#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuu s ALA -4 N 0.00 1.29 0.02 4.61 0.00 -1.05 -5.05 121.76 121.58 2uuu s ALA -4 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2uuu s ALA -4 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2uuu s ALA -4 CO 0.00 -2.57 0.17 -1.64 0.00 0.00 0.00 175.76 171.72 2uuu s MET -3 N -5.01 3.33 0.73 0.00 -1.94 -1.26 -4.87 119.30 110.28 2uuu s MET -3 Ca 0.64 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 54.08 2uuu s MET -3 Cb -0.18 -3.01 0.04 0.00 2.01 0.00 0.00 34.83 33.69 2uuu s MET -3 CO 0.57 0.64 1.11 0.20 -0.01 0.00 0.00 175.02 177.53 2uuu s GLY -2 N -2.11 1.94 0.62 -0.03 0.00 -1.26 -4.98 107.32 101.50 2uuu s GLY -2 Ca 0.29 0.46 -0.18 0.00 0.00 0.00 0.00 44.72 45.29 2uuu s GLY -2 CO 0.21 0.82 1.24 -1.35 0.00 0.00 0.00 173.10 174.01 2uuu s SER -1 N -2.88 4.92 0.88 1.64 1.04 -1.26 -4.98 113.70 113.06 2uuu s SER -1 Ca 0.65 2.46 -0.15 0.00 0.48 0.00 0.00 55.95 59.39 2uuu s SER -1 Cb -0.20 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.29 2uuu s SER -1 CO 0.49 -1.78 0.19 -2.65 0.98 0.00 0.00 173.24 170.47 2uuu n PRO 9 N -1.79 -0.06 -1.61 4.02 -0.02 -1.26 -4.83 135.00 129.45 2uuu n PRO 9 Ca 0.14 0.02 -0.47 0.00 -2.02 0.00 0.00 63.50 61.17 2uuu n PRO 9 Cb 0.49 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 2uuu n PRO 9 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2uuu n LYS 10 N -0.51 1.49 -1.02 -0.52 4.81 -1.26 -1.85 118.16 119.29 2uuu n LYS 10 Ca 0.06 0.53 -0.03 0.00 -0.87 0.00 0.00 58.31 58.00 2uuu n LYS 10 Cb 0.53 -2.08 -0.01 0.00 0.02 0.00 0.00 35.03 33.48 2uuu n LYS 10 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2uuu n GLU 11 N 1.81 -1.90 -1.60 1.64 1.02 -1.26 -4.98 120.64 115.37 2uuu n GLU 11 Ca 0.13 0.57 -0.46 0.00 -0.02 0.00 0.00 57.16 57.38 2uuu n GLU 11 Cb 0.27 -4.90 -0.03 0.00 -0.02 0.00 0.00 31.44 26.77 2uuu n GLU 11 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2uuu n HIS 12 N -1.90 1.41 -4.95 -0.32 -0.00 -0.77 -5.01 115.22 103.68 2uuu n HIS 12 Ca -0.03 0.65 -0.28 0.00 0.46 0.00 0.00 57.72 58.52 2uuu n HIS 12 Cb 0.49 -2.29 -0.16 0.00 -0.12 0.00 0.00 29.99 27.90 2uuu n HIS 12 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2uuu s ILE 13 N -0.55 1.62 0.47 3.57 1.01 -1.26 -5.03 121.20 121.02 2uuu s ILE 13 Ca 0.66 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 2uuu s ILE 13 Cb -0.76 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.23 2uuu s ILE 13 CO 0.55 0.46 1.03 -1.81 0.00 0.00 0.00 174.94 175.17 2uuu s ASP 14 N 0.19 6.46 0.45 3.58 1.01 -1.26 -4.95 116.67 122.14 2uuu s ASP 14 Ca -0.09 1.92 0.11 0.00 0.71 0.00 0.00 52.55 55.21 2uuu s ASP 14 Cb -0.14 -2.56 1.03 0.00 1.01 0.00 0.00 42.92 42.26 2uuu s ASP 14 CO 0.04 -0.70 2.07 -0.07 0.21 0.00 0.00 175.17 176.73 2uuu h LEU 15 N 1.73 0.30 -1.59 1.23 3.38 -1.99 -1.31 115.31 117.06 2uuu h LEU 15 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2uuu h LEU 15 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2uuu h LEU 15 CO 0.60 0.21 0.00 0.10 0.09 0.00 0.00 178.44 179.43 2uuu h TYR 16 N 0.35 0.00 0.00 1.13 -0.00 -1.92 0.47 116.97 116.99 2uuu h TYR 16 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.86 2uuu h TYR 16 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 2uuu h TYR 16 CO -0.00 0.00 -0.82 1.96 -0.00 0.00 0.00 178.16 179.30 2uuu h GLN 17 N 0.00 0.00 0.00 0.10 4.20 -1.62 -3.37 115.11 114.42 2uuu h GLN 17 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2uuu h GLN 17 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2uuu h GLN 17 CO 0.00 0.00 -1.06 1.04 -0.67 0.00 0.00 178.83 178.14 2uuu n GLN 18 N -2.44 0.05 -4.70 1.46 6.02 0.09 -4.92 117.38 112.93 2uuu n GLN 18 Ca 0.01 -0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2uuu n GLN 18 Cb 0.50 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.13 2uuu n GLN 18 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2uuu s ILE 19 N -3.04 3.41 0.29 5.09 1.01 -0.79 -1.63 121.20 125.55 2uuu s ILE 19 Ca 0.07 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 2uuu s ILE 19 Cb 0.16 -2.40 -0.12 0.00 0.01 0.00 0.00 42.46 40.11 2uuu s ILE 19 CO 0.87 0.57 1.56 0.29 0.00 0.00 0.00 174.94 178.23 2uuu n LYS 20 N 2.67 2.61 0.11 2.79 5.02 -0.32 -4.83 118.16 126.20 2uuu n LYS 20 Ca -0.18 0.93 0.12 0.00 -2.02 0.00 0.00 58.31 57.16 2uuu n LYS 20 Cb 0.53 -2.69 0.28 0.00 -0.02 0.00 0.00 35.03 33.13 2uuu n LYS 20 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2uuu h TRP 21 N 4.56 0.00 0.00 2.13 5.08 -1.93 -3.29 115.95 122.51 2uuu h TRP 21 Ca -0.47 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.45 2uuu h TRP 21 Cb 1.23 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.28 2uuu h TRP 21 CO 0.58 0.00 -0.55 0.27 -1.28 0.00 0.00 178.44 177.45 2uuu n ASN 22 N -2.37 1.10 0.00 0.11 6.94 -1.26 -4.84 115.26 114.93 2uuu n ASN 22 Ca 0.04 -2.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 2uuu n ASN 22 Cb 0.46 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 2uuu n ASN 22 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2uuu n GLY 23 N -0.37 3.17 3.66 4.83 0.00 -1.24 -4.88 105.19 110.36 2uuu n GLY 23 Ca 0.09 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2uuu n GLY 23 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2uuu s TRP 24 N -1.63 3.06 0.00 1.61 -0.11 -1.26 -4.48 118.94 116.13 2uuu s TRP 24 Ca 0.00 0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.42 2uuu s TRP 24 Cb 0.00 -1.71 0.00 0.00 -1.50 0.00 0.00 33.47 30.26 2uuu s TRP 24 CO 0.00 0.43 0.00 0.41 -4.62 0.00 0.00 176.95 173.17 2uuu n GLY 25 N 1.83 0.08 3.68 5.86 0.00 -1.26 -4.52 105.19 110.86 2uuu n GLY 25 Ca -0.17 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.42 2uuu n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2uuu n ASP 26 N -1.68 3.37 0.30 1.61 -0.08 -1.26 -1.17 116.55 117.63 2uuu n ASP 26 Ca 0.00 1.04 0.18 0.00 -1.51 0.00 0.00 54.79 54.50 2uuu n ASP 26 Cb 0.00 -1.44 1.00 0.00 2.34 0.00 0.00 41.12 43.02 2uuu n ASP 26 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2uuu h THR 27 N 4.27 0.28 -0.10 5.18 1.35 -1.62 -2.33 112.91 119.95 2uuu h THR 27 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2uuu h THR 27 Cb 1.25 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2uuu h THR 27 CO 0.92 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.73 2uuu n ARG 28 N -3.48 1.85 -5.05 4.72 1.74 -1.26 -4.84 116.66 110.34 2uuu n ARG 28 Ca -0.02 -1.25 -0.32 0.00 -0.77 0.00 0.00 57.85 55.50 2uuu n ARG 28 Cb 0.16 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 2uuu n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2uuu s LYS 29 N -1.89 2.94 -0.17 5.56 2.20 -0.88 -3.51 119.74 123.99 2uuu s LYS 29 Ca 0.35 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 2uuu s LYS 29 Cb 0.20 -2.26 0.14 0.00 -1.51 0.00 0.00 37.83 34.40 2uuu s LYS 29 CO 0.31 0.13 1.08 -0.59 -0.36 0.00 0.00 175.35 175.91 2uuu s PHE 30 N 0.47 -0.27 0.30 4.03 -0.71 -0.41 -4.75 117.98 116.64 2uuu s PHE 30 Ca -0.16 0.40 -0.17 0.00 -1.04 0.00 0.00 56.93 55.96 2uuu s PHE 30 Cb -0.17 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.03 2uuu s PHE 30 CO 0.06 -0.29 0.74 -0.51 -1.34 0.00 0.00 175.22 173.89 2uuu s LEU 31 N -1.39 4.15 0.10 -1.99 1.43 -1.26 -1.23 118.68 118.49 2uuu s LEU 31 Ca 0.02 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.27 2uuu s LEU 31 Cb -0.01 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.32 2uuu s LEU 31 CO -0.02 -0.13 0.51 -1.38 0.23 0.00 0.00 176.35 175.55 2uuu s HIS 32 N -1.84 -0.40 -0.23 0.29 -3.43 -0.58 -4.86 115.29 104.25 2uuu s HIS 32 Ca 0.51 0.27 -0.14 0.00 -0.80 0.00 0.00 55.06 54.90 2uuu s HIS 32 Cb -0.12 0.38 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 2uuu s HIS 32 CO 0.18 -0.72 0.33 -1.14 -2.00 0.00 0.00 174.74 171.40 2uuu s GLN 33 N -3.18 4.11 -0.06 -0.38 0.74 -1.26 -0.49 119.66 119.14 2uuu s GLN 33 Ca -0.01 0.04 -0.13 0.00 0.05 0.00 0.00 55.36 55.31 2uuu s GLN 33 Cb -0.00 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 2uuu s GLN 33 CO -0.08 -0.07 0.33 -0.51 -0.55 0.00 0.00 175.29 174.42 2uuu s LEU 34 N 1.43 4.40 0.41 3.68 1.43 -0.35 -4.98 118.68 124.69 2uuu s LEU 34 Ca 0.15 0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 2uuu s LEU 34 Cb -0.15 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.54 2uuu s LEU 34 CO 0.08 0.28 0.86 -0.54 0.23 0.00 0.00 176.35 177.26 2uuu s LYS 35 N -0.68 4.02 0.00 1.70 1.02 -1.26 -0.34 119.74 124.20 2uuu s LYS 35 Ca 0.21 0.83 0.25 0.00 0.02 0.00 0.00 55.97 57.28 2uuu s LYS 35 Cb -0.15 -2.28 0.55 0.00 -0.52 0.00 0.00 37.83 35.42 2uuu s LYS 35 CO 0.09 -0.03 1.43 -0.35 -0.92 0.00 0.00 175.35 175.58 2uuu n PRO 36 N -0.87 0.94 0.13 -1.68 -0.04 -1.26 -4.85 135.00 127.36 2uuu n PRO 36 Ca 0.05 -0.63 0.02 0.00 -0.04 0.00 0.00 63.50 62.89 2uuu n PRO 36 Cb 0.54 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2uuu n PRO 36 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2uuu h SER 37 N 1.55 0.00 0.00 3.54 4.64 -2.01 -3.46 113.55 117.81 2uuu h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uuu h SER 37 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2uuu h SER 37 CO 0.00 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 2uuu n GLY 38 N 1.25 0.71 3.76 -0.77 0.00 0.53 -5.01 105.19 105.65 2uuu n GLY 38 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2uuu n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uuu s THR 39 N -2.86 2.19 0.01 2.61 2.01 -1.24 -4.58 115.64 113.80 2uuu s THR 39 Ca 0.00 0.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 2uuu s THR 39 Cb 0.00 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 2uuu s THR 39 CO 0.00 0.01 0.59 -0.63 -0.69 0.00 0.00 174.62 173.90 2uuu s ILE 40 N -1.28 4.87 0.19 1.82 1.01 -1.26 -1.22 121.20 125.33 2uuu s ILE 40 Ca 0.66 1.24 0.10 0.00 0.00 0.00 0.00 60.65 62.65 2uuu s ILE 40 Cb -0.40 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2uuu s ILE 40 CO 0.50 0.45 -0.22 0.00 0.00 0.00 0.00 174.94 175.67 2uuu s ALA 41 N -0.41 2.36 -0.20 9.38 0.00 0.36 0.19 121.76 133.43 2uuu s ALA 41 Ca 0.30 -1.60 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 2uuu s ALA 41 Cb -0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2uuu s ALA 41 CO 0.18 0.35 -0.05 1.41 0.00 0.00 0.00 175.76 177.64 2uuu s MET 42 N -2.78 3.43 -0.19 0.00 1.75 0.36 -1.52 119.30 120.35 2uuu s MET 42 Ca 0.20 -0.61 -0.09 0.00 -1.25 0.00 0.00 55.69 53.93 2uuu s MET 42 Cb -0.07 -2.95 -0.05 0.00 2.84 0.00 0.00 34.83 34.61 2uuu s MET 42 CO 0.09 -0.08 0.11 0.99 -0.65 0.00 0.00 175.02 175.48 2uuu s THR 43 N 1.17 5.19 0.35 10.11 2.01 -0.37 -0.49 115.64 133.61 2uuu s THR 43 Ca 0.02 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2uuu s THR 43 Cb -0.14 -3.35 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 2uuu s THR 43 CO -0.01 0.46 0.01 0.42 -0.69 0.00 0.00 174.62 174.81 2uuu s THR 44 N 0.23 1.65 0.54 -0.82 -4.23 -0.24 -1.28 115.64 111.49 2uuu s THR 44 Ca 0.07 -2.04 0.22 0.00 -1.18 0.00 0.00 61.69 58.76 2uuu s THR 44 Cb -0.12 -2.80 0.32 0.00 1.34 0.00 0.00 72.50 71.25 2uuu s THR 44 CO -0.01 -0.07 2.13 1.55 -0.54 0.00 0.00 174.62 177.68 2uuu h PRO 45 N 2.01 0.00 0.00 3.99 0.13 -1.99 -3.05 132.00 133.09 2uuu h PRO 45 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2uuu h PRO 45 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2uuu h PRO 45 CO 0.73 0.00 -1.50 -0.85 -0.23 0.00 0.00 178.00 176.15 2uuu n GLU 46 N -4.30 0.63 -3.67 0.86 0.00 -1.26 -4.89 120.64 108.00 2uuu n GLU 46 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 57.16 56.96 2uuu n GLU 46 Cb 0.23 -1.67 -0.16 0.00 0.00 0.00 0.00 31.44 29.84 2uuu n GLU 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2uuu s VAL 47 N -3.44 -0.25 0.19 3.84 1.01 -1.15 -5.15 120.40 115.45 2uuu s VAL 47 Ca -0.04 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 2uuu s VAL 47 Cb 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 2uuu s VAL 47 CO 0.85 0.15 0.78 -0.55 0.00 0.00 0.00 175.10 176.33 2uuu s SER 48 N 2.26 7.33 -1.39 3.32 0.15 -1.26 -1.08 113.70 123.02 2uuu s SER 48 Ca 0.03 1.62 -0.06 0.00 0.70 0.00 0.00 55.95 58.24 2uuu s SER 48 Cb -0.12 -2.49 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2uuu s SER 48 CO -0.06 0.15 0.84 -1.20 1.20 0.00 0.00 173.24 174.18 2uuu n SER 49 N 1.33 -2.84 -4.64 5.45 7.64 -1.21 -4.92 113.62 114.44 2uuu n SER 49 Ca -0.04 -0.79 -0.43 0.00 1.01 0.00 0.00 58.87 58.62 2uuu n SER 49 Cb 0.49 -4.07 -0.02 0.00 -1.01 0.00 0.00 64.21 59.60 2uuu n SER 49 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2uuu s VAL 50 N -3.51 4.12 0.45 0.44 1.01 0.36 -4.75 120.40 118.52 2uuu s VAL 50 Ca 0.28 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.30 2uuu s VAL 50 Cb -0.14 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2uuu s VAL 50 CO 0.81 -0.34 1.42 -2.65 0.00 0.00 0.00 175.10 174.34 2uuu n PRO 51 N 7.14 2.21 -3.58 2.72 -0.02 -1.26 -0.48 135.00 141.72 2uuu n PRO 51 Ca 0.15 0.79 -0.27 0.00 -2.02 0.00 0.00 63.50 62.15 2uuu n PRO 51 Cb 0.46 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.23 2uuu n PRO 51 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2uuu n LEU 52 N -0.18 2.21 -0.08 2.45 4.77 0.13 -2.53 117.00 123.76 2uuu n LEU 52 Ca 0.05 -5.05 0.00 0.00 -0.03 0.00 0.00 56.01 50.98 2uuu n LEU 52 Cb 0.41 -0.30 0.29 0.00 -2.33 0.00 0.00 43.42 41.49 2uuu n LEU 52 CO 0.59 1.90 1.07 -0.65 -1.33 0.00 0.00 177.39 178.97 2uuu h PRO 53 N 4.90 0.71 0.00 3.23 0.11 -1.78 -2.07 132.00 137.10 2uuu h PRO 53 Ca 0.18 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 2uuu h PRO 53 Cb 0.77 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 2uuu h PRO 53 CO 0.65 0.58 -0.40 0.77 -0.21 0.00 0.00 178.00 179.39 2uuu h SER 54 N 0.71 0.00 -0.24 -2.05 0.02 -1.81 -3.35 113.55 106.83 2uuu h SER 54 Ca 0.17 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2uuu h SER 54 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2uuu h SER 54 CO -0.02 0.40 -0.07 0.25 -1.14 0.00 0.00 176.83 176.24 2uuu h LEU 55 N 0.00 0.47 -0.84 5.07 5.85 -1.30 -1.68 115.31 122.89 2uuu h LEU 55 Ca -0.00 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.39 2uuu h LEU 55 Cb 0.97 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 2uuu h LEU 55 CO 0.05 0.75 0.52 -0.09 -0.34 0.00 0.00 178.44 179.33 2uuu h ARG 56 N 0.20 0.95 -0.25 1.25 2.43 -1.70 -1.86 114.38 115.40 2uuu h ARG 56 Ca 0.06 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2uuu h ARG 56 Cb 0.55 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2uuu h ARG 56 CO 0.03 0.63 0.13 0.78 -1.51 0.00 0.00 179.97 180.02 2uuu h GLY 57 N 0.98 0.38 0.11 2.80 0.00 -1.67 0.18 103.07 105.84 2uuu h GLY 57 Ca 0.35 -0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.62 2uuu h GLY 57 CO -0.15 0.17 0.05 -2.75 0.00 0.00 0.00 176.54 173.86 2uuu h PHE 58 N 0.28 0.06 -0.31 5.60 3.04 -0.96 0.16 116.94 124.80 2uuu h PHE 58 Ca 0.09 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 2uuu h PHE 58 Cb 0.10 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 2uuu h PHE 58 CO -0.03 -0.10 -0.14 0.82 -2.02 0.00 0.00 178.31 176.85 2uuu h ILE 59 N 0.17 1.29 -0.38 1.41 2.04 -1.09 -3.10 117.51 117.85 2uuu h ILE 59 Ca 0.30 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.97 2uuu h ILE 59 Cb 0.46 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2uuu h ILE 59 CO -0.44 0.40 0.14 0.50 0.00 0.00 0.00 178.15 178.74 2uuu h LYS 60 N 0.41 0.29 -0.86 2.37 3.64 -0.26 -2.44 116.57 119.72 2uuu h LYS 60 Ca 0.07 -0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.65 2uuu h LYS 60 Cb 0.66 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.29 2uuu h LYS 60 CO 0.04 0.19 0.29 -0.22 -2.27 0.00 0.00 179.45 177.49 2uuu h LYS 61 N 0.30 0.30 -0.00 1.90 3.64 -0.65 -3.51 116.57 118.55 2uuu h LYS 61 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2uuu h LYS 61 Cb 0.14 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2uuu h LYS 61 CO -0.17 0.20 -0.06 0.39 -2.27 0.00 0.00 179.45 177.54 2uuu n GLU 62 N -5.13 0.29 0.00 1.90 -0.58 -0.92 -5.12 120.64 111.08 2uuu n GLU 62 Ca 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2uuu n GLU 62 Cb 0.62 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 2uuu n GLU 62 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2uuu n PHE 73 N -1.32 0.00 -3.91 -0.32 -1.74 -1.26 -4.80 117.46 104.11 2uuu n PHE 73 Ca 0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.80 2uuu n PHE 73 Cb 0.29 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.12 2uuu n PHE 73 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2uuu s VAL 74 N -1.73 0.33 0.26 1.97 1.01 -1.26 -5.09 120.40 115.89 2uuu s VAL 74 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2uuu s VAL 74 Cb 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 2uuu s VAL 74 CO 0.00 0.21 1.30 -0.76 0.00 0.00 0.00 175.10 175.86 2uuu s LEU 75 N 1.44 4.43 0.53 3.92 2.01 -1.26 -5.03 118.68 124.72 2uuu s LEU 75 Ca -0.03 2.53 -0.16 0.00 0.01 0.00 0.00 54.13 56.48 2uuu s LEU 75 Cb -0.13 -3.63 -0.07 0.00 0.01 0.00 0.00 46.19 42.37 2uuu s LEU 75 CO -0.03 -0.51 0.99 -1.81 1.01 0.00 0.00 176.35 176.00 2uuu s ASP 76 N -0.10 6.52 0.05 2.29 -0.00 -1.26 -5.07 116.67 119.10 2uuu s ASP 76 Ca 0.53 1.59 0.09 0.00 -0.00 0.00 0.00 52.55 54.76 2uuu s ASP 76 Cb -0.38 -2.51 -0.03 0.00 -0.00 0.00 0.00 42.92 40.00 2uuu s ASP 76 CO 0.45 -0.66 -0.26 -1.61 -0.00 0.00 0.00 175.17 173.09 2uuu s GLU 77 N -4.13 1.76 -0.44 8.23 2.02 -1.26 -3.92 118.70 120.96 2uuu s GLU 77 Ca 0.59 -1.12 0.06 0.00 0.02 0.00 0.00 54.97 54.51 2uuu s GLU 77 Cb -0.11 -1.96 0.20 0.00 0.10 0.00 0.00 34.13 32.37 2uuu s GLU 77 CO 0.33 0.50 0.45 0.25 0.02 0.00 0.00 175.26 176.81 2uuu n THR 78 N 1.72 -0.56 -1.48 3.63 -2.24 -0.26 -4.77 114.28 110.32 2uuu n THR 78 Ca -0.17 -3.88 -0.33 0.00 -2.27 0.00 0.00 64.05 57.40 2uuu n THR 78 Cb 0.52 -1.84 0.08 0.00 -2.10 0.00 0.00 70.33 66.99 2uuu n THR 78 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2uuu s PRO 79 N -0.70 2.35 0.21 -0.78 0.04 -1.26 -4.42 135.00 130.44 2uuu s PRO 79 Ca 0.34 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 2uuu s PRO 79 Cb 0.09 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 2uuu s PRO 79 CO -0.15 -1.61 0.56 0.00 0.04 0.00 0.00 177.00 175.84 2uuu s ALA 80 N -2.37 3.55 0.24 8.56 0.00 -1.26 -4.98 121.76 125.50 2uuu s ALA 80 Ca 0.68 -0.