#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khg s ILE 2 N 0.00 0.81 -0.15 -0.61 1.01 -1.26 -4.57 121.20 116.43 3khg s ILE 2 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3khg s ILE 2 Cb 0.00 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3khg s ILE 2 CO 0.00 0.28 -0.21 -0.69 0.00 0.00 0.00 174.94 174.32 3khg s VAL 3 N 0.72 2.03 -0.18 2.92 1.01 0.02 -1.38 120.40 125.54 3khg s VAL 3 Ca -0.12 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3khg s VAL 3 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3khg s VAL 3 CO 0.02 0.54 -0.01 -0.22 0.00 0.00 0.00 175.10 175.43 3khg s LEU 4 N 1.01 3.30 -0.14 3.92 0.20 -0.04 -2.09 118.68 124.84 3khg s LEU 4 Ca -0.02 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.66 3khg s LEU 4 Cb -0.15 -1.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 3khg s LEU 4 CO -0.06 0.12 -0.16 0.12 -0.29 0.00 0.00 176.35 176.08 3khg s PHE 5 N 0.66 2.76 -0.04 5.38 5.36 0.46 -0.56 117.98 132.00 3khg s PHE 5 Ca -0.01 -0.90 0.05 0.00 -0.96 0.00 0.00 56.93 55.11 3khg s PHE 5 Cb -0.14 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 3khg s PHE 5 CO 0.02 -0.37 -0.18 0.08 -1.46 0.00 0.00 175.22 173.31 3khg s VAL 6 N 0.58 2.75 -0.16 3.12 1.01 -0.58 -1.30 120.40 125.83 3khg s VAL 6 Ca -0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3khg s VAL 6 Cb -0.16 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.25 3khg s VAL 6 CO 0.03 0.59 0.31 -0.62 0.00 0.00 0.00 175.10 175.41 3khg s ASP 7 N -0.66 0.22 0.33 3.32 -1.08 -0.90 -1.24 116.67 116.65 3khg s ASP 7 Ca 0.10 0.65 -0.27 0.00 -0.52 0.00 0.00 52.55 52.51 3khg s ASP 7 Cb -0.11 0.91 -0.09 0.00 -1.46 0.00 0.00 42.92 42.17 3khg s ASP 7 CO 0.00 -0.25 1.09 -0.36 0.52 0.00 0.00 175.17 176.18 3khg s PHE 8 N 2.48 3.44 0.01 -5.34 0.08 -0.53 -1.06 117.98 117.06 3khg s PHE 8 Ca 0.01 1.67 -0.30 0.00 0.12 0.00 0.00 56.93 58.43 3khg s PHE 8 Cb -0.12 -3.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 3khg s PHE 8 CO -0.10 -0.64 1.16 -0.51 -0.10 0.00 0.00 175.22 175.02 3khg s ASP 9 N -1.12 7.12 -0.46 1.36 1.01 -0.69 -4.11 116.67 119.78 3khg s ASP 9 Ca 0.50 1.88 -0.11 0.00 0.71 0.00 0.00 52.55 55.53 3khg s ASP 9 Cb -0.29 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.09 3khg s ASP 9 CO 0.37 -0.47 0.21 0.00 0.21 0.00 0.00 175.17 175.48 3khg n TYR 10 N 4.35 -0.48 -0.00 4.23 0.18 -1.26 -4.50 117.16 119.67 3khg n TYR 10 Ca 0.09 0.05 -0.11 0.00 1.88 0.00 0.00 57.90 59.81 3khg n TYR 10 Cb 0.47 -1.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.39 3khg n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3khg h PHE 11 N 0.86 -0.93 -0.63 -3.48 3.57 -1.96 0.63 116.94 115.01 3khg h PHE 11 Ca -0.26 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.23 3khg h PHE 11 Cb 0.51 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 3khg h PHE 11 CO 0.14 -0.41 0.18 1.88 -2.23 0.00 0.00 178.31 177.87 3khg h TYR 12 N -0.40 1.03 -0.45 0.41 0.05 -1.96 0.12 116.97 115.76 3khg h TYR 12 Ca 0.10 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 3khg h TYR 12 Cb 0.56 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3khg h TYR 12 CO -0.42 0.85 -0.00 0.00 -1.05 0.00 0.00 178.16 177.54 3khg h ALA 13 N 1.06 1.15 -0.53 3.88 0.00 -1.57 -2.42 119.26 120.84 3khg h ALA 13 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3khg h ALA 13 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3khg h ALA 13 CO -0.00 0.55 -0.07 0.37 0.00 0.00 0.00 179.25 180.10 3khg h GLN 14 N 0.70 0.97 -0.24 0.00 4.15 0.52 -1.34 115.11 119.86 3khg h GLN 14 Ca 0.14 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 3khg h GLN 14 Cb 0.43 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3khg h GLN 14 CO 0.02 1.01 0.05 0.28 -1.93 0.00 0.00 178.83 178.26 3khg h VAL 15 N 0.84 1.13 -0.44 2.39 2.07 -0.59 -0.40 116.25 121.25 3khg h VAL 15 Ca 0.14 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 3khg h VAL 15 Cb 0.62 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3khg h VAL 15 CO 0.04 0.16 -0.25 -0.33 0.02 0.00 0.00 177.57 177.21 3khg h GLU 16 N 0.34 0.95 -0.43 1.57 4.39 -0.90 -0.62 114.58 119.88 3khg h GLU 16 Ca 0.08 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 3khg h GLU 16 Cb 0.16 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3khg h GLU 16 CO -0.00 1.10 0.02 0.93 -1.16 0.00 0.00 179.01 179.90 3khg h GLU 17 N 0.79 0.69 -0.06 2.33 5.08 -0.42 0.23 114.58 123.23 3khg h GLU 17 Ca 0.09 -0.16 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 3khg h GLU 17 Cb 0.83 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3khg h GLU 17 CO 0.07 0.69 -0.77 0.28 -1.00 0.00 0.00 179.01 178.29 3khg h VAL 18 N 0.66 1.39 0.00 3.13 2.07 -0.98 -1.40 116.25 121.12 3khg h VAL 18 Ca 0.14 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.43 3khg h VAL 18 Cb 0.38 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3khg h VAL 18 CO 0.01 0.66 0.00 0.18 0.02 0.00 0.00 177.57 178.45 3khg n LEU 19 N -3.81 0.00 -2.75 2.57 4.32 -0.25 -4.40 117.00 112.68 3khg n LEU 19 Ca -0.04 0.18 -0.05 0.00 -0.02 0.00 0.00 56.01 56.08 3khg n LEU 19 Cb 0.73 -0.18 0.03 0.00 -1.62 0.00 0.00 43.42 42.37 3khg n LEU 19 CO 0.48 -0.04 0.20 -3.20 -1.22 0.00 0.00 177.39 173.61 3khg n ASN 20 N -1.18 -3.04 0.15 -1.43 2.85 0.78 -5.02 115.26 108.37 3khg n ASN 20 Ca 0.14 -2.79 0.06 0.00 -0.11 0.00 0.00 54.58 51.88 3khg n ASN 20 Cb 0.15 1.64 0.33 0.00 1.24 0.00 0.00 39.78 43.15 3khg n ASN 20 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3khg n PRO 21 N 2.50 0.08 0.12 1.20 -0.02 -0.59 -1.18 135.00 137.11 3khg n PRO 21 Ca 0.14 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 3khg n PRO 21 Cb 0.59 -2.06 0.23 0.00 -0.02 0.00 0.00 33.50 32.25 3khg n PRO 21 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3khg h SER 22 N 0.00 0.16 0.43 2.55 4.64 -1.95 -3.11 113.55 116.26 3khg h SER 22 Ca 0.00 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3khg h SER 22 Cb 0.57 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3khg h SER 22 CO 0.00 0.60 -0.36 -0.07 -0.87 0.00 0.00 176.83 176.13 3khg h LEU 23 N 0.12 0.00 -9.42 5.97 4.07 -1.47 -3.45 115.31 111.13 3khg h LEU 23 Ca 0.01 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.35 3khg h LEU 23 Cb 0.87 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.67 3khg h LEU 23 CO 0.07 0.36 0.63 1.17 -1.08 0.00 0.00 178.44 179.58 3khg n LYS 24 N -3.98 1.72 0.00 1.13 4.81 -1.18 -2.08 118.16 118.59 3khg n LYS 24 Ca -0.02 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3khg n LYS 24 Cb 0.41 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.15 3khg n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khg n GLY 25 N 2.89 0.20 3.08 3.14 0.00 -1.26 -5.05 105.19 108.19 3khg n GLY 25 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3khg n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khg s LYS 26 N -0.87 0.58 0.20 1.61 1.02 -0.88 -5.01 119.74 116.39 3khg s LYS 26 Ca 0.00 -0.84 -0.32 0.00 0.02 0.00 0.00 55.97 54.82 3khg s LYS 26 Cb 0.00 -0.30 -0.13 0.00 -0.52 0.00 0.00 37.83 36.89 3khg s LYS 26 CO 0.00 0.04 1.63 -2.30 -0.92 0.00 0.00 175.35 173.80 3khg n PRO 27 N 1.25 2.48 -4.40 -1.68 -0.02 -1.26 -4.84 135.00 126.53 3khg n PRO 27 Ca -0.21 0.89 -0.22 0.00 -2.02 0.00 0.00 63.50 61.94 3khg n PRO 27 Cb 0.55 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 3khg n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3khg s VAL 28 N 0.84 0.84 -0.16 -1.45 1.01 -1.26 -2.43 120.40 117.78 3khg s VAL 28 Ca 0.75 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 3khg s VAL 28 Cb -0.58 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.06 3khg s VAL 28 CO 0.38 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.99 3khg s VAL 29 N 0.57 1.23 -0.33 2.92 1.01 -0.35 -1.13 120.40 124.32 3khg s VAL 29 Ca -0.10 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 3khg s VAL 29 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3khg s VAL 29 CO 0.02 0.21 0.37 -0.69 0.00 0.00 0.00 175.10 175.00 3khg s VAL 30 N 1.59 5.17 0.07 2.92 1.01 0.20 -1.64 120.40 129.72 3khg s VAL 30 Ca 0.02 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3khg s VAL 30 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3khg s VAL 30 CO -0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 175.10 174.87 3khg s VAL 32 N -1.48 4.99 0.32 0.00 1.01 -0.53 -2.14 120.40 122.57 3khg s VAL 32 Ca -0.03 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.55 3khg s VAL 32 Cb -0.09 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 3khg s VAL 32 CO 0.01 -0.09 0.74 -0.36 0.00 0.00 0.00 175.10 175.40 3khg s PHE 33 N 2.48 3.38 -0.02 5.22 0.08 -1.26 -2.40 117.98 125.46 3khg s PHE 33 Ca 0.23 1.24 0.03 0.00 0.12 0.00 0.00 56.93 58.54 3khg s PHE 33 Cb -0.15 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 3khg s PHE 33 CO 0.11 0.09 0.04 -1.13 -0.10 0.00 0.00 175.22 174.23 3khg n SER 34 N -0.34 4.33 0.00 1.36 3.41 -0.51 -4.93 113.62 116.93 3khg n SER 34 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3khg n SER 34 Cb 0.53 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 3khg n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khg n GLY 35 N 2.59 0.86 0.09 5.00 0.00 -1.26 -4.69 105.19 107.78 3khg n GLY 35 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 3khg n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3khg h ARG 36 N 3.47 0.08 -2.53 1.61 3.08 -1.87 -3.46 114.38 114.75 3khg h ARG 36 Ca 0.00 -0.14 0.14 0.00 0.07 0.00 0.00 59.98 60.05 3khg h ARG 36 Cb 0.00 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 3khg h ARG 36 CO 0.00 0.77 0.41 -0.59 -1.07 0.00 0.00 179.97 179.49 3khg s PHE 37 N -2.61 -0.18 -0.28 3.04 -0.12 -1.26 -5.02 117.98 111.54 3khg s PHE 37 Ca -0.07 -0.14 -0.22 0.00 -0.05 0.00 0.00 56.93 56.45 3khg s PHE 37 Cb 0.08 0.64 -0.10 0.00 -0.63 0.00 0.00 43.02 43.01 3khg s PHE 37 CO 0.82 -0.90 1.12 -1.91 -0.05 0.00 0.00 175.22 174.30 3khg n GLU 38 N -0.44 0.00 -3.00 1.99 2.13 -1.26 -0.11 120.64 119.95 3khg n GLU 38 Ca -0.06 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.54 3khg n GLU 38 Cb 0.61 -0.77 0.02 0.00 0.27 0.00 0.00 31.44 31.57 3khg n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3khg n ASP 39 N 4.00 -5.63 -4.77 4.31 8.00 -1.26 -4.94 116.55 116.27 3khg n ASP 39 Ca 0.29 -0.26 -0.38 0.00 0.71 0.00 0.00 54.79 55.14 3khg n ASP 39 Cb -0.02 -4.58 -0.05 0.00 -0.02 0.00 0.00 41.12 36.46 3khg n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3khg s SER 40 N -2.62 7.11 0.00 -2.24 1.04 0.84 -3.62 113.70 114.21 3khg s SER 40 Ca 0.28 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.82 3khg s SER 40 Cb -0.13 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3khg s SER 40 CO 0.35 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3khg n GLY 41 N 0.83 0.84 3.22 7.32 0.00 -1.26 -1.43 105.19 114.72 3khg n GLY 41 Ca 0.01 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 3khg n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khg s ALA 42 N -1.28 -0.73 -0.05 4.61 0.00 -1.01 -2.48 121.76 120.81 3khg s ALA 42 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 3khg s ALA 42 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3khg s ALA 42 CO 0.00 -0.24 1.39 0.08 0.00 0.00 0.00 175.76 176.99 3khg s VAL 43 N -1.15 3.86 -0.02 0.00 1.01 -0.62 -1.45 120.40 122.04 3khg s VAL 43 Ca -0.12 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 3khg s VAL 43 Cb -0.05 -3.76 -0.30 0.00 0.00 0.00 0.00 36.38 32.27 3khg s VAL 43 CO 0.03 -0.04 0.79 0.00 0.00 0.00 0.00 175.10 175.89 3khg h ALA 44 N 8.13 0.18 -1.78 5.51 0.00 -0.50 0.80 119.26 131.59 3khg h ALA 44 Ca -0.35 -1.10 0.01 0.00 0.00 0.00 0.00 54.91 53.47 3khg h ALA 44 Cb 1.16 0.34 -0.21 0.00 0.00 0.00 0.00 17.79 19.08 3khg h ALA 44 CO 0.92 1.04 0.36 -0.08 0.00 0.00 0.00 179.25 181.49 3khg s THR 45 N -2.60 0.00 0.07 0.00 -1.32 -0.86 -4.61 115.64 106.32 3khg s THR 45 Ca -0.12 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.43 3khg s THR 45 Cb 0.06 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3khg s THR 45 CO 0.86 0.00 -0.17 0.00 -2.21 0.00 0.00 174.62 