00 -1.36 0.00 0.00 55.97 54.98 3hko s LYS 322 Cb -0.19 -2.59 -0.00 0.00 -1.68 0.00 0.00 37.83 33.37 3hko s LYS 322 CO 0.53 0.10 -0.00 -0.89 -0.76 0.00 0.00 175.35 174.33 3hko n ILE 323 N -1.50 0.00 -2.98 2.17 5.41 -1.26 -4.99 119.36 116.21 3hko n ILE 323 Ca -0.02 0.50 -0.37 0.00 1.00 0.00 0.00 62.75 63.86 3hko n ILE 323 Cb 0.55 -1.50 -0.06 0.00 -0.71 0.00 0.00 39.64 37.92 3hko n ILE 323 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3hko s TYR 324 N -1.00 3.72 -0.54 1.39 1.51 -1.26 -5.01 117.35 116.16 3hko s TYR 324 Ca -0.00 1.55 -0.28 0.00 -1.01 0.00 0.00 57.07 57.33 3hko s TYR 324 Cb 0.00 -2.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.13 3hko s TYR 324 CO 0.00 0.34 1.32 0.21 -1.11 0.00 0.00 175.55 176.31 3hko s LYS 325 N -1.82 3.44 -0.60 -0.62 2.20 -1.26 -4.89 119.74 116.19 3hko s LYS 325 Ca 0.43 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 3hko s LYS 325 Cb -0.19 -4.06 0.43 0.00 -1.51 0.00 0.00 37.83 32.51 3hko s LYS 325 CO 0.23 -1.76 1.79 -1.33 -0.36 0.00 0.00 175.35 173.92 3hko n MET 326 N 8.45 2.95 0.00 4.03 2.81 -1.26 -5.29 117.12 128.81 3hko n MET 326 Ca 0.12 -3.60 0.00 0.00 -1.81 0.00 0.00 57.70 52.41 3hko n MET 326 Cb 0.49 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 3hko n MET 326 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35