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 2uuu s ALA 80 Cb -0.22 -2.49 -0.12 0.00 0.00 0.00 0.00 23.12 20.29 2uuu s ALA 80 CO 0.47 0.48 1.64 1.28 0.00 0.00 0.00 175.76 179.63 2uuu n LEU 81 N 0.16 4.02 -4.78 0.00 4.77 -0.04 -4.98 117.00 116.14 2uuu n LEU 81 Ca -0.01 1.10 -0.35 0.00 -0.03 0.00 0.00 56.01 56.72 2uuu n LEU 81 Cb 0.52 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.03 2uuu n LEU 81 CO 0.44 0.09 0.76 -1.10 -1.33 0.00 0.00 177.39 176.25 2uuu s GLN 82 N 0.39 3.72 0.38 3.23 -1.52 -1.26 -4.92 119.66 119.69 2uuu s GLN 82 Ca 0.71 1.53 0.05 0.00 -1.95 0.00 0.00 55.36 55.70 2uuu s GLN 82 Cb -0.52 -2.19 0.75 0.00 -0.22 0.00 0.00 33.01 30.82 2uuu s GLN 82 CO 0.40 -0.53 2.01 0.97 -0.25 0.00 0.00 175.29 177.90 2uuu h ILE 83 N 1.61 1.14 0.00 1.08 2.10 -1.96 0.66 117.51 122.13 2uuu h ILE 83 Ca -0.49 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.12 2uuu h ILE 83 Cb 1.24 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 2uuu h ILE 83 CO 0.59 0.15 0.00 1.05 -1.08 0.00 0.00 178.15 178.86 2uuu h GLU 84 N 0.63 0.00 -0.38 2.19 9.09 -2.03 -2.65 114.58 121.42 2uuu h GLU 84 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 2uuu h GLU 84 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2uuu h GLU 84 CO -0.03 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.12 2uuu n ASN 85 N -2.31 3.11 -4.72 3.06 3.02 0.21 -4.94 115.26 112.68 2uuu n ASN 85 Ca 0.01 -1.92 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 2uuu n ASN 85 Cb 0.18 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2uuu n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2uuu s ILE 86 N -1.10 5.19 -0.14 2.41 1.01 -1.00 -4.92 121.20 122.65 2uuu s ILE 86 Ca 0.30 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.60 2uuu s ILE 86 Cb 0.17 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 2uuu s ILE 86 CO 0.23 0.33 1.02 -2.28 0.00 0.00 0.00 174.94 174.24 2uuu s HIS 87 N 0.58 3.46 -0.08 3.97 5.65 -1.26 -5.05 115.29 122.56 2uuu s HIS 87 Ca 0.26 1.55 0.02 0.00 0.25 0.00 0.00 55.06 57.13 2uuu s HIS 87 Cb -0.15 -3.22 0.02 0.00 -1.18 0.00 0.00 32.58 28.05 2uuu s HIS 87 CO 0.10 -0.33 -0.11 0.08 -0.65 0.00 0.00 174.74 173.83 2uuu s VAL 88 N 2.33 1.09 0.38 0.89 1.01 -1.26 -4.44 120.40 120.39 2uuu s VAL 88 Ca 0.47 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2uuu s VAL 88 Cb -0.18 -1.02 -0.11 0.00 0.00 0.00 0.00 36.38 35.07 2uuu s VAL 88 CO 0.15 0.35 1.18 0.47 0.00 0.00 0.00 175.10 177.25 2uuu n ASP 89 N 4.09 2.13 -4.65 3.32 8.00 -1.26 -4.92 116.55 123.27 2uuu n ASP 89 Ca -0.21 1.13 -0.37 0.00 0.71 0.00 0.00 54.79 56.06 2uuu n ASP 89 Cb 0.51 -1.43 0.07 0.00 -0.02 0.00 0.00 41.12 40.25 2uuu n ASP 89 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2uuu n PRO 90 N 0.33 0.81 -1.58 -0.24 -0.02 -1.26 -4.94 135.00 128.10 2uuu n PRO 90 Ca 0.07 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 2uuu n PRO 90 Cb 0.37 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 2uuu n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2uuu s PRO 91 N -3.14 2.52 0.79 0.52 0.04 -1.26 -5.01 135.00 129.46 2uuu s PRO 91 Ca 0.77 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2uuu s PRO 91 Cb -0.38 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.32 2uuu s PRO 91 CO 0.46 -1.48 1.12 0.15 0.04 0.00 0.00 177.00 177.29 2uuu s LYS 92 N -4.18 2.00 0.03 4.56 1.02 -1.26 -5.05 119.74 116.85 2uuu s LYS 92 Ca 0.68 1.36 0.08 0.00 0.02 0.00 0.00 55.97 58.10 2uuu s LYS 92 Cb -0.22 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 2uuu s LYS 92 CO 0.45 -1.87 -0.22 -0.65 -0.92 0.00 0.00 175.35 172.14 2uuu s GLN 93 N -4.63 2.00 -0.44 1.68 -1.52 -1.26 -4.95 119.66 110.53 2uuu s GLN 93 Ca 0.65 -1.01 0.05 0.00 -1.95 0.00 0.00 55.36 53.10 2uuu s GLN 93 Cb -0.20 -2.10 0.19 0.00 -0.22 0.00 0.00 33.01 30.68 2uuu s GLN 93 CO 0.53 0.54 0.49 0.98 -0.25 0.00 0.00 175.29 177.58 2uuu n TYR 94 N 1.79 -1.78 -0.17 0.91 -0.00 -1.26 -5.02 117.16 111.63 2uuu n TYR 94 Ca -0.17 -2.73 -0.05 0.00 -0.00 0.00 0.00 57.90 54.95 2uuu n TYR 94 Cb 0.52 0.59 0.04 0.00 -0.00 0.00 0.00 39.34 40.49 2uuu n TYR 94 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 2uuu h PRO 95 N 5.19 0.57 -0.10 2.98 0.11 -1.99 -1.32 132.00 137.45 2uuu h PRO 95 Ca 0.17 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 2uuu h PRO 95 Cb 0.97 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2uuu h PRO 95 CO 0.28 0.38 -0.56 1.05 -0.21 0.00 0.00 178.00 178.94 2uuu h GLU 96 N 0.59 0.29 -0.36 1.05 9.09 -1.99 -0.89 114.58 122.35 2uuu h GLU 96 Ca 0.22 -0.19 -0.05 0.00 0.05 0.00 0.00 59.36 59.39 2uuu h GLU 96 Cb 0.06 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2uuu h GLU 96 CO -0.11 0.78 0.03 0.35 0.05 0.00 0.00 179.01 180.10 2uuu h PHE 97 N 0.22 0.66 -0.19 2.06 3.04 -1.85 -2.80 116.94 118.09 2uuu h PHE 97 Ca 0.00 -0.10 -0.17 0.00 3.98 0.00 0.00 57.97 61.68 2uuu h PHE 97 Cb 1.06 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.39 2uuu h PHE 97 CO 0.02 0.69 -0.58 0.28 -2.02 0.00 0.00 178.31 176.71 2uuu h VAL 98 N 0.44 1.31 -0.87 1.41 2.07 -1.07 -0.95 116.25 118.59 2uuu h VAL 98 Ca 0.11 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 2uuu h VAL 98 Cb 0.41 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2uuu h VAL 98 CO 0.01 0.57 0.48 0.03 0.02 0.00 0.00 177.57 178.69 2uuu h ARG 99 N 0.47 1.21 -0.41 1.57 3.08 -1.20 -1.35 114.38 117.74 2uuu h ARG 99 Ca 0.00 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 2uuu h ARG 99 Cb 1.15 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2uuu h ARG 99 CO 0.11 0.88 -0.13 1.49 -1.07 0.00 0.00 179.97 181.25 2uuu h GLU 100 N 1.22 0.81 -0.90 0.04 4.57 -1.27 -2.95 114.58 116.10 2uuu h GLU 100 Ca 0.31 -0.33 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2uuu h GLU 100 Cb 0.01 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 2uuu h GLU 100 CO -0.05 0.95 0.54 1.25 -1.18 0.00 0.00 179.01 180.52 2uuu h LEU 101 N 0.63 0.77 -0.63 1.64 5.85 -0.89 -2.14 115.31 120.55 2uuu h LEU 101 Ca 0.10 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2uuu h LEU 101 Cb 0.67 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2uuu h LEU 101 CO 0.05 0.42 0.00 0.29 -0.34 0.00 0.00 178.44 178.86 2uuu n LYS 102 N -4.70 0.15 0.05 1.25 5.02 -0.54 0.14 118.16 119.53 2uuu n LYS 102 Ca 0.16 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 56.99 2uuu n LYS 102 Cb 0.31 -1.81 0.51 0.00 -0.02 0.00 0.00 35.03 34.03 2uuu n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uuu n ALA 103 N -1.72 2.22 0.00 7.82 0.00 -0.80 -4.35 120.51 123.67 2uuu n ALA 103 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2uuu n ALA 103 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2uuu n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2uuu n PHE 104 N -1.82 0.00 -4.31 0.00 3.01 -0.48 -3.79 117.46 110.07 2uuu n PHE 104 Ca 0.06 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 2uuu n PHE 104 Cb 0.35 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.72 2uuu n PHE 104 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2uuu s PHE 105 N -1.29 2.79 0.42 1.38 0.40 0.12 -2.54 117.98 119.26 2uuu s PHE 105 Ca 0.00 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 2uuu s PHE 105 Cb 0.00 -1.49 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 2uuu s PHE 105 CO 0.00 0.40 0.83 -0.51 0.70 0.00 0.00 175.22 176.64 2uuu s LEU 106 N -1.97 3.82 0.53 -0.37 1.43 -1.26 -4.36 118.68 116.50 2uuu s LEU 106 Ca 0.20 1.30 0.30 0.00 -1.03 0.00 0.00 54.13 54.90 2uuu s LEU 106 Cb -0.11 -4.18 1.45 0.00 0.03 0.00 0.00 46.19 43.38 2uuu s LEU 106 CO 0.12 -0.42 1.91 -0.65 0.23 0.00 0.00 176.35 177.54 2uuu h PRO 107 N 1.35 0.02 0.00 1.29 0.11 -1.94 0.12 132.00 132.95 2uuu h PRO 107 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2uuu h PRO 107 Cb 1.18 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2uuu h PRO 107 CO 0.63 0.01 -0.02 0.22 -0.21 0.00 0.00 178.00 178.63 2uuu h ASP 108 N 0.02 0.00 -0.11 -2.05 1.82 -1.99 -1.86 116.42 112.24 2uuu h ASP 108 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 2uuu h ASP 108 Cb 1.57 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.58 2uuu h ASP 108 CO -0.01 0.02 0.00 0.00 -1.61 0.00 0.00 179.24 177.64 2uuu n GLN 109 N -3.87 2.07 -4.31 0.28 6.02 0.42 -4.91 117.38 113.08 2uuu n GLN 109 Ca -0.03 -1.58 -0.30 0.00 -0.01 0.00 0.00 57.00 55.08 2uuu n GLN 109 Cb 0.11 -1.47 -0.17 0.00 1.02 0.00 0.00 30.24 29.74 2uuu n GLN 109 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2uuu s LEU 110 N -1.85 1.79 -0.04 1.08 1.43 -0.70 -1.34 118.68 119.06 2uuu s LEU 110 Ca 0.33 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2uuu s LEU 110 Cb 0.20 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 45.24 2uuu s LEU 110 CO 0.31 -0.00 -0.07 -0.54 0.23 0.00 0.00 176.35 176.27 2uuu s LYS 111 N 1.16 0.98 0.00 1.70 -0.14 -0.15 -4.92 119.74 118.37 2uuu s LYS 111 Ca -0.02 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 2uuu s LYS 111 Cb -0.14 -0.91 0.00 0.00 -1.68 0.00 0.00 37.83 35.10 2uuu s LYS 111 CO -0.06 0.03 0.73 -0.40 -0.76 0.00 0.00 175.35 174.89 2uuu n ASP 112 N 3.63 0.00 -4.75 2.83 3.85 -1.26 -0.54 116.55 120.31 2uuu n ASP 112 Ca -0.21 -1.50 -0.29 0.00 -0.71 0.00 0.00 54.79 52.08 2uuu n ASP 112 Cb 0.53 -0.10 0.15 0.00 -1.35 0.00 0.00 41.12 40.34 2uuu n ASP 112 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 2uuu s ASP 113 N -0.50 3.27 0.18 -1.12 -4.77 -1.26 -4.78 116.67 107.69 2uuu s ASP 113 Ca 0.00 1.08 -0.14 0.00 -3.30 0.00 0.00 52.55 50.20 2uuu s ASP 113 Cb 0.00 -1.71 0.08 0.00 -1.09 0.00 0.00 42.92 40.20 2uuu s ASP 113 CO 0.00 -2.72 1.84 0.50 0.70 0.00 0.00 175.17 175.50 2uuu h LYS 114 N -1.61 0.74 -0.08 2.11 3.64 -1.99 -1.06 116.57 118.32 2uuu h LYS 114 Ca -0.52 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2uuu h LYS 114 Cb 1.32 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2uuu h LYS 114 CO 0.60 0.49 -0.05 1.25 -2.27 0.00 0.00 179.45 179.47 2uuu h LEU 115 N 0.76 -0.16 -0.47 5.20 5.85 -1.97 -1.11 115.31 123.42 2uuu h LEU 115 Ca 0.20 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.00 2uuu h LEU 115 Cb -0.09 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2uuu h LEU 115 CO -0.04 -0.07 0.22 0.00 -0.34 0.00 0.00 178.44 178.21 2uuu h ALA 116 N 1.02 0.58 0.23 1.25 0.00 -1.87 -0.73 119.26 119.74 2uuu h ALA 116 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2uuu h ALA 116 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2uuu h ALA 116 CO -0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 179.25 178.90 2uuu h ARG 117 N 0.44 -0.30 -0.63 0.00 3.08 -0.89 -2.59 114.38 113.50 2uuu h ARG 117 Ca 0.21 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.35 2uuu h ARG 117 Cb 0.13 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 2uuu h ARG 117 CO -0.16 -0.13 0.31 0.82 -1.07 0.00 0.00 179.97 179.74 2uuu h ILE 118 N -0.39 0.88 0.00 2.04 2.04 -1.13 -2.46 117.51 118.48 2uuu h ILE 118 Ca -0.03 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2uuu h ILE 118 Cb 0.30 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2uuu h ILE 118 CO 0.05 0.10 0.00 0.35 0.00 0.00 0.00 178.15 178.65 2uuu n THR 119 N -4.88 0.80 -1.18 -0.27 -2.24 -0.29 -2.04 114.28 104.17 2uuu n THR 119 Ca 0.08 0.20 0.07 0.00 -2.27 0.00 0.00 64.05 62.13 2uuu n THR 119 Cb 0.22 -0.90 0.20 0.00 -2.10 0.00 0.00 70.33 67.74 2uuu n THR 119 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2uuu n HIS 120 N -1.49 0.49 -0.06 4.78 8.25 -0.95 -4.62 115.22 121.62 2uuu n HIS 120 Ca 0.04 -1.13 -0.12 0.00 -0.26 0.00 0.00 57.72 56.26 2uuu n HIS 120 Cb 0.20 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 2uuu n HIS 120 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2uuu n THR 121 N -1.05 0.70 -4.14 1.59 -1.04 -0.87 -4.57 114.28 104.90 2uuu n THR 121 Ca 0.21 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 2uuu n THR 121 Cb 0.80 -1.40 -0.07 0.00 -1.82 0.00 0.00 70.33 67.83 2uuu n THR 121 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2uuu s PHE 122 N -2.24 3.25 0.00 -1.42 0.40 -1.21 -3.81 117.98 112.95 2uuu s PHE 122 Ca -0.17 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2uuu s PHE 122 Cb 0.06 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.86 2uuu s PHE 122 CO 0.24 0.53 0.00 0.41 0.70 0.00 0.00 175.22 177.11 2uuu n GLY 123 N 1.29 0.66 0.62 4.36 0.00 -1.26 -4.94 105.19 105.91 2uuu n GLY 123 Ca -0.14 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.26 2uuu n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uuu n LYS 124 N 0.00 1.33 -1.36 1.61 4.76 -0.84 -4.66 118.16 119.00 2uuu n LYS 124 Ca 0.00 -3.01 -0.30 0.00 -2.87 0.00 0.00 58.31 52.13 2uuu n LYS 124 Cb 0.00 -1.40 0.11 0.00 -1.84 0.00 0.00 35.03 31.90 2uuu n LYS 124 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2uuu s SER 125 N -3.00 4.17 0.17 4.39 1.04 -1.25 -4.87 113.70 114.34 2uuu s SER 125 Ca 0.36 1.50 -0.19 0.00 0.48 0.00 0.00 55.95 58.11 2uuu s SER 125 Cb 0.35 -2.22 0.09 0.00 0.10 0.00 0.00 66.02 64.34 2uuu s SER 125 CO -0.06 -2.20 1.65 0.25 0.98 0.00 0.00 173.24 173.85 2uuu h LEU 126 N -1.25 -0.55 -0.96 2.42 5.85 -1.92 -1.20 115.31 117.70 2uuu h LEU 126 Ca -0.47 0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.53 2uuu h LEU 126 Cb 1.26 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 42.51 2uuu h LEU 126 CO 0.56 -0.20 0.57 -0.09 -0.34 0.00 0.00 178.44 178.94 2uuu h ARG 127 N -0.09 0.80 -0.35 1.25 2.43 -1.96 -0.33 114.38 116.12 2uuu h ARG 127 Ca 0.19 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2uuu h ARG 127 Cb 0.38 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2uuu h ARG 127 CO -0.44 0.53 0.09 -0.44 -1.51 0.00 0.00 179.97 178.20 2uuu h ASP 128 N 0.82 0.53 -0.20 -3.80 3.32 -1.69 -2.33 116.42 113.07 2uuu h ASP 128 Ca 0.51 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 2uuu h ASP 128 Cb 0.66 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2uuu h ASP 128 CO -0.33 0.63 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.34 2uuu h LEU 129 N 0.42 0.79 -0.44 1.55 3.38 -0.58 -2.30 115.31 118.12 2uuu h LEU 129 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2uuu h LEU 129 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2uuu h LEU 129 CO 0.00 1.10 0.25 0.40 0.09 0.00 0.00 178.44 180.28 2uuu h ILE 130 N 0.60 1.15 -0.25 1.22 1.08 -1.02 -2.05 117.51 118.25 2uuu h ILE 130 Ca 0.05 -0.37 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 2uuu h ILE 130 Cb 0.95 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2uuu h ILE 130 CO 0.09 0.16 -0.03 0.03 -0.69 0.00 0.00 178.15 177.71 2uuu h ARG 131 N 0.58 0.45 -0.24 2.37 3.08 -1.33 -2.91 114.38 116.38 2uuu h ARG 131 Ca 0.16 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2uuu h ARG 131 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2uuu h ARG 131 CO -0.03 0.65 -0.18 -0.24 -1.07 0.00 0.00 179.97 179.11 2uuu h VAL 132 N 0.21 1.24 0.00 2.04 3.04 -1.37 -0.63 116.25 120.77 2uuu h VAL 132 Ca 0.07 -1.08 -0.05 0.00 -1.01 0.00 0.00 66.70 64.63 2uuu h VAL 132 Cb 0.47 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 2uuu h VAL 132 CO 0.02 0.34 -0.22 0.03 -1.01 0.00 0.00 177.57 176.73 2uuu h ARG 133 N 0.39 0.00 -0.03 4.17 3.08 -1.34 -2.52 114.38 118.12 2uuu h ARG 133 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2uuu h ARG 133 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2uuu h ARG 133 CO 0.04 0.22 -0.10 0.44 -1.07 0.00 0.00 179.97 179.50 2uuu n ILE 134 N -4.03 0.00 -1.56 2.04 -5.35 -1.04 -0.87 119.36 108.55 2uuu n ILE 134 Ca -0.02 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2uuu n ILE 134 Cb 0.30 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 2uuu n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uuu n GLY 135 N 1.36 0.44 3.44 3.28 0.00 -0.71 -4.93 105.19 108.08 2uuu n GLY 135 Ca 0.13 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 2uuu n GLY 135 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2uuu s GLN 136 N -3.15 3.34 -0.56 1.61 0.74 -0.33 -4.41 119.66 116.91 2uuu s GLN 136 Ca 0.00 -1.35 0.04 0.00 0.05 0.00 0.00 55.36 54.10 2uuu s GLN 136 Cb 0.00 -4.57 0.15 0.00 1.10 0.00 0.00 33.01 29.68 2uuu s GLN 136 CO 0.00 -1.76 0.34 0.08 -0.55 0.00 0.00 175.29 173.40 2uuu s VAL 137 N 3.23 2.25 -0.06 1.34 1.01 -1.26 -4.50 120.40 122.40 2uuu s VAL 137 Ca 0.26 -3.43 -0.16 0.00 0.00 0.00 0.00 61.98 58.65 2uuu s VAL 137 Cb -0.12 -2.53 -0.30 0.00 0.00 0.00 0.00 36.38 33.43 2uuu s VAL 137 CO -0.00 -0.93 0.71 0.11 0.00 0.00 0.00 175.10 175.00 2uuu h LYS 138 N 6.09 0.33 -3.05 2.72 1.57 -1.93 -3.43 116.57 118.88 2uuu h LYS 138 Ca 0.04 -0.56 -0.62 0.00 -1.87 0.00 0.00 60.65 57.64 2uuu h LYS 138 Cb 0.85 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 32.97 2uuu h LYS 138 CO 0.63 1.27 -0.71 -0.80 -0.57 0.00 0.00 179.45 179.27 2uuu s ASN 139 N -7.15 3.82 0.24 0.86 0.01 -1.26 -4.97 114.94 106.48 2uuu s ASN 139 Ca -0.16 -2.91 -0.03 0.00 -0.71 0.00 0.00 52.86 49.04 2uuu s ASN 139 Cb 0.04 -1.22 -0.05 0.00 0.41 0.00 0.00 41.25 40.43 2uuu s ASN 139 CO 0.82 -0.23 0.47 0.00 -1.51 0.00 0.00 177.10 176.66 2uuu s ALA 140 N -0.06 3.72 0.79 0.60 0.00 -1.26 -4.17 121.76 121.37 2uuu s ALA 140 Ca 0.19 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2uuu s ALA 140 Cb -0.20 -2.17 0.07 0.00 0.00 0.00 0.00 23.12 20.81 2uuu s ALA 140 CO -0.03 0.37 1.11 -1.25 0.00 0.00 0.00 175.76 175.96 2uuu s PRO 141 N -3.33 2.06 0.23 0.00 0.04 -1.26 -4.95 135.00 127.79 2uuu s PRO 141 Ca 0.42 1.30 0.23 0.00 0.04 0.00 0.00 61.00 62.99 2uuu s PRO 141 Cb -0.11 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.69 2uuu s PRO 141 CO 0.29 -1.81 1.20 -0.44 0.04 0.00 0.00 177.00 176.28 2uuu h ASP 142 N -1.09 0.00 -4.09 6.66 3.32 -0.97 -3.46 116.42 116.78 2uuu h ASP 142 Ca -0.44 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 2uuu h ASP 142 Cb 1.24 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.58 2uuu h ASP 142 CO 0.50 0.02 0.09 -0.22 -1.72 0.00 0.00 179.24 177.91 2uuu s LEU 143 N -5.29 -0.59 -0.13 1.55 2.96 -1.11 -4.80 118.68 111.26 2uuu s LEU 143 Ca 0.02 1.29 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 2uuu s LEU 143 Cb 0.09 2.34 -0.01 0.00 0.50 0.00 0.00 46.19 49.11 2uuu s LEU 143 CO 0.75 -0.27 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.75 2uuu s ILE 144 N 0.19 3.08 -0.06 6.68 1.09 0.30 -1.24 121.20 131.25 2uuu s ILE 144 Ca -0.01 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 58.93 2uuu s ILE 144 Cb -0.04 -2.30 -0.02 0.00 -1.06 0.00 0.00 42.46 39.04 2uuu s ILE 144 CO 0.02 0.52 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.51 2uuu s VAL 145 N 0.38 2.76 -0.52 2.92 1.01 -0.57 -0.97 120.40 125.42 2uuu s VAL 145 Ca -0.10 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2uuu s VAL 145 Cb -0.16 -2.06 0.13 0.00 0.00 0.00 0.00 36.38 34.29 2uuu s VAL 145 CO 0.05 0.58 0.27 -0.76 0.00 0.00 0.00 175.10 175.24 2uuu s LEU 146 N -0.50 4.05 0.61 3.92 1.02 -0.45 -1.43 118.68 125.91 2uuu s LEU 146 Ca 0.06 -3.00 -0.18 0.00 0.02 0.00 0.00 54.13 51.04 2uuu s LEU 146 Cb -0.12 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 2uuu s LEU 146 CO 0.01 -0.23 1.18 -2.16 0.02 0.00 0.00 176.35 175.18 2uuu s PRO 147 N -0.25 2.88 0.00 1.29 0.04 -1.26 -4.80 135.00 132.91 2uuu s PRO 147 Ca 0.18 1.72 0.16 0.00 0.04 0.00 0.00 61.00 63.10 2uuu s PRO 147 Cb -0.24 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 2uuu s PRO 147 CO -0.01 -1.25 0.74 0.72 0.04 0.00 0.00 177.00 