173.10 3khg s ALA 46 N -0.92 1.47 1.06 11.08 0.00 -1.26 -0.63 121.76 132.56 3khg s ALA 46 Ca -0.05 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 3khg s ALA 46 Cb -0.01 -0.20 0.22 0.00 0.00 0.00 0.00 23.12 23.14 3khg s ALA 46 CO 0.05 0.27 1.15 0.54 0.00 0.00 0.00 175.76 177.77 3khg s ASN 47 N -1.62 2.14 0.23 0.00 2.20 -0.28 -4.76 114.94 112.84 3khg s ASN 47 Ca 0.03 0.73 -0.01 0.00 -0.94 0.00 0.00 52.86 52.67 3khg s ASN 47 Cb -0.09 -1.08 0.23 0.00 -2.00 0.00 0.00 41.25 38.31 3khg s ASN 47 CO 0.03 -3.38 1.59 1.88 -2.94 0.00 0.00 177.10 174.28 3khg h TYR 48 N -2.07 0.62 0.03 1.54 -1.99 -1.96 -2.01 116.97 111.12 3khg h TYR 48 Ca -0.48 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.10 3khg h TYR 48 Cb 1.30 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 39.85 3khg h TYR 48 CO -1.02 0.86 -0.32 0.93 -0.00 0.00 0.00 178.16 178.60 3khg h GLU 49 N 0.42 -0.48 -0.47 4.88 3.07 -1.92 -1.99 114.58 118.09 3khg h GLU 49 Ca 0.03 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.02 3khg h GLU 49 Cb 0.92 0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.85 3khg h GLU 49 CO 0.08 -0.32 -0.09 0.00 -1.40 0.00 0.00 179.01 177.28 3khg h ALA 50 N 0.21 0.35 -0.33 3.43 0.00 -1.82 -2.92 119.26 118.17 3khg h ALA 50 Ca 0.05 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3khg h ALA 50 Cb 0.57 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3khg h ALA 50 CO -0.25 -0.43 0.23 0.00 0.00 0.00 0.00 179.25 178.79 3khg h ARG 51 N 0.03 0.17 -0.29 0.00 3.08 -0.63 0.57 114.38 117.30 3khg h ARG 51 Ca 0.23 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.35 3khg h ARG 51 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3khg h ARG 51 CO -0.46 0.11 0.26 0.87 -1.07 0.00 0.00 179.97 179.68 3khg h LYS 52 N 0.17 0.00 -0.19 0.04 1.57 -1.25 -1.07 116.57 115.84 3khg h LYS 52 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3khg h LYS 52 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3khg h LYS 52 CO -0.02 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.05 3khg n PHE 53 N -4.01 0.22 0.00 -1.35 3.72 0.19 -4.95 117.46 111.28 3khg n PHE 53 Ca 0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3khg n PHE 53 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3khg n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khg n GLY 54 N 1.43 0.55 3.62 1.37 0.00 -0.40 -4.98 105.19 106.78 3khg n GLY 54 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3khg n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khg s VAL 55 N -2.00 4.36 0.27 1.61 1.01 -1.24 -4.97 120.40 119.45 3khg s VAL 55 Ca 0.00 1.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 3khg s VAL 55 Cb 0.00 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.95 3khg s VAL 55 CO 0.00 -0.65 0.39 2.29 0.00 0.00 0.00 175.10 177.13 3khg n LYS 56 N 7.25 0.56 -1.85 2.72 2.85 -1.26 -3.58 118.16 124.86 3khg n LYS 56 Ca 0.12 -2.14 -0.41 0.00 -1.05 0.00 0.00 58.31 54.83 3khg n LYS 56 Cb 0.48 2.09 -0.01 0.00 -0.65 0.00 0.00 35.03 36.93 3khg n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3khg s ALA 57 N -2.47 3.67 0.00 0.58 0.00 -1.26 -3.22 121.76 119.06 3khg s ALA 57 Ca 0.22 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3khg s ALA 57 Cb -0.01 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3khg s ALA 57 CO 0.16 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3khg n GLY 58 N 1.70 3.28 3.79 0.00 0.00 0.27 -5.00 105.19 109.23 3khg n GLY 58 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3khg n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khg s ILE 59 N -2.72 3.85 0.38 -0.61 -4.36 -1.20 -4.74 121.20 111.80 3khg s ILE 59 Ca 0.00 1.38 -0.27 0.00 -0.26 0.00 0.00 60.65 61.49 3khg s ILE 59 Cb 0.00 -3.69 -0.11 0.00 1.25 0.00 0.00 42.46 39.91 3khg s ILE 59 CO 0.00 -0.03 1.34 -2.65 0.24 0.00 0.00 174.94 173.84 3khg n PRO 60 N -0.14 2.21 -0.19 0.37 -0.02 -1.26 -1.59 135.00 134.39 3khg n PRO 60 Ca 0.05 0.78 -0.04 0.00 -2.02 0.00 0.00 63.50 62.28 3khg n PRO 60 Cb 0.50 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3khg n PRO 60 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3khg h ILE 61 N 2.50 0.96 0.00 4.25 2.04 -1.71 -1.12 117.51 124.43 3khg h ILE 61 Ca -0.48 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3khg h ILE 61 Cb 1.28 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3khg h ILE 61 CO 0.62 0.10 -0.05 -0.37 0.00 0.00 0.00 178.15 178.45 3khg h VAL 62 N 0.56 0.59 0.24 1.67 -1.51 -1.84 -0.11 116.25 115.84 3khg h VAL 62 Ca 0.25 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.49 3khg h VAL 62 Cb 0.14 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 3khg h VAL 62 CO -0.16 0.05 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.03 3khg h GLU 63 N 0.00 -0.31 -0.87 5.19 4.81 -1.60 -2.72 114.58 119.08 3khg h GLU 63 Ca -0.00 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.49 3khg h GLU 63 Cb 0.13 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 29.42 3khg h GLU 63 CO 0.01 -0.21 0.02 0.00 -0.73 0.00 0.00 179.01 178.10 3khg n ALA 64 N -2.54 0.45 0.19 2.92 0.00 -0.76 0.13 120.51 120.90 3khg n ALA 64 Ca -0.04 0.93 0.03 0.00 0.00 0.00 0.00 53.44 54.36 3khg n ALA 64 Cb 0.13 -0.68 0.42 0.00 0.00 0.00 0.00 19.45 19.31 3khg n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3khg h LYS 65 N 0.00 0.02 0.15 0.00 1.57 -1.08 0.51 116.57 117.74 3khg h LYS 65 Ca 0.53 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3khg h LYS 65 Cb 1.09 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3khg h LYS 65 CO -0.81 0.30 -0.18 0.87 -0.57 0.00 0.00 179.45 179.06 3khg h LYS 66 N 0.02 -0.32 0.45 3.15 6.56 0.14 -2.74 116.57 123.83 3khg h LYS 66 Ca 0.00 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3khg h LYS 66 Cb 0.50 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 3khg h LYS 66 CO 0.04 -0.22 -0.47 0.82 -2.06 0.00 0.00 179.45 177.56 3khg h ILE 67 N -0.34 0.00 -3.19 1.86 2.04 -1.03 -3.37 117.51 113.48 3khg h ILE 67 Ca -0.02 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.21 3khg h ILE 67 Cb 0.30 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 35.97 3khg h ILE 67 CO -0.04 0.00 -0.61 -0.76 0.00 0.00 0.00 178.15 176.74 3khg s LEU 68 N -9.62 4.47 0.12 1.44 1.43 0.18 -4.93 118.68 111.77 3khg s LEU 68 Ca -0.16 -3.45 -0.04 0.00 -1.03 0.00 0.00 54.13 49.44 3khg s LEU 68 Cb 0.04 -1.59 -0.11 0.00 0.03 0.00 0.00 46.19 44.55 3khg s LEU 68 CO 0.55 -0.15 1.29 1.55 0.23 0.00 0.00 176.35 179.82 3khg h PRO 69 N 5.90 0.39 0.00 1.29 0.13 -1.66 -3.30 132.00 134.75 3khg h PRO 69 Ca 0.05 -0.44 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3khg h PRO 69 Cb 0.82 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 3khg h PRO 69 CO 0.69 1.11 -0.04 -0.91 -0.23 0.00 0.00 178.00 178.63 3khg h ASN 70 N 0.21 0.00 -2.81 1.44 2.35 -1.92 -3.46 115.58 111.39 3khg h ASN 70 Ca -0.08 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.24 3khg h ASN 70 Cb 1.62 0.00 0.22 0.00 0.05 0.00 0.00 38.32 40.21 3khg h ASN 70 CO 0.17 0.04 -0.38 0.00 -1.65 0.00 0.00 177.43 175.61 3khg n ALA 71 N -2.11 -3.55 -2.68 -0.83 0.00 -1.24 -4.97 120.51 105.13 3khg n ALA 71 Ca 0.01 -1.31 -0.38 0.00 0.00 0.00 0.00 53.44 51.75 3khg n ALA 71 Cb 0.34 -1.78 -0.11 0.00 0.00 0.00 0.00 19.45 17.90 3khg n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3khg s VAL 72 N -2.31 5.09 -0.17 0.00 1.01 -1.02 -5.03 120.40 117.96 3khg s VAL 72 Ca 0.64 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 3khg s VAL 72 Cb -0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3khg s VAL 72 CO 0.65 0.20 0.05 -0.31 0.00 0.00 0.00 175.10 175.69 3khg s TYR 73 N 1.72 3.24 -0.02 5.22 2.02 -1.26 -1.21 117.35 127.06 3khg s TYR 73 Ca 0.07 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 3khg s TYR 73 Cb -0.16 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 3khg s TYR 73 CO 0.09 0.17 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.69 3khg s LEU 74 N 0.28 1.68 0.29 -1.29 1.43 -0.65 -5.00 118.68 115.42 3khg s LEU 74 Ca 0.03 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 3khg s LEU 74 Cb -0.12 -0.30 -0.10 0.00 0.03 0.00 0.00 46.19 45.70 3khg s LEU 74 CO 0.00 0.00 1.15 -2.16 0.23 0.00 0.00 176.35 175.58 3khg s PRO 75 N 0.35 4.57 0.38 1.29 0.04 -1.26 -1.27 135.00 139.11 3khg s PRO 75 Ca -0.04 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 3khg s PRO 75 Cb -0.07 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 3khg s PRO 75 CO -0.00 0.12 1.45 -0.12 0.04 0.00 0.00 177.00 178.48 3khg n MET 76 N 1.11 2.53 -3.57 4.56 1.56 -0.91 -4.81 117.12 117.58 3khg n MET 76 Ca -0.01 0.89 -0.27 0.00 -0.27 0.00 0.00 57.70 58.04 3khg n MET 76 Cb 0.44 -2.60 -0.10 0.00 2.15 0.00 0.00 33.22 33.11 3khg n MET 76 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3khg n ARG 77 N 0.38 1.60 -0.24 2.12 1.74 -1.26 -4.99 116.66 116.01 3khg n ARG 77 Ca 0.02 -4.14 0.23 0.00 -0.77 0.00 0.00 57.85 53.20 3khg n ARG 77 Cb 0.39 -2.03 0.59 0.00 -1.02 0.00 0.00 32.46 30.39 3khg n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3khg h LYS 78 N 4.89 0.25 -0.30 5.56 3.64 -2.00 0.17 116.57 128.76 3khg h LYS 78 Ca 0.18 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3khg h LYS 78 Cb 0.77 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3khg h LYS 78 CO 0.66 0.16 -0.14 0.93 -2.27 0.00 0.00 179.45 178.79 3khg h GLU 79 N 0.25 0.62 -0.88 1.90 3.07 -1.99 -1.31 114.58 116.25 3khg h GLU 79 Ca 0.48 -0.27 0.06 0.00 -0.50 0.00 0.00 59.36 59.13 3khg h GLU 79 Cb 1.45 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.28 3khg h GLU 79 CO -0.13 0.85 0.55 0.28 -1.40 0.00 0.00 179.01 179.16 3khg h VAL 80 N 0.38 1.06 -0.11 3.13 2.07 -1.39 -2.67 116.25 118.71 3khg h VAL 80 Ca 0.07 -0.35 -0.22 0.00 0.82 0.00 0.00 66.70 67.02 3khg h VAL 80 Cb 0.66 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3khg h VAL 80 CO 0.04 0.18 -0.82 1.88 0.02 0.00 0.00 177.57 178.88 3khg h TYR 81 N 1.01 0.94 0.00 1.57 0.05 -1.45 -2.96 116.97 116.13 3khg h TYR 81 Ca 0.38 -0.43 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 3khg h TYR 81 Cb 0.15 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3khg h TYR 81 CO -0.03 1.25 -0.14 0.37 -1.05 0.00 0.00 178.16 178.57 3khg h GLN 82 N 0.45 0.00 -0.00 4.88 5.75 -1.02 0.52 115.11 125.68 3khg h GLN 82 Ca -0.06 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3khg h GLN 82 Cb 1.44 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.99 3khg h GLN 82 CO 0.16 0.14 -0.00 1.96 -2.65 0.00 0.00 178.83 178.44 3khg h GLN 83 N 0.00 0.00 0.18 1.69 4.20 -1.34 -0.67 115.11 119.17 3khg h GLN 83 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3khg h GLN 83 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3khg h GLN 83 CO 0.02 0.50 -0.15 0.28 -0.67 0.00 0.00 178.83 178.81 3khg h VAL 84 N -0.50 0.68 -0.96 -0.54 2.07 -1.31 -1.59 116.25 114.10 3khg h VAL 84 Ca 0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.71 3khg h VAL 84 Cb 0.50 0.68 -0.18 0.00 -1.52 0.00 0.00 31.29 30.77 3khg h VAL 84 CO 0.00 0.00 -0.25 -0.24 0.02 0.00 0.00 177.57 177.10 3khg n SER 85 N -5.27 -0.37 -0.02 0.57 2.88 0.18 -1.30 113.62 110.29 3khg n SER 85 Ca -0.08 1.65 -0.09 0.00 -1.33 0.00 0.00 58.87 59.02 3khg n SER 85 Cb 0.19 -0.48 0.07 0.00 -0.75 0.00 0.00 64.21 63.23 3khg n SER 85 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3khg h SER 86 N 0.00 0.66 -0.18 -3.46 0.02 -0.18 0.49 113.55 110.90 3khg h SER 86 Ca 0.45 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3khg h SER 86 Cb 0.68 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3khg h SER 86 CO -0.98 1.03 0.10 0.03 -1.14 0.00 0.00 176.83 175.87 3khg h ARG 87 N 0.49 0.25 0.02 3.45 3.08 -0.43 -1.05 114.38 120.18 3khg h ARG 87 Ca 0.03 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3khg h ARG 87 Cb 1.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3khg h ARG 87 CO 0.09 0.23 -0.04 0.82 -1.07 0.00 0.00 179.97 180.00 3khg h ILE 88 N 0.19 0.90 -0.35 2.04 2.04 -0.89 -0.64 117.51 120.80 3khg h ILE 88 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.03 3khg h ILE 88 Cb 0.05 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3khg h ILE 88 CO -0.01 0.00 0.35 0.24 0.00 0.00 0.00 178.15 178.73 3khg h MET 89 N -0.08 0.00 0.07 2.37 2.86 -0.68 0.40 114.93 119.87 3khg h MET 89 Ca 0.01 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.40 3khg h MET 89 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3khg h MET 89 CO -0.03 0.00 -1.09 -0.91 1.06 0.00 0.00 176.91 175.94 3khg h ASN 90 N 0.00 0.47 -0.86 1.22 2.35 0.20 -2.95 115.58 116.01 3khg h ASN 90 Ca 0.17 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3khg h ASN 90 Cb 0.87 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 3khg h ASN 90 CO -0.00 1.28 0.54 -0.07 -1.65 0.00 0.00 177.43 177.54 3khg h LEU 91 N 0.15 1.01 -0.79 1.61 3.38 0.07 -2.67 115.31 118.07 3khg h LEU 91 Ca -0.11 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3khg h LEU 91 Cb 1.77 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3khg h LEU 91 CO 0.18 0.76 -0.28 -0.07 0.09 0.00 0.00 178.44 179.12 3khg h LEU 92 N 1.18 0.60 -0.76 1.67 3.38 -1.41 -2.40 115.31 117.57 3khg h LEU 92 Ca 0.31 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3khg h LEU 92 Cb -0.09 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.40 3khg h LEU 92 CO -0.06 0.86 0.30 0.03 0.09 0.00 0.00 178.44 179.66 3khg h ARG 93 N 0.51 0.43 0.00 1.13 3.08 -1.30 -0.34 114.38 117.90 3khg h ARG 93 Ca 0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3khg h ARG 93 Cb 0.75 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3khg h ARG 93 CO 0.06 0.28 0.27 0.93 -1.07 0.00 0.00 179.97 180.45 3khg h GLU 94 N 0.44 0.00 0.00 0.04 4.39 -1.26 -2.49 114.58 115.70 3khg h GLU 94 Ca 0.42 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.95 3khg h GLU 94 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 3khg h GLU 94 CO -0.41 0.00 -1.91 0.66 -1.16 0.00 0.00 179.01 176.20 3khg n TYR 95 N -2.80 0.00 -3.60 4.33 4.01 -0.22 -5.01 117.16 113.87 3khg n TYR 95 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 3khg n TYR 95 Cb 0.32 -0.59 -0.07 0.00 -0.31 0.00 0.00 39.34 38.69 3khg n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3khg s SER 96 N -4.44 -0.69 -0.14 7.72 0.15 -0.68 -5.01 113.70 110.61 3khg s SER 96 Ca -0.07 1.14 -0.26 0.00 0.70 0.00 0.00 55.95 57.46 3khg s SER 96 Cb 0.07 1.10 -0.23 0.00 -1.71 0.00 0.00 66.02 65.24 3khg s SER 96 CO 0.63 -0.37 0.67 -0.33 1.20 0.00 0.00 173.24 175.04 3khg h GLU 97 N 4.34 0.00 -5.71 5.44 3.07 -1.87 -3.38 114.58 116.47 3khg h GLU 97 Ca -0.28 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.25 3khg h GLU 97 Cb 1.16 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 3khg h GLU 97 CO 0.18 0.92 0.92 0.15 -1.40 0.00 0.00 179.01 179.78 3khg s LYS 98 N -2.18 2.33 -0.06 2.33 1.02 -1.26 -4.93 119.74 116.98 3khg s LYS 98 Ca -0.18 0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.19 3khg s LYS 98 Cb -0.02 -4.74 0.01 0.00 -0.52 0.00 0.00 37.83 32.56 3khg s LYS 98 CO 0.63 -3.37 -0.11 -1.50 -0.92 0.00 0.00 175.35 170.07 3khg s ILE 99 N 10.97 1.05 -0.54 2.17 2.07 -1.26 -1.84 121.20 133.82 3khg s ILE 99 Ca 0.77 -0.43 -0.10 0.00 -1.41 0.00 0.00 60.65 59.48 3khg s ILE 99 Cb -0.11 -0.97 0.14 0.00 0.13 0.00 0.00 42.46 41.65 3khg s ILE 99 CO 0.11 0.34 0.43 -0.70 -1.91 0.00 0.00 174.94 173.21 3khg s GLU 100 N 0.68 2.70 -0.41 3.50 2.12 0.45 -4.59 118.70 123.14 3khg s GLU 100 Ca -0.14 -1.92 -0.29 0.00 0.36 0.00 0.00 54.97 52.98 3khg s GLU 100 Cb -0.15 -4.02 0.01 0.00 0.26 0.00 0.00 34.13 30.22 3khg s GLU 100 CO 0.03 -1.23 1.36 0.42 -0.54 0.00 0.00 175.26 175.30 3khg s ILE 101 N 1.10 3.98 -0.12 -3.70 1.01 -1.26 0.00 121.20 122.21 3khg s ILE 101 Ca 0.08 1.01 0.20 0.00 0.00 0.00 0.00 60.65 61.94 3khg s ILE 101 Cb -0.24 -4.26 -0.22 0.00 0.01 0.00 0.00 42.46 37.75 3khg s ILE 101 CO -0.01 -0.77 0.59 0.00 0.00 0.00 0.00 174.94 174.75 3khg n ALA 102 N 8.53 2.34 -3.89 9.38 0.00 0.76 -4.65 120.51 132.98 3khg n ALA 102 Ca 0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 3khg n ALA 102 Cb 0.48 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.19 3khg n ALA 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3khg s SER 103 N -5.12 0.01 0.43 0.00 1.04 -0.97 -4.94 113.70 104.16 3khg s SER 103 Ca -0.06 -0.71 0.26 0.00 0.48 0.00 0.00 55.95 55.92 3khg s SER 103 Cb 0.11 0.52 1.41 0.00 0.10 0.00 0.00 66.02 68.15 3khg s SER 103 CO 0.85 -1.03 1.77 -0.29 0.98 0.00 0.00 173.24 175.53 3khg h ILE 104 N 2.00 0.00 0.00 -1.02 2.10 -2.01 -3.18 117.51 115.40 3khg h ILE 104 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3khg h ILE 104 Cb 1.22 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.52 3khg h ILE 104 CO 0.37 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.54 3khg n ASP 105 N -2.46 0.16 -3.83 2.19 5.75 -1.26 -4.71 116.55 112.38 3khg n ASP 105 Ca -0.02 -1.04 -0.12 0.00 -0.01 0.00 0.00 54.79 53.60 3khg n ASP 105 Cb 0.14 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.09 3khg n ASP 105 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3khg s GLU 106 N -0.04 0.11 0.03 0.11 -1.05 -1.20 -1.45 118.70 115.19 3khg s GLU 106 Ca 0.00 0.15 0.01 0.00 -0.15 0.00 0.00 54.97 54.98 3khg s GLU 106 Cb 0.00 0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 3khg s GLU 106 CO 0.00 -0.03 -0.05 0.00 0.95 0.00 0.00 175.26 176.13 3khg s ALA 107 N 0.14 0.34 -0.22 -0.84 0.00 -0.38 -0.17 121.76 120.64 3khg s ALA 107 Ca -0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 3khg s ALA 107 Cb -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3khg s ALA 107 CO -0.00 -0.06 0.06 0.71 0.00 0.00 0.00 175.76 176.47 3khg s TYR 108 N -1.19 3.12 -0.04 0.00 2.02 0.10 -1.53 117.35 119.83 3khg s TYR 108 Ca -0.10 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 3khg s TYR 108 Cb -0.08 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 3khg s TYR 108 CO -0.00 -0.20 0.19 -0.51 -1.57 0.00 0.00 175.55 173.46 3khg s LEU 109 N 1.18 4.38 -0.28 -1.29 1.02 0.27 0.17 118.68 124.13 3khg s LEU 109 Ca 0.04 0.44 -0.12 0.00 0.02 0.00 0.00 54.13 54.51 3khg s LEU 109 Cb -0.14 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 3khg s LEU 109 CO 0.03 0.31 0.25 -0.62 0.02 0.00 0.00 176.35 176.34 3khg s ASP 110 N -1.59 6.09 -0.24 2.29 -1.08 -0.76 -0.86 116.67 120.52 3khg s ASP 110 Ca 0.23 0.06 0.11 0.00 -0.52 0.00 0.00 52.55 52.43 3khg s ASP 110 Cb -0.13 -2.15 0.45 0.00 -1.46 0.00 0.00 42.92 39.64 3khg s ASP 110 CO 0.13 -0.10 1.33 2.30 0.52 0.00 0.00 175.17 179.36 3khg n ILE 111 N 5.08 2.35 0.05 4.11 -5.35 -0.48 -4.72 119.36 120.40 3khg n ILE 111 Ca -0.12 -2.92 -0.11 0.00 -0.27 0.00 0.00 62.75 59.33 3khg n ILE 111 Cb 0.52 -0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.09 3khg n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khg h SER 112 N 0.97 -0.36 -0.54 7.28 0.02 -1.85 -2.50 113.55 116.57 3khg h SER 112 Ca 0.10 0.06 -0.33 0.00 -0.84 0.00 0.00 61.79 60.77 3khg h SER 112 Cb 1.31 0.15 -0.16 0.00 0.14 0.00 0.00 62.40 63.84 3khg h SER 112 CO 0.18 -0.18 0.43 0.47 -1.14 0.00 0.00 176.83 176.60 3khg n ASP 113 N -5.25 5.40 0.00 3.07 8.00 -1.26 -3.84 116.55 122.66 3khg n ASP 113 Ca -0.05 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.40 3khg n ASP 113 Cb 0.18 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3khg n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khg n LYS 114 N -0.03 0.09 -4.35 -1.24 4.76 -1.05 -5.09 118.16 111.25 3khg n LYS 114 Ca 0.33 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.56 3khg n LYS 114 Cb 0.80 -0.54 -0.11 0.00 -1.84 0.00 0.00 35.03 33.34 3khg n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khg s VAL 115 N -1.07 1.89 -0.17 -0.18 -7.23 -0.97 -5.03 120.40 107.64 3khg s VAL 115 Ca 0.00 -2.02 0.12 0.00 -1.81 0.00 0.00 61.98 58.27 3khg s VAL 115 Cb 0.00 -1.93 -0.23 0.00 0.56 0.00 0.00 36.38 34.77 3khg s VAL 115 CO 0.00 -0.36 0.16 -1.14 -0.31 0.00 0.00 175.10 173.45 3khg n ARG 116 N 0.10 0.68 -3.92 4.82 0.63 -1.26 -4.74 116.66 112.96 3khg n ARG 116 Ca -0.12 0.11 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 3khg n ARG 116 Cb 0.58 -1.59 -0.01 0.00 0.45 0.00 0.00 32.46 31.88 3khg n ARG 116 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3khg s ASP 117 N -5.93 0.20 0.62 6.15 3.84 -1.26 -5.05 116.67 115.25 3khg s ASP 117 Ca -0.15 -1.13 0.37 0.00 -0.00 0.00 0.00 52.55 51.64 3khg s ASP 117 Cb 0.07 0.75 2.09 0.00 -1.38 0.00 0.00 42.92 44.44 3khg s ASP 117 CO 0.78 -1.46 2.30 1.88 -0.00 0.00 0.00 175.17 178.67 3khg h TYR 118 N 2.07 0.00 0.12 2.11 0.05 -1.98 -1.12 116.97 118.22 3khg h TYR 118 Ca -0.28 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 3khg h TYR 118 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 3khg h TYR 118 CO 1.13 0.01 -0.06 -0.09 -1.05 0.00 0.00 178.16 178.10 3khg h ARG 119 N 0.00 -0.16 -0.61 4.88 2.43 -1.99 0.25 114.38 119.18 3khg h ARG 119 Ca -0.00 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3khg h ARG 119 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3khg h ARG 119 CO 0.00 0.20 0.10 0.93 -1.51 0.00 0.00 179.97 179.69 3khg h GLU 120 N -0.54 1.01 -0.19 0.20 5.08 -1.82 -1.65 114.58 116.67 3khg h GLU 120 Ca -0.02 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3khg h GLU 120 Cb 0.43 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3khg h GLU 120 CO 0.03 0.95 -0.33 0.00 -1.00 0.00 0.00 179.01 178.66 3khg h ALA 121 N 1.02 -0.35 -0.57 3.43 0.00 -1.15 -0.28 119.26 121.37 3khg h ALA 121 Ca 0.19 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.24 3khg h ALA 121 Cb 0.43 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3khg h ALA 121 CO 0.01 -0.79 0.06 -0.92 0.00 0.00 0.00 179.25 177.61 3khg h TYR 122 N -0.37 0.07 -0.64 0.00 3.20 -0.10 -0.08 116.97 119.06 3khg h TYR 122 Ca 0.11 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3khg h TYR 122 Cb 0.55 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3khg h TYR 122 CO -0.44 -0.09 0.21 -0.91 -1.64 0.00 0.00 178.16 175.28 3khg h ASN 123 N 0.18 0.90 -0.75 -2.11 2.35 -0.56 0.15 115.58 115.74 3khg h ASN 123 Ca 0.29 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3khg h ASN 123 Cb 0.45 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3khg h ASN 123 CO -0.43 0.84 0.35 0.25 -1.65 0.00 0.00 177.43 176.78 3khg h LEU 124 N 0.94 0.99 0.25 1.61 5.85 -0.37 -1.14 115.31 123.44 3khg h LEU 124 Ca 0.21 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3khg h LEU 124 Cb 0.