177.24 2uuu n HIS 148 N -1.83 0.00 -3.53 0.56 8.25 -1.26 -4.24 115.22 113.17 2uuu n HIS 148 Ca 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.50 2uuu n HIS 148 Cb 0.50 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 2uuu n HIS 148 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2uuu s SER 149 N -2.28 -0.40 0.25 0.41 1.04 -1.26 -4.77 113.70 106.70 2uuu s SER 149 Ca 0.09 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 2uuu s SER 149 Cb 0.12 0.48 0.49 0.00 0.10 0.00 0.00 66.02 67.21 2uuu s SER 149 CO 0.56 -0.79 1.63 -0.74 0.98 0.00 0.00 173.24 174.88 2uuu h HIS 150 N 2.00 -0.01 -0.54 5.02 2.76 -1.96 -1.41 115.15 121.01 2uuu h HIS 150 Ca -0.26 0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 57.91 2uuu h HIS 150 Cb 1.26 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.33 2uuu h HIS 150 CO 0.27 -0.25 0.09 0.93 -1.30 0.00 0.00 177.93 177.68 2uuu h GLU 151 N 0.11 0.85 -0.39 5.26 3.07 -1.99 -1.11 114.58 120.37 2uuu h GLU 151 Ca 0.44 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 59.00 2uuu h GLU 151 Cb 0.80 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 2uuu h GLU 151 CO -0.68 0.79 -0.19 0.93 -1.40 0.00 0.00 179.01 178.45 2uuu h GLU 152 N 0.81 0.76 -0.52 2.33 5.08 -1.70 -1.41 114.58 119.92 2uuu h GLU 152 Ca 0.17 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2uuu h GLU 152 Cb 0.35 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2uuu h GLU 152 CO 0.01 0.89 0.31 0.28 -1.00 0.00 0.00 179.01 179.49 2uuu h VAL 153 N 0.67 1.16 -0.52 3.13 2.07 -0.64 0.07 116.25 122.19 2uuu h VAL 153 Ca 0.10 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2uuu h VAL 153 Cb 0.68 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2uuu h VAL 153 CO 0.05 0.17 0.25 -0.33 0.02 0.00 0.00 177.57 177.73 2uuu h GLU 154 N 0.70 0.47 -0.10 1.57 5.08 -0.95 0.04 114.58 121.39 2uuu h GLU 154 Ca 0.19 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2uuu h GLU 154 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2uuu h GLU 154 CO -0.03 0.31 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.18 2uuu h ARG 155 N 0.49 0.00 -0.09 2.33 9.65 -0.99 -1.80 114.38 123.98 2uuu h ARG 155 Ca 0.23 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2uuu h ARG 155 Cb 0.16 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2uuu h ARG 155 CO -0.18 0.00 0.05 1.25 2.80 0.00 0.00 179.97 183.90 2uuu h LEU 156 N 0.00 0.12 -0.76 3.80 5.85 -0.57 -1.35 115.31 122.39 2uuu h LEU 156 Ca 0.05 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2uuu h LEU 156 Cb 0.07 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2uuu h LEU 156 CO -0.10 0.17 0.31 0.58 -0.34 0.00 0.00 178.44 179.07 2uuu h VAL 157 N 0.05 1.25 -0.46 1.05 2.07 -0.97 -0.64 116.25 118.61 2uuu h VAL 157 Ca 0.03 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2uuu h VAL 157 Cb 0.08 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2uuu h VAL 157 CO -0.01 0.32 0.22 1.56 0.02 0.00 0.00 177.57 179.69 2uuu h GLN 158 N 1.09 0.43 -0.48 1.57 4.20 -1.22 -1.54 115.11 119.17 2uuu h GLN 158 Ca 0.25 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 2uuu h GLN 158 Cb 0.20 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2uuu h GLN 158 CO -0.02 0.28 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.29 2uuu h LEU 159 N 0.44 0.88 -1.09 1.46 3.38 -0.86 -0.84 115.31 118.68 2uuu h LEU 159 Ca 0.20 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2uuu h LEU 159 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2uuu h LEU 159 CO -0.15 1.01 0.43 0.00 0.09 0.00 0.00 178.44 179.82 2uuu h ALA 160 N 0.90 1.31 -0.11 1.53 0.00 -1.04 0.60 119.26 122.45 2uuu h ALA 160 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2uuu h ALA 160 Cb 0.60 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2uuu h ALA 160 CO 0.04 0.57 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 2uuu h HIS 161 N 1.07 0.28 -0.84 0.00 -0.00 -1.11 0.20 115.15 114.75 2uuu h HIS 161 Ca 0.27 -0.07 0.03 0.00 -0.00 0.00 0.00 60.37 60.60 2uuu h HIS 161 Cb 0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.30 2uuu h HIS 161 CO 0.01 0.60 0.54 -0.22 -0.00 0.00 0.00 177.93 178.86 2uuu h LYS 162 N -0.12 1.02 -0.01 5.26 3.64 -0.90 -2.87 116.57 122.59 2uuu h LYS 162 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2uuu h LYS 162 Cb 0.53 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2uuu h LYS 162 CO 0.02 0.68 -0.23 0.66 -2.27 0.00 0.00 179.45 178.30 2uuu n TYR 163 N -4.56 0.00 -3.06 1.91 4.01 0.18 -4.98 117.16 110.66 2uuu n TYR 163 Ca 0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 2uuu n TYR 163 Cb 0.09 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.12 2uuu n TYR 163 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2uuu n ASN 164 N -0.25 -3.78 -4.38 7.72 5.15 0.24 -5.03 115.26 114.93 2uuu n ASN 164 Ca 0.13 -0.54 -0.33 0.00 -0.60 0.00 0.00 54.58 53.24 2uuu n ASN 164 Cb 0.39 -4.32 -0.14 0.00 -0.53 0.00 0.00 39.78 35.18 2uuu n ASN 164 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2uuu s VAL 165 N -3.31 3.22 0.23 3.44 1.01 0.45 -4.69 120.40 120.75 2uuu s VAL 165 Ca 0.17 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2uuu s VAL 165 Cb -0.02 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 2uuu s VAL 165 CO 0.60 0.50 1.46 -0.69 0.00 0.00 0.00 175.10 176.97 2uuu s VAL 166 N 0.56 2.69 -0.06 2.92 1.01 -0.72 -4.65 120.40 122.15 2uuu s VAL 166 Ca -0.07 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2uuu s VAL 166 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2uuu s VAL 166 CO 0.03 0.08 -0.16 0.27 0.00 0.00 0.00 175.10 175.32 2uuu s ILE 167 N 0.27 1.36 -0.21 2.22 -4.36 0.66 -0.62 121.20 120.52 2uuu s ILE 167 Ca 0.62 -0.64 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 2uuu s ILE 167 Cb -0.42 -1.19 0.05 0.00 1.25 0.00 0.00 42.46 42.15 2uuu s ILE 167 CO 0.40 0.40 -0.05 -0.63 0.24 0.00 0.00 174.94 175.30 2uuu s ILE 168 N 0.34 1.33 0.46 8.37 1.01 -0.12 -1.42 121.20 131.17 2uuu s ILE 168 Ca -0.10 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 2uuu s ILE 168 Cb -0.14 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.67 2uuu s ILE 168 CO 0.04 -0.03 1.08 -2.16 0.00 0.00 0.00 174.94 173.87 2uuu s PRO 169 N 1.51 3.83 -0.04 2.79 0.04 -1.26 -0.90 135.00 140.97 2uuu s PRO 169 Ca -0.03 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2uuu s PRO 169 Cb -0.17 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.11 2uuu s PRO 169 CO -0.07 -0.44 -0.07 1.41 0.04 0.00 0.00 177.00 177.88 2uuu s MET 170 N -2.92 0.92 0.00 4.56 -2.45 -0.17 -4.87 119.30 114.36 2uuu s MET 170 Ca 0.65 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.89 2uuu s MET 170 Cb -0.22 -0.87 0.00 0.00 1.25 0.00 0.00 34.83 35.00 2uuu s MET 170 CO 0.26 0.00 0.00 0.41 1.05 0.00 0.00 175.02 176.74 2uuu n GLY 171 N 3.71 0.52 0.04 2.11 0.00 -1.26 -0.88 105.19 109.44 2uuu n GLY 171 Ca -0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.93 2uuu n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uuu n GLY 172 N 4.94 -1.56 2.37 -0.02 0.00 -1.26 -4.80 105.19 104.86 2uuu n GLY 172 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2uuu n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uuu n GLY 173 N 1.43 1.14 0.03 -0.02 0.00 -1.26 -4.89 105.19 101.62 2uuu n GLY 173 Ca 0.06 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.85 2uuu n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uuu n SER 174 N -0.30 0.43 -4.62 1.61 3.41 -1.26 -3.23 113.62 109.66 2uuu n SER 174 Ca -0.14 -0.16 -0.38 0.00 -0.26 0.00 0.00 58.87 57.93 2uuu n SER 174 Cb 0.48 0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2uuu n SER 174 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2uuu n ASN 175 N -1.37 0.79 -0.79 4.04 0.23 -1.26 -4.22 115.26 112.67 2uuu n ASN 175 Ca 0.07 0.80 0.08 0.00 -0.53 0.00 0.00 54.58 55.00 2uuu n ASN 175 Cb 0.33 -1.40 0.23 0.00 -2.08 0.00 0.00 39.78 36.87 2uuu n ASN 175 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2uuu n ILE 176 N -1.78 2.04 -0.02 1.53 -5.35 -1.26 -1.99 119.36 112.52 2uuu n ILE 176 Ca 0.14 -1.75 0.01 0.00 -0.27 0.00 0.00 62.75 60.88 2uuu n ILE 176 Cb 0.48 -0.12 0.03 0.00 -1.74 0.00 0.00 39.64 38.28 2uuu n ILE 176 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2uuu n VAL 177 N -0.40 0.91 -1.43 7.28 0.24 -1.26 -4.69 118.33 118.97 2uuu n VAL 177 Ca 0.19 -0.95 -0.06 0.00 -2.04 0.00 0.00 64.34 61.48 2uuu n VAL 177 Cb 0.80 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.70 2uuu n VAL 177 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uuu n GLY 178 N -0.25 0.66 0.28 7.63 0.00 -1.26 -4.94 105.19 107.32 2uuu n GLY 178 Ca 0.02 -0.73 0.17 0.00 0.00 0.00 0.00 46.02 45.49 2uuu n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuu h ALA 179 N 0.08 1.00 -0.02 4.61 0.00 -1.93 -2.63 119.26 120.38 2uuu h ALA 179 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2uuu h ALA 179 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2uuu h ALA 179 CO 0.19 0.01 -0.15 0.44 0.00 0.00 0.00 179.25 179.73 2uuu n ILE 180 N -3.10 0.00 -2.79 0.00 -5.35 -1.26 -4.97 119.36 101.88 2uuu n ILE 180 Ca 0.00 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 2uuu n ILE 180 Cb 0.30 1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 2uuu n ILE 180 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2uuu s GLU 181 N -1.67 4.23 0.46 6.28 2.12 -0.99 -4.80 118.70 124.33 2uuu s GLU 181 Ca 0.17 1.13 -0.23 0.00 0.36 0.00 0.00 54.97 56.40 2uuu s GLU 181 Cb 0.14 -3.63 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2uuu s GLU 181 CO 0.31 -0.54 1.07 -2.30 -0.54 0.00 0.00 175.26 173.25 2uuu n PRO 182 N 6.03 1.41 -0.02 4.30 -0.02 -1.26 -4.90 135.00 140.55 2uuu n PRO 182 Ca 0.08 0.51 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2uuu n PRO 182 Cb 0.47 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 2uuu n PRO 182 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2uuu n VAL 183 N -0.66 0.38 -4.12 -1.45 0.31 -1.26 -4.81 118.33 106.72 2uuu n VAL 183 Ca 0.09 -0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 63.70 2uuu n VAL 183 Cb 0.41 -0.15 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 2uuu n VAL 183 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2uuu s SER 184 N -4.83 0.75 -0.18 4.52 1.04 -1.26 -5.06 113.70 108.68 2uuu s SER 184 Ca -0.08 -1.42 0.16 0.00 0.48 0.00 0.00 55.95 55.09 2uuu s SER 184 Cb 0.12 0.59 0.42 0.00 0.10 0.00 0.00 66.02 67.25 2uuu s SER 184 CO 0.88 -1.17 1.30 -0.46 0.98 0.00 0.00 173.24 174.77 2uuu n ASN 185 N -1.10 2.76 0.02 7.02 6.94 -1.26 -4.80 115.26 124.83 2uuu n ASN 185 Ca 0.02 -3.29 -0.06 0.00 -0.02 0.00 0.00 54.58 51.22 2uuu n ASN 185 Cb 0.62 -0.51 0.12 0.00 -2.36 0.00 0.00 39.78 37.65 2uuu n ASN 185 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2uuu h GLU 186 N 0.85 0.48 -6.01 -3.83 4.11 -2.03 -3.45 114.58 104.71 2uuu h GLU 186 Ca 0.04 -0.25 -0.55 0.00 0.07 0.00 0.00 59.36 58.66 2uuu h GLU 186 Cb 1.25 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 2uuu h GLU 186 CO 0.13 0.83 -0.76 1.03 0.07 0.00 0.00 179.01 180.31 2uuu s ARG 187 N -4.16 1.51 0.21 1.06 0.52 -1.26 -5.10 118.95 111.73 2uuu s ARG 187 Ca -0.07 -1.65 -0.32 0.00 -0.52 0.00 0.00 55.73 53.17 2uuu s ARG 187 Cb 0.12 -1.52 -0.13 0.00 0.52 0.00 0.00 34.95 33.94 2uuu s ARG 187 CO 0.81 0.28 1.62 0.34 0.02 0.00 0.00 175.30 178.38 2uuu n PHE 188 N -0.37 2.53 -4.65 -0.53 7.35 -1.26 -4.82 117.46 115.71 2uuu n PHE 188 Ca -0.07 0.20 -0.25 0.00 -0.76 0.00 0.00 57.45 56.56 2uuu n PHE 188 Cb 0.59 -2.59 -0.16 0.00 0.35 0.00 0.00 39.48 37.67 2uuu n PHE 188 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2uuu s THR 189 N 0.77 1.20 -0.16 -2.13 -1.32 -1.26 -1.75 115.64 110.98 2uuu s THR 189 Ca 0.74 -0.55 -0.03 0.00 -1.21 0.00 0.00 61.69 60.65 2uuu s THR 189 Cb -0.58 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 69.32 2uuu s THR 189 CO 0.38 0.36 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.40 2uuu s VAL 190 N 0.39 3.52 -0.25 5.08 1.01 0.21 -0.22 120.40 130.13 2uuu s VAL 190 Ca -0.10 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2uuu s VAL 190 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2uuu s VAL 190 CO 0.03 0.49 0.66 -0.55 0.00 0.00 0.00 175.10 175.73 2uuu s SER 191 N 0.60 6.62 -0.72 3.32 0.15 -0.37 -0.95 113.70 122.34 2uuu s SER 191 Ca -0.04 0.76 -0.19 0.00 0.70 0.00 0.00 55.95 57.17 2uuu s SER 191 Cb -0.15 -2.35 0.11 0.00 -1.71 0.00 0.00 66.02 61.92 2uuu s SER 191 CO 0.03 -0.39 0.89 -0.63 1.20 0.00 0.00 173.24 174.34 2uuu s ILE 192 N 2.54 4.76 -0.41 6.45 1.01 -0.08 -1.50 121.20 133.96 2uuu s ILE 192 Ca 0.27 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2uuu s ILE 192 Cb -0.15 -4.61 0.02 0.00 0.01 0.00 0.00 42.46 37.72 2uuu s ILE 192 CO 0.08 -1.30 1.12 -0.62 0.00 0.00 0.00 174.94 174.22 2uuu s ASP 193 N 3.50 6.76 0.00 3.58 -1.08 -0.51 -1.00 116.67 127.91 2uuu s ASP 193 Ca 0.20 0.71 0.28 0.00 -0.52 0.00 0.00 52.55 53.23 2uuu s ASP 193 Cb -0.16 -2.55 1.60 0.00 -1.46 0.00 0.00 42.92 40.35 2uuu s ASP 193 CO 0.01 -1.10 2.01 0.23 0.52 0.00 0.00 175.17 176.84 2uuu n MET 194 N 7.44 0.73 0.00 4.34 2.81 -0.06 -4.25 117.12 128.14 2uuu n MET 194 Ca 0.12 0.01 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2uuu n MET 194 Cb 0.48 -1.50 0.67 0.00 -0.71 0.00 0.00 33.22 32.16 2uuu n MET 194 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2uuu n ARG 195 N -1.09 0.29 0.01 0.03 1.74 -1.26 -1.20 116.66 115.18 2uuu n ARG 195 Ca 0.19 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 2uuu n ARG 195 Cb 0.14 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.67 2uuu n ARG 195 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2uuu n ARG 196 N -1.34 0.03 -3.25 5.56 1.74 -1.26 -4.30 116.66 113.83 2uuu n ARG 196 Ca 0.11 0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.77 2uuu n ARG 196 Cb 0.25 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2uuu n ARG 196 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2uuu n MET 197 N -1.59 3.59 -0.98 5.56 2.81 -0.34 -4.78 117.12 121.39 2uuu n MET 197 Ca 0.07 -4.38 0.05 0.00 -1.81 0.00 0.00 57.70 51.63 2uuu n MET 197 Cb 0.35 -2.62 0.13 0.00 -0.71 0.00 0.00 33.22 30.37 2uuu n MET 197 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2uuu n ASN 198 N 2.97 1.41 -4.71 7.83 2.04 -1.26 -1.56 115.26 121.98 2uuu n ASN 198 Ca 0.26 -3.10 -0.35 0.00 -0.44 0.00 0.00 54.58 50.95 2uuu n ASN 198 Cb 0.39 -0.43 -0.09 0.00 -2.53 0.00 0.00 39.78 37.12 2uuu n ASN 198 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2uuu s LYS 199 N -1.86 3.37 -0.18 -3.83 3.01 -1.26 -4.72 119.74 114.27 2uuu s LYS 199 Ca 0.36 -0.33 -0.29 0.00 -1.01 0.00 0.00 55.97 54.70 2uuu s LYS 199 Cb 0.38 -3.00 -0.02 0.00 -1.01 0.00 0.00 37.83 34.18 2uuu s LYS 199 CO -0.11 0.59 1.47 0.08 0.51 0.00 0.00 175.35 177.89 2uuu s VAL 200 N -0.54 3.91 -0.02 3.17 1.01 -1.26 -1.10 120.40 125.57 2uuu s VAL 200 Ca 0.10 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.95 2uuu s VAL 200 Cb -0.12 -3.81 -0.31 0.00 0.00 0.00 0.00 36.38 32.14 2uuu s VAL 200 CO 0.02 -0.23 0.96 -0.07 0.00 0.00 0.00 175.10 175.78 2uuu h LEU 201 N 10.68 0.57 -7.16 3.92 3.38 -0.37 -3.48 115.31 122.86 2uuu h LEU 201 Ca -0.32 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 56.71 2uuu h LEU 201 Cb 1.13 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 2uuu h LEU 201 CO 0.99 1.44 0.10 -1.66 0.09 0.00 0.00 178.44 179.39 2uuu s TRP 202 N -2.61 -0.41 -0.08 1.13 1.48 -1.09 -4.98 118.94 112.38 2uuu s TRP 202 Ca -0.12 0.19 0.04 0.00 -1.06 0.00 0.00 56.10 55.14 2uuu s TRP 202 Cb 0.02 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 2uuu s TRP 202 CO 0.86 -0.78 -0.19 0.08 -4.06 0.00 0.00 176.95 172.86 2uuu s VAL 203 N -3.63 1.65 -0.44 -0.66 1.01 -1.26 -0.63 120.40 116.43 2uuu s VAL 203 Ca 0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2uuu s VAL 203 Cb 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 35.04 2uuu s VAL 203 CO -0.11 0.47 0.29 -0.62 0.00 0.00 0.00 175.10 175.12 2uuu s ASP 204 N 0.36 5.58 0.52 3.32 -1.08 0.67 -4.95 116.67 121.09 2uuu s ASP 204 Ca -0.14 -1.81 0.31 0.00 -0.52 0.00 0.00 52.55 50.38 2uuu s ASP 204 Cb -0.16 -1.96 1.12 0.00 -1.46 0.00 0.00 42.92 40.46 2uuu s ASP 204 CO 0.06 -0.62 1.90 0.03 0.52 0.00 0.00 175.17 177.06 2uuu h ARG 205 N 8.35 0.00 -0.04 4.34 3.08 -1.95 0.30 114.38 128.46 2uuu h ARG 205 Ca -0.20 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.70 2uuu h ARG 205 Cb 1.