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3khg h LEU 124 CO -0.01 0.86 -0.47 1.23 -0.34 0.00 0.00 178.44 179.71 3khg h GLY 125 N 1.06 -1.05 -0.51 3.75 0.00 0.54 0.26 103.07 107.12 3khg h GLY 125 Ca 0.26 0.56 0.20 0.00 0.00 0.00 0.00 47.33 48.35 3khg h GLY 125 CO -0.03 -0.30 0.04 1.41 0.00 0.00 0.00 176.54 177.66 3khg h LEU 126 N -0.79 -0.33 -0.15 3.11 3.38 -0.68 0.56 115.31 120.41 3khg h LEU 126 Ca -0.01 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3khg h LEU 126 Cb 0.76 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3khg h LEU 126 CO -0.19 -0.21 0.05 -0.08 0.09 0.00 0.00 178.44 178.10 3khg h GLU 127 N 0.10 0.24 -0.47 1.13 4.81 -0.15 -1.52 114.58 118.73 3khg h GLU 127 Ca 0.47 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.71 3khg h GLU 127 Cb 0.89 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 3khg h GLU 127 CO -0.72 0.36 0.17 0.82 -0.73 0.00 0.00 179.01 178.91 3khg h ILE 128 N 0.07 0.85 -0.75 2.32 2.04 0.78 -1.49 117.51 121.34 3khg h ILE 128 Ca 0.05 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3khg h ILE 128 Cb 0.22 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3khg h ILE 128 CO -0.00 0.06 0.47 0.11 0.00 0.00 0.00 178.15 178.79 3khg h LYS 129 N 0.34 0.87 -0.63 2.37 1.57 -0.59 -1.88 116.57 118.62 3khg h LYS 129 Ca 0.22 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3khg h LYS 129 Cb 0.22 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3khg h LYS 129 CO -0.22 0.58 0.09 -0.91 -0.57 0.00 0.00 179.45 178.42 3khg h ASN 130 N 0.90 1.00 -0.36 0.86 2.35 -0.86 -1.85 115.58 117.62 3khg h ASN 130 Ca 0.31 -0.23 -0.17 0.00 -0.55 0.00 0.00 56.30 55.66 3khg h ASN 130 Cb 0.06 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3khg h ASN 130 CO -0.13 1.00 -0.44 0.50 -1.65 0.00 0.00 177.43 176.71 3khg h LYS 131 N 0.98 0.93 -0.01 0.81 1.63 -0.60 0.42 116.57 120.72 3khg h LYS 131 Ca 0.19 -0.52 -0.15 0.00 -0.85 0.00 0.00 60.65 59.32 3khg h LYS 131 Cb 0.43 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3khg h LYS 131 CO 0.01 1.17 -0.71 0.82 -3.45 0.00 0.00 179.45 177.29 3khg h ILE 132 N 0.74 1.49 -0.29 2.00 2.04 -1.39 -1.83 117.51 120.28 3khg h ILE 132 Ca 0.05 -2.38 -0.18 0.00 1.00 0.00 0.00 64.86 63.34 3khg h ILE 132 Cb 1.04 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3khg h ILE 132 CO 0.10 0.68 -0.53 0.25 0.00 0.00 0.00 178.15 178.66 3khg h LEU 133 N 0.03 0.94 0.68 1.44 5.85 -0.61 -2.02 115.31 121.61 3khg h LEU 133 Ca -0.01 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 3khg h LEU 133 Cb 1.25 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.02 3khg h LEU 133 CO 0.10 1.28 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.82 3khg h GLU 134 N 0.65 -0.88 0.00 1.25 5.08 -0.07 -2.68 114.58 117.93 3khg h GLU 134 Ca 0.02 0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 3khg h GLU 134 Cb 1.13 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3khg h GLU 134 CO 0.12 -0.55 -1.05 0.87 -1.00 0.00 0.00 179.01 177.40 3khg h LYS 135 N -1.04 0.00 0.00 2.33 1.57 -1.42 -3.38 116.57 114.63 3khg h LYS 135 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3khg h LYS 135 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3khg h LYS 135 CO 0.15 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 180.06 3khg n GLU 136 N -3.18 -0.26 -0.76 3.15 -0.58 -0.78 -5.02 120.64 113.22 3khg n GLU 136 Ca -0.04 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 3khg n GLU 136 Cb 0.88 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 3khg n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khg n LYS 137 N -0.06 -1.46 -3.18 3.49 4.76 -1.01 -4.96 118.16 115.75 3khg n LYS 137 Ca 0.00 0.32 -0.39 0.00 -2.87 0.00 0.00 58.31 55.37 3khg n LYS 137 Cb 0.11 -4.54 -0.06 0.00 -1.84 0.00 0.00 35.03 28.70 3khg n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khg s ILE 138 N -0.88 4.82 -0.06 -0.18 -1.09 -1.24 -4.95 121.20 117.62 3khg s ILE 138 Ca 0.00 1.31 -0.16 0.00 -2.23 0.00 0.00 60.65 59.57 3khg s ILE 138 Cb 0.00 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 3khg s ILE 138 CO 0.00 0.44 0.43 0.42 -1.23 0.00 0.00 174.94 175.00 3khg s THR 139 N -0.41 5.10 0.45 2.92 -4.23 -1.26 -3.82 115.64 114.40 3khg s THR 139 Ca 0.32 0.86 0.05 0.00 -1.18 0.00 0.00 61.69 61.74 3khg s THR 139 Cb -0.19 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.85 3khg s THR 139 CO 0.19 0.47 0.05 0.68 -0.54 0.00 0.00 174.62 175.47 3khg s VAL 140 N -0.30 1.77 -0.06 2.29 -7.23 -1.26 -1.70 120.40 113.91 3khg s VAL 140 Ca 0.24 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 3khg s VAL 140 Cb -0.16 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.09 3khg s VAL 140 CO 0.11 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.88 3khg s THR 141 N -2.75 1.20 -0.11 5.32 2.01 -0.22 -3.86 115.64 117.23 3khg s THR 141 Ca 0.27 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.75 3khg s THR 141 Cb 0.06 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 3khg s THR 141 CO 0.14 0.37 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.61 3khg s VAL 142 N 0.54 3.00 -0.13 3.82 1.01 0.33 -2.13 120.40 126.85 3khg s VAL 142 Ca -0.13 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3khg s VAL 142 Cb -0.15 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3khg s VAL 142 CO 0.04 0.54 -0.21 -0.83 0.00 0.00 0.00 175.10 174.64 3khg s GLY 143 N 0.17 1.39 -0.12 4.51 0.00 -0.42 -0.81 107.32 112.04 3khg s GLY 143 Ca -0.08 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.64 3khg s GLY 143 CO 0.05 -0.13 -0.20 -0.42 0.00 0.00 0.00 173.10 172.39 3khg s ILE 144 N 0.61 2.34 0.17 0.90 1.01 -0.05 -0.40 121.20 125.77 3khg s ILE 144 Ca -0.11 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 3khg s ILE 144 Cb -0.16 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.40 3khg s ILE 144 CO 0.03 0.54 0.35 -0.24 0.00 0.00 0.00 174.94 175.63 3khg n SER 145 N 3.69 -0.99 0.23 3.58 2.88 -0.89 -0.83 113.62 121.30 3khg n SER 145 Ca -0.19 -1.67 0.13 0.00 -1.33 0.00 0.00 58.87 55.80 3khg n SER 145 Cb 0.52 1.64 0.30 0.00 -0.75 0.00 0.00 64.21 65.92 3khg n SER 145 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3khg h LYS 146 N 0.00 0.00 -4.33 -1.46 2.10 -1.81 0.10 116.57 111.17 3khg h LYS 146 Ca -0.14 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.18 3khg h LYS 146 Cb 0.54 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.78 3khg h LYS 146 CO 0.18 0.04 -0.27 0.54 -2.00 0.00 0.00 179.45 177.94 3khg s ASN 147 N -6.10 1.13 0.08 7.07 2.20 -1.26 -4.54 114.94 113.52 3khg s ASN 147 Ca 0.05 -1.57 -0.19 0.00 -0.94 0.00 0.00 52.86 50.21 3khg s ASN 147 Cb 0.06 0.64 -0.09 0.00 -2.00 0.00 0.00 41.25 39.86 3khg s ASN 147 CO 0.64 -1.24 1.56 0.11 -2.94 0.00 0.00 177.10 175.23 3khg h LYS 148 N 2.12 0.36 -0.01 3.55 1.57 -1.90 -2.42 116.57 119.83 3khg h LYS 148 Ca -0.27 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3khg h LYS 148 Cb 1.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3khg h LYS 148 CO 0.38 0.49 -0.05 0.28 -0.57 0.00 0.00 179.45 179.98 3khg h VAL 149 N 0.16 0.86 0.00 0.50 2.07 -1.97 -0.40 116.25 117.47 3khg h VAL 149 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3khg h VAL 149 Cb 0.31 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3khg h VAL 149 CO 0.00 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 177.25 3khg h PHE 150 N -0.08 0.00 -0.05 1.57 0.04 -1.98 -1.50 116.94 114.94 3khg h PHE 150 Ca 0.03 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.57 3khg h PHE 150 Cb 0.12 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.28 3khg h PHE 150 CO -0.13 0.08 -0.88 0.00 -0.60 0.00 0.00 178.31 176.78 3khg h ALA 151 N 1.92 0.35 -0.35 2.45 0.00 -0.88 -2.20 119.26 120.56 3khg h ALA 151 Ca -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 3khg h ALA 151 Cb 0.69 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3khg h ALA 151 CO 0.01 0.75 0.21 -0.22 0.00 0.00 0.00 179.25 180.00 3khg h LYS 152 N 0.35 0.47 -0.63 0.00 3.64 -0.91 -2.39 116.57 117.08 3khg h LYS 152 Ca -0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3khg h LYS 152 Cb 1.51 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 3khg h LYS 152 CO 0.16 0.34 0.31 0.82 -2.27 0.00 0.00 179.45 178.81 3khg h ILE 153 N 0.45 1.21 -0.66 2.00 2.04 -1.21 0.14 117.51 121.48 3khg h ILE 153 Ca 0.12 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3khg h ILE 153 Cb -0.01 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3khg h ILE 153 CO -0.02 0.24 0.41 0.00 0.00 0.00 0.00 178.15 178.78 3khg h ALA 154 N 1.44 0.87 -0.16 1.87 0.00 -1.26 -0.86 119.26 121.16 3khg h ALA 154 Ca 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3khg h ALA 154 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3khg h ALA 154 CO -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 3khg h ALA 155 N 1.29 0.23 -0.79 0.00 0.00 -0.67 -2.16 119.26 117.16 3khg h ALA 155 Ca 0.27 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3khg h ALA 155 Cb 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 3khg h ALA 155 CO -0.11 0.04 0.37 -0.44 0.00 0.00 0.00 179.25 179.11 3khg h ASP 156 N 0.01 0.42 0.61 0.00 3.32 -0.77 -0.29 116.42 119.72 3khg h ASP 156 Ca 0.04 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3khg h ASP 156 Cb 0.56 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3khg h ASP 156 CO 0.02 0.19 -0.17 0.24 -1.72 0.00 0.00 179.24 177.80 3khg h MET 157 N 0.55 0.00 -0.00 3.56 2.86 -0.82 -3.29 114.93 117.79 3khg h MET 157 Ca 0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3khg h MET 157 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3khg h MET 157 CO -0.36 0.17 -0.75 0.00 1.06 0.00 0.00 176.91 177.03 3khg n ALA 158 N -2.25 4.14 -0.75 6.32 0.00 -0.17 -5.03 120.51 122.77 3khg n ALA 158 Ca -0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.72 3khg n ALA 158 Cb 0.32 -0.66 0.25 0.00 0.00 0.00 0.00 19.45 19.36 3khg n ALA 158 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3khg n LYS 159 N -1.12 -3.68 0.00 0.00 2.85 -0.89 -3.70 118.16 111.62 3khg n LYS 159 Ca 0.04 -1.51 0.00 0.00 -1.05 0.00 0.00 58.31 55.79 3khg n LYS 159 Cb 0.31 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 3khg n LYS 159 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3khg n PRO 160 N -4.99 0.00 -3.68 -1.58 -0.04 -1.26 -4.80 135.00 118.65 3khg n PRO 160 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.36 3khg n PRO 160 Cb 0.55 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.06 3khg n PRO 160 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3khg n ASN 161 N 0.16 -3.31 -4.53 3.54 5.15 -1.26 -4.96 115.26 110.07 3khg n ASN 161 Ca 0.00 -0.71 -0.30 0.00 -0.60 0.00 0.00 54.58 52.97 3khg n ASN 161 Cb 0.00 -4.44 -0.08 0.00 -0.53 0.00 0.00 39.78 34.72 3khg n ASN 161 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3khg s GLY 162 N -3.89 2.82 -0.13 8.20 0.00 -1.24 -4.98 107.32 108.09 3khg s GLY 162 Ca 0.28 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 3khg s GLY 162 CO 0.78 -2.06 0.32 -1.50 0.00 0.00 0.00 173.10 170.64 3khg s ILE 163 N -2.99 -0.04 -0.11 0.90 2.07 -1.25 -0.51 121.20 119.26 3khg s ILE 163 Ca 0.15 0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.45 3khg s ILE 163 Cb 0.03 -0.48 0.04 0.00 0.13 0.00 0.00 42.46 42.18 3khg s ILE 163 CO 0.08 0.05 0.26 -0.75 -1.91 0.00 0.00 174.94 172.68 3khg s LYS 164 N 1.35 0.25 -0.02 3.50 2.47 0.01 -4.97 119.74 122.33 3khg s LYS 164 Ca -0.09 0.49 -0.03 0.00 -1.56 0.00 0.00 55.97 54.78 3khg s LYS 164 Cb -0.10 -0.02 -0.04 0.00 -1.46 0.00 0.00 37.83 36.21 3khg s LYS 164 CO -0.10 -0.12 0.17 0.08 0.16 0.00 0.00 175.35 175.54 3khg s VAL 165 N 0.89 5.38 -0.34 4.02 1.01 -1.26 -0.87 120.40 129.22 3khg s VAL 165 Ca -0.06 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3khg s VAL 165 Cb -0.07 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.92 3khg s VAL 165 CO -0.06 0.36 0.08 -0.63 0.00 0.00 0.00 175.10 174.85 3khg s ILE 166 N -1.28 1.86 1.01 2.22 1.01 -0.01 -4.95 121.20 121.06 3khg s ILE 166 Ca 0.26 -2.13 -0.12 0.00 0.00 0.00 0.00 60.65 58.65 3khg s ILE 166 Cb -0.12 -2.38 0.19 0.00 0.01 0.00 0.00 42.46 40.16 3khg s ILE 166 CO 0.17 -0.64 1.10 1.51 0.00 0.00 0.00 174.94 177.07 3khg s ASP 167 N 1.03 2.57 0.41 3.58 -4.77 -1.26 -4.30 116.67 113.93 3khg s ASP 167 Ca 0.11 1.14 0.29 0.00 -3.30 0.00 0.00 52.55 50.79 3khg s ASP 167 Cb -0.19 -1.80 1.43 0.00 -1.09 0.00 0.00 42.92 41.27 3khg s ASP 167 CO -0.12 -3.16 1.87 0.44 0.70 0.00 0.00 175.17 174.90 3khg h ASP 168 N -1.91 0.00 0.22 2.11 5.19 -2.00 -0.47 116.42 119.55 3khg h ASP 168 Ca -0.55 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.85 3khg h ASP 168 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 3khg h ASP 168 CO 0.58 0.00 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.52 3khg h GLU 169 N 0.00 -0.29 0.00 3.56 4.81 -1.99 -3.04 114.58 117.63 3khg h GLU 169 Ca 0.00 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3khg h GLU 169 Cb 0.15 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3khg h GLU 169 CO 0.00 0.06 -0.29 1.49 -0.73 0.00 0.00 179.01 179.54 3khg h GLU 170 N -0.94 0.00 -0.06 1.92 4.81 -1.70 0.41 114.58 119.02 3khg h GLU 170 Ca -0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3khg h GLU 170 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3khg h GLU 170 CO 0.05 0.29 -0.02 0.28 -0.73 0.00 0.00 179.01 178.88 3khg h VAL 171 N 0.00 0.92 -0.52 0.32 2.07 -1.24 0.29 116.25 118.09 3khg h VAL 171 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3khg h VAL 171 Cb 0.77 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 3khg h VAL 171 CO 0.04 0.00 0.21 0.11 0.02 0.00 0.00 177.57 177.94 3khg h LYS 172 N -0.02 0.39 -0.33 1.57 1.79 -1.15 -1.99 116.57 116.83 3khg h LYS 172 Ca 0.03 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3khg h LYS 172 Cb 0.06 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 3khg h LYS 172 CO -0.07 0.26 0.19 -0.09 -1.08 0.00 0.00 179.45 178.66 3khg h ARG 173 N 0.40 0.45 -0.10 3.15 2.43 -0.44 -3.12 114.38 117.15 3khg h ARG 173 Ca 0.25 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 3khg h ARG 173 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3khg h ARG 173 CO -0.24 0.37 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.04 3khg h LEU 174 N 0.42 0.27 -1.57 3.80 3.38 -0.23 -0.95 115.31 120.43 3khg h LEU 174 Ca 0.12 -0.13 0.25 0.00 0.09 0.00 0.00 57.88 58.21 3khg h LEU 174 Cb 0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3khg h LEU 174 CO -0.02 0.72 0.66 0.40 0.09 0.00 0.00 178.44 180.28 3khg h ILE 175 N 0.21 0.58 0.00 1.22 2.04 -1.30 -0.64 117.51 119.61 3khg h ILE 175 Ca 0.01 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.62 3khg h ILE 175 Cb 0.93 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3khg h ILE 175 CO 0.08 0.06 -1.48 0.54 0.00 0.00 0.00 178.15 177.35 3khg n ARG 176 N -4.49 0.63 0.00 2.37 1.74 -0.44 -0.68 116.66 115.79 3khg n ARG 176 Ca 0.22 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 3khg n ARG 176 Cb 0.86 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3khg n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3khg n GLU 177 N -2.81 2.80 -2.29 5.56 1.02 -0.75 -4.86 120.64 119.32 3khg n GLU 177 Ca -0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.63 3khg n GLU 177 Cb 0.81 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 31.21 3khg n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3khg s LEU 178 N -3.62 4.44 -0.08 -4.62 2.96 -0.29 -4.94 118.68 112.52 3khg s LEU 178 Ca 0.00 2.35 -0.33 0.00 -0.22 0.00 0.00 54.13 55.93 3khg s LEU 178 Cb 0.00 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 3khg s LEU 178 CO 0.00 -0.44 1.91 -0.67 -1.32 0.00 0.00 176.35 175.84 3khg n ASP 179 N 2.32 3.53 0.10 3.68 -0.08 -1.26 -4.24 116.55 120.60 3khg n ASP 179 Ca 0.04 0.93 0.20 0.00 -1.51 0.00 0.00 54.79 54.45 3khg n ASP 179 Cb 0.44 -1.40 0.76 0.00 2.34 0.00 0.00 41.12 43.26 3khg n ASP 179 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3khg h ILE 180 N 5.58 0.41 0.00 5.18 2.10 -1.46 0.49 117.51 129.80 3khg h ILE 180 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3khg h ILE 180 Cb 1.27 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3khg h ILE 180 CO 0.95 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.02 3khg n ALA 181 N -2.36 2.23 -0.11 0.18 0.00 -1.26 -2.24 120.51 116.95 3khg n ALA 181 Ca 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.50 3khg n ALA 181 Cb 0.57 -1.18 0.17 0.00 0.00 0.00 0.00 19.45 19.01 3khg n ALA 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3khg n ASP 182 N -0.76 2.98 -4.60 0.00 8.00 0.17 -4.85 116.55 117.50 3khg n ASP 182 Ca 0.08 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 3khg n ASP 182 Cb 0.04 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 3khg n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3khg s VAL 183 N -1.01 4.96 0.06 2.53 1.01 -0.95 -4.95 120.40 122.04 3khg s VAL 183 Ca 0.26 0.86 -0.24 0.00 0.00 0.00 0.00 61.98 62.86 3khg s VAL 183 Cb 0.14 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.42 3khg s VAL 183 CO 0.19 -0.11 0.56 -2.65 0.00 0.00 0.00 175.10 173.09 3khg n PRO 184 N 5.83 0.00 -0.61 2.72 -0.02 -1.26 -1.67 135.00 139.99 3khg n PRO 184 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3khg n PRO 184 Cb 0.49 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 3khg n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khg n GLY 185 N 1.18 0.75 3.05 -1.23 0.00 -1.26 -5.03 105.19 102.65 3khg n GLY 185 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3khg n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khg s ILE 186 N -2.64 2.32 0.00 -0.61 -1.09 -0.67 -5.03 121.20 113.47 3khg s ILE 186 Ca 0.00 -2.08 0.00 0.00 -2.23 0.00 0.00 60.65 56.34 3khg s ILE 186 Cb 0.00 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 3khg s ILE 186 CO 0.00 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 173.91 3khg n GLY 187 N 4.34 1.86 0.08 6.18 0.00 -1.26 -4.68 105.19 111.70 3khg n GLY 187 Ca -0.03 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 3khg n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khg h ASN 188 N 0.00 0.12 0.04 1.61 -0.26 -1.98 -0.36 115.58 114.75 3khg h ASN 188 Ca 0.00 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.51 3khg h ASN 188 Cb 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3khg h ASN 188 CO 0.00 0.32 -0.02 0.40 -1.06 0.00 0.00 177.43 177.07 3khg h ILE 189 N -0.08 1.06 -0.36 2.81 1.08 -2.00 -1.77 117.51 118.25 3khg h ILE 189 Ca 0.03 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 3khg h ILE 189 Cb 0.24 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 3khg h ILE 189 CO 0.00 0.08 -0.08 0.74 -0.69 0.00 0.00 178.15 178.20 3khg h THR 190 N -0.20 1.23 -0.46 -0.27 2.02 -1.94 -2.79 112.91 110.51 3khg h THR 190 Ca -0.01 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 3khg h THR 190 Cb 0.18 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3khg h THR 190 CO 0.01 0.34 0.07 0.00 0.37 0.00 0.00 175.52 176.31 3khg h ALA 191 N 1.35 0.62 0.00 6.16 0.00 -0.82 -2.39 119.26 124.17 3khg h ALA 191 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3khg h ALA 191 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3khg h ALA 191 CO 0.03 0.35 -0.25 0.93 0.00 0.00 0.00 179.25 180.30 3khg h GLU 192 N 0.64 0.00 -0.08 0.00 4.39 -1.18 -1.46 114.58 116.88 3khg h GLU 192 Ca 0.14 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.64 3khg h GLU 192 Cb 0.40 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3khg h GLU 192 CO 0.01 0.25 -0.72 0.87 -1.16 0.00 0.00 179.01 178.26 3khg h LYS 193 N 0.00 0.64 -0.17 2.33 1.57 -1.41 -3.06 116.57 116.47 3khg h LYS 193 Ca -0.00 -0.57 -0.08 0.00 -1.87 0.00 0.00 60.65 58.12 3khg h LYS 193 Cb 0.61 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3khg h LYS 193 CO 0.03 1.19 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.78 3khg h LEU 194 N 0.28 0.30 0.16 2.94 3.38 -1.06 -2.32 115.31 119.00 3khg h LEU 194 Ca -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3khg h LEU 194 Cb 1.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3khg h LEU 194 CO 0.15 0.56 -0.08 0.11 0.09 0.00 0.00 178.44 179.27 3khg h LYS 195 N 0.28 -0.20 -0.92 1.13 1.57 -1.35 0.41 116.57 117.48 3khg h LYS 195 Ca 0.04 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.11 3khg h LYS 195 Cb 0.60 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 32.81 3khg h LYS 195 CO 0.04 0.16 0.27 0.87 -0.57 0.00 0.00 179.45 180.22 3khg h LYS 196 N -0.61 0.17 0.00 3.15 1.57 -1.50 0.73 116.57 120.08 3khg h LYS 196 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3khg h LYS 196 Cb 0.46 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3khg h LYS 196 CO 0.04 0.11 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.84 3khg h LEU 197 N 0.17 0.00 0.00 2.94 3.38 -1.19 -3.47 115.31 117.15 3khg h LEU 197 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3khg h LEU 197 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3khg h LEU 197 CO -0.70 0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.56 3khg n GLY 198 N -0.21 0.94 3.26 0.83 0.00 0.25 -5.05 105.19 105.20 3khg n GLY 198 Ca -0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 3khg n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khg s ILE 199 N -2.00 4.15 -0.37 -0.61 1.01 0.13 -4.89 121.20 118.63 3khg s ILE 199 Ca 0.00 -1.46 0.12 0.00 0.00 0.00 0.00 60.65 59.31 3khg s ILE 199 Cb 0.00 -3.57 -0.15 0.00 0.01 0.00 0.00 42.46 38.75 3khg s ILE 199 CO 0.00 -0.53 0.42 0.59 0.00 0.00 0.00 174.94 175.42 3khg n ASN 200 N 4.89 1.12 -3.97 3.58 3.02 -1.26 -4.06 115.26 118.59 3khg n ASN 200 Ca -0.10 -0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 53.83 3khg n ASN 200 Cb 0.43 1.18 -0.12 0.00 -0.61 0.00 0.00 39.78 40.66 3khg n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3khg s LYS 201 N -2.34 0.28 0.30 3.52 -0.14 -1.26 -1.13 119.74 118.97 3khg s LYS 201 Ca 0.01 -0.48 0.05 0.00 -1.36 0.00 0.00 55.97 54.19 3khg s LYS 201 Cb 0.08 0.00 0.68 0.00 -1.68 0.00 0.00 37.83 36.91 3khg s LYS 201 CO 0.48 -0.02 1.81 1.25 -0.76 0.00 0.00 175.35 178.12 3khg h LEU 202 N 5.01 0.83 -1.74 3.17 6.46 -1.72 -0.52 115.31 126.80 3khg h LEU 202 Ca -0.31 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 3khg h LEU 202 Cb 1.21 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 3khg h LEU 202 CO 0.43 0.37 -0.17 1.62 -0.62 0.00 0.00 178.44 180.08 3khg h VAL 203 N 0.85 0.74 0.00 1.05 3.04 -1.23 -2.84 116.25 117.85 3khg h VAL 203 Ca 0.53 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3khg h VAL 203 Cb 0.72 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 3khg h VAL 203 CO -0.31 0.16 0.00 0.44 -1.01 0.00 0.00 177.57 176.85 3khg h ASP 204 N 0.00 0.00 1.05 3.17 3.32 -1.38 -2.31 116.42 120.28 3khg h ASP 204 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3khg h ASP 204 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3khg h ASP 204 CO 0.02 0.00 -0.11 0.71 -1.72 0.00 0.00 179.24 178.14 3khg h THR 205 N 0.00 0.27 0.00 0.35 1.35 -1.63 -2.71 112.91 110.54 3khg h THR 205 Ca 0.00 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 64.92 3khg h THR 205 Cb 0.20 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3khg h THR 205 CO 0.00 0.11 -0.41 -0.07 -0.25 0.00 0.00 175.52 174.90 3khg h LEU 206 N 0.00 0.00 0.00 3.87 3.38 -1.63 -3.31 115.31 117.62 3khg h LEU 206 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3khg h LEU 206 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3khg h LEU 206 CO 0.01 0.41 -1.24 0.28 0.09 0.00 0.00 178.44 178.00 3khg h SER 207 N 0.00 0.00 -4.12 -0.43 0.02 -1.62 -3.46 113.55 103.95 3khg h SER 207 Ca -0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.44 3khg h SER 207 Cb 1.30 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.89 3khg h SER 207 CO 0.05 0.71 0.32 -0.51 -1.14 0.00 0.00 176.83 176.27 3khg s ILE 208 N -2.83 4.76 0.32 3.27 2.07 -1.04 -5.07 121.20 122.68 3khg s ILE 208 Ca -0.01 0.69 -0.20 0.00 -1.41 0.00 0.00 60.65 59.72 3khg s ILE 208 Cb 0.08 -3.86 -0.09 0.00 0.13 0.00 0.00 42.46 38.72 3khg s ILE 208 CO 0.80 -1.04 0.83 -0.70 -1.91 0.00 0.00 174.94 172.93 3khg s GLU 209 N -4.99 4.25 0.06 3.50 2.12 -1.26 -4.94 118.70 117.43 3khg s GLU 209 Ca 0.53 0.98 -0.19 0.00 0.36 0.00 0.00 54.97 56.64 3khg s GLU 209 Cb -0.11 -2.57 -0.12 0.00 0.26 0.00 0.00 34.13 31.59 3khg s GLU 209 CO 0.50 0.20 1.41 0.35 -0.54 0.00 0.00 175.26 177.18 3khg h PHE 210 N 2.68 0.46 -0.28 5.30 3.57 -1.97 -2.84 116.94 123.87 3khg h PHE 210 Ca -0.48 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 60.89 3khg h PHE 210 Cb 1.18 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3khg h PHE 210 CO 0.62 0.71 0.12 -0.44 -2.23 0.00 0.00 178.31 177.09 3khg h ASP 211 N 0.09 0.35 -0.13 0.41 3.45 -1.99 0.66 116.42 119.26 3khg h ASP 211 Ca 0.04 -0.03 -0.21 0.00 0.43 0.00 0.00 57.03 57.26 3khg h ASP 211 Cb 0.59 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 39.28 3khg h ASP 211 CO 0.03 0.32 -0.74 0.50 -1.57 0.00 0.00 179.24 177.78 3khg h LYS 212 N 0.40 0.72 -0.03 3.56 3.64 -1.97 -1.92 116.57 120.96 3khg h LYS 212 Ca 0.10 -0.61 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3khg h LYS 212 Cb 0.08 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3khg h LYS 212 CO -0.01 1.22 -0.00 1.25 -2.27 0.00 0.00 179.45 179.63 3khg h LEU 213 N 0.42 0.06 -0.62 5.20 5.85 -1.24 -3.04 115.31 121.94 3khg h LEU 213 Ca -0.06 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.43 3khg h LEU 213 Cb 1.38 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 3khg h LEU 213 CO 0.15 0.38 -0.38 0.50 -0.34 0.00 0.00 178.44 178.75 3khg h LYS 214 N -0.27 -0.17 -1.34 1.25 3.64 -0.92 0.84 116.57 119.60 3khg h LYS 214 Ca 0.01 0.01 0.45 0.00 -1.27 0.00 0.00 60.65 59.85 3khg h LYS 214 Cb 0.35 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.08 3khg h LYS 214 CO 0.00 -0.11 0.86 