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.13 2uuu h ARG 205 CO 0.80 0.02 -0.57 0.00 -1.07 0.00 0.00 179.97 179.14 2uuu h ARG 206 N 0.00 0.46 0.00 0.04 3.08 -1.95 -3.28 114.38 112.73 2uuu h ARG 206 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2uuu h ARG 206 Cb 0.63 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2uuu h ARG 206 CO 0.00 1.09 -0.33 0.93 -1.07 0.00 0.00 179.97 180.59 2uuu h GLU 207 N 0.00 0.00 -5.63 0.04 4.39 -1.95 -3.48 114.58 107.95 2uuu h GLU 207 Ca -0.06 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.33 2uuu h GLU 207 Cb 1.26 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 30.08 2uuu h GLU 207 CO 0.12 0.00 -0.82 -1.33 -1.16 0.00 0.00 179.01 175.82 2uuu n MET 208 N -2.63 -4.62 -4.20 2.33 2.81 0.10 -4.94 117.12 105.98 2uuu n MET 208 Ca 0.03 0.83 -0.12 0.00 -1.81 0.00 0.00 57.70 56.63 2uuu n MET 208 Cb 0.49 -5.75 -0.10 0.00 -0.71 0.00 0.00 33.22 27.16 2uuu n MET 208 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2uuu s THR 209 N -3.40 0.65 -0.08 2.03 -4.23 -0.95 -1.58 115.64 108.07 2uuu s THR 209 Ca 0.19 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.65 2uuu s THR 209 Cb -0.03 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.94 2uuu s THR 209 CO 0.74 -0.68 0.26 0.00 -0.54 0.00 0.00 174.62 174.41 2uuu s ALA 210 N -3.67 -0.65 -0.24 3.99 0.00 -0.31 -0.24 121.76 120.65 2uuu s ALA 210 Ca 0.18 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2uuu s ALA 210 Cb 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2uuu s ALA 210 CO -0.01 -0.15 0.14 0.00 0.00 0.00 0.00 175.76 175.75 2uuu s ILE 212 N 1.13 0.73 0.17 0.00 1.01 0.12 0.45 121.20 124.80 2uuu s ILE 212 Ca 0.07 -0.27 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 2uuu s ILE 212 Cb -0.14 -0.69 -0.09 0.00 0.01 0.00 0.00 42.46 41.56 2uuu s ILE 212 CO 0.05 0.25 1.36 -1.10 0.00 0.00 0.00 174.94 175.50 2uuu s GLN 213 N 0.58 4.35 0.00 2.79 -0.21 -0.26 -1.06 119.66 125.85 2uuu s GLN 213 Ca -0.09 2.09 0.30 0.00 0.02 0.00 0.00 55.36 57.68 2uuu s GLN 213 Cb -0.12 -3.21 1.41 0.00 1.00 0.00 0.00 33.01 32.09 2uuu s GLN 213 CO 0.01 -0.35 1.95 1.33 -2.12 0.00 0.00 175.29 176.11 2uuu n VAL 214 N 3.15 0.00 1.55 1.09 0.24 -0.60 -2.78 118.33 120.98 2uuu n VAL 214 Ca 0.08 -0.09 0.15 0.00 -2.04 0.00 0.00 64.34 62.45 2uuu n VAL 214 Cb 0.42 -0.08 0.79 0.00 -1.47 0.00 0.00 33.84 33.50 2uuu n VAL 214 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uuu n GLY 215 N 1.16 -1.18 3.76 7.63 0.00 -0.60 0.28 105.19 116.24 2uuu n GLY 215 Ca 0.19 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2uuu n GLY 215 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2uuu s ILE 216 N -2.43 2.44 0.48 -0.61 2.07 -1.12 -4.34 121.20 117.70 2uuu s ILE 216 Ca 0.33 0.41 -0.19 0.00 -1.41 0.00 0.00 60.65 59.79 2uuu s ILE 216 Cb 0.21 -3.26 -0.09 0.00 0.13 0.00 0.00 42.46 39.45 2uuu s ILE 216 CO 0.44 0.08 0.99 -0.04 -1.91 0.00 0.00 174.94 174.50 2uuu s MET 217 N -1.18 3.96 0.13 3.50 -1.94 -1.26 -2.24 119.30 120.26 2uuu s MET 217 Ca 0.56 1.13 -0.30 0.00 -1.71 0.00 0.00 55.69 55.37 2uuu s MET 217 Cb -0.43 -2.13 -0.06 0.00 2.01 0.00 0.00 34.83 34.21 2uuu s MET 217 CO 0.51 -0.27 1.58 0.78 -0.01 0.00 0.00 175.02 177.61 2uuu h GLY 218 N 1.38 -0.75 1.75 -0.03 0.00 -1.39 0.06 103.07 104.09 2uuu h GLY 218 Ca -0.48 0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 2uuu h GLY 218 CO 0.60 -0.22 -0.10 -2.55 0.00 0.00 0.00 176.54 174.27 2uuu h PRO 219 N -0.51 0.31 -0.64 4.80 0.11 -1.81 -1.53 132.00 132.74 2uuu h PRO 219 Ca 0.07 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2uuu h PRO 219 Cb 0.64 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 2uuu h PRO 219 CO -0.40 0.42 0.24 1.49 -0.21 0.00 0.00 178.00 179.55 2uuu h GLU 220 N 0.29 0.96 -0.29 1.05 4.57 -1.83 -1.23 114.58 118.10 2uuu h GLU 220 Ca 0.06 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2uuu h GLU 220 Cb 0.37 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2uuu h GLU 220 CO 0.02 0.82 0.16 1.25 -1.18 0.00 0.00 179.01 180.08 2uuu h LEU 221 N 0.90 0.36 -0.51 1.64 6.46 -0.27 -0.29 115.31 123.59 2uuu h LEU 221 Ca 0.21 -0.08 -0.14 0.00 -0.12 0.00 0.00 57.88 57.76 2uuu h LEU 221 Cb 0.22 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2uuu h LEU 221 CO -0.02 0.33 -0.27 -0.33 -0.62 0.00 0.00 178.44 177.54 2uuu h GLU 222 N 0.36 0.92 -0.34 1.25 4.39 -1.19 -1.35 114.58 118.62 2uuu h GLU 222 Ca 0.10 -0.42 0.05 0.00 0.34 0.00 0.00 59.36 59.44 2uuu h GLU 222 Cb 0.05 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 2uuu h GLU 222 CO -0.02 1.07 0.04 -0.22 -1.16 0.00 0.00 179.01 178.73 2uuu h LYS 223 N 0.78 0.14 -0.19 2.33 3.64 -1.02 0.39 116.57 122.64 2uuu h LYS 223 Ca 0.09 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 2uuu h LYS 223 Cb 0.84 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2uuu h LYS 223 CO 0.07 0.09 -0.64 1.96 -2.27 0.00 0.00 179.45 178.66 2uuu h GLN 224 N 0.15 0.71 -0.69 1.90 1.08 -0.91 -2.96 115.11 114.39 2uuu h GLN 224 Ca 0.16 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.80 2uuu h GLN 224 Cb 0.20 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 2uuu h GLN 224 CO -0.24 1.13 0.20 -0.07 -0.95 0.00 0.00 178.83 178.89 2uuu h LEU 225 N 0.52 1.03 -1.26 1.46 3.38 -1.18 -3.12 115.31 116.14 2uuu h LEU 225 Ca -0.01 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2uuu h LEU 225 Cb 1.24 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2uuu h LEU 225 CO 0.13 0.98 0.52 -0.74 0.09 0.00 0.00 178.44 179.42 2uuu h HIS 226 N 1.03 0.92 -0.40 1.13 2.76 -0.61 -1.01 115.15 118.97 2uuu h HIS 226 Ca 0.22 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.53 2uuu h HIS 226 Cb 0.33 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2uuu h HIS 226 CO 0.03 0.52 0.33 0.87 -1.30 0.00 0.00 177.93 178.37 2uuu h LYS 227 N 0.94 0.00 -0.48 5.26 1.57 -1.45 -1.00 116.57 121.42 2uuu h LYS 227 Ca 0.32 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 2uuu h LYS 227 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2uuu h LYS 227 CO -0.10 0.00 0.06 1.04 -0.57 0.00 0.00 179.45 179.88 2uuu n GLN 228 N -4.15 3.65 -1.19 3.15 6.02 -0.43 -4.97 117.38 119.46 2uuu n GLN 228 Ca 0.07 -3.03 -0.07 0.00 -0.01 0.00 0.00 57.00 53.96 2uuu n GLN 228 Cb 0.51 -2.06 -0.03 0.00 1.02 0.00 0.00 30.24 29.68 2uuu n GLN 228 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uuu n GLY 229 N -0.13 0.86 3.34 1.08 0.00 -0.38 -5.01 105.19 104.95 2uuu n GLY 229 Ca 0.29 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 2uuu n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uuu s VAL 230 N -2.15 0.53 0.06 1.61 -7.23 -0.94 -2.16 120.40 110.12 2uuu s VAL 230 Ca 0.00 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 2uuu s VAL 230 Cb 0.00 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2uuu s VAL 230 CO 0.00 0.00 0.28 -0.55 -0.31 0.00 0.00 175.10 174.52 2uuu s SER 231 N -3.36 -0.08 -0.21 4.85 0.15 0.26 -2.51 113.70 112.81 2uuu s SER 231 Ca 0.36 -0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 2uuu s SER 231 Cb 0.07 0.36 -0.12 0.00 -1.71 0.00 0.00 66.02 64.61 2uuu s SER 231 CO 0.15 -0.64 -0.10 -0.11 1.20 0.00 0.00 173.24 173.74 2uuu n LEU 232 N 0.44 1.88 0.00 3.45 7.94 -1.26 -1.48 117.00 127.97 2uuu n LEU 232 Ca -0.18 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 2uuu n LEU 232 Cb 0.60 -0.88 0.00 0.00 0.53 0.00 0.00 43.42 43.67 2uuu n LEU 232 CO 0.21 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 2uuu n GLY 233 N 1.43 0.64 3.67 -3.96 0.00 -1.26 -4.81 105.19 100.89 2uuu n GLY 233 Ca -0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2uuu n GLY 233 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2uuu s HIS 234 N -2.28 3.24 -0.42 1.61 5.04 -1.26 -4.46 115.29 116.76 2uuu s HIS 234 Ca 0.00 1.36 0.09 0.00 -1.54 0.00 0.00 55.06 54.97 2uuu s HIS 234 Cb 0.00 -3.33 0.29 0.00 0.04 0.00 0.00 32.58 29.58 2uuu s HIS 234 CO 0.00 -0.80 0.64 -3.47 -2.34 0.00 0.00 174.74 168.77 2uuu n ASP 235 N 6.07 1.02 -4.67 9.88 2.03 -1.26 -4.97 116.55 124.66 2uuu n ASP 235 Ca 0.12 -2.93 -0.30 0.00 0.52 0.00 0.00 54.79 52.20 2uuu n ASP 235 Cb 0.46 -0.63 0.16 0.00 -0.72 0.00 0.00 41.12 40.39 2uuu n ASP 235 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2uuu s PRO 236 N -1.86 0.86 0.59 -0.67 0.04 -1.24 -2.55 135.00 130.16 2uuu s PRO 236 Ca 0.38 1.01 0.37 0.00 0.04 0.00 0.00 61.00 62.80 2uuu s PRO 236 Cb 0.23 -1.75 1.72 0.00 0.04 0.00 0.00 34.50 34.75 2uuu s PRO 236 CO -0.09 -2.56 2.12 -0.44 0.04 0.00 0.00 177.00 176.06 2uuu h ASP 237 N -1.79 0.00 -0.47 6.66 5.19 -1.97 -1.39 116.42 122.65 2uuu h ASP 237 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2uuu h ASP 237 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2uuu h ASP 237 CO 0.51 0.01 0.00 -1.54 -3.12 0.00 0.00 179.24 175.10 2uuu n SER 238 N -3.13 3.37 -0.29 6.45 3.41 -1.26 -4.55 113.62 117.63 2uuu n SER 238 Ca -0.01 -2.26 0.07 0.00 -0.26 0.00 0.00 58.87 56.41 2uuu n SER 238 Cb 0.23 -0.46 0.15 0.00 -0.26 0.00 0.00 64.21 63.87 2uuu n SER 238 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2uuu n PHE 239 N 0.77 0.36 0.23 7.33 7.35 -0.53 -1.29 117.46 131.69 2uuu n PHE 239 Ca 0.18 1.00 0.07 0.00 -0.76 0.00 0.00 57.45 57.94 2uuu n PHE 239 Cb 0.63 -1.02 0.58 0.00 0.35 0.00 0.00 39.48 40.02 2uuu n PHE 239 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2uuu h GLU 240 N 0.00 0.04 -0.21 -4.13 5.08 -1.86 -3.26 114.58 110.24 2uuu h GLU 240 Ca 0.42 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.58 2uuu h GLU 240 Cb 0.72 -0.01 -0.30 0.00 0.50 0.00 0.00 28.75 29.66 2uuu h GLU 240 CO -0.83 0.09 -0.88 1.19 -1.00 0.00 0.00 179.01 177.57 2uuu n PHE 241 N -4.47 0.70 -4.32 4.33 3.72 -0.41 -4.58 117.46 112.43 2uuu n PHE 241 Ca -0.02 -1.38 -0.17 0.00 -0.05 0.00 0.00 57.45 55.83 2uuu n PHE 241 Cb 0.14 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.35 2uuu n PHE 241 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2uuu s SER 242 N -2.96 1.68 0.27 4.37 1.04 -1.02 -4.42 113.70 112.66 2uuu s SER 242 Ca 0.36 -1.23 0.12 0.00 0.48 0.00 0.00 55.95 55.68 2uuu s SER 242 Cb 0.37 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 2uuu s SER 242 CO -0.08 -0.54 -0.19 0.42 0.98 0.00 0.00 173.24 173.83 2uuu s THR 243 N -3.49 2.56 0.24 2.02 -4.23 -1.26 -1.77 115.64 109.71 2uuu s THR 243 Ca 0.29 -2.31 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 2uuu s THR 243 Cb 0.06 -2.33 0.21 0.00 1.34 0.00 0.00 72.50 71.77 2uuu s THR 243 CO 0.08 -0.36 1.85 0.25 -0.54 0.00 0.00 174.62 175.90 2uuu h LEU 244 N 2.35 0.81 -0.52 4.79 5.85 -1.38 -1.36 115.31 125.85 2uuu h LEU 244 Ca -0.41 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.36 2uuu h LEU 244 Cb 1.25 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2uuu h LEU 244 CO 0.59 0.52 0.29 1.23 -0.34 0.00 0.00 178.44 180.73 2uuu h GLY 245 N 0.95 0.74 1.03 3.75 0.00 -0.46 -1.48 103.07 107.59 2uuu h GLY 245 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2uuu h GLY 245 CO -0.17 0.15 0.43 -1.33 0.00 0.00 0.00 176.54 175.63 2uuu h GLY 246 N 0.57 1.31 0.98 4.60 0.00 -1.64 0.57 103.07 109.45 2uuu h GLY 246 Ca 0.22 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2uuu h GLY 246 CO -0.13 0.60 0.17 1.49 0.00 0.00 0.00 176.54 178.67 2uuu h TRP 247 N 1.21 0.82 -0.25 5.60 6.55 -0.68 -1.50 115.95 127.70 2uuu h TRP 247 Ca 0.30 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 60.03 2uuu h TRP 247 Cb 0.09 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.14 2uuu h TRP 247 CO 0.01 0.70 0.07 -0.07 -1.05 0.00 0.00 178.44 178.10 2uuu h LEU 248 N 0.70 0.38 -1.28 -4.49 3.38 -1.07 0.16 115.31 113.08 2uuu h LEU 248 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2uuu h LEU 248 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2uuu h LEU 248 CO -0.01 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2uuu h ALA 249 N 0.89 1.00 -0.01 1.53 0.00 -0.65 -0.99 119.26 121.03 2uuu h ALA 249 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2uuu h ALA 249 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2uuu h ALA 249 CO 0.00 0.00 -0.10 0.25 0.00 0.00 0.00 179.25 179.40 2uuu n THR 250 N -2.81 0.00 -4.04 0.00 -2.24 -0.59 -0.64 114.28 103.97 2uuu n THR 250 Ca 0.01 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 2uuu n THR 250 Cb 0.27 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2uuu n THR 250 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uuu s SER 252 N -4.24 4.63 0.42 0.00 1.04 -0.90 -4.96 113.70 109.70 2uuu s SER 252 Ca 0.08 2.31 -0.14 0.00 0.48 0.00 0.00 55.95 58.67 2uuu s SER 252 Cb -0.04 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 2uuu s SER 252 CO 0.92 -1.97 0.85 -0.94 0.98 0.00 0.00 173.24 173.08 2uuu s SER 253 N -2.00 6.65 -0.01 7.02 1.04 -1.26 -4.49 113.70 120.66 2uuu s SER 253 Ca 0.74 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 58.52 2uuu s SER 253 Cb -0.28 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2uuu s SER 253 CO 0.41 -0.41 0.02 -0.83 0.98 0.00 0.00 173.24 173.41 2uuu s GLY 254 N -2.83 -0.01 0.00 7.32 0.00 -1.26 -3.72 107.32 106.82 2uuu s GLY 254 Ca 0.55 0.04 0.24 0.00 0.00 0.00 0.00 44.72 45.55 2uuu s GLY 254 CO 0.26 0.03 1.62 1.42 0.00 0.00 0.00 173.10 176.44 2uuu n HIS 255 N 3.03 0.13 -1.49 1.90 8.25 -1.06 -2.86 115.22 123.12 2uuu n HIS 255 Ca -0.12 -0.06 0.04 0.00 -0.26 0.00 0.00 57.72 57.31 2uuu n HIS 255 Cb 0.60 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.91 2uuu n HIS 255 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2uuu n GLN 256 N 0.29 1.66 0.25 -0.41 6.02 -1.26 -4.58 117.38 119.34 2uuu n GLN 256 Ca 0.17 -3.19 0.09 0.00 -0.01 0.00 0.00 57.00 54.07 2uuu n GLN 256 Cb 0.35 -1.66 0.63 0.00 1.02 0.00 0.00 30.24 30.57 2uuu n GLN 256 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2uuu h SER 257 N 0.92 0.00 -0.94 1.08 4.64 -1.75 -2.42 113.55 115.08 2uuu h SER 257 Ca 0.06 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2uuu h SER 257 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 2uuu h SER 257 CO 0.10 0.14 0.61 0.44 -0.87 0.00 0.00 176.83 177.26 2uuu h ASP 258 N 0.00 1.02 0.00 4.97 3.32 -1.87 0.13 116.42 124.00 2uuu h ASP 258 Ca -0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2uuu h ASP 258 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2uuu h ASP 258 CO 0.02 0.70 -0.63 0.50 -1.72 0.00 0.00 179.24 178.11 2uuu h LYS 259 N 1.19 0.00 0.00 3.56 1.63 -1.71 -3.42 116.57 117.83 2uuu h LYS 259 Ca 0.37 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 2uuu h LYS 259 Cb -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2uuu h LYS 259 CO -0.12 1.00 -0.92 0.66 -3.45 0.00 0.00 179.45 176.62 2uuu n TYR 260 N -4.51 0.00 0.00 1.91 4.01 -0.94 -5.09 117.16 112.54 2uuu n TYR 260 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2uuu n TYR 260 Cb 0.58 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2uuu n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2uuu n GLY 261 N 1.45 1.19 3.75 2.72 0.00 0.46 -4.72 105.19 110.04 2uuu n GLY 261 Ca 0.04 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 2uuu n GLY 261 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uuu s ASP 262 N -0.67 3.94 0.38 1.61 1.01 -1.26 -4.50 116.67 117.18 2uuu s ASP 262 Ca 0.00 1.54 0.05 0.00 0.71 0.00 0.00 52.55 54.85 2uuu s ASP 262 Cb 0.00 -2.24 0.74 0.00 1.01 0.00 0.00 42.92 42.43 2uuu s ASP 262 CO 0.00 -2.35 2.01 -0.29 0.21 0.00 0.00 175.17 174.75 2uuu h ILE 263 N -1.35 1.14 -0.05 0.77 6.09 -1.93 -1.36 117.51 120.82 2uuu h ILE 263 Ca -0.47 -0.33 -0.05 0.00 -1.37 0.00 0.00 64.86 62.64 2uuu h ILE 263 Cb 1.27 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 2uuu h ILE 263 CO 0.55 0.15 -0.19 1.05 -3.07 0.00 0.00 178.15 176.63 2uuu h GLU 264 N 0.65 0.09 0.00 2.19 9.09 -1.92 -0.96 114.58 123.71 2uuu h GLU 264 Ca 0.17 -0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.40 2uuu h GLU 264 Cb -0.01 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 2uuu h GLU 264 CO -0.03 0.28 -0.82 -0.44 0.05 0.00 0.00 179.01 178.05 2uuu h ASP 265 N 0.08 0.00 1.28 3.06 3.32 -1.64 -3.23 116.42 119.29 2uuu h ASP 265 Ca 0.02 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2uuu h ASP 265 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2uuu h ASP 265 CO 0.03 0.73 -0.23 0.24 -1.72 0.00 0.00 179.24 178.29 2uuu h MET 266 N 0.00 0.00 -6.20 3.56 2.86 -0.52 -3.43 114.93 111.20 2uuu h MET 266 Ca -0.03 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.02 2uuu h MET 266 Cb 1.58 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.14 2uuu h MET 266 CO 0.09 0.23 0.64 0.00 1.06 0.00 0.00 176.91 178.93 2uuu s ALA 267 N -3.40 3.20 -0.10 6.32 0.00 -0.45 0.26 121.76 127.59 2uuu s ALA 267 Ca 0.03 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 2uuu s ALA 267 Cb 0.08 -3.70 -0.28 0.00 0.00 0.00 0.00 23.12 19.22 2uuu s ALA 267 CO 0.66 -2.16 0.78 0.28 0.00 0.00 0.00 175.76 175.32 2uuu h VAL 268 N 6.10 1.60 -2.65 0.00 2.07 -1.22 -3.48 116.25 118.66 2uuu h VAL 268 Ca -0.24 -2.42 0.10 0.00 0.82 0.00 0.00 66.70 64.96 2uuu h VAL 268 Cb 1.07 3.23 -0.09 0.00 -1.52 0.00 0.00 31.29 33.99 2uuu h VAL 268 CO 1.06 0.64 0.36 -0.94 0.02 0.00 0.00 177.57 178.71 2uuu s SER 269 N -6.59 -0.29 0.12 0.57 1.04 -1.06 -4.90 113.70 102.58 2uuu s SER 269 Ca -0.17 -0.36 -0.25 0.00 0.48 0.00 0.00 55.95 55.65 2uuu s SER 269 Cb -0.01 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.76 2uuu s SER 269 CO 0.75 -1.03 0.76 0.72 0.98 0.00 0.00 173.24 175.42 2uuu s PHE 270 N -3.55 -0.38 -0.15 5.02 -0.12 -1.26 -0.52 117.98 117.03 2uuu s PHE 270 Ca 0.09 0.15 -0.06 0.00 -0.05 0.00 0.00 56.93 57.06 2uuu s PHE 270 Cb -0.03 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 2uuu s PHE 270 CO 0.00 -0.79 0.08 1.03 -0.05 0.00 0.00 175.22 175.49 2uuu s ARG 271 N -3.50 3.64 -0.12 1.99 0.52 -0.59 -3.42 118.95 117.46 2uuu s ARG 271 Ca 0.05 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2uuu s ARG 271 Cb -0.02 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.34 2uuu s ARG 271 CO -0.07 0.51 -0.13 0.99 0.02 0.00 0.00 175.30 176.62 2uuu s THR 272 N -0.29 1.41 -0.22 0.02 2.01 -0.55 -1.55 115.64 116.47 2uuu s THR 272 Ca 0.09 -0.56 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 2uuu s THR 272 Cb -0.12 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2uuu s THR 272 CO 0.01 0.43 0.50 -0.69 -0.69 0.00 0.00 174.62 174.19 2uuu s VAL 273 N 1.33 5.10 0.29 3.82 1.01 0.11 -0.51 120.40 131.56 2uuu s VAL 273 Ca 0.00 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.95 2uuu s VAL 273 Cb -0.14 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2uuu s VAL 273 CO -0.07 0.15 -0.05 0.42 0.00 0.00 0.00 175.10 175.56 2uuu s THR 274 N 1.83 1.67 -0.46 3.92 -4.23 -0.72 -0.64 115.64 117.01 2uuu s THR 274 Ca 0.22 -2.11 0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2uuu s THR 274 Cb -0.15 -2.52 0.16 0.00 1.34 0.00 0.00 72.50 71.33 2uuu s THR 274 CO 0.09 -0.25 1.49 -2.65 -0.54 0.00 0.00 174.62 172.77 2uuu n PRO 275 N -0.63 0.10 -0.10 3.99 -0.02 -1.25 -1.95 135.00 135.14 2uuu n PRO 275 Ca -0.05 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2uuu n PRO 275 Cb 0.64 -1.82 0.12 0.00 -0.02 0.00 0.00 33.50 32.42 2uuu n PRO 275 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uuu n THR 276 N -2.04 1.66 0.00 3.45 -2.24 -1.21 -4.94 114.28 108.96 2uuu n THR 276 Ca -0.00 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 2uuu n THR 276 Cb 0.05 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2uuu n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uuu n GLY 277 N -0.97 1.95 3.73 3.38 0.00 -0.82 -5.05 105.19 107.40 2uuu n GLY 277 Ca 0.12 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 2uuu n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uuu s THR 278 N -1.51 5.15 -0.28 2.61 2.01 -1.26 -1.75 115.64 120.61 2uuu s THR 278 Ca 0.00 1.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.89 2uuu s THR 278 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2uuu s THR 278 CO 0.00 0.34 0.22 -0.76 -0.69 0.00 0.00 174.62 173.72 2uuu s LEU 279 N 0.51 4.02 -0.02 4.42 1.43 0.33 -4.96 118.68 124.41 2uuu s LEU 279 Ca 0.27 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2uuu s LEU 279 Cb -0.16 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2uuu s LEU 279 CO 0.12 -0.07 0.11 -1.61 0.23 0.00 0.00 176.35 175.13 2uuu s GLU 280 N 1.80 3.20 0.01 1.70 0.41 -1.26 -1.48 118.70 123.08 2uuu s GLU 280 Ca 0.08 -0.41 0.07 0.00 -0.41 0.00 0.00 54.97 54.30 2uuu s GLU 280 Cb -0.16 -2.95 -0.03 0.00 -1.78 0.00 0.00 34.13 29.21 2uuu s GLU 280 CO 0.11 0.67 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.83 2uuu s LEU 281 N -1.73 2.46 0.00 1.80 1.43 -1.22 -5.05 118.68 116.37 2uuu s LEU 281 Ca 0.23 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2uuu s LEU 281 Cb -0.12 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2uuu s LEU 281 CO 0.14 0.29 0.00 -1.14 0.23 0.00 0.00 176.35 175.87 2uuu n ARG 282 N 1.93 0.00 -0.04 1.70 0.63 -1.26 -4.66 116.66 114.96 2uuu n ARG 282 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2uuu n ARG 282 Cb 0.52 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.28 2uuu n ARG 282 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2uuu n ALA 289 N -3.00 2.11 0.00 5.13 0.00 -1.26 -5.05 120.51 118.43 2uuu n ALA 289 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2uuu n ALA 289 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2uuu n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uuu n GLY 290 N 1.48 -2.07 3.73 0.00 0.00 -1.26 -4.93 105.19 102.15 2uuu n GLY 290 Ca -0.17 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2uuu n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 291 N -0.11 4.33 -1.00 -0.61 1.09 -1.26 -4.99 121.20 118.66 2uuu s ILE 291 Ca 0.00 1.99 -0.23 0.00 -1.10 0.00 0.00 60.65 61.31 2uuu s ILE 291 Cb 0.00 -4.27 0.06 0.00 -1.06 0.00 0.00 42.46 37.19 2uuu s ILE 291 CO 0.00 0.33 1.40 0.21 -0.10 0.00 0.00 174.94 176.78 2uuu s ASN 292 N -0.15 6.50 0.61 3.58 3.84 -1.26 -4.90 114.94 123.16 2uuu s ASN 292 Ca 0.47 -1.49 0.38 0.00 0.21 0.00 0.00 52.86 52.42 2uuu s ASN 292 Cb -0.25 -2.55 1.99 0.00 -0.55 0.00 0.00 41.25 39.89 2uuu s ASN 292 CO 0.31 -1.46 2.23 1.88 -2.79 0.00 0.00 177.10 177.27 2uuu h TYR 293 N 9.68 0.00 -0.14 0.43 -1.99 -2.00 -3.04 116.97 119.90 2uuu h TYR 293 Ca 0.17 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.94 2uuu h TYR 293 Cb 1.