0.78 -2.27 0.00 0.00 179.45 178.71 3khg h GLY 215 N -0.17 1.33 0.00 5.01 0.00 -1.23 -0.23 103.07 107.77 3khg h GLY 215 Ca 0.22 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.23 3khg h GLY 215 CO -0.71 -0.42 -1.38 -0.13 0.00 0.00 0.00 176.54 173.90 3khg n MET 216 N -4.70 0.54 -0.22 4.80 0.00 0.20 -4.67 117.12 113.07 3khg n MET 216 Ca 0.38 0.45 0.06 0.00 -0.00 0.00 0.00 57.70 58.60 3khg n MET 216 Cb 1.47 -1.64 0.18 0.00 0.00 0.00 0.00 33.22 33.23 3khg n MET 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3khg n ILE 217 N -4.43 1.10 0.00 1.12 -5.35 -0.68 -5.08 119.36 106.03 3khg n ILE 217 Ca -0.30 -1.06 0.00 0.00 -0.27 0.00 0.00 62.75 61.12 3khg n ILE 217 Cb 0.62 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 3khg n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khg n GLY 218 N 0.57 -1.97 0.25 3.28 0.00 -0.11 -4.33 105.19 102.88 3khg n GLY 218 Ca 0.14 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 3khg n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khg h GLU 219 N 0.00 -0.53 -0.32 1.61 4.81 -1.92 -2.45 114.58 115.78 3khg h GLU 219 Ca 0.00 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3khg h GLU 219 Cb 0.00 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 3khg h GLU 219 CO 0.00 -0.23 -0.22 0.00 -0.73 0.00 0.00 179.01 177.84 3khg h ALA 220 N -0.41 -0.01 -0.66 2.92 0.00 -1.97 -0.81 119.26 118.31 3khg h ALA 220 Ca -0.06 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3khg h ALA 220 Cb 0.55 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3khg h ALA 220 CO 0.09 -0.61 0.22 -0.22 0.00 0.00 0.00 179.25 178.73 3khg h LYS 221 N -0.18 1.00 0.39 0.00 3.64 -1.75 -2.37 116.57 117.31 3khg h LYS 221 Ca 0.16 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3khg h LYS 221 Cb 0.44 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3khg h LYS 221 CO -0.43 0.85 -0.43 0.00 -2.27 0.00 0.00 179.45 177.17 3khg h ALA 222 N 1.27 -0.93 -0.13 5.00 0.00 -0.69 -1.52 119.26 122.25 3khg h ALA 222 Ca 0.22 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3khg h ALA 222 Cb 0.25 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3khg h ALA 222 CO -0.01 -1.06 -0.15 0.87 0.00 0.00 0.00 179.25 178.89 3khg h LYS 223 N -0.85 -0.18 -0.43 0.00 1.57 -0.94 -0.02 116.57 115.71 3khg h LYS 223 Ca -0.03 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3khg h LYS 223 Cb 0.76 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 3khg h LYS 223 CO -0.09 -0.12 -0.39 -0.92 -0.57 0.00 0.00 179.45 177.35 3khg h TYR 224 N -0.19 -1.13 -0.29 -1.35 3.20 -1.36 0.50 116.97 116.35 3khg h TYR 224 Ca 0.09 0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3khg h TYR 224 Cb 0.33 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 3khg h TYR 224 CO -0.27 -0.42 0.13 -0.07 -1.64 0.00 0.00 178.16 175.89 3khg h LEU 225 N -0.29 0.18 0.08 2.82 3.38 -0.84 -0.95 115.31 119.69 3khg h LEU 225 Ca 0.16 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3khg h LEU 225 Cb 0.57 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3khg h LEU 225 CO -0.58 0.14 -0.18 0.40 0.09 0.00 0.00 178.44 178.30 3khg h ILE 226 N 0.27 0.58 -0.55 1.22 1.08 0.08 -1.72 117.51 118.47 3khg h ILE 226 Ca 0.12 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.68 3khg h ILE 226 Cb 0.06 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 34.31 3khg h ILE 226 CO -0.10 0.00 0.18 -1.28 -0.69 0.00 0.00 178.15 176.26 3khg h SER 227 N -0.34 0.15 -0.48 1.72 0.87 0.13 0.76 113.55 116.34 3khg h SER 227 Ca 0.03 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.76 3khg h SER 227 Cb 0.37 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.33 3khg h SER 227 CO -0.12 0.10 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.21 3khg h LEU 228 N 0.34 -0.21 -0.36 2.23 3.38 -0.86 -1.58 115.31 118.26 3khg h LEU 228 Ca 0.28 0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.21 3khg h LEU 228 Cb 0.34 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3khg h LEU 228 CO -0.30 -0.07 -0.38 0.00 0.09 0.00 0.00 178.44 177.78 3khg h ALA 229 N 1.43 0.54 0.00 1.53 0.00 -0.10 -1.92 119.26 120.74 3khg h ALA 229 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3khg h ALA 229 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3khg h ALA 229 CO -0.40 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.02 3khg n ARG 230 N -4.09 0.12 -1.60 0.00 1.74 0.06 -4.88 116.66 108.01 3khg n ARG 230 Ca -0.03 0.50 -0.11 0.00 -0.77 0.00 0.00 57.85 57.45 3khg n ARG 230 Cb 0.54 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3khg n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3khg n ASP 231 N -2.04 -4.03 0.01 0.55 -0.08 -0.72 -4.89 116.55 105.34 3khg n ASP 231 Ca 0.01 0.17 0.11 0.00 -1.51 0.00 0.00 54.79 53.57 3khg n ASP 231 Cb 0.11 -2.73 0.00 0.00 2.34 0.00 0.00 41.12 40.83 3khg n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3khg n GLU 232 N -2.47 0.19 -1.67 -0.67 1.02 -0.68 -4.95 120.64 111.40 3khg n GLU 232 Ca -0.11 -0.02 -0.52 0.00 -0.02 0.00 0.00 57.16 56.49 3khg n GLU 232 Cb 0.43 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3khg n GLU 232 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3khg n TYR 233 N -1.77 2.08 -2.68 -0.32 9.36 -1.07 -4.83 117.16 117.92 3khg n TYR 233 Ca 0.03 0.33 -0.04 0.00 3.32 0.00 0.00 57.90 61.54 3khg n TYR 233 Cb 0.40 -2.52 0.12 0.00 -0.63 0.00 0.00 39.34 36.72 3khg n TYR 233 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3khg n ASN 234 N 4.95 -1.48 -4.77 2.98 5.15 -1.26 -4.88 115.26 115.95 3khg n ASN 234 Ca 0.22 -2.29 -0.40 0.00 -0.60 0.00 0.00 54.58 51.51 3khg n ASN 234 Cb 0.22 0.74 0.01 0.00 -0.53 0.00 0.00 39.78 40.22 3khg n ASN 234 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3khg s GLU 235 N -0.01 3.85 0.70 1.20 0.41 -1.26 -5.00 118.70 118.59 3khg s GLU 235 Ca 0.14 2.40 -0.07 0.00 -0.41 0.00 0.00 54.97 57.03 3khg s GLU 235 Cb 0.43 -2.75 0.06 0.00 -1.78 0.00 0.00 34.13 30.08 3khg s GLU 235 CO -0.11 -0.68 1.02 -1.25 -0.49 0.00 0.00 175.26 173.74 3khg s PRO 236 N -2.32 2.26 -0.70 0.39 0.04 -1.26 -4.76 135.00 128.66 3khg s PRO 236 Ca 0.58 -0.19 -0.27 0.00 0.04 0.00 0.00 61.00 61.16 3khg s PRO 236 Cb -0.43 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 31.96 3khg s PRO 236 CO 0.56 -1.21 1.43 0.42 0.04 0.00 0.00 177.00 178.24 3khg s ILE 237 N -3.25 3.63 0.26 0.56 1.09 -1.26 -5.03 121.20 117.21 3khg s ILE 237 Ca 0.60 0.38 0.02 0.00 -1.10 0.00 0.00 60.65 60.54 3khg s ILE 237 Cb -0.11 -4.65 -0.03 0.00 -1.06 0.00 0.00 42.46 36.61 3khg s ILE 237 CO 0.45 -1.59 0.42 0.00 -0.10 0.00 0.00 174.94 174.13 3khg s ARG 238 N 6.05 3.47 0.14 2.79 1.04 -1.26 -4.83 118.95 126.35 3khg s ARG 238 Ca 0.44 -0.51 -0.30 0.00 -1.04 0.00 0.00 55.73 54.32 3khg s ARG 238 Cb -0.09 -2.81 -0.07 0.00 -2.04 0.00 0.00 34.95 29.94 3khg s ARG 238 CO 0.17 0.34 1.08 0.99 -0.04 0.00 0.00 175.30 177.85 3khg s THR 239 N -2.04 4.06 0.08 4.99 2.01 -1.26 -4.34 115.64 119.13 3khg s THR 239 Ca 0.37 1.69 -0.34 0.00 0.31 0.00 0.00 61.69 63.73 3khg s THR 239 Cb -0.10 -4.08 -0.13 0.00 0.01 0.00 0.00 72.50 68.20 3khg s THR 239 CO 0.31 0.25 1.71 -1.14 -0.69 0.00 0.00 174.62 175.06 3khg n ARG 240 N 2.77 2.23 -3.63 4.92 3.00 -1.26 -4.98 116.66 119.71 3khg n ARG 240 Ca 0.04 0.81 -0.27 0.00 -0.00 0.00 0.00 57.85 58.43 3khg n ARG 240 Cb 0.47 -2.62 -0.17 0.00 0.00 0.00 0.00 32.46 30.14 3khg n ARG 240 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3khg s VAL 241 N 2.14 0.09 0.30 5.15 1.01 -1.26 -5.04 120.40 122.79 3khg s VAL 241 Ca 0.84 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3khg s VAL 241 Cb -0.66 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 34.82 3khg s VAL 241 CO 0.42 -0.35 1.38 0.54 0.00 0.00 0.00 175.10 177.10 3khg n ARG 242 N 5.21 2.20 0.00 2.72 3.00 -1.26 -4.93 116.66 123.60 3khg n ARG 242 Ca -0.07 0.78 0.06 0.00 -0.01 0.00 0.00 57.85 58.60 3khg n ARG 242 Cb 0.47 -2.42 -0.06 0.00 0.00 0.00 0.00 32.46 30.46 3khg n ARG 242 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3khg n LYS 243 N 1.30 3.00 -3.70 5.56 5.02 -1.26 -4.97 118.16 123.11 3khg n LYS 243 Ca 0.08 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 3khg n LYS 243 Cb 0.35 -1.06 -0.11 0.00 -0.02 0.00 0.00 35.03 34.19 3khg n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khg s SER 244 N -2.03 -0.50 -0.03 4.39 1.04 -1.26 -3.87 113.70 111.44 3khg s SER 244 Ca 0.05 0.88 0.07 0.00 0.48 0.00 0.00 55.95 57.43 3khg s SER 244 Cb 0.09 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.96 3khg s SER 244 CO 0.46 -0.19 -0.22 -0.63 0.98 0.00 0.00 173.24 173.64 3khg s ILE 245 N 1.22 2.35 0.29 -1.02 -1.09 -1.00 -5.02 121.20 116.93 3khg s ILE 245 Ca -0.08 -0.99 -0.20 0.00 -2.23 0.00 0.00 60.65 57.15 3khg s ILE 245 Cb -0.08 -1.85 0.04 0.00 -1.58 0.00 0.00 42.46 38.99 3khg s ILE 245 CO -0.11 0.58 0.78 -0.83 -1.23 0.00 0.00 174.94 174.14 3khg s GLY 246 N -0.63 0.03 -0.30 6.18 0.00 -1.26 -0.55 107.32 110.78 3khg s GLY 246 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 3khg s GLY 246 CO -0.00 -0.03 0.85 -1.60 0.00 0.00 0.00 173.10 172.31 3khg s ARG 247 N -3.32 0.40 -0.03 2.90 6.06 -0.56 -4.93 118.95 119.47 3khg s ARG 247 Ca 0.13 0.92 0.03 0.00 -2.50 0.00 0.00 55.73 54.30 3khg s ARG 247 Cb -0.05 0.54 0.00 0.00 0.06 0.00 0.00 34.95 35.51 3khg s ARG 247 CO 0.08 -0.22 -0.10 0.96 -2.50 0.00 0.00 175.30 173.52 3khg s ILE 248 N 2.70 0.87 0.14 4.11 -5.25 -1.26 -1.81 121.20 120.69 3khg s ILE 248 Ca 0.00 -0.39 0.05 0.00 -0.99 0.00 0.00 60.65 59.32 3khg s ILE 248 Cb -0.10 -0.78 -0.04 0.00 2.95 0.00 0.00 42.46 44.50 3khg s ILE 248 CO -0.18 0.27 -0.11 0.68 -1.79 0.00 0.00 174.94 173.82 3khg s VAL 249 N 0.27 1.17 -0.21 8.37 -7.23 0.94 -4.92 120.40 118.79 3khg s VAL 249 Ca -0.05 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 3khg s VAL 249 Cb -0.10 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3khg s VAL 249 CO 0.01 -0.66 0.55 -0.89 -0.31 0.00 0.00 175.10 173.80 3khg s THR 250 N -2.97 5.08 0.74 5.32 2.01 -1.26 -1.06 115.64 123.49 3khg s THR 250 Ca 0.14 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 63.04 3khg s THR 250 Cb 0.00 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.68 3khg s THR 250 CO 0.01 0.15 1.09 -0.04 -0.69 0.00 0.00 174.62 175.14 3khg s MET 251 N 1.78 2.55 0.32 4.92 -1.94 -0.39 -4.98 119.30 121.56 3khg s MET 251 Ca 0.25 0.63 0.07 0.00 -1.71 0.00 0.00 55.69 54.93 3khg s MET 251 Cb -0.16 -1.97 0.55 0.00 2.01 0.00 0.00 34.83 35.27 3khg s MET 251 CO 0.10 -1.29 1.77 -0.22 -0.01 0.00 0.00 175.02 175.37 3khg h LYS 252 N -0.85 0.27 -2.99 2.03 1.63 -1.89 -3.45 116.57 111.32 3khg h LYS 252 Ca -0.46 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.16 3khg h LYS 252 Cb 1.25 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.69 3khg h LYS 252 CO 0.61 0.55 -0.12 -0.98 -3.45 0.00 0.00 179.45 176.05 3khg s ARG 253 N -4.38 0.89 0.54 1.90 1.70 -1.26 -4.38 118.95 113.96 3khg s ARG 253 Ca -0.05 -0.32 -0.21 0.00 -0.47 0.00 0.00 55.73 54.68 3khg s ARG 253 Cb 0.14 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 3khg s ARG 253 CO 0.76 -0.30 1.29 -0.80 -1.08 0.00 0.00 175.30 175.17 3khg s ASN 254 N -1.88 5.42 0.09 -2.89 0.01 -1.26 -4.93 114.94 109.50 3khg s ASN 254 Ca -0.07 2.59 -0.22 0.00 -0.71 0.00 0.00 52.86 54.45 3khg s ASN 254 Cb -0.01 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.08 3khg s ASN 254 CO -0.01 -1.45 0.54 -0.55 -1.51 0.00 0.00 177.10 174.12 3khg s SER 255 N -1.18 -0.46 0.00 -1.22 0.15 -0.98 -4.89 113.70 105.12 3khg s SER 255 Ca 0.71 0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.47 3khg s SER 255 Cb -0.36 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.51 3khg s SER 255 CO 0.42 -0.81 0.70 0.54 1.20 0.00 0.00 173.24 175.29 3khg n ARG 256 N 0.09 0.22 -2.57 5.44 1.74 -1.26 -0.83 116.66 119.49 3khg n ARG 256 Ca -0.18 -0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 55.58 3khg n ARG 256 Cb 0.62 -1.06 -0.02 0.00 -1.02 0.00 0.00 32.46 30.98 3khg n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khg s ASN 257 N -0.42 6.46 0.38 0.55 3.04 -1.26 -4.90 114.94 118.78 3khg s ASN 257 Ca 0.04 0.17 0.19 0.00 0.04 0.00 0.00 52.86 53.31 3khg s ASN 257 Cb 0.03 -2.55 1.18 0.00 -1.54 0.00 0.00 41.25 38.36 3khg s ASN 257 CO 0.04 -1.46 1.67 0.25 -3.04 0.00 0.00 177.10 174.56 3khg h LEU 258 N 11.89 0.44 -0.43 3.21 5.85 -1.98 0.24 115.31 134.52 3khg h LEU 258 Ca -0.25 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.47 3khg h LEU 258 Cb 1.06 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3khg h LEU 258 CO 1.18 -0.11 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.41 3khg h GLU 259 N 0.27 0.84 0.00 1.25 4.39 -2.02 -1.81 114.58 117.51 3khg h GLU 259 Ca 0.73 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 3khg h GLU 259 Cb 1.88 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.54 3khg h GLU 259 CO -0.51 1.10 -0.43 1.49 -1.16 0.00 0.00 179.01 179.50 3khg h GLU 260 N 0.68 0.00 0.11 2.33 4.81 -0.99 -3.36 114.58 118.17 3khg h GLU 260 Ca 0.05 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.91 3khg h GLU 260 Cb 1.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3khg h GLU 260 CO 0.10 0.43 -2.04 -0.89 -0.73 0.00 0.00 179.01 175.88 3khg n ILE 261 N -3.99 1.76 -0.25 2.32 5.41 -0.34 -4.47 119.36 119.79 3khg n ILE 261 Ca -0.02 -0.65 -0.02 0.00 1.00 0.00 0.00 62.75 63.07 3khg n ILE 261 Cb 0.46 -1.71 0.04 0.00 -0.71 0.00 0.00 39.64 37.73 3khg n ILE 261 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3khg h LYS 262 N 0.06 -0.07 -0.70 0.38 1.57 -1.47 -0.74 116.57 115.59 3khg h LYS 262 Ca -0.44 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.50 3khg h LYS 262 Cb 2.02 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 34.31 3khg h LYS 262 CO 0.07 -0.05 0.48 -1.35 -0.57 0.00 0.00 179.45 178.03 3khg h PRO 263 N -0.08 0.27 0.17 3.15 0.11 -1.78 0.30 132.00 134.14 3khg h PRO 263 Ca 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3khg h PRO 263 Cb 0.56 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3khg h PRO 263 CO -0.76 0.18 -0.08 1.88 -0.21 0.00 0.00 178.00 179.00 3khg h TYR 264 N 0.28 -0.22 -0.91 0.65 0.05 -1.42 -1.64 116.97 113.77 3khg h TYR 264 Ca 0.34 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.21 3khg h TYR 264 Cb 0.94 0.07 -0.07 0.00 1.01 0.00 0.00 36.73 38.69 3khg h TYR 264 CO -0.00 0.14 0.58 1.25 -1.05 0.00 0.00 178.16 179.08 3khg h LEU 265 N -0.61 0.83 0.06 3.88 5.85 -0.04 -0.56 115.31 124.71 3khg h LEU 265 Ca -0.02 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 3khg h LEU 265 Cb 0.45 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3khg h LEU 265 CO 0.04 0.48 -1.15 -0.26 -0.34 0.00 0.00 178.44 177.22 3khg h PHE 266 N 0.91 0.24 -0.11 1.25 0.04 -0.57 -2.10 116.94 116.59 3khg h PHE 266 Ca 0.42 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 3khg h PHE 266 Cb 0.40 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3khg h PHE 266 CO -0.00 1.14 -0.24 0.00 -0.60 0.00 0.00 178.31 178.61 3khg h ARG 267 N 0.04 0.19 -0.63 1.51 3.08 -0.92 -1.34 114.38 116.30 3khg h ARG 267 Ca -0.08 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3khg h ARG 267 Cb 1.88 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.88 3khg h ARG 267 CO 0.16 0.43 0.27 0.00 -1.07 0.00 0.00 179.97 179.76 3khg h ALA 268 N 1.58 0.82 -0.13 0.04 0.00 -0.81 -2.69 119.26 118.07 3khg h ALA 268 Ca 0.03 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3khg h ALA 268 Cb 0.53 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3khg h ALA 268 CO 0.04 0.43 -0.67 0.82 0.00 0.00 0.00 179.25 179.87 3khg h ILE 269 N 0.89 1.34 -0.47 0.00 2.04 -1.05 -2.47 117.51 117.78 3khg h ILE 269 Ca 0.21 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 3khg h ILE 269 Cb 0.19 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3khg h ILE 269 CO -0.02 0.61 0.17 -0.33 0.00 0.00 0.00 178.15 178.57 3khg h GLU 270 N 0.38 0.72 -0.04 2.37 4.39 -1.21 -0.73 114.58 120.46 3khg h GLU 270 Ca -0.02 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 3khg h GLU 270 Cb 1.24 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3khg h GLU 270 CO 0.12 0.67 -0.43 0.93 -1.16 0.00 0.00 179.01 179.14 3khg h GLU 271 N 0.62 0.08 -0.02 2.33 5.08 -1.49 -1.50 114.58 119.68 3khg h GLU 271 Ca 0.15 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3khg h GLU 271 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3khg h GLU 271 CO -0.01 0.50 -0.20 0.77 -1.00 0.00 0.00 179.01 179.07 3khg h SER 272 N 0.07 0.21 -0.54 1.42 0.02 -1.16 0.20 113.55 113.77 3khg h SER 272 Ca 0.00 -0.72 -0.01 0.00 -0.84 0.00 0.00 61.79 60.22 3khg h SER 272 Cb 0.79 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 3khg h SER 272 CO 0.06 0.90 0.32 1.88 -1.14 0.00 0.00 176.83 178.84 3khg h TYR 273 N -0.47 0.74 -0.47 3.45 0.05 -1.13 0.11 116.97 119.25 3khg h TYR 273 Ca -0.02 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 3khg h TYR 273 Cb 0.91 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 3khg h TYR 273 CO 0.16 0.51 0.01 -0.92 -1.05 0.00 0.00 178.16 176.87 3khg h TYR 274 N 0.78 0.89 -0.15 4.88 3.20 -1.18 -2.93 116.97 122.46 3khg h TYR 274 Ca 0.20 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3khg h TYR 274 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3khg h TYR 274 CO 0.00 0.85 -0.26 0.87 -1.64 0.00 0.00 178.16 177.98 3khg h LYS 275 N 0.67 0.27 0.13 1.82 1.57 -0.24 -3.20 116.57 117.59 3khg h LYS 275 Ca 0.13 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3khg h LYS 275 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3khg h LYS 275 CO 0.02 0.52 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.22 3khg h LEU 276 N 0.24 -0.36 -2.61 2.94 3.38 -0.62 -3.48 115.31 114.81 3khg h LEU 276 Ca 0.04 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3khg h LEU 276 Cb 0.60 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3khg h LEU 276 CO 0.04 -0.20 -0.72 -0.67 0.09 0.00 0.00 178.44 176.98 3khg n ASP 277 N -5.26 -7.33 0.00 -0.43 4.64 -1.19 -3.30 116.55 103.68 3khg n ASP 277 Ca -0.07 0.41 0.00 0.00 -1.38 0.00 0.00 54.79 53.75 3khg n ASP 277 Cb 0.18 -4.40 0.00 0.00 -1.04 0.00 0.00 41.12 35.86 3khg n ASP 277 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khg n LYS 278 N -0.18 0.00 -2.94 -0.67 4.76 -1.26 -5.01 118.16 112.86 3khg n LYS 278 Ca 0.06 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.10 3khg n LYS 278 Cb 0.49 -0.83 -0.05 0.00 -1.84 0.00 0.00 35.03 32.80 3khg n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3khg s ARG 279 N -0.32 4.57 -0.20 1.97 0.52 -1.21 -5.06 118.95 119.24 3khg s ARG 279 Ca 0.00 1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 56.37 3khg s ARG 279 Cb 0.00 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.16 3khg s ARG 279 CO 0.00 0.41 -0.12 0.42 0.02 0.00 0.00 175.30 176.03 3khg s ILE 280 N -0.56 2.75 -0.00 1.52 -1.09 -1.26 -4.92 121.20 117.63 3khg s ILE 280 Ca 0.39 -0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 3khg s ILE 280 Cb -0.22 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.40 3khg s ILE 280 CO 0.26 0.48 0.32 -2.16 -1.23 0.00 0.00 174.94 172.61 3khg s PRO 281 N 1.32 3.71 0.00 2.79 0.04 -1.26 -0.94 135.00 140.67 3khg s PRO 281 Ca 0.04 0.14 0.24 0.00 0.04 0.00 0.00 61.00 61.46 3khg s PRO 281 Cb -0.14 -3.13 0.33 0.00 0.04 0.00 0.00 34.50 31.60 3khg s PRO 281 CO -0.07 0.67 1.29 1.63 0.04 0.00 0.00 177.00 180.56 3khg n LYS 282 N 1.48 0.15 -3.90 4.56 5.02 -0.20 -0.60 118.16 124.66 3khg n LYS 282 Ca -0.13 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 55.95 3khg n LYS 282 Cb 0.53 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.92 3khg n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khg s ALA 283 N -2.92 -0.01 0.00 7.82 0.00 -0.88 0.18 121.76 125.95 3khg s ALA 283 Ca 0.12 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3khg s ALA 283 Cb 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3khg s ALA 283 CO 0.72 -0.07 -0.18 -1.50 0.00 0.00 0.00 175.76 174.73 3khg s ILE 284 N -0.56 1.39 -0.08 0.00 2.07 -0.75 -1.43 121.20 121.85 3khg s ILE 284 Ca -0.06 -0.84 -0.01 0.00 -1.41 0.00 0.00 60.65 58.33 3khg s ILE 284 Cb -0.04 -1.18 0.03 0.00 0.13 0.00 0.00 42.46 41.40 3khg s ILE 284 CO -0.00 0.32 -0.02 -1.00 -1.91 0.00 0.00 174.94 172.32 3khg s HIS 285 N -0.51 0.88 -0.08 3.50 3.76 0.19 -1.97 115.29 121.05 3khg s HIS 285 Ca 0.06 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.48 3khg s HIS 285 Cb -0.07 -0.89 -0.05 0.00 1.11 0.00 0.00 32.58 32.69 3khg s HIS 285 CO -0.00 -0.35 0.50 0.08 -0.85 0.00 0.00 174.74 174.12 3khg s VAL 286 N 1.76 5.10 -0.10 -0.90 1.01 -0.57 0.12 120.40 126.82 3khg s VAL 286 Ca 0.03 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.04 3khg s VAL 286 Cb -0.13 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3khg s VAL 286 CO -0.05 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.58 3khg s VAL 287 N 0.23 1.48 -0.07 2.92 1.01 0.65 -1.80 120.40 124.82 3khg s VAL 287 Ca 0.27 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3khg s VAL 287 Cb -0.16 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3khg s VAL 287 CO 0.12 0.43 -0.15 0.00 0.00 0.00 0.00 175.10 175.51 3khg s ALA 288 N 0.84 2.62 -0.22 5.51 0.00 0.20 -1.51 121.76 129.21 3khg s ALA 288 Ca -0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 3khg s ALA 288 Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3khg s ALA 288 CO 0.01 0.49 -0.01 0.08 0.00 0.00 0.00 175.76 176.32 3khg s VAL 289 N -0.48 3.66 0.78 0.00 1.01 0.19 -1.34 120.40 124.22 3khg s VAL 289 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3khg s VAL 289 Cb -0.12 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.65 3khg s VAL 289 CO 0.02 0.41 1.09 0.42 0.00 0.00 0.00 175.10 177.04 3khg s THR 290 N 1.43 3.19 0.39 3.92 -4.23 -0.69 0.33 115.64 119.97 3khg s THR 290 Ca 0.05 0.39 0.26 0.00 -1.18 0.00 0.00 61.69 61.21 3khg s THR 290 Cb -0.14 -3.14 0.41 0.00 1.34 0.00 0.00 72.50 70.97 3khg s THR 290 CO -0.01 -0.50 1.50 -1.84 -0.54 0.00 0.00 174.62 173.23 3khg n GLU 291 N -3.38 -0.04 -0.95 3.99 0.28 -0.95 -0.16 120.64 119.42 3khg n GLU 291 Ca 0.07 1.25 -0.08 0.00 -0.16 0.00 0.00 57.16 58.24 3khg n GLU 291 Cb 0.56 -2.36 0.24 0.00 1.43 0.00 0.00 31.44 31.31 3khg n GLU 291 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3khg n ASP 292 N -4.87 3.89 0.00 -1.84 3.85 -1.26 -4.95 116.55 111.37 3khg n ASP 292 Ca 0.38 -3.43 0.00 0.00 -0.71 0.00 0.00 54.79 51.03 3khg n ASP 292 Cb 1.38 -0.72 0.00 0.00 -1.35 0.00 0.00 41.12 40.43 3khg n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3khg n LEU 293 N -0.68 0.62 -4.76 -2.12 4.77 0.78 -5.00 117.00 110.61 3khg n LEU 293 Ca 0.41 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.04 3khg n LEU 293 Cb 1.32 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3khg n LEU 293 CO 0.39 -0.55 0.83 -0.62 -1.33 0.00 0.00 177.39 176.11 3khg s ASP 294 N -2.09 5.48 -0.12 -1.43 2.15 -1.26 -4.79 116.67 114.61 3khg s ASP 294 Ca 0.00 2.33 -0.01 0.00 0.43 0.00 0.00 52.55 55.30 3khg s ASP 294 Cb 0.00 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 3khg s ASP 294 CO 0.00 -1.39 -0.08 -0.63 -0.17 0.00 0.00 175.17 172.90 3khg s ILE 295 N -1.63 3.54 -0.01 4.11 1.01 -1.26 -1.71 121.20 125.25 3khg s ILE 295 Ca 0.74 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.90 3khg s ILE 295 Cb -0.29 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3khg s ILE 295 CO 0.32 0.53 -0.03 -0.69 0.00 0.00 0.00 174.94 175.06 3khg s VAL 296 N 0.07 0.31 0.10 2.92 1.01 -0.45 -5.03 120.40 119.32 3khg s VAL 296 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3khg s VAL 296 Cb -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3khg s VAL 296 CO 0.03 0.11 0.16 -0.94 0.00 0.00 0.00 175.10 174.46 3khg s SER 297 N 0.14 0.18 0.02 3.32 1.04 -1.26 0.60 113.70 117.74 3khg s SER 297 Ca -0.01 -0.80 -0.05 0.00 0.48 0.00 0.00 55.95 55.57 3khg s SER 297 Cb -0.04 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 3khg s SER 297 CO -0.00 -0.74 0.10 -0.13 0.98 0.00 0.00 173.24 173.44 3khg s ARG 298 N -3.91 0.49 0.23 4.02 1.81 -0.75 -5.03 118.95 115.82 3khg s ARG 298 Ca 0.09 -0.55 -0.06 0.00 -1.72 0.00 0.00 55.73 53.50 3khg s ARG 298 Cb 0.05 0.19 0.02 0.00 -0.45 0.00 0.00 