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 2uuu h TYR 293 CO 1.26 0.02 0.10 1.57 -0.00 0.00 0.00 178.16 181.11 2uuu h LYS 294 N 0.00 0.00 0.00 4.88 2.10 -1.98 0.02 116.57 121.60 2uuu h LYS 294 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2uuu h LYS 294 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2uuu h LYS 294 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 2uuu n HIS 295 N -4.50 0.49 -0.10 0.07 8.25 -1.15 -2.14 115.22 116.14 2uuu n HIS 295 Ca 0.00 0.20 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2uuu n HIS 295 Cb 0.22 -0.82 0.01 0.00 1.12 0.00 0.00 29.99 30.52 2uuu n HIS 295 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2uuu h ILE 296 N 0.00 1.28 0.03 1.59 2.04 -1.22 -3.36 117.51 117.88 2uuu h ILE 296 Ca 0.00 -1.55 -0.34 0.00 1.00 0.00 0.00 64.86 63.97 2uuu h ILE 296 Cb 0.27 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2uuu h ILE 296 CO 0.00 0.51 -2.02 -0.38 0.00 0.00 0.00 178.15 176.27 2uuu n ILE 297 N -4.06 1.60 -1.74 -0.67 2.08 -1.00 -4.65 119.36 110.92 2uuu n ILE 297 Ca -0.02 -0.74 -0.42 0.00 0.56 0.00 0.00 62.75 62.13 2uuu n ILE 297 Cb 0.53 -1.17 -0.01 0.00 -0.75 0.00 0.00 39.64 38.24 2uuu n ILE 297 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2uuu n LEU 298 N -3.14 4.34 0.00 1.39 4.77 -0.91 -1.42 117.00 122.04 2uuu n LEU 298 Ca -0.28 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 2uuu n LEU 298 Cb 1.06 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2uuu n LEU 298 CO 0.42 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2uuu n GLY 299 N 2.01 0.86 0.00 -0.72 0.00 -0.38 -4.91 105.19 102.04 2uuu n GLY 299 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2uuu n GLY 299 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uuu n SER 300 N -0.00 0.00 -4.03 1.61 3.41 -0.51 -4.71 113.62 109.39 2uuu n SER 300 Ca 0.00 0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 2uuu n SER 300 Cb 0.00 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 2uuu n SER 300 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2uuu n GLU 301 N -1.34 -3.81 -0.28 4.33 1.02 0.19 -1.81 120.64 118.94 2uuu n GLU 301 Ca 0.10 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2uuu n GLU 301 Cb 0.22 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 2uuu n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uuu n GLY 302 N -1.68 2.44 0.02 0.62 0.00 -1.26 -4.89 105.19 100.44 2uuu n GLY 302 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.06 2uuu n GLY 302 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uuu n THR 303 N -2.00 0.12 -1.27 2.61 -2.24 -0.75 -3.65 114.28 107.09 2uuu n THR 303 Ca 0.00 -0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 2uuu n THR 303 Cb 0.00 -0.49 0.10 0.00 -2.10 0.00 0.00 70.33 67.84 2uuu n THR 303 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2uuu n LEU 304 N -1.65 1.78 0.00 3.22 4.77 -1.26 -4.76 117.00 119.10 2uuu n LEU 304 Ca 0.07 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 2uuu n LEU 304 Cb 0.36 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2uuu n LEU 304 CO 0.28 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2uuu n GLY 305 N -1.08 0.88 3.37 -0.72 0.00 -1.24 -4.79 105.19 101.61 2uuu n GLY 305 Ca 0.12 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 2uuu n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 306 N -1.05 3.91 0.14 -0.61 -1.09 0.19 -4.58 121.20 118.10 2uuu s ILE 306 Ca 0.00 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.63 2uuu s ILE 306 Cb 0.00 -2.90 -0.07 0.00 -1.58 0.00 0.00 42.46 37.91 2uuu s ILE 306 CO 0.00 0.25 1.23 -0.63 -1.23 0.00 0.00 174.94 174.56 2uuu s ILE 307 N 1.53 3.66 -0.06 2.92 1.01 -1.26 0.08 121.20 129.08 2uuu s ILE 307 Ca 0.05 1.30 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 2uuu s ILE 307 Cb -0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2uuu s ILE 307 CO 0.01 0.16 -0.10 0.35 0.00 0.00 0.00 174.94 175.36 2uuu n THR 308 N 3.16 0.54 -4.54 2.92 -2.24 -0.60 -4.82 114.28 108.70 2uuu n THR 308 Ca 0.07 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 2uuu n THR 308 Cb 0.45 -1.63 -0.15 0.00 -2.10 0.00 0.00 70.33 66.89 2uuu n THR 308 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2uuu s GLU 309 N -2.16 1.07 -0.00 -0.78 2.02 -1.26 -1.55 118.70 116.05 2uuu s GLU 309 Ca -0.10 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.51 2uuu s GLU 309 Cb 0.04 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.24 2uuu s GLU 309 CO 0.13 0.23 -0.17 0.00 0.02 0.00 0.00 175.26 175.47 2uuu s ALA 310 N -0.13 1.38 -0.38 5.21 0.00 -0.23 -1.54 121.76 126.08 2uuu s ALA 310 Ca 0.02 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 2uuu s ALA 310 Cb -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2uuu s ALA 310 CO 0.00 0.33 0.64 0.08 0.00 0.00 0.00 175.76 176.81 2uuu s VAL 311 N -0.48 4.87 -0.06 0.00 1.01 0.32 -0.70 120.40 125.36 2uuu s VAL 311 Ca 0.06 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2uuu s VAL 311 Cb -0.07 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2uuu s VAL 311 CO -0.00 -0.39 -0.11 -0.04 0.00 0.00 0.00 175.10 174.56 2uuu s MET 312 N 2.75 2.65 0.04 2.72 -1.94 -0.21 -0.77 119.30 124.54 2uuu s MET 312 Ca 0.24 -0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 53.28 2uuu s MET 312 Cb -0.14 -2.48 -0.07 0.00 2.01 0.00 0.00 34.83 34.15 2uuu s MET 312 CO 0.16 0.62 1.51 0.21 -0.01 0.00 0.00 175.02 177.51 2uuu s LYS 313 N -0.71 4.25 0.44 2.03 2.20 0.14 -1.16 119.74 126.93 2uuu s LYS 313 Ca 0.11 2.13 0.06 0.00 -0.36 0.00 0.00 55.97 57.91 2uuu s LYS 313 Cb -0.11 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2uuu s LYS 313 CO 0.01 -0.64 0.08 0.14 -0.36 0.00 0.00 175.35 174.58 2uuu s VAL 314 N 2.40 1.90 0.05 4.02 -7.23 -0.62 -4.82 120.40 116.11 2uuu s VAL 314 Ca 0.68 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2uuu s VAL 314 Cb -0.35 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 2uuu s VAL 314 CO 0.29 0.00 -0.06 -1.38 -0.31 0.00 0.00 175.10 173.64 2uuu s HIS 315 N -2.72 0.63 0.39 2.82 -3.43 -0.55 -4.69 115.29 107.74 2uuu s HIS 315 Ca 0.31 -0.69 -0.27 0.00 -0.80 0.00 0.00 55.06 53.61 2uuu s HIS 315 Cb 0.06 -0.39 -0.11 0.00 -1.43 0.00 0.00 32.58 30.72 2uuu s HIS 315 CO 0.17 -0.16 1.41 0.00 -2.00 0.00 0.00 174.74 174.16 2uuu n ALA 316 N 0.91 1.98 -1.65 -1.38 0.00 -1.26 -0.57 120.51 118.53 2uuu n ALA 316 Ca -0.19 0.32 -0.50 0.00 0.00 0.00 0.00 53.44 53.06 2uuu n ALA 316 Cb 0.57 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 2uuu n ALA 316 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2uuu n VAL 317 N 0.20 0.15 -1.65 0.00 0.31 -0.92 -4.75 118.33 111.68 2uuu n VAL 317 Ca 0.03 -0.03 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2uuu n VAL 317 Cb 0.39 -1.31 0.06 0.00 -0.91 0.00 0.00 33.84 32.06 2uuu n VAL 317 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2uuu s PRO 318 N 1.74 2.61 0.24 5.55 0.04 -1.26 -4.94 135.00 138.98 2uuu s PRO 318 Ca 0.86 1.46 0.03 0.00 0.04 0.00 0.00 61.00 63.39 2uuu s PRO 318 Cb -0.83 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.07 2uuu s PRO 318 CO 0.47 -1.41 1.60 0.37 0.04 0.00 0.00 177.00 178.07 2uuu h GLN 319 N -0.11 0.33 -4.65 4.56 4.15 -1.87 -3.44 115.11 114.08 2uuu h GLN 319 Ca -0.47 -0.20 -0.46 0.00 0.77 0.00 0.00 58.65 58.30 2uuu h GLN 319 Cb 1.26 0.02 -0.31 0.00 0.21 0.00 0.00 27.48 28.65 2uuu h GLN 319 CO 0.53 0.77 -0.80 0.00 -1.93 0.00 0.00 178.83 177.40 2uuu s ALA 320 N -3.98 0.99 -0.10 3.38 0.00 -0.28 -4.85 121.76 116.92 2uuu s ALA 320 Ca -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 2uuu s ALA 320 Cb 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2uuu s ALA 320 CO 0.80 0.15 -0.02 0.08 0.00 0.00 0.00 175.76 176.76 2uuu s VAL 321 N 0.28 0.63 -0.05 0.00 1.01 -1.26 -2.34 120.40 118.67 2uuu s VAL 321 Ca -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2uuu s VAL 321 Cb -0.10 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2uuu s VAL 321 CO 0.01 0.25 0.04 -1.61 0.00 0.00 0.00 175.10 173.79 2uuu s GLU 322 N 1.86 0.14 -0.05 2.72 2.02 -0.21 -4.93 118.70 120.26 2uuu s GLU 322 Ca 0.04 0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.35 2uuu s GLU 322 Cb -0.13 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 2uuu s GLU 322 CO -0.07 -0.29 -0.20 0.71 0.02 0.00 0.00 175.26 175.43 2uuu s TYR 323 N 1.94 2.01 0.11 1.61 1.51 -1.26 -0.26 117.35 123.00 2uuu s TYR 323 Ca 0.03 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 2uuu s TYR 323 Cb -0.12 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2uuu s TYR 323 CO -0.03 -0.19 -0.11 0.71 -1.11 0.00 0.00 175.55 174.81 2uuu s TYR 324 N -0.03 1.20 -0.01 2.71 2.02 0.74 -2.97 117.35 121.00 2uuu s TYR 324 Ca -0.04 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 2uuu s TYR 324 Cb -0.13 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 2uuu s TYR 324 CO 0.03 0.06 -0.11 0.20 -1.57 0.00 0.00 175.55 174.16 2uuu s GLY 325 N -2.50 1.65 0.05 0.71 0.00 -0.91 -0.30 107.32 106.02 2uuu s GLY 325 Ca 0.07 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.79 2uuu s GLY 325 CO 0.01 -0.86 -0.08 -1.36 0.00 0.00 0.00 173.10 170.80 2uuu s PHE 326 N -0.88 0.77 -0.00 1.90 0.08 0.58 -0.73 117.98 119.70 2uuu s PHE 326 Ca 0.14 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.67 2uuu s PHE 326 Cb -0.11 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 2uuu s PHE 326 CO 0.04 -0.07 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.54 2uuu s LEU 327 N -1.78 3.31 0.06 -0.37 1.43 0.13 -0.59 118.68 120.86 2uuu s LEU 327 Ca -0.06 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 2uuu s LEU 327 Cb -0.08 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2uuu s LEU 327 CO 0.00 0.28 -0.24 -0.36 0.23 0.00 0.00 176.35 176.27 2uuu s PHE 328 N -1.03 2.08 0.35 0.29 0.08 0.79 -0.25 117.98 120.29 2uuu s PHE 328 Ca 0.18 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.87 2uuu s PHE 328 Cb -0.11 -1.22 0.63 0.00 -0.57 0.00 0.00 43.02 41.75 2uuu s PHE 328 CO 0.08 0.15 1.95 -1.35 -0.10 0.00 0.00 175.22 175.95 2uuu h PRO 329 N 4.65 0.67 -4.17 0.24 0.11 -1.87 -1.51 132.00 130.11 2uuu h PRO 329 Ca -0.46 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 65.42 2uuu h PRO 329 Cb 1.16 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 32.00 2uuu h PRO 329 CO 0.43 0.54 -0.48 0.95 -0.21 0.00 0.00 178.00 179.23 2uuu s THR 330 N -5.34 0.07 0.23 -1.15 -4.23 -1.24 -3.56 115.64 100.42 2uuu s THR 330 Ca -0.09 -1.67 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 2uuu s THR 330 Cb 0.16 -2.02 0.13 0.00 1.34 0.00 0.00 72.50 72.11 2uuu s THR 330 CO 0.76 -0.32 1.75 0.15 -0.54 0.00 0.00 174.62 176.43 2uuu h PHE 331 N 2.67 1.05 -0.86 3.99 3.57 -1.88 -2.64 116.94 122.84 2uuu h PHE 331 Ca -0.33 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.05 2uuu h PHE 331 Cb 1.22 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2uuu h PHE 331 CO 0.41 0.88 0.57 0.00 -2.23 0.00 0.00 178.31 177.93 2uuu h ALA 332 N 1.18 1.39 -0.00 2.41 0.00 -1.96 0.11 119.26 122.39 2uuu h ALA 332 Ca 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2uuu h ALA 332 Cb 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2uuu h ALA 332 CO 0.01 0.56 0.00 0.45 0.00 0.00 0.00 179.25 180.27 2uuu h HIS 333 N 1.16 0.00 -0.34 0.00 3.86 -1.82 -0.79 115.15 117.22 2uuu h HIS 333 Ca 0.32 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 2uuu h HIS 333 Cb -0.13 -0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.27 2uuu h HIS 333 CO -0.00 0.24 -0.16 0.00 0.86 0.00 0.00 177.93 178.87 2uuu h ALA 334 N 0.76 0.10 -0.82 2.45 0.00 -1.12 -1.98 119.26 118.66 2uuu h ALA 334 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2uuu h ALA 334 Cb 0.24 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2uuu h ALA 334 CO 0.00 -0.54 0.37 0.28 0.00 0.00 0.00 179.25 179.36 2uuu h VAL 335 N -0.11 1.26 -0.65 0.00 2.07 -0.73 -1.70 116.25 116.39 2uuu h VAL 335 Ca 0.17 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2uuu h VAL 335 Cb 0.37 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2uuu h VAL 335 CO -0.41 0.31 0.37 0.28 0.02 0.00 0.00 177.57 178.15 2uuu h SER 336 N 1.17 0.57 -0.23 0.57 0.02 -0.75 -1.57 113.55 113.33 2uuu h SER 336 Ca 0.28 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 2uuu h SER 336 Cb 0.14 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2uuu h SER 336 CO -0.03 0.38 0.01 0.00 -1.14 0.00 0.00 176.83 176.04 2uuu h ALA 337 N 1.32 0.21 -0.53 3.77 0.00 -0.75 -1.73 119.26 121.54 2uuu h ALA 337 Ca 0.28 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.36 2uuu h ALA 337 Cb 0.13 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2uuu h ALA 337 CO -0.16 -0.42 -0.08 -0.07 0.00 0.00 0.00 179.25 178.52 2uuu h LEU 338 N 0.08 -0.40 -0.14 0.00 4.07 -0.77 -1.05 115.31 117.11 2uuu h LEU 338 Ca 0.11 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2uuu h LEU 338 Cb 0.14 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2uuu h LEU 338 CO -0.18 -0.14 0.09 1.56 -1.08 0.00 0.00 178.44 178.69 2uuu h GLN 339 N 0.04 0.19 -0.35 1.13 4.20 -0.95 -2.78 115.11 116.58 2uuu h GLN 339 Ca 0.26 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.83 2uuu h GLN 339 Cb 0.40 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2uuu h GLN 339 CO -0.51 0.15 -0.28 1.96 -0.67 0.00 0.00 178.83 179.48 2uuu h GLN 340 N 0.17 0.74 0.03 1.46 4.20 -1.01 -2.36 115.11 118.34 2uuu h GLN 340 Ca 0.05 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.46 2uuu h GLN 340 Cb 0.01 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2uuu h GLN 340 CO -0.01 0.93 -0.18 0.82 -0.67 0.00 0.00 178.83 179.72 2uuu h ILE 341 N 0.63 0.57 -0.69 2.54 2.04 -1.16 -1.74 117.51 119.71 2uuu h ILE 341 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2uuu h ILE 341 Cb 0.80 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2uuu h ILE 341 CO 0.07 0.00 0.39 -0.09 0.00 0.00 0.00 178.15 178.52 2uuu h ARG 342 N -0.32 0.96 -0.90 2.37 2.43 -1.34 -2.46 114.38 115.12 2uuu h ARG 342 Ca 0.05 -0.10 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2uuu h ARG 342 Cb 0.37 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 2uuu h ARG 342 CO -0.15 0.70 0.58 0.77 -1.51 0.00 0.00 179.97 180.37 2uuu h SER 343 N 0.95 0.81 0.75 -3.80 0.02 -1.30 -1.68 113.55 109.30 2uuu h SER 343 Ca 0.25 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2uuu h SER 343 Cb 0.02 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2uuu h SER 343 CO -0.04 0.47 0.00 0.77 -1.14 0.00 0.00 176.83 176.89 2uuu h SER 344 N 0.89 0.00 -0.11 3.07 4.64 -0.82 -3.46 113.55 117.76 2uuu h SER 344 Ca 0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 2uuu h SER 344 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2uuu h SER 344 CO -0.19 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.11 2uuu n GLU 345 N -2.72 -1.09 -3.98 4.77 1.02 -0.63 -4.96 120.64 113.05 2uuu n GLU 345 Ca 0.01 0.41 -0.31 0.00 -0.02 0.00 0.00 57.16 57.25 2uuu n GLU 345 Cb 0.24 -4.30 -0.15 0.00 -0.02 0.00 0.00 31.44 27.21 2uuu n GLU 345 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2uuu s VAL 346 N -1.62 2.26 0.11 2.62 1.01 -1.26 -5.10 120.40 118.43 2uuu s VAL 346 Ca 0.00 -2.55 0.10 0.00 0.00 0.00 0.00 61.98 59.53 2uuu s VAL 346 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2uuu s VAL 346 CO 0.00 -0.66 -0.26 0.27 0.00 0.00 0.00 175.10 174.45 2uuu s ILE 347 N 0.62 2.28 0.81 2.22 -4.36 -1.26 -4.70 121.20 116.80 2uuu s ILE 347 Ca 0.13 -1.65 -0.11 0.00 -0.26 0.00 0.00 60.65 58.75 2uuu s ILE 347 Cb -0.21 -1.98 0.08 0.00 1.25 0.00 0.00 42.46 41.59 2uuu s ILE 347 CO -0.07 0.16 1.10 -2.16 0.24 0.00 0.00 174.94 174.21 2uuu s PRO 348 N -1.87 2.00 0.15 0.37 0.04 -1.26 -4.97 135.00 129.46 2uuu s PRO 348 Ca 0.14 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 2uuu s PRO 348 Cb -0.10 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2uuu s PRO 348 CO 0.05 -1.69 1.59 1.15 0.04 0.00 0.00 177.00 178.14 2uuu h THR 349 N -1.14 1.27 -3.91 1.26 2.02 -1.45 -3.45 112.91 107.51 2uuu h THR 349 Ca -0.47 -1.15 -0.29 0.00 0.77 0.00 0.00 66.41 65.26 2uuu h THR 349 Cb 1.27 1.02 -0.26 0.00 -1.74 0.00 0.00 68.15 68.44 2uuu h THR 349 CO 0.59 0.40 -0.74 -0.32 0.37 0.00 0.00 175.52 175.81 2uuu s MET 350 N -4.92 0.40 -0.08 6.66 -2.45 -0.91 -4.37 119.30 113.62 2uuu s MET 350 Ca -0.12 -0.34 -0.07 0.00 -1.25 0.00 0.00 55.69 53.91 2uuu s MET 350 Cb 0.12 -0.31 0.02 0.00 1.25 0.00 0.00 34.83 35.92 2uuu s MET 350 CO 0.83 0.07 0.21 -1.50 1.05 0.00 0.00 175.02 175.69 2uuu s ILE 351 N -0.52 -0.01 -0.01 10.11 2.07 -1.26 -0.97 121.20 130.62 2uuu s ILE 351 Ca -0.02 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 2uuu s ILE 351 Cb -0.04 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 2uuu s ILE 351 CO -0.00 0.01 -0.08 -0.60 -1.91 0.00 0.00 174.94 172.36 2uuu s ARG 352 N 0.30 0.70 -0.16 3.50 3.52 -0.50 -4.60 118.95 121.70 2uuu s ARG 352 Ca -0.02 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 2uuu s ARG 352 Cb -0.03 -0.67 0.02 0.00 -1.56 0.00 0.00 34.95 32.70 2uuu s ARG 352 CO -0.01 0.18 -0.20 0.08 -0.81 0.00 0.00 175.30 174.54 2uuu s VAL 353 N -0.17 1.99 -0.12 7.11 1.01 -0.19 -1.67 120.40 128.36 2uuu s VAL 353 Ca 0.03 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 2uuu s VAL 353 Cb -0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2uuu s VAL 353 CO -0.00 0.53 0.17 -0.31 0.00 0.00 0.00 175.10 175.49 2uuu s TYR 354 N 1.14 3.58 0.99 5.22 2.02 0.25 0.10 117.35 130.64 2uuu s TYR 354 Ca 0.00 0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 57.10 2uuu s TYR 354 Cb -0.14 -2.02 0.19 0.00 -0.40 0.00 0.00 41.96 39.59 2uuu s TYR 354 CO -0.09 0.65 1.20 0.16 -1.57 0.00 0.00 175.55 175.90 2uuu s ASP 355 N -0.77 2.80 0.31 2.29 -4.77 0.95 -3.31 116.67 114.16 2uuu s ASP 355 Ca 0.15 0.62 0.00 0.00 -3.30 0.00 0.00 52.55 50.02 2uuu s ASP 355 Cb -0.12 -0.92 0.50 0.00 -1.09 0.00 0.00 42.92 41.29 2uuu s ASP 355 CO 0.04 -2.96 1.91 -0.65 0.70 0.00 0.00 175.17 174.21 2uuu h PRO 356 N -1.79 0.84 -0.48 2.11 0.11 -1.86 0.13 132.00 131.06 2uuu h PRO 356 Ca -0.47 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 65.47 2uuu h PRO 356 Cb 1.29 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2uuu h PRO 356 CO 0.47 0.67 0.05 0.93 -0.21 0.00 0.00 178.00 179.91 2uuu h GLU 357 N 0.84 0.81 -0.03 1.05 3.07 -1.88 0.17 114.58 118.60 2uuu h GLU 357 Ca 0.21 -0.23 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 2uuu h GLU 357 Cb 0.11 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2uuu h GLU 357 CO -0.03 0.83 -0.62 1.49 -1.40 0.00 0.00 179.01 179.29 2uuu h GLU 358 N 0.68 0.12 -0.15 2.33 4.81 -1.74 -1.23 114.58 119.40 2uuu h GLU 358 Ca 0.14 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2uuu h GLU 358 Cb 0.43 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2uuu h GLU 358 CO 0.01 0.70 0.09 1.15 -0.73 0.00 0.00 179.01 180.23 2uuu h THR 359 N 0.09 1.09 -0.95 0.32 2.02 -0.54 0.16 112.91 115.10 2uuu h THR 359 Ca -0.01 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.95 2uuu h THR 359 Cb 1.11 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 2uuu h THR 359 CO 0.09 0.08 0.63 1.56 0.37 0.00 0.00 175.52 178.25 2uuu h GLN 360 N 0.15 1.23 -0.01 6.66 4.20 -0.52 -2.07 115.11 124.75 2uuu h GLN 360 Ca 0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2uuu h GLN 360 Cb 0.06 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2uuu h GLN 360 CO -0.01 0.81 0.00 1.25 -0.67 0.00 0.00 178.83 180.22 2uuu h LEU 361 N 1.27 0.01 -1.15 1.46 5.85 -0.98 -2.16 115.31 119.60 2uuu h LEU 361 Ca 0.36 -0.17 0.25 0.00 0.84 0.00 0.00 57.88 59.16 2uuu h LEU 361 Cb -0.11 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.80 2uuu h LEU 361 CO -0.09 0.18 0.63 0.28 -0.34 0.00 0.00 178.44 179.10 2uuu h SER 362 N -0.16 0.59 0.57 1.25 0.02 -0.37 -0.99 113.55 114.46 2uuu h SER 362 Ca 0.00 0.11 -0.29 0.00 -0.84 0.00 0.00 61.79 60.78 2uuu h SER 362 Cb 0.17 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2uuu h SER 362 CO -0.00 0.11 -1.41 -0.26 -1.14 0.00 0.00 176.83 174.14 2uuu h PHE 363 N 0.52 0.37 0.00 3.45 0.04 -1.31 -3.25 116.94 116.77 2uuu h PHE 363 Ca 0.62 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 61.11 2uuu h PHE 363 Cb 1.31 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.44 2uuu h PHE 363 CO -0.00 1.28 0.00 0.00 -0.60 0.00 0.00 178.31 178.99 2uuu n ALA 364 N -2.59 1.85 -1.47 2.45 0.00 -0.82 -3.53 120.51 116.40 2uuu n ALA 364 Ca -0.12 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 2uuu n ALA 364 Cb 1.03 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2uuu n ALA 364 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2uuu n TRP 365 N -1.45 1.83 -4.22 0.00 -0.00 -0.43 -3.07 117.44 110.10 2uuu n TRP 365 Ca 0.05 -2.03 -0.34 0.00 -0.00 0.00 0.00 57.50 55.18 2uuu n TRP 365 Cb 0.19 -1.31 -0.13 0.00 -0.00 0.00 0.00 31.31 30.06 2uuu n TRP 365 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 2uuu s LYS 366 N -2.11 3.56 0.00 5.87 -2.85 -1.23 -5.02 119.74 117.96 2uuu s LYS 366 Ca 0.55 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2uuu s LYS 366 Cb 0.38 -2.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 2uuu s LYS 366 CO -0.21 0.06 0.00 -2.30 0.10 0.00 0.00 175.35 173.00 2uuu n PRO 367 N 4.06 1.42 -3.22 1.78 -0.02 -1.26 -4.29 135.00 133.47 2uuu n PRO 367 Ca -0.17 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.07 2uuu n PRO 367 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.93 2uuu n PRO 367 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2uuu n SER 368 N 0.00 1.09 0.04 2.55 7.64 -1.05 -4.84 113.62 119.04 2uuu n SER 368 Ca 0.00 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2uuu n SER 368 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2uuu n SER 368 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2uuu n SER 373 N 1.07 -0.19 0.17 6.43 2.88 -1.26 -4.90 113.62 117.80 2uuu n SER 373 Ca 0.24 0.13 0.03 0.00 -1.33 0.00 0.00 58.87 57.94 2uuu n SER 373 Cb 0.52 0.29 0.26 0.00 -0.75 0.00 0.00 64.21 64.53 2uuu n SER 373 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2uuu h GLU 374 N 0.00 0.00 0.00 -1.46 4.81 -2.06 -3.12 114.58 112.75 2uuu h GLU 374 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2uuu h GLU 374 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2uuu h GLU 374 CO 0.00 0.47 -0.07 0.74 -0.73 0.00 0.00 179.01 179.42 2uuu h PHE 375 N 0.00 0.07 -0.52 0.92 -1.00 -1.99 -3.05 116.94 111.37 2uuu h PHE 375 Ca -0.00 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 2uuu h PHE 375 Cb 1.00 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.53 2uuu h PHE 375 CO 0.00 0.85 0.28 0.00 -1.61 0.00 0.00 178.31 177.83 2uuu h THR 376 N -0.73 1.16 -0.04 -1.55 1.03 -1.96 -1.44 112.91 109.39 2uuu h THR 376 Ca -0.01 -0.42 -0.15 0.00 -0.01 0.00 0.00 66.41 65.82 2uuu h THR 376 Cb 0.87 0.47 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 2uuu h THR 376 CO 0.01 0.18 -0.66 0.77 -0.01 0.00 0.00 175.52 175.82 2uuu h SER 377 N 0.72 0.19 0.73 0.00 4.64 -1.67 -2.91 113.55 115.26 2uuu h SER 377 Ca 0.19 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2uuu h SER 377 Cb 0.03 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2uuu h SER 377 CO -0.03 0.79 -0.53 0.00 -0.87 0.00 0.00 176.83 176.20 2uuu h ALA 378 N 1.20 0.97 0.00 5.18 0.00 -1.28 -3.08 119.26 122.25 2uuu h ALA 378 Ca -0.01 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2uuu h ALA 378 Cb 1.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2uuu h ALA 378 CO 0.10 0.66 -0.99 0.52 0.00 0.00 0.00 179.25 179.54 2uuu h MET 379 N 0.00 0.54 -0.42 0.00 2.86 -1.24 -3.23 114.93 113.45 2uuu h MET 379 Ca -0.01 -0.58 -0.06 0.00 -2.06 0.00 0.00 59.70 57.00 2uuu h MET 379 Cb 1.03 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2uuu h MET 379 CO 0.07 1.20 0.03 0.28 1.06 0.00 0.00 176.91 179.55 2uuu h VAL 380 N 0.30 1.21 -0.11 -2.22 2.07 -1.51 -2.27 116.25 113.73 2uuu h VAL 380 Ca -0.10 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.60 2uuu h VAL 380 Cb 1.63 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2uuu h VAL 380 CO 0.18 0.30 -0.08 0.11 0.02 0.00 0.00 177.57 178.10 2uuu h LYS 381 N 0.62 -0.09 -0.17 1.57 1.79 -1.58 -0.94 116.57 117.77 2uuu h LYS 381 Ca 0.13 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2uuu h LYS 381 Cb 0.35 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2uuu h LYS 381 CO 0.01 -0.06 -0.05 0.87 -1.08 0.00 0.00 179.45 179.14 2uuu h LYS 382 N -0.10 0.25 0.00 3.15 1.57 -1.53 0.20 116.57 120.12 2uuu h LYS 382 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2uuu h LYS 382 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2uuu h LYS 382 CO -0.16 0.32 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.11 2uuu h TYR 383 N 0.24 -0.01 -0.22 -1.35 5.03 -0.96 0.14 116.97 119.85 2uuu h TYR 383 Ca 0.05 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 2uuu h TYR 383 Cb 0.26 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 2uuu h TYR 383 CO 0.00 0.36 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.07 2uuu h LEU 384 N -0.37 0.31 -0.85 2.82 3.38 -0.99 -0.17 115.31 119.44 2uuu h LEU 384 Ca -0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2uuu h LEU 384 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2uuu h LEU 384 CO 0.00 0.43 -0.04 -0.74 0.09 0.00 0.00 178.44 178.18 2uuu h HIS 385 N 0.32 0.88 -0.03 1.13 2.76 -0.47 -3.11 115.15 116.64 2uuu h HIS 385 Ca 0.07 -0.14 -0.11 0.00 -2.20 0.00 0.00 60.37 57.99 2uuu h HIS 385 Cb 0.33 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.06 2uuu h HIS 385 CO 0.01 0.83 -0.40 -0.92 -1.30 0.00 0.00 177.93 176.14 2uuu h TYR 386 N 0.75 0.46 0.00 5.26 -0.00 -0.21 -3.24 116.97 119.99 2uuu h TYR 386 Ca 0.14 -0.23 0.00 0.00 -0.00 0.00 0.00 58.73 58.64 2uuu h TYR 386 Cb 0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 36.73 37.18 2uuu h TYR 386 CO 0.03 1.01 0.00 0.44 -0.00 0.00 0.00 178.16 179.64 2uuu n ILE 387 N -4.37 0.00 0.53 1.81 -5.35 -0.12 -0.78 119.36 111.08 2uuu n ILE 387 Ca -0.09 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.51 2uuu n ILE 387 Cb 0.56 -0.66 0.26 0.00 -1.74 0.00 0.00 39.64 38.07 2uuu n ILE 387 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2uuu h ARG 388 N 0.00 0.00 0.00 6.28 3.08 -1.56 -3.37 114.38 118.81 2uuu h ARG 388 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2uuu h ARG 388 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2uuu h ARG 388 CO 0.00 0.00 -1.49 0.43 -1.07 0.00 0.00 179.97 177.84 2uuu n SER 389 N -2.30 3.10 -4.16 7.04 7.64 0.04 -5.04 113.62 119.93 2uuu n SER 389 Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.73 2uuu n SER 389 Cb 0.45 0.88 -0.12 0.00 -1.01 0.00 0.00 64.21 64.40 2uuu n SER 389 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2uuu s PHE 390 N -2.29 1.23 0.11 1.43 0.40 -0.62 -5.12 117.98 113.13 2uuu s PHE 390 Ca -0.04 -0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 2uuu s PHE 390 Cb 0.03 -0.70 -0.09 0.00 0.51 0.00 0.00 43.02 42.76 2uuu s PHE 390 CO 0.32 0.05 1.67 0.34 0.70 0.00 0.00 175.22 178.31 2uuu s ASP 391 N -1.54 6.55 0.61 1.36 3.68 -1.26 -4.18 116.67 121.89 2uuu s ASP 391 Ca -0.01 2.59 0.38 0.00 2.13 0.00 0.00 52.55 57.64 2uuu s ASP 391 Cb -0.09 -2.57 1.97 0.00 -1.45 0.00 0.00 42.92 40.78 2uuu s ASP 391 CO 0.02 -0.90 2.23 2.19 0.13 0.00 0.00 175.17 178.84 2uuu h PHE 392 N 7.92 0.00 0.00 -5.34 -5.15 -1.95 -0.39 116.94 112.04 2uuu h PHE 392 Ca -0.43 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2uuu h PHE 392 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.37 2uuu h PHE 392 CO 0.74 0.02 -0.02 0.87 -2.00 0.00 0.00 178.31 177.93 2uuu h LYS 393 N 0.00 0.00 0.00 6.09 1.57 -1.94 -3.26 116.57 119.02 2uuu h LYS 393 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2uuu h LYS 393 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2uuu h LYS 393 CO 0.00 0.02 -1.55 0.09 -0.57 0.00 0.00 179.45 177.45 2uuu n ASN 394 N -3.13 2.60 -4.70 0.86 5.03 -0.25 -4.76 115.26 110.92 2uuu n ASN 394 Ca -0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 2uuu n ASN 394 Cb 0.27 1.22 -0.03 0.00 -1.02 0.00 0.00 39.78 40.23 2uuu n ASN 394 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2uuu s VAL 395 N -2.56 3.60 -0.03 2.41 1.01 -0.66 -3.72 120.40 120.44 2uuu s VAL 395 Ca -0.04 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.01 2uuu s VAL 395 Cb 0.05 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2uuu s VAL 395 CO 0.42 0.02 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 2uuu s LEU 397 N -1.02 4.39 -0.05 0.00 2.96 -1.21 -0.15 118.68 123.60 2uuu s LEU 397 Ca 0.14 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 2uuu s LEU 397 Cb -0.11 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2uuu s LEU 397 CO 0.03 0.33 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.74 2uuu s SER 398 N -1.41 1.45 -0.16 3.68 0.15 0.24 -0.59 113.70 117.06 2uuu s SER 398 Ca 0.22 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 2uuu s SER 398 Cb -0.13 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 2uuu s SER 398 CO 0.11 0.03 0.10 -0.63 1.20 0.00 0.00 173.24 174.05 2uuu s ILE 399 N 0.55 5.14 -0.05 6.45 1.09 -0.67 -0.31 121.20 133.40 2uuu s ILE 399 Ca -0.10 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.53 2uuu s ILE 399 Cb -0.13 -3.29 0.03 0.00 -1.06 0.00 0.00 42.46 38.01 2uuu s ILE 399 CO 0.02 0.52 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.73 2uuu s ILE 400 N -0.19 0.36 -0.01 2.92 1.01 0.59 -1.41 121.20 124.48 2uuu s ILE 400 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.84 2uuu s ILE 400 Cb -0.12 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 2uuu s ILE 400 CO 0.01 0.21 -0.23 -0.83 0.00 0.00 0.00 174.94 174.10 2uuu s GLY 401 N 1.30 1.14 -0.07 6.18 0.00 -0.14 -0.19 107.32 115.53 2uuu s GLY 401 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.68 2uuu s GLY 401 CO -0.02 -0.86 -0.15 -1.36 0.00 0.00 0.00 173.10 170.71 2uuu s PHE 402 N -0.58 1.71 0.03 1.90 0.08 0.64 -1.06 117.98 120.70 2uuu s PHE 402 Ca 0.09 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.53 2uuu s PHE 402 Cb -0.09 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2uuu s PHE 402 CO -0.00 -0.30 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.50 2uuu s GLU 403 N 0.55 0.75 0.00 0.44 2.02 -1.26 -1.05 118.70 120.15 2uuu s GLU 403 Ca -0.15 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2uuu s GLU 403 Cb -0.16 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.37 2uuu s GLU 403 CO 0.05 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2uuu n GLY 404 N 2.07 0.13 3.73 -1.39 0.00 -0.99 -4.78 105.19 103.97 2uuu n GLY 404 Ca -0.18 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 2uuu n GLY 404 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2uuu s PRO 405 N -2.00 2.58 0.23 1.61 0.02 -1.26 -1.13 135.00 135.05 2uuu s PRO 405 Ca 0.00 1.99 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 2uuu s PRO 405 Cb 0.00 -1.86 0.34 0.00 0.02 0.00 0.00 34.50 33.01 2uuu s PRO 405 CO 0.00 -1.56 1.62 -0.22 -0.33 0.00 0.00 177.00 176.51 2uuu h LYS 406 N 0.51 0.03 -0.55 5.54 3.64 -1.92 -1.08 116.57 122.74 2uuu h LYS 406 Ca -0.50 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2uuu h LYS 406 Cb 1.33 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2uuu h LYS 406 CO 0.53 0.02 0.31 0.87 -2.27 0.00 0.00 179.45 178.91 2uuu h LYS 407 N 0.03 0.75 0.01 1.90 1.57 -2.00 -0.72 116.57 118.12 2uuu h LYS 407 Ca 0.37 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2uuu h LYS 407 Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2uuu h LYS 407 CO -0.72 0.54 -0.01 0.28 -0.57 0.00 0.00 179.45 178.97 2uuu h VAL 408 N 0.76 1.51 -0.61 0.50 2.07 -1.60 -2.95 116.25 115.93 2uuu h VAL 408 Ca 0.20 -1.71 0.10 0.00 0.82 0.00 0.00 66.70 66.11 2uuu h VAL 408 Cb -0.00 2.64 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 2uuu h VAL 408 CO -0.03 0.43 0.20 0.58 0.02 0.00 0.00 177.57 178.77 2uuu h VAL 409 N -0.77 0.73 -0.08 2.57 2.07 -1.18 -1.07 116.25 118.52 2uuu h VAL 409 Ca -0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2uuu h VAL 409 Cb 0.72 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2uuu h VAL 409 CO 0.00 0.07 -0.25 0.44 0.02 0.00 0.00 177.57 177.85 2uuu h ASP 410 N 0.36 -0.77 -0.61 0.57 3.32 -1.20 0.10 116.42 118.20 2uuu h ASP 410 Ca 0.31 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 2uuu h ASP 410 Cb 0.42 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 2uuu h ASP 410 CO -0.34 -0.31 0.38 0.15 -1.72 0.00 0.00 179.24 177.40 2uuu h PHE 411 N -0.35 0.79 -0.27 4.55 3.57 -1.25 -2.24 116.94 121.74 2uuu h PHE 411 Ca 0.09 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2uuu h PHE 411 Cb 0.47 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2uuu h PHE 411 CO -0.33 0.52 -0.18 0.45 -2.23 0.00 0.00 178.31 176.54 2uuu h HIS 412 N 0.82 0.71 0.18 0.41 3.86 -1.02 -2.60 115.15 117.51 2uuu h HIS 412 Ca 0.22 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2uuu h HIS 412 Cb -0.05 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 2uuu h HIS 412 CO -0.02 0.88 -0.14 -0.09 0.86 0.00 0.00 177.93 179.41 2uuu h ARG 413 N 0.34 -0.32 -0.90 2.45 2.43 -0.89 -0.35 114.38 117.15 2uuu h ARG 413 Ca 0.05 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2uuu h ARG 413 Cb 0.72 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 2uuu h ARG 413 CO 0.05 -0.21 0.57 0.00 -1.51 0.00 0.00 179.97 178.86 2uuu h THR 414 N -0.33 1.07 0.18 0.20 1.03 -1.46 -0.55 112.91 113.05 2uuu h THR 414 Ca -0.01 -0.36 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 2uuu h THR 414 Cb 0.30 -0.07 0.00 0.00 -1.07 0.00 0.00 68.15 67.31 2uuu h THR 414 CO -0.01 0.19 -0.09 -1.28 -0.01 0.00 0.00 175.52 174.32 2uuu h SER 415 N 1.04 -0.21 -0.34 0.00 0.87 -1.14 -2.12 113.55 111.66 2uuu h SER 415 Ca 0.38 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2uuu h SER 415 Cb 0.14 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2uuu h SER 415 CO -0.16 0.04 0.22 0.58 -0.53 0.00 0.00 176.83 176.97 2uuu h VAL 416 N -0.46 1.07 -1.00 2.23 2.07 -0.89 -2.56 116.25 116.71 2uuu h VAL 416 Ca -0.03 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2uuu h VAL 416 Cb 0.35 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2uuu h VAL 416 CO 0.04 0.08 0.65 -0.26 0.02 0.00 0.00 177.57 178.10 2uuu h PHE 417 N 0.44 1.22 -0.05 1.57 -1.00 -1.09 0.60 116.94 118.64 2uuu h PHE 417 Ca 0.13 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.95 2uuu h PHE 417 Cb -0.04 -0.41 -0.02 0.00 3.61 0.00 0.00 35.95 39.10 2uuu h PHE 417 CO -0.06 0.70 -0.06 0.22 -1.61 0.00 0.00 178.31 177.50 2uuu h ASP 418 N 1.26 -0.17 -0.58 2.17 1.82 -1.14 -1.08 116.42 118.70 2uuu h ASP 418 Ca 0.40 0.03 0.05 0.00 -0.39 0.00 0.00 57.03 57.12 2uuu h ASP 418 Cb 0.01 0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.06 2uuu h ASP 418 CO -0.13 -0.08 0.31 0.40 -1.61 0.00 0.00 179.24 178.13 2uuu h ILE 419 N -0.07 0.98 -0.39 2.25 2.04 -1.02 -2.84 117.51 118.46 2uuu h ILE 419 Ca 0.04 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2uuu h ILE 419 Cb 0.13 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2uuu h ILE 419 CO -0.09 0.11 0.05 -0.07 0.00 0.00 0.00 178.15 178.14 2uuu h LEU 420 N 0.59 -0.05 -2.42 1.44 3.38 -0.60 -2.12 115.31 115.54 2uuu h LEU 420 Ca 0.25 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2uuu h LEU 420 Cb 0.14 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2uuu h LEU 420 CO -0.16 0.01 -0.01 0.77 0.09 0.00 0.00 178.44 179.14 2uuu h SER 421 N 0.17 0.00 0.17 -0.43 4.64 -0.97 -0.21 113.55 116.91 2uuu h SER 421 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2uuu h SER 421 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2uuu h SER 421 CO -0.28 0.01 -0.04 0.29 -0.87 0.00 0.00 176.83 175.94 2uuu n LYS 422 N -3.87 0.98 -0.45 4.77 5.02 -0.80 -3.71 118.16 120.10 2uuu n LYS 422 Ca -0.03 -0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.05 2uuu n LYS 422 Cb 0.09 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.73 2uuu n LYS 422 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2uuu n ASN 423 N -0.77 1.61 -1.76 4.39 3.02 -0.13 -4.99 115.26 116.64 2uuu n ASN 423 Ca 0.19 -3.00 -0.14 0.00 -0.03 0.00 0.00 54.58 51.59 2uuu n ASN 423 Cb 0.23 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2uuu n ASN 423 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uuu n ALA 424 N -0.88 -0.49 -1.90 5.41 0.00 -1.18 -4.70 120.51 116.77 2uuu n ALA 424 Ca 0.13 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2uuu n ALA 424 Cb 0.72 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 2uuu n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uuu s ALA 425 N -2.78 3.44 -0.25 0.00 0.00 -0.99 -4.36 121.76 116.81 2uuu s ALA 425 Ca 0.06 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 2uuu s ALA 425 Cb -0.03 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2uuu s ALA 425 CO 0.08 -0.33 -0.04 0.12 0.00 0.00 0.00 175.76 175.59 2uuu s PHE 426 N -0.63 3.07 0.14 0.00 5.36 0.66 -4.74 117.98 121.84 2uuu s PHE 426 Ca 0.49 -1.48 -0.31 0.00 -0.96 0.00 0.00 56.93 54.67 2uuu s PHE 426 Cb -0.33 -2.08 -0.09 0.00 -0.34 0.00 0.00 43.02 40.18 2uuu s PHE 426 CO 0.41 -0.71 1.44 0.20 -1.46 0.00 0.00 175.22 175.10 2uuu s GLY 427 N 1.35 1.90 0.00 13.12 0.00 -1.26 -0.70 107.32 121.73 2uuu s GLY 427 Ca 0.00 1.20 0.22 0.00 0.00 0.00 0.00 44.72 46.15 2uuu s GLY 427 CO -0.04 2.41 1.19 1.04 0.00 0.00 0.00 173.10 177.70 2uuu n LEU 428 N 3.78 2.81 0.00 0.66 4.77 0.09 -4.94 117.00 124.19 2uuu n LEU 428 Ca 0.12 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2uuu n LEU 428 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2uuu n LEU 428 CO 0.59 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2uuu n GLY 429 N 1.23 -2.26 0.00 -0.72 0.00 -1.25 -4.79 105.19 97.39 2uuu n GLY 429 Ca 0.13 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2uuu n GLY 429 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uuu n SER 430 N 0.16 0.00 -3.64 1.61 3.41 -1.26 -2.15 113.62 111.75 2uuu n SER 430 Ca 0.00 -0.76 -0.07 0.00 -0.26 0.00 0.00 58.87 57.78 2uuu n SER 430 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2uuu n SER 430 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uuu s ALA 431 N -3.08 -2.08 -0.37 7.33 0.00 -1.16 -4.85 121.76 117.55 2uuu s ALA 431 Ca 0.00 2.00 -0.45 0.00 0.00 0.00 0.00 51.96 53.51 2uuu s ALA 431 Cb 0.00 -1.54 -0.20 0.00 0.00 0.00 0.00 23.12 21.39 2uuu s ALA 431 CO 0.00 -0.27 1.51 -2.30 0.00 0.00 0.00 175.76 174.69 2uuu n PRO 432 N 2.77 0.13 0.00 0.00 -0.02 -1.26 -4.63 135.00 131.99 2uuu n PRO 432 Ca -0.15 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2uuu n PRO 432 Cb 0.57 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 2uuu n PRO 432 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uuu n GLY 433 N 3.52 -0.54 1.61 -1.23 0.00 -1.26 -3.88 105.19 103.41 2uuu n GLY 433 Ca 0.28 -1.