34.95 34.77 3khg s ARG 298 CO -0.08 -0.11 0.41 0.41 -0.68 0.00 0.00 175.30 175.25 3khg n GLY 299 N 1.26 1.82 3.43 -3.53 0.00 -1.26 -1.51 105.19 105.40 3khg n GLY 299 Ca -0.22 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 3khg n GLY 299 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khg s ARG 300 N -2.22 0.76 -0.06 1.61 6.06 -0.83 -5.03 118.95 119.24 3khg s ARG 300 Ca 0.13 0.47 0.05 0.00 -2.50 0.00 0.00 55.73 53.87 3khg s ARG 300 Cb -0.02 0.36 -0.02 0.00 0.06 0.00 0.00 34.95 35.33 3khg s ARG 300 CO 0.09 -0.16 -0.20 0.99 -2.50 0.00 0.00 175.30 173.53 3khg s THR 301 N -0.37 2.56 0.14 4.11 2.01 -1.26 -1.81 115.64 121.02 3khg s THR 301 Ca -0.05 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.10 3khg s THR 301 Cb -0.03 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3khg s THR 301 CO 0.04 0.57 0.12 -0.36 -0.69 0.00 0.00 174.62 174.30 3khg s PHE 302 N -0.38 3.17 -2.00 4.92 0.40 0.13 -4.99 117.98 119.22 3khg s PHE 302 Ca 0.03 0.01 0.16 0.00 -0.60 0.00 0.00 56.93 56.54 3khg s PHE 302 Cb -0.12 -1.55 0.96 0.00 0.51 0.00 0.00 43.02 42.82 3khg s PHE 302 CO 0.02 0.52 1.37 -2.30 0.70 0.00 0.00 175.22 175.53 3khg n PRO 303 N -0.09 0.55 -3.79 0.24 -0.02 -1.26 -4.79 135.00 125.84 3khg n PRO 303 Ca -0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.25 3khg n PRO 303 Cb 0.54 -1.46 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 3khg n PRO 303 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3khg n HIS 304 N -0.96 -1.01 -2.09 6.00 8.25 -1.26 -5.13 115.22 119.03 3khg n HIS 304 Ca 0.12 -2.22 -0.37 0.00 -0.26 0.00 0.00 57.72 54.99 3khg n HIS 304 Cb 0.06 0.37 0.01 0.00 1.12 0.00 0.00 29.99 31.55 3khg n HIS 304 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3khg s GLY 305 N -2.94 2.78 -0.36 -1.41 0.00 -1.26 -4.40 107.32 99.74 3khg s GLY 305 Ca 0.30 1.04 -0.16 0.00 0.00 0.00 0.00 44.72 45.89 3khg s GLY 305 CO 0.21 1.49 0.41 -0.42 0.00 0.00 0.00 173.10 174.79 3khg s ILE 306 N -1.52 5.12 0.57 0.90 1.01 0.23 -4.97 121.20 122.53 3khg s ILE 306 Ca 0.69 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.23 3khg s ILE 306 Cb -0.31 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 3khg s ILE 306 CO 0.37 -0.18 1.03 -0.94 0.00 0.00 0.00 174.94 175.21 3khg s SER 307 N 1.75 6.15 0.23 3.58 1.04 -1.26 -4.61 113.70 120.58 3khg s SER 307 Ca 0.13 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 3khg s SER 307 Cb -0.16 -2.52 0.35 0.00 0.10 0.00 0.00 66.02 63.79 3khg s SER 307 CO 0.12 -0.91 1.77 0.50 0.98 0.00 0.00 173.24 175.70 3khg h LYS 308 N 0.55 0.53 -0.32 4.02 3.64 -1.99 0.62 116.57 123.62 3khg h LYS 308 Ca -0.47 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 3khg h LYS 308 Cb 1.20 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 3khg h LYS 308 CO 0.59 0.35 -0.02 1.49 -2.27 0.00 0.00 179.45 179.59 3khg h GLU 309 N 0.55 0.06 -0.82 1.90 4.57 -2.00 -1.81 114.58 117.03 3khg h GLU 309 Ca 0.35 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.54 3khg h GLU 309 Cb 0.41 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 3khg h GLU 309 CO -0.30 0.04 0.54 1.15 -1.18 0.00 0.00 179.01 179.26 3khg h THR 310 N 0.07 1.21 -0.78 0.32 2.02 -1.35 -2.10 112.91 112.30 3khg h THR 310 Ca 0.15 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.98 3khg h THR 310 Cb 0.21 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.59 3khg h THR 310 CO -0.27 0.21 0.49 0.00 0.37 0.00 0.00 175.52 176.31 3khg h ALA 311 N 1.48 1.02 -2.02 6.16 0.00 -0.33 -1.33 119.26 124.25 3khg h ALA 311 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3khg h ALA 311 Cb -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3khg h ALA 311 CO -0.06 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.13 3khg n TYR 312 N -4.62 0.00 -0.32 0.00 4.01 -0.74 -0.44 117.16 115.04 3khg n TYR 312 Ca 0.09 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 58.00 3khg n TYR 312 Cb 0.10 -0.16 0.33 0.00 -0.31 0.00 0.00 39.34 39.30 3khg n TYR 312 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3khg h SER 313 N 0.00 -0.22 -0.33 7.72 4.64 -1.53 0.24 113.55 124.07 3khg h SER 313 Ca 0.00 0.25 -0.15 0.00 -0.47 0.00 0.00 61.79 61.42 3khg h SER 313 Cb 0.00 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3khg h SER 313 CO 0.00 -0.31 -0.38 -0.08 -0.87 0.00 0.00 176.83 175.19 3khg h GLU 314 N 0.06 0.88 0.00 4.77 4.57 -1.21 -2.40 114.58 121.26 3khg h GLU 314 Ca 0.62 -0.46 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3khg h GLU 314 Cb 1.35 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.95 3khg h GLU 314 CO -0.82 1.10 -0.03 0.66 -1.18 0.00 0.00 179.01 178.74 3khg h SER 315 N 0.72 0.00 0.16 1.04 4.64 0.22 -0.24 113.55 120.09 3khg h SER 315 Ca 0.06 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.04 3khg h SER 315 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3khg h SER 315 CO 0.09 0.03 -1.74 0.58 -0.87 0.00 0.00 176.83 174.93 3khg h VAL 316 N 0.00 0.88 -0.41 0.95 2.07 -1.04 -2.25 116.25 116.45 3khg h VAL 316 Ca -0.00 -2.45 0.02 0.00 0.82 0.00 0.00 66.70 65.09 3khg h VAL 316 Cb 0.20 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 3khg h VAL 316 CO 0.00 0.83 0.27 0.11 0.02 0.00 0.00 177.57 178.81 3khg h LYS 317 N 0.01 0.47 -0.07 1.57 1.57 -1.06 0.11 116.57 119.16 3khg h LYS 317 Ca -0.36 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 3khg h LYS 317 Cb 2.01 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 34.22 3khg h LYS 317 CO 0.13 0.31 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.89 3khg h LEU 318 N 0.48 0.43 -0.22 2.94 3.38 -1.10 -1.87 115.31 119.36 3khg h LEU 318 Ca 0.16 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.49 3khg h LEU 318 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3khg h LEU 318 CO -0.04 1.02 0.09 0.25 0.09 0.00 0.00 178.44 179.85 3khg h LEU 319 N -0.13 0.11 0.07 1.67 5.85 -1.14 -2.02 115.31 119.72 3khg h LEU 319 Ca -0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3khg h LEU 319 Cb 1.02 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3khg h LEU 319 CO 0.07 0.09 -0.38 1.56 -0.34 0.00 0.00 178.44 179.45 3khg h GLN 320 N 0.19 -0.56 -0.99 1.25 4.20 -1.02 -0.84 115.11 117.36 3khg h GLN 320 Ca 0.09 0.04 0.31 0.00 0.06 0.00 0.00 58.65 59.15 3khg h GLN 320 Cb 0.05 0.13 -0.18 0.00 0.30 0.00 0.00 27.48 27.78 3khg h GLN 320 CO -0.09 -0.37 0.17 -0.22 -0.67 0.00 0.00 178.83 177.65 3khg h LYS 321 N -0.58 0.02 0.97 1.46 3.64 -1.11 0.18 116.57 121.15 3khg h LYS 321 Ca 0.04 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3khg h LYS 321 Cb 0.63 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3khg h LYS 321 CO -0.25 0.01 -0.47 0.82 -2.27 0.00 0.00 179.45 177.29 3khg h ILE 322 N 0.02 0.03 -0.96 2.00 2.04 -0.43 -1.86 117.51 118.34 3khg h ILE 322 Ca 0.66 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 66.65 3khg h ILE 322 Cb 1.48 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3khg h ILE 322 CO -0.87 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 177.82 3khg h LEU 323 N -1.33 0.77 -0.94 1.44 4.07 -0.51 -0.28 115.31 118.53 3khg h LEU 323 Ca -0.13 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 3khg h LEU 323 Cb 1.00 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.61 3khg h LEU 323 CO 0.22 0.37 0.34 -0.33 -1.08 0.00 0.00 178.44 177.96 3khg h GLU 324 N 0.81 1.10 -0.03 1.13 5.08 -0.58 -3.29 114.58 118.80 3khg h GLU 324 Ca 0.49 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3khg h GLU 324 Cb 0.69 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3khg h GLU 324 CO -0.26 0.87 0.00 0.39 -1.00 0.00 0.00 179.01 179.01 3khg n GLU 325 N -4.30 2.07 -3.66 2.33 1.02 -0.28 -4.87 120.64 112.96 3khg n GLU 325 Ca 0.07 -1.82 -0.06 0.00 -0.02 0.00 0.00 57.16 55.33 3khg n GLU 325 Cb 0.16 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 3khg n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khg s ASP 326 N -1.84 -0.83 0.00 1.62 -1.08 -0.28 -5.07 116.67 109.20 3khg s ASP 326 Ca 0.26 1.35 0.24 0.00 -0.52 0.00 0.00 52.55 53.88 3khg s ASP 326 Cb 0.18 1.57 0.25 0.00 -1.46 0.00 0.00 42.92 43.47 3khg s ASP 326 CO 0.28 -0.22 1.25 -1.84 0.52 0.00 0.00 175.17 175.16 3khg n GLU 327 N 4.84 1.17 -1.61 4.34 -0.00 -1.26 -4.36 120.64 123.76 3khg n GLU 327 Ca -0.16 -0.90 -0.34 0.00 -0.00 0.00 0.00 57.16 55.76 3khg n GLU 327 Cb 0.54 -1.48 0.07 0.00 -0.00 0.00 0.00 31.44 30.56 3khg n GLU 327 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3khg s ARG 328 N -2.45 2.48 1.09 3.44 0.52 -1.26 -5.02 118.95 117.74 3khg s ARG 328 Ca 0.21 1.61 -0.15 0.00 -0.52 0.00 0.00 55.73 56.87 3khg s ARG 328 Cb 0.19 -1.89 0.23 0.00 0.52 0.00 0.00 34.95 34.00 3khg s ARG 328 CO 0.54 -1.54 1.11 0.15 0.02 0.00 0.00 175.30 175.57 3khg s LYS 329 N -3.94 -0.30 -0.12 3.54 1.02 -1.26 -4.88 119.74 113.80 3khg s LYS 329 Ca 0.71 0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.96 3khg s LYS 329 Cb -0.25 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.39 3khg s LYS 329 CO 0.43 -3.16 -0.19 0.42 -0.92 0.00 0.00 175.35 171.93 3khg s ILE 330 N -3.01 1.80 -0.18 2.17 1.01 -0.01 -2.24 121.20 120.74 3khg s ILE 330 Ca 0.68 -0.83 0.17 0.00 0.00 0.00 0.00 60.65 60.66 3khg s ILE 330 Cb -0.15 -1.61 -0.23 0.00 0.01 0.00 0.00 42.46 40.48 3khg s ILE 330 CO 0.57 0.50 0.06 -1.14 0.00 0.00 0.00 174.94 174.93 3khg n ARG 331 N 4.08 0.95 -3.92 2.79 0.63 0.15 -2.32 116.66 119.02 3khg n ARG 331 Ca -0.20 -0.01 -0.10 0.00 -0.92 0.00 0.00 57.85 56.62 3khg n ARG 331 Cb 0.51 -1.48 -0.12 0.00 0.45 0.00 0.00 32.46 31.83 3khg n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khg s ARG 332 N -2.45 0.21 0.04 -0.14 0.52 -0.48 -1.26 118.95 115.38 3khg s ARG 332 Ca -0.09 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3khg s ARG 332 Cb 0.06 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.57 3khg s ARG 332 CO 0.77 -0.04 -0.04 -1.50 0.02 0.00 0.00 175.30 174.51 3khg s ILE 333 N -0.84 0.27 -1.35 1.52 1.10 -0.23 0.54 121.20 122.21 3khg s ILE 333 Ca -0.09 -1.31 0.00 0.00 -0.51 0.00 0.00 60.65 58.74 3khg s ILE 333 Cb -0.06 -0.83 0.00 0.00 0.15 0.00 0.00 42.46 41.72 3khg s ILE 333 CO -0.00 -0.67 0.00 0.61 -2.11 0.00 0.00 174.94 172.77 3khg n GLY 334 N 0.97 -1.36 3.04 1.50 0.00 -0.57 -0.04 105.19 108.73 3khg n GLY 334 Ca -0.20 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 3khg n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khg s VAL 335 N -2.73 0.29 -0.10 1.61 0.11 -0.75 -0.25 120.40 118.58 3khg s VAL 335 Ca 0.00 -1.25 -0.03 0.00 -2.93 0.00 0.00 61.98 57.76 3khg s VAL 335 Cb 0.00 -0.77 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 3khg s VAL 335 CO 0.00 -0.62 0.15 -0.60 -3.33 0.00 0.00 175.10 170.69 3khg s ARG 336 N -2.28 0.04 0.27 1.54 3.52 0.12 -1.49 118.95 120.67 3khg s ARG 336 Ca -0.07 0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.93 3khg s ARG 336 Cb -0.04 -0.63 -0.04 0.00 -1.56 0.00 0.00 34.95 32.67 3khg s ARG 336 CO -0.03 -0.40 0.48 -0.06 -0.81 0.00 0.00 175.30 174.47 3khg s PHE 337 N 2.26 3.49 0.20 5.12 0.08 0.28 -0.64 117.98 128.77 3khg s PHE 337 Ca 0.04 0.40 -0.23 0.00 0.12 0.00 0.00 56.93 57.26 3khg s PHE 337 Cb -0.13 -1.91 0.06 0.00 -0.57 0.00 0.00 43.02 40.46 3khg s PHE 337 CO -0.07 0.25 0.93 -1.54 -0.10 0.00 0.00 175.22 174.70 3khg s SER 338 N -3.47 -0.13 -0.89 1.36 1.04 -0.52 -2.38 113.70 108.71 3khg s SER 338 Ca 0.40 -0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 3khg s SER 338 Cb -0.10 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 3khg s SER 338 CO 0.31 -1.05 0.72 0.29 0.98 0.00 0.00 173.24 174.50 3khg n LYS 339 N -0.52 -1.44 -2.39 4.02 5.02 -1.25 -2.08 118.16 119.52 3khg n LYS 339 Ca -0.05 1.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.88 3khg n LYS 339 Cb 0.60 -4.53 -0.02 0.00 -0.02 0.00 0.00 35.03 31.05 3khg n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3khg s PHE 340 N -3.15 3.03 -2.00 2.13 0.08 -1.26 -1.04 117.98 115.78 3khg s PHE 340 Ca 0.16 1.58 0.17 0.00 0.12 0.00 0.00 56.93 58.97 3khg s PHE 340 Cb -0.05 -3.25 1.04 0.00 -0.57 0.00 0.00 43.02 40.19 3khg s PHE 340 CO 0.81 -1.11 1.45 -0.89 -0.10 0.00 0.00 175.22 175.38