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 2uuu n GLY 433 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uuu n LYS 434 N -0.69 3.41 0.13 1.61 5.02 -1.26 -4.68 118.16 121.70 2uuu n LYS 434 Ca 0.00 -2.28 -0.00 0.00 -2.02 0.00 0.00 58.31 54.01 2uuu n LYS 434 Cb 0.00 -2.02 0.14 0.00 -0.02 0.00 0.00 35.03 33.13 2uuu n LYS 434 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2uuu h THR 435 N 2.41 1.28 -0.49 -0.18 2.02 -1.87 -2.35 112.91 113.72 2uuu h THR 435 Ca 0.11 -2.24 -0.12 0.00 0.77 0.00 0.00 66.41 64.92 2uuu h THR 435 Cb 1.77 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 70.43 2uuu h THR 435 CO 0.47 0.61 -0.16 -0.50 0.37 0.00 0.00 175.52 176.30 2uuu h TRP 436 N 0.00 1.12 0.00 3.16 4.06 -1.85 -1.76 115.95 120.68 2uuu h TRP 436 Ca -0.01 -0.25 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2uuu h TRP 436 Cb 1.22 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 2uuu h TRP 436 CO 0.00 1.07 0.00 0.00 -3.56 0.00 0.00 178.44 175.95 2uuu n ALA 437 N -2.50 2.25 0.83 1.49 0.00 -1.01 -3.29 120.51 118.27 2uuu n ALA 437 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.40 2uuu n ALA 437 Cb 0.43 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 2uuu n ALA 437 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2uuu n GLU 438 N -1.02 1.20 0.19 0.00 1.02 -0.67 -4.28 120.64 117.08 2uuu n GLU 438 Ca 0.15 -0.05 0.18 0.00 -0.02 0.00 0.00 57.16 57.43 2uuu n GLU 438 Cb 0.08 -1.33 0.81 0.00 -0.02 0.00 0.00 31.44 30.97 2uuu n GLU 438 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2uuu h LYS 439 N 0.10 0.00 -0.47 3.49 3.11 -1.52 -0.43 116.57 120.85 2uuu h LYS 439 Ca 0.00 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.95 2uuu h LYS 439 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 2uuu h LYS 439 CO 0.00 0.00 0.33 0.07 -2.81 0.00 0.00 179.45 177.04 2uuu h ARG 440 N 0.00 0.16 0.00 1.90 0.11 -1.83 -1.85 114.38 112.87 2uuu h ARG 440 Ca 0.11 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 2uuu h ARG 440 Cb 0.77 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.81 2uuu h ARG 440 CO -0.00 0.11 -0.03 1.88 0.10 0.00 0.00 179.97 182.03 2uuu h TYR 441 N 0.17 0.00 0.00 4.08 0.99 -1.31 -2.91 116.97 117.99 2uuu h TYR 441 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 2uuu h TYR 441 Cb 0.65 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.38 2uuu h TYR 441 CO -0.00 0.03 -0.50 -0.44 -0.00 0.00 0.00 178.16 177.25 2uuu h ASP 442 N 0.00 0.00 -0.76 3.88 3.45 -1.51 -3.39 116.42 118.08 2uuu h ASP 442 Ca -0.00 -0.01 0.15 0.00 0.43 0.00 0.00 57.03 57.59 2uuu h ASP 442 Cb 0.35 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.03 2uuu h ASP 442 CO 0.00 0.01 0.30 -0.07 -1.57 0.00 0.00 179.24 177.92 2uuu h LEU 443 N 0.00 0.28 -2.13 1.55 3.38 -1.58 -1.35 115.31 115.45 2uuu h LEU 443 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2uuu h LEU 443 Cb 0.97 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2uuu h LEU 443 CO 0.00 0.10 0.00 -0.65 0.09 0.00 0.00 178.44 177.98 2uuu h PRO 444 N 0.44 0.00 -0.08 1.13 0.11 -1.81 -0.93 132.00 130.87 2uuu h PRO 444 Ca 0.42 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.35 2uuu h PRO 444 Cb 0.64 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2uuu h PRO 444 CO -0.41 0.00 -0.71 1.88 -0.21 0.00 0.00 178.00 178.55 2uuu h TYR 445 N 0.00 0.50 -0.53 0.65 -1.99 -1.53 -2.99 116.97 111.09 2uuu h TYR 445 Ca 0.00 -0.22 -0.09 0.00 2.00 0.00 0.00 58.73 60.42 2uuu h TYR 445 Cb 0.21 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 2uuu h TYR 445 CO 0.00 0.96 -0.03 0.82 -0.00 0.00 0.00 178.16 179.91 2uuu h ILE 446 N 0.26 1.26 -0.68 -2.88 2.04 -1.14 -3.02 117.51 113.34 2uuu h ILE 446 Ca -0.03 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 64.79 2uuu h ILE 446 Cb 1.27 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 2uuu h ILE 446 CO 0.12 0.40 0.36 -0.09 0.00 0.00 0.00 178.15 178.94 2uuu h ARG 447 N 0.84 0.62 -0.94 2.37 2.43 -1.31 -1.42 114.38 116.97 2uuu h ARG 447 Ca 0.15 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 2uuu h ARG 447 Cb 0.54 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 2uuu h ARG 447 CO 0.03 0.41 0.59 -0.44 -1.51 0.00 0.00 179.97 179.05 2uuu h ASP 448 N 0.64 0.92 -0.51 -3.80 3.32 -1.45 -0.56 116.42 114.98 2uuu h ASP 448 Ca 0.32 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 2uuu h ASP 448 Cb 0.27 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2uuu h ASP 448 CO -0.22 0.57 0.01 0.15 -1.72 0.00 0.00 179.24 178.02 2uuu h PHE 449 N 1.04 0.97 -0.74 4.55 3.04 -1.20 -1.55 116.94 123.05 2uuu h PHE 449 Ca 0.42 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 2uuu h PHE 449 Cb 0.24 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 2uuu h PHE 449 CO -0.02 0.90 0.43 -0.07 -2.02 0.00 0.00 178.31 177.54 2uuu h LEU 450 N 0.76 0.91 -1.51 0.59 3.38 -0.88 -2.42 115.31 116.14 2uuu h LEU 450 Ca 0.14 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2uuu h LEU 450 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2uuu h LEU 450 CO 0.02 0.72 -0.23 -0.07 0.09 0.00 0.00 178.44 178.98 2uuu h LEU 451 N 1.02 0.02 -0.89 1.67 3.38 -0.93 -0.76 115.31 118.83 2uuu h LEU 451 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2uuu h LEU 451 Cb -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2uuu h LEU 451 CO -0.05 0.25 0.00 0.44 0.09 0.00 0.00 178.44 179.18 2uuu h ASP 452 N 0.02 0.00 -1.09 -0.43 3.32 -0.79 -3.37 116.42 114.08 2uuu h ASP 452 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 2uuu h ASP 452 Cb 0.42 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.56 2uuu h ASP 452 CO 0.03 0.00 -0.95 1.41 -1.72 0.00 0.00 179.24 178.01 2uuu n HIS 453 N -2.69 2.27 -1.38 4.55 8.25 -0.40 -1.10 115.22 124.72 2uuu n HIS 453 Ca 0.02 -2.75 -0.11 0.00 -0.26 0.00 0.00 57.72 54.63 2uuu n HIS 453 Cb 0.31 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 2uuu n HIS 453 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2uuu n ASN 454 N -0.39 -4.24 -4.42 0.41 5.15 -1.17 -4.59 115.26 106.01 2uuu n ASN 454 Ca 0.25 0.25 -0.21 0.00 -0.60 0.00 0.00 54.58 54.27 2uuu n ASN 454 Cb 0.78 -2.74 -0.10 0.00 -0.53 0.00 0.00 39.78 37.18 2uuu n ASN 454 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2uuu s MET 455 N -3.03 1.53 0.05 1.20 -1.94 -0.55 -0.29 119.30 116.28 2uuu s MET 455 Ca 0.00 -1.77 -0.06 0.00 -1.71 0.00 0.00 55.69 52.15 2uuu s MET 455 Cb 0.00 -1.13 -0.01 0.00 2.01 0.00 0.00 34.83 35.70 2uuu s MET 455 CO 0.00 0.04 0.11 1.67 -0.01 0.00 0.00 175.02 176.83 2uuu s TRP 456 N -3.03 0.23 -0.08 -0.03 1.48 -0.58 -3.53 118.94 113.40 2uuu s TRP 456 Ca 0.29 -0.60 -0.05 0.00 -1.06 0.00 0.00 56.10 54.67 2uuu s TRP 456 Cb 0.03 -0.15 0.03 0.00 -1.16 0.00 0.00 33.47 32.22 2uuu s TRP 456 CO 0.11 -0.43 0.19 0.54 -4.06 0.00 0.00 176.95 173.31 2uuu s VAL 457 N -3.20 -0.02 0.33 -0.66 0.11 -1.26 -1.90 120.40 113.80 2uuu s VAL 457 Ca 0.00 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 2uuu s VAL 457 Cb 0.02 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2uuu s VAL 457 CO -0.07 0.03 0.13 -0.62 -3.33 0.00 0.00 175.10 171.24 2uuu s ASP 458 N 0.67 1.95 0.11 3.54 3.68 -0.00 -4.79 116.67 121.82 2uuu s ASP 458 Ca -0.05 -1.55 0.05 0.00 2.13 0.00 0.00 52.55 53.14 2uuu s ASP 458 Cb -0.06 0.33 -0.04 0.00 -1.45 0.00 0.00 42.92 41.70 2uuu s ASP 458 CO -0.04 -0.84 -0.12 0.68 0.13 0.00 0.00 175.17 174.98 2uuu s VAL 459 N -3.47 1.14 -0.10 1.11 -7.23 -1.26 -0.68 120.40 109.91 2uuu s VAL 459 Ca 0.33 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2uuu s VAL 459 Cb 0.05 -1.44 0.04 0.00 0.56 0.00 0.00 36.38 35.59 2uuu s VAL 459 CO 0.16 -0.48 0.23 0.00 -0.31 0.00 0.00 175.10 174.70 2uuu s ALA 460 N -2.26 -0.54 0.03 1.32 0.00 -0.69 -5.01 121.76 114.61 2uuu s ALA 460 Ca 0.07 0.86 0.09 0.00 0.00 0.00 0.00 51.96 52.98 2uuu s ALA 460 Cb -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2uuu s ALA 460 CO 0.02 -0.16 -0.26 -2.00 0.00 0.00 0.00 175.76 173.35 2uuu s GLU 461 N 0.86 1.85 0.05 0.00 2.12 -1.26 -0.48 118.70 121.84 2uuu s GLU 461 Ca -0.06 -1.08 -0.27 0.00 0.36 0.00 0.00 54.97 53.92 2uuu s GLU 461 Cb -0.07 -1.98 0.08 0.00 0.26 0.00 0.00 34.13 32.41 2uuu s GLU 461 CO -0.05 0.52 0.68 -0.08 -0.54 0.00 0.00 175.26 175.79 2uuu s THR 462 N -0.77 0.00 -0.15 -1.70 -1.32 -0.61 -4.78 115.64 106.31 2uuu s THR 462 Ca 0.11 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 2uuu s THR 462 Cb -0.10 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 2uuu s THR 462 CO 0.01 0.00 0.11 0.42 -2.21 0.00 0.00 174.62 172.96 2uuu s THR 463 N -2.62 5.27 -0.03 5.08 -4.23 -1.26 -0.45 115.64 117.41 2uuu s THR 463 Ca -0.03 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 2uuu s THR 463 Cb -0.01 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.50 2uuu s THR 463 CO -0.04 0.53 0.09 0.54 -0.54 0.00 0.00 174.62 175.21 2uuu s VAL 464 N -0.34 0.02 0.84 2.29 0.11 -0.66 -2.84 120.40 119.82 2uuu s VAL 464 Ca 0.11 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 2uuu s VAL 464 Cb -0.12 -0.20 0.10 0.00 -1.53 0.00 0.00 36.38 34.63 2uuu s VAL 464 CO 0.01 -0.11 1.09 -0.94 -3.33 0.00 0.00 175.10 171.83 2uuu s SER 465 N -0.31 3.90 0.41 3.54 1.04 -1.26 -1.24 113.70 119.78 2uuu s SER 465 Ca -0.04 1.67 0.17 0.00 0.48 0.00 0.00 55.95 58.23 2uuu s SER 465 Cb -0.03 -2.35 0.90 0.00 0.10 0.00 0.00 66.02 64.65 2uuu s SER 465 CO 0.00 -2.39 1.88 1.88 0.98 0.00 0.00 173.24 175.59 2uuu h TYR 466 N -1.38 0.00 0.00 5.02 -1.99 -1.65 -0.35 116.97 116.61 2uuu h TYR 466 Ca -0.47 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.21 2uuu h TYR 466 Cb 1.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.98 2uuu h TYR 466 CO 0.50 0.30 -0.28 0.00 -0.00 0.00 0.00 178.16 178.68 2uuu h ALA 467 N 1.70 0.92 0.00 3.88 0.00 -1.92 -3.16 119.26 120.68 2uuu h ALA 467 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2uuu h ALA 467 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2uuu h ALA 467 CO 0.04 0.35 -1.96 0.09 0.00 0.00 0.00 179.25 177.77 2uuu n ASN 468 N -3.31 0.07 -0.14 0.00 3.02 -1.05 -4.76 115.26 109.08 2uuu n ASN 468 Ca 0.01 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 2uuu n ASN 468 Cb 0.53 1.80 -0.04 0.00 -0.61 0.00 0.00 39.78 41.45 2uuu n ASN 468 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2uuu h LEU 469 N 0.00 -1.42 -0.70 3.41 5.85 -1.03 -0.27 115.31 121.15 2uuu h LEU 469 Ca -0.04 0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 2uuu h LEU 469 Cb 1.10 0.63 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2uuu h LEU 469 CO 0.00 -0.36 -0.62 1.56 -0.34 0.00 0.00 178.44 178.68 2uuu h GLN 470 N -0.30 0.00 0.02 1.25 4.20 -1.86 -0.08 115.11 118.34 2uuu h GLN 470 Ca 0.15 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.65 2uuu h GLN 470 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2uuu h GLN 470 CO -0.60 0.62 -0.95 1.79 -0.67 0.00 0.00 178.83 179.02 2uuu h THR 471 N 0.00 1.51 0.18 -0.54 1.35 -1.77 -1.79 112.91 111.85 2uuu h THR 471 Ca -0.01 -2.75 -0.01 0.00 -0.55 0.00 0.00 66.41 63.09 2uuu h THR 471 Cb 1.14 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 2uuu h THR 471 CO 0.08 0.80 -0.09 0.25 -0.25 0.00 0.00 175.52 176.31 2uuu h LEU 472 N 0.10 -0.21 -0.23 3.87 5.85 -0.83 -1.22 115.31 122.64 2uuu h LEU 472 Ca -0.06 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2uuu h LEU 472 Cb 1.61 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.62 2uuu h LEU 472 CO 0.15 0.04 -0.42 -0.25 -0.34 0.00 0.00 178.44 177.62 2uuu h TRP 473 N -0.46 -1.21 -0.50 1.25 7.01 -1.08 0.33 115.95 121.30 2uuu h TRP 473 Ca -0.03 0.06 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2uuu h TRP 473 Cb 0.35 0.56 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 2uuu h TRP 473 CO -0.00 -0.46 0.15 -0.22 -2.79 0.00 0.00 178.44 175.12 2uuu h LYS 474 N -0.43 0.78 -0.09 2.65 3.64 -1.38 -2.64 116.57 119.10 2uuu h LYS 474 Ca 0.10 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2uuu h LYS 474 Cb 0.61 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2uuu h LYS 474 CO -0.46 0.73 -0.05 0.22 -2.27 0.00 0.00 179.45 177.61 2uuu h ASP 475 N 0.67 0.20 -0.48 4.20 1.82 -1.03 -1.70 116.42 120.11 2uuu h ASP 475 Ca 0.16 -0.43 0.06 0.00 -0.39 0.00 0.00 57.03 56.43 2uuu h ASP 475 Cb 0.28 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.18 2uuu h ASP 475 CO -0.00 0.59 0.17 0.00 -1.61 0.00 0.00 179.24 178.38 2uuu h ALA 476 N 0.62 0.58 -0.14 -0.78 0.00 -0.99 0.94 119.26 119.49 2uuu h ALA 476 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2uuu h ALA 476 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2uuu h ALA 476 CO 0.02 -0.23 0.06 0.87 0.00 0.00 0.00 179.25 179.97 2uuu h LYS 477 N 0.34 0.20 -0.07 0.00 1.57 -1.43 -0.88 116.57 116.29 2uuu h LYS 477 Ca 0.23 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2uuu h LYS 477 Cb 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2uuu h LYS 477 CO -0.24 0.27 0.01 1.96 -0.57 0.00 0.00 179.45 180.89 2uuu h GLN 478 N 0.08 0.12 -0.72 3.15 4.20 -1.20 -2.78 115.11 117.96 2uuu h GLN 478 Ca 0.05 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.76 2uuu h GLN 478 Cb 0.14 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 2uuu h GLN 478 CO -0.01 0.33 0.44 1.15 -0.67 0.00 0.00 178.83 180.08 2uuu h THR 479 N -0.11 1.07 0.10 -0.54 2.02 -0.77 -1.31 112.91 113.36 2uuu h THR 479 Ca 0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2uuu h THR 479 Cb 0.27 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2uuu h THR 479 CO 0.00 0.15 -0.05 0.15 0.37 0.00 0.00 175.52 176.15 2uuu h PHE 480 N 0.85 -0.12 -0.44 3.16 3.57 -1.14 -1.58 116.94 121.24 2uuu h PHE 480 Ca 0.30 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2uuu h PHE 480 Cb 0.06 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2uuu h PHE 480 CO -0.05 0.03 0.19 0.28 -2.23 0.00 0.00 178.31 176.54 2uuu h VAL 481 N -0.25 1.19 -0.60 1.41 2.07 -1.41 -3.07 116.25 115.60 2uuu h VAL 481 Ca -0.01 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2uuu h VAL 481 Cb 0.20 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2uuu h VAL 481 CO 0.02 0.21 0.30 0.50 0.02 0.00 0.00 177.57 178.62 2uuu h LYS 482 N 0.57 0.86 -0.90 1.57 3.64 -1.24 0.16 116.57 121.23 2uuu h LYS 482 Ca 0.15 -0.12 0.24 0.00 -1.27 0.00 0.00 60.65 59.65 2uuu h LYS 482 Cb 0.16 -0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 2uuu h LYS 482 CO -0.02 0.69 0.31 1.25 -2.27 0.00 0.00 179.45 179.41 2uuu h HIS 483 N 0.82 0.48 0.10 1.91 2.76 -1.18 -0.37 115.15 119.67 2uuu h HIS 483 Ca 0.21 0.05 -0.35 0.00 -2.20 0.00 0.00 60.37 58.08 2uuu h HIS 483 Cb 0.11 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 2uuu h HIS 483 CO -0.00 -0.18 -1.91 1.19 -1.30 0.00 0.00 177.93 175.73 2uuu n PHE 484 N -5.17 1.16 -0.17 5.26 3.01 -1.06 -3.98 117.46 116.51 2uuu n PHE 484 Ca 0.23 0.28 0.04 0.00 1.01 0.00 0.00 57.45 59.01 2uuu n PHE 484 Cb 0.72 -1.15 0.32 0.00 -0.01 0.00 0.00 39.48 39.37 2uuu n PHE 484 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2uuu h LYS 485 N -0.11 0.80 0.00 -1.08 3.11 -0.40 0.21 116.57 119.11 2uuu h LYS 485 Ca -0.42 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2uuu h LYS 485 Cb 1.91 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 2uuu h LYS 485 CO 0.03 0.53 0.00 -0.25 -2.81 0.00 0.00 179.45 176.95 2uuu n ASP 486 N -4.46 0.00 -0.97 4.20 9.92 -0.17 -1.06 116.55 124.01 2uuu n ASP 486 Ca 0.09 0.46 0.10 0.00 -0.53 0.00 0.00 54.79 54.91 2uuu n ASP 486 Cb 0.13 -0.48 0.16 0.00 -0.64 0.00 0.00 41.12 40.30 2uuu n ASP 486 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2uuu n GLN 487 N -1.48 2.22 -1.14 -1.24 6.02 0.23 -4.95 117.38 117.04 2uuu n GLN 487 Ca 0.04 -2.04 -0.05 0.00 -0.01 0.00 0.00 57.00 54.94 2uuu n GLN 487 Cb 0.18 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 2uuu n GLN 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uuu n GLY 488 N 1.25 0.70 3.68 1.08 0.00 -0.22 -5.02 105.19 106.65 2uuu n GLY 488 Ca 0.16 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2uuu n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 489 N -1.94 5.21 0.38 -0.61 1.01 0.50 -4.95 121.20 120.81 2uuu s ILE 489 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.51 2uuu s ILE 489 Cb 0.00 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 2uuu s ILE 489 CO 0.00 0.41 1.19 -2.16 0.00 0.00 0.00 174.94 174.38 2uuu s PRO 490 N 0.61 4.12 -0.01 2.79 0.04 -1.26 -2.56 135.00 138.73 2uuu s PRO 490 Ca 0.07 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 2uuu s PRO 490 Cb -0.12 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.67 2uuu s PRO 490 CO 0.01 -0.28 0.20 0.00 0.04 0.00 0.00 177.00 176.97 2uuu s ALA 491 N -1.35 -0.50 -0.01 8.56 0.00 -1.26 -3.85 121.76 123.34 2uuu s ALA 491 Ca 0.55 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2uuu s ALA 491 Cb -0.32 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2uuu s ALA 491 CO 0.41 -0.21 -0.04 -0.46 0.00 0.00 0.00 175.76 175.46 2uuu s TRP 492 N -1.18 0.44 0.01 0.00 -0.00 -0.54 -4.89 118.94 112.78 2uuu s TRP 492 Ca -0.13 -0.08 0.01 0.00 -0.00 0.00 0.00 56.10 55.90 2uuu s TRP 492 Cb -0.06 -0.34 -0.01 0.00 -0.00 0.00 0.00 33.47 33.06 2uuu s TRP 492 CO 0.02 -0.05 -0.03 -1.50 -0.00 0.00 0.00 176.95 175.40 2uuu s ILE 493 N 0.20 0.17 0.30 5.86 2.07 -1.26 -0.54 121.20 127.99 2uuu s ILE 493 Ca -0.02 -0.35 0.05 0.00 -1.41 0.00 0.00 60.65 58.92 2uuu s ILE 493 Cb -0.05 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 2uuu s ILE 493 CO -0.00 -0.12 0.25 0.00 -1.91 0.00 0.00 174.94 173.16 2uuu s ALA 495 N -3.61 -1.37 0.14 0.00 0.00 -1.26 -1.07 121.76 114.59 2uuu s ALA 495 Ca 0.40 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.59 2uuu s ALA 495 Cb 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2uuu s ALA 495 CO 0.24 -0.30 -0.09 -3.38 0.00 0.00 0.00 175.76 172.23 2uuu s HIS 496 N -0.59 1.17 -0.20 0.00 -3.43 -0.18 -0.04 115.29 112.03 2uuu s HIS 496 Ca -0.07 -0.81 -0.03 0.00 -0.80 0.00 0.00 55.06 53.35 2uuu s HIS 496 Cb -0.03 -0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 30.50 2uuu s HIS 496 CO 0.05 0.01 -0.07 0.42 -2.00 0.00 0.00 174.74 173.14 2uuu s ILE 497 N -3.42 3.21 -0.02 -5.38 1.01 0.11 -1.07 121.20 115.64 2uuu s ILE 497 Ca 0.16 -0.56 0.14 0.00 0.00 0.00 0.00 60.65 60.38 2uuu s ILE 497 Cb 0.03 -2.43 -0.21 0.00 0.01 0.00 0.00 42.46 39.87 2uuu s ILE 497 CO -0.01 0.46 0.29 -1.54 0.00 0.00 0.00 174.94 174.15 2uuu n SER 498 N 4.48 1.91 -4.02 3.58 3.41 -1.22 -1.02 113.62 120.74 2uuu n SER 498 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 2uuu n SER 498 Cb 0.51 1.61 -0.11 0.00 -0.26 0.00 0.00 64.21 65.97 2uuu n SER 498 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2uuu s HIS 499 N -2.93 0.36 0.17 7.33 3.76 -1.26 -4.68 115.29 118.03 2uuu s HIS 499 Ca -0.05 -0.74 0.08 0.00 -0.15 0.00 0.00 55.06 54.20 2uuu s HIS 499 Cb 0.09 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 2uuu s HIS 499 CO 0.56 -0.27 -0.17 0.95 -0.85 0.00 0.00 174.74 174.96 2uuu s THR 500 N -2.48 1.75 0.40 1.30 -4.23 -1.26 -1.89 115.64 109.23 2uuu s THR 500 Ca -0.06 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 2uuu s THR 500 Cb -0.02 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 2uuu s THR 500 CO -0.05 -0.38 0.16 -1.22 -0.54 0.00 0.00 174.62 172.60 2uuu n TYR 501 N 0.20 0.04 -0.19 3.99 4.02 0.10 -4.97 117.16 120.34 2uuu n TYR 501 Ca -0.12 -2.62 -0.02 0.00 -0.01 0.00 0.00 57.90 55.13 2uuu n TYR 501 Cb 0.58 0.03 0.08 0.00 -0.02 0.00 0.00 39.34 40.01 2uuu n TYR 501 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2uuu h THR 502 N 1.71 0.87 -0.02 -0.72 2.02 -2.01 -3.15 112.91 111.61 2uuu h THR 502 Ca -0.31 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2uuu h THR 502 Cb 1.20 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2uuu h THR 502 CO 0.48 0.09 0.00 -3.20 0.37 0.00 0.00 175.52 173.26 2uuu n ASN 503 N -4.92 2.49 -1.46 4.18 5.15 -1.26 -5.01 115.26 114.43 2uuu n ASN 503 Ca 0.07 -3.06 0.01 0.00 -0.60 0.00 0.00 54.58 51.00 2uuu n ASN 503 Cb 0.20 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 2uuu n ASN 503 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2uuu n GLY 504 N -1.33 0.52 3.20 8.20 0.00 -1.19 -1.63 105.19 112.96 2uuu n GLY 504 Ca 0.16 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2uuu n GLY 504 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uuu s VAL 505 N -2.10 0.43 -0.43 1.61 -7.23 -0.38 0.00 120.40 112.30 2uuu s VAL 505 Ca 0.05 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 2uuu s VAL 505 Cb -0.00 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.90 2uuu s VAL 505 CO -0.00 -0.49 0.65 0.00 -0.31 0.00 0.00 175.10 174.94 2uuu s LEU 507 N 2.82 4.13 -0.26 0.00 2.96 0.41 -3.41 118.68 125.33 2uuu s LEU 507 Ca 0.23 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2uuu s LEU 507 Cb -0.14 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.50 2uuu s LEU 507 CO 0.19 0.12 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.78 2uuu s TYR 508 N 0.75 3.17 -0.01 5.38 6.14 -0.24 -1.57 117.35 130.97 2uuu s TYR 508 Ca 0.08 -1.95 -0.13 0.00 0.64 0.00 0.00 57.07 55.71 2uuu s TYR 508 Cb -0.12 -2.01 -0.05 0.00 0.42 0.00 0.00 41.96 40.19 2uuu s TYR 508 CO 0.02 -0.82 0.35 -0.06 0.64 0.00 0.00 175.55 175.68 2uuu s PHE 509 N 1.22 3.69 -0.16 4.97 0.40 0.37 -1.01 117.98 127.46 2uuu s PHE 509 Ca -0.04 0.88 0.02 0.00 -0.60 0.00 0.00 56.93 57.18 2uuu s PHE 509 Cb -0.18 -2.20 0.01 0.00 0.51 0.00 0.00 43.02 41.16 2uuu s PHE 509 CO -0.05 0.65 -0.20 0.42 0.70 0.00 0.00 175.22 176.74 2uuu s ILE 510 N -1.11 2.14 -0.01 0.64 1.01 -0.23 -1.70 121.20 121.94 2uuu s ILE 510 Ca 0.23 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2uuu s ILE 510 Cb -0.15 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 2uuu s ILE 510 CO 0.12 0.54 -0.08 0.72 0.00 0.00 0.00 174.94 176.24 2uuu s PHE 511 N 1.01 0.76 0.05 3.97 -0.71 0.14 -0.94 117.98 122.26 2uuu s PHE 511 Ca -0.02 -0.15 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 2uuu s PHE 511 Cb -0.15 -0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 41.14 2uuu s PHE 511 CO -0.06 -0.03 -0.08 0.00 -1.34 0.00 0.00 175.22 173.71 2uuu s ALA 512 N -0.09 0.62 0.02 1.99 0.00 0.30 -0.82 121.76 123.77 2uuu s ALA 512 Ca 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2uuu s ALA 512 Cb -0.04 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2uuu s ALA 512 CO -0.00 -0.04 0.03 0.45 0.00 0.00 0.00 175.76 176.19 2uuu n SER 513 N 1.29 -0.08 -4.88 0.00 2.88 -0.80 -1.47 113.62 110.56 2uuu n SER 513 Ca -0.22 -1.07 -0.32 0.00 -1.33 0.00 0.00 58.87 55.93 2uuu n SER 513 Cb 0.55 0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 64.10 2uuu n SER 513 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2uuu s LYS 514 N -2.02 3.79 0.24 -1.46 1.02 -1.25 -1.53 119.74 118.54 2uuu s LYS 514 Ca 0.01 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 2uuu s LYS 514 Cb -0.00 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 2uuu s LYS 514 CO 0.01 0.31 1.19 -0.65 -0.92 0.00 0.00 175.35 175.29 2uuu s GLN 515 N -2.84 4.51 -0.01 1.68 -0.21 0.61 -4.79 119.66 118.61 2uuu s GLN 515 Ca 0.47 1.92 -0.00 0.00 0.02 0.00 0.00 55.36 57.78 2uuu s GLN 515 Cb -0.11 -3.19 -0.00 0.00 1.00 0.00 0.00 33.01 30.71 2uuu s GLN 515 CO 0.21 -0.01 0.03 -2.95 -2.12 0.00 0.00 175.29 170.45 2uuu h ASN 516 N 4.43 -0.00 0.00 5.90 7.08 -1.97 -3.47 115.58 127.54 2uuu h ASN 516 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 2uuu h ASN 516 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 2uuu h ASN 516 CO 0.70 0.04 0.00 0.00 -2.08 0.00 0.00 177.43 176.09 2uuu n ALA 522 N -2.06 0.00 0.07 4.14 0.00 -1.26 -5.17 120.51 116.23 2uuu n ALA 522 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2uuu n ALA 522 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2uuu n ALA 522 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2uuu h GLN 523 N 0.00 0.00 0.03 0.00 3.07 -2.03 -3.33 115.11 112.85 2uuu h GLN 523 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 2uuu h GLN 523 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2uuu h GLN 523 CO 0.00 0.37 -0.99 1.88 0.09 0.00 0.00 178.83 180.18 2uuu h TYR 524 N 0.00 0.40 -0.37 0.06 -1.99 -2.00 -2.56 116.97 110.51 2uuu h TYR 524 Ca -0.10 -0.24 -0.11 0.00 2.00 0.00 0.00 58.73 60.28 2uuu h TYR 524 Cb 1.51 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 40.18 2uuu h TYR 524 CO 0.00 1.09 -0.21 -0.84 -0.00 0.00 0.00 178.16 178.20 2uuu h ILE 525 N 0.12 1.27 -0.30 -2.88 -0.00 -1.99 -1.91 117.51 111.82 2uuu h ILE 525 Ca -0.07 -1.30 -0.06 0.00 -0.00 0.00 0.00 64.86 63.42 2uuu h ILE 525 Cb 1.65 1.21 -0.02 0.00 -0.00 0.00 0.00 36.82 39.67 2uuu h ILE 525 CO 0.16 0.43 -0.08 -0.08 -0.00 0.00 0.00 178.15 178.58 2uuu h GLU 526 N 0.63 0.49 0.08 0.16 4.81 -1.64 0.32 114.58 119.45 2uuu h GLU 526 Ca 0.09 -0.13 -0.25 0.00 -0.13 0.00 0.00 59.36 58.94 2uuu h GLU 526 Cb 0.70 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2uuu h GLU 526 CO 0.05 0.58 -1.15 0.00 -0.73 0.00 0.00 179.01 177.77 2uuu h ALA 527 N 1.45 0.19 -0.33 2.92 0.00 -1.43 -2.86 119.26 119.21 2uuu h ALA 527 Ca 0.09 -0.89 -0.16 0.00 0.00 0.00 0.00 54.91 53.95 2uuu h ALA 527 Cb 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2uuu h ALA 527 CO 0.02 1.07 -0.45 -0.22 0.00 0.00 0.00 179.25 179.68 2uuu h LYS 528 N 0.05 0.85 -0.42 0.00 1.63 -1.09 -2.89 116.57 114.71 2uuu h LYS 528 Ca -0.09 -0.48 -0.09 0.00 -0.85 0.00 0.00 60.65 59.14 2uuu h LYS 528 Cb 1.89 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.54 2uuu h LYS 528 CO 0.18 1.12 -0.13 -0.22 -3.45 0.00 0.00 179.45 176.95 2uuu h LYS 529 N 0.68 0.75 -0.33 1.90 3.64 -0.44 0.98 116.57 123.76 2uuu h LYS 529 Ca 0.04 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2uuu h LYS 529 Cb 1.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2uuu h LYS 529 CO 0.10 0.85 0.16 1.25 -2.27 0.00 0.00 179.45 179.54 2uuu h LEU 530 N 0.68 0.22 -0.70 5.20 6.46 -1.47 0.33 115.31 126.02 2uuu h LEU 530 Ca 0.11 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.77 2uuu h LEU 530 Cb 0.60 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2uuu h LEU 530 CO 0.04 0.17 -0.27 0.24 -0.62 0.00 0.00 178.44 178.00 2uuu h MET 531 N 0.33 0.71 -0.52 1.25 2.86 -1.31 -2.06 114.93 116.19 2uuu h MET 531 Ca 0.14 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2uuu h MET 531 Cb 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2uuu h MET 531 CO -0.10 0.90 0.19 1.15 1.06 0.00 0.00 176.91 180.10 2uuu h THR 532 N 0.61 1.22 -0.04 2.22 2.02 -0.45 -1.48 112.91 117.01 2uuu h THR 532 Ca 0.08 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2uuu h THR 532 Cb 0.77 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2uuu h THR 532 CO 0.06 0.27 0.01 0.44 0.37 0.00 0.00 175.52 176.67 2uuu h ASP 533 N 0.70 0.07 0.53 4.18 3.32 -0.27 -2.54 116.42 122.41 2uuu h ASP 533 Ca 0.17 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2uuu h ASP 533 Cb 0.23 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2uuu h ASP 533 CO -0.01 0.32 -0.32 -0.29 -1.72 0.00 0.00 179.24 177.21 2uuu h ILE 534 N -0.18 0.99 0.05 0.35 2.10 -1.37 -1.95 117.51 117.51 2uuu h ILE 534 Ca 0.01 -1.22 -0.00 0.00 1.08 0.00 0.00 64.86 64.73 2uuu h ILE 534 Cb 0.28 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 2uuu h ILE 534 CO 0.00 0.32 -0.03 0.40 -1.08 0.00 0.00 178.15 177.76 2uuu h ILE 535 N 0.00 1.24 -0.56 2.19 2.04 -1.26 -3.27 117.51 117.89 2uuu h ILE 535 Ca -0.00 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 64.90 2uuu h ILE 535 Cb 0.68 1.93 -0.08 0.00 -0.74 0.00 0.00 36.82 38.61 2uuu h ILE 535 CO 0.04 0.26 0.08 0.15 0.00 0.00 0.00 178.15 178.69 2uuu h PHE 536 N -0.55 0.12 0.00 1.37 3.04 -1.35 -1.08 116.94 118.49 2uuu h PHE 536 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2uuu h PHE 536 Cb 0.49 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.03 2uuu h PHE 536 CO 0.08 -0.06 0.00 1.17 -2.02 0.00 0.00 178.31 177.49 2uuu n LYS 537 N -5.16 0.00 -0.12 1.11 4.81 -0.74 -0.82 118.16 117.23 2uuu n LYS 537 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2uuu n LYS 537 Cb 0.30 -1.47 0.01 0.00 0.02 0.00 0.00 35.03 33.89 2uuu n LYS 537 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2uuu n TYR 538 N -0.80 0.00 -3.01 5.64 4.02 -0.42 -5.05 117.16 117.54 2uuu n TYR 538 Ca 0.00 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.90 57.67 2uuu n TYR 538 Cb 0.00 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.35 2uuu n TYR 538 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uuu n GLY 539 N -0.12 0.01 3.91 2.72 0.00 -0.00 -4.82 105.19 106.89 2uuu n GLY 539 Ca 0.01 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2uuu n GLY 539 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uuu s GLY 540 N -3.50 2.06 0.97 -0.02 0.00 -1.20 -4.76 107.32 100.87 2uuu s GLY 540 Ca 0.18 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 2uuu s GLY 540 CO 0.44 -0.63 1.09 -1.14 0.00 0.00 0.00 173.10 172.86 2uuu n SER 541 N -0.19 -0.15 0.00 1.64 3.41 -1.13 -4.74 113.62 112.46 2uuu n SER 541 Ca -0.03 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2uuu n SER 541 Cb 0.52 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2uuu n SER 541 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2uuu n LEU 542 N -4.28 0.00 0.00 1.04 4.77 -1.26 -4.45 117.00 112.82 2uuu n LEU 542 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2uuu n LEU 542 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2uuu n LEU 542 CO 0.51 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2uuu n GLY 563 N 2.32 0.00 0.25 -0.72 0.00 -1.26 -5.05 105.19 100.73 2uuu n GLY 563 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2uuu n GLY 563 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2uuu h TRP 564 N 0.00 0.00 -0.76 1.61 4.06 -2.06 -3.09 115.95 115.71 2uuu h TRP 564 Ca 0.00 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.99 2uuu h TRP 564 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 2uuu h TRP 564 CO 0.00 0.00 0.48 0.82 -3.56 0.00 0.00 178.44 176.18 2uuu h ILE 565 N 0.00 1.09 -0.14 1.49 2.04 -2.05 0.11 117.51 120.06 2uuu h ILE 565 Ca 0.00 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 2uuu h ILE 565 Cb 0.61 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2uuu h ILE 565 CO 0.00 0.17 -0.32 0.78 0.00 0.00 0.00 178.15 178.78 2uuu h ASN 566 N 0.92 0.27 -0.05 1.72 2.35 -1.97 0.15 115.58 118.98 2uuu h ASN 566 Ca 0.31 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2uuu h ASN 566 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2uuu h ASN 566 CO -0.12 0.58 -0.01 0.58 -1.65 0.00 0.00 177.43 176.81 2uuu h VAL 567 N 0.23 1.29 -0.47 2.81 2.07 -1.48 -2.01 116.25 118.70 2uuu h VAL 567 Ca 0.03 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2uuu h VAL 567 Cb 0.68 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2uuu h VAL 567 CO 0.05 0.24 0.27 0.22 0.02 0.00 0.00 177.57 178.38 2uuu h TYR 568 N -0.26 0.51 -0.87 1.57 5.03 -0.61 -2.30 116.97 120.04 2uuu h TYR 568 Ca 0.01 0.02 0.14 0.00 2.58 0.00 0.00 58.73 61.47 2uuu h TYR 568 Cb 0.39 -0.16 -0.09 0.00 1.55 0.00 0.00 36.73 38.42 2uuu h TYR 568 CO 0.05 0.29 0.47 -0.09 -1.32 0.00 0.00 178.16 177.57 2uuu h ARG 569 N 0.55 0.68 -0.10 1.82 2.43 -0.71 -0.48 114.38 118.57 2uuu h ARG 569 Ca 0.19 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2uuu h ARG 569 Cb 0.02 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2uuu h ARG 569 CO -0.09 0.45 0.06 1.03 -1.51 0.00 0.00 179.97 179.91 2uuu h SER 570 N 0.70 0.12 0.08 -3.80 0.87 -0.93 -0.52 113.55 110.06 2uuu h SER 570 Ca 0.46 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2uuu h SER 570 Cb 0.60 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2uuu h SER 570 CO -0.33 0.15 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.98 2uuu h LEU 571 N 0.09 -0.16 -0.50 2.23 3.38 -1.01 -2.48 115.31 116.86 2uuu h LEU 571 Ca 0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2uuu h LEU 571 Cb 0.05 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2uuu h LEU 571 CO -0.01 -0.10 0.21 0.50 0.09 0.00 0.00 178.44 179.13 2uuu h LYS 572 N -0.15 0.39 0.00 1.13 1.63 -0.95 -0.33 116.57 118.30 2uuu h LYS 572 Ca -0.00 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 2uuu h LYS 572 Cb 0.14 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2uuu h LYS 572 CO -0.01 0.26 -0.50 0.93 -3.45 0.00 0.00 179.45 176.68 2uuu h GLU 573 N 0.40 0.00 0.16 1.90 5.08 -1.06 0.11 114.58 121.17 2uuu h GLU 573 Ca 0.24 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 2uuu h GLU 573 Cb 0.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.49 2uuu h GLU 573 CO -0.22 0.50 -0.97 1.15 -1.00 0.00 0.00 179.01 178.48 2uuu h THR 574 N 0.00 1.44 0.15 1.13 2.02 -1.16 -3.19 112.91 113.30 2uuu h THR 574 Ca -0.01 -2.55 -0.29 0.00 0.77 0.00 0.00 66.41 64.33 2uuu h THR 574 Cb 0.93 3.14 0.02 0.00 -1.74 0.00 0.00 68.15 70.50 2uuu h THR 574 CO 0.07 0.73 -1.27 0.40 0.37 0.00 0.00 175.52 175.81 2uuu h ILE 575 N -0.29 1.41 -2.06 3.11 2.04 -1.04 -3.41 117.51 117.27 2uuu h ILE 575 Ca -0.17 -2.83 -0.56 0.00 1.00 0.00 0.00 64.86 62.30 2uuu h ILE 575 Cb 1.73 2.89 -0.40 0.00 -0.74 0.00 0.00 36.82 40.30 2uuu h ILE 575 CO 0.16 0.84 -0.99 -0.67 0.00 0.00 0.00 178.15 177.49 2uuu n ASP 576 N -3.64 1.32 -0.06 1.72 2.03 0.39 -3.29 116.55 115.03 2uuu n ASP 576 Ca -0.11 -2.97 0.06 0.00 0.52 0.00 0.00 54.79 52.29 2uuu n ASP 576 Cb 1.02 -0.64 0.42 0.00 -0.72 0.00 0.00 41.12 41.20 2uuu n ASP 576 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2uuu h PRO 577 N 3.80 0.57 -0.06 -0.67 0.11 -1.69 -1.86 132.00 132.21 2uuu h PRO 577 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2uuu h PRO 577 Cb 0.82 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2uuu h PRO 577 CO 0.57 0.38 0.00 1.63 -0.21 0.00 0.00 178.00 180.37 2uuu n LYS 578 N -4.47 1.43 -3.75 1.05 5.02 -1.26 -4.96 118.16 111.22 2uuu n LYS 578 Ca 0.06 -0.64 -0.24 0.00 -2.02 0.00 0.00 58.31 55.47 2uuu n LYS 578 Cb 0.15 -1.42 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 2uuu n LYS 578 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2uuu n ASP 579 N -0.18 -2.96 0.07 4.39 4.64 -0.70 -4.91 116.55 116.90 2uuu n ASP 579 Ca 0.18 -0.77 0.12 0.00 -1.38 0.00 0.00 54.79 52.94 2uuu n ASP 579 Cb 0.24 -4.15 0.06 0.00 -1.04 0.00 0.00 41.12 36.24 2uuu n ASP 579 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2uuu n ILE 580 N -4.48 0.43 -2.87 5.18 -5.35 -1.26 -4.46 119.36 106.55 2uuu n ILE 580 Ca -0.15 -0.39 -0.43 0.00 -0.27 0.00 0.00 62.75 61.51 2uuu n ILE 580 Cb 0.61 -0.15 -0.04 0.00 -1.74 0.00 0.00 39.64 38.32 2uuu n ILE 580 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2uuu n ASN 582 N 7.51 -3.76 -4.75 0.00 5.15 -0.50 -4.31 115.26 114.60 2uuu n ASN 582 Ca -0.02 -1.12 -0.38 0.00 -0.60 0.00 0.00 54.58 52.45 2uuu n ASN 582 Cb 0.46 -1.41 0.04 0.00 -0.53 0.00 0.00 39.78 38.34 2uuu n ASN 582 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2uuu s PRO 583 N -6.78 3.14 0.04 1.20 0.04 -1.26 -4.69 135.00 126.68 2uuu s PRO 583 Ca 0.36 2.24 -0.10 0.00 0.04 0.00 0.00 61.00 63.55 2uuu s PRO 583 Cb -0.20 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2uuu s PRO 583 CO 0.86 -1.19 0.20 1.03 0.04 0.00 0.00 177.00 177.94 2uuu s ARG 584 N -2.90 0.69 0.00 4.56 3.00 -1.26 -4.68 118.95 118.36 2uuu s ARG 584 Ca 0.71 -0.61 0.23 0.00 0.00 0.00 0.00 55.73 56.06 2uuu s ARG 584 Cb -0.41 0.29 0.18 0.00 0.00 0.00 0.00 34.95 35.01 2uuu s ARG 584 CO 0.48 -0.20 1.22 1.63 0.00 0.00 0.00 175.30 178.44