#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkk s ILE 4 N 0.00 1.23 -0.10 5.18 1.09 -1.26 -5.10 121.20 122.23 3dkk s ILE 4 Ca 0.00 -1.58 -0.00 0.00 -1.10 0.00 0.00 60.65 57.97 3dkk s ILE 4 Cb 0.00 -1.89 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 3dkk s ILE 4 CO 0.00 -0.61 -0.08 -0.63 -0.10 0.00 0.00 174.94 173.52 3dkk s ILE 5 N 1.44 3.52 -0.03 2.92 1.09 -1.26 -2.03 121.20 126.86 3dkk s ILE 5 Ca 0.09 -0.52 0.07 0.00 -1.10 0.00 0.00 60.65 59.18 3dkk s ILE 5 Cb -0.18 -2.47 -0.02 0.00 -1.06 0.00 0.00 42.46 38.73 3dkk s ILE 5 CO -0.20 0.55 -0.22 -0.63 -0.10 0.00 0.00 174.94 174.34 3dkk s ILE 6 N -0.21 2.35 -0.24 2.92 -1.09 -0.81 -4.98 121.20 119.15 3dkk s ILE 6 Ca 0.02 -0.99 -0.10 0.00 -2.23 0.00 0.00 60.65 57.35 3dkk s ILE 6 Cb -0.13 -1.85 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 3dkk s ILE 6 CO 0.03 0.58 0.15 0.00 -1.23 0.00 0.00 174.94 174.47 3dkk s ALA 7 N -0.61 3.55 0.38 9.38 0.00 -1.26 -1.61 121.76 131.59 3dkk s ALA 7 Ca 0.09 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.23 3dkk s ALA 7 Cb -0.10 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3dkk s ALA 7 CO -0.00 -0.20 0.24 0.95 0.00 0.00 0.00 175.76 176.75 3dkk s THR 8 N 1.07 2.86 0.54 0.00 -4.23 0.32 -4.92 115.64 111.27 3dkk s THR 8 Ca 0.07 -1.54 0.25 0.00 -1.18 0.00 0.00 61.69 59.29 3dkk s THR 8 Cb -0.14 -3.02 0.38 0.00 1.34 0.00 0.00 72.50 71.06 3dkk s THR 8 CO 0.04 -0.09 2.01 0.11 -0.54 0.00 0.00 174.62 176.15 3dkk h LYS 9 N 1.32 0.00 0.00 3.99 1.79 -1.94 -1.17 116.57 120.56 3dkk h LYS 9 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3dkk h LYS 9 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3dkk h LYS 9 CO 0.62 0.00 -0.97 0.09 -1.08 0.00 0.00 179.45 178.11 3dkk n ASN 10 N -4.31 0.96 0.00 0.86 3.02 -1.26 -5.01 115.26 109.52 3dkk n ASN 10 Ca 0.08 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3dkk n ASN 10 Cb 0.54 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 3dkk n ASN 10 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dkk n GLY 11 N 1.48 -0.73 3.84 7.41 0.00 -0.44 -0.67 105.19 116.09 3dkk n GLY 11 Ca 0.04 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 3dkk n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dkk s LYS 12 N -1.79 4.05 -0.04 1.61 1.02 -1.26 -0.52 119.74 122.80 3dkk s LYS 12 Ca 0.00 0.82 -0.02 0.00 0.02 0.00 0.00 55.97 56.79 3dkk s LYS 12 Cb 0.00 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3dkk s LYS 12 CO 0.00 0.04 0.09 0.14 -0.92 0.00 0.00 175.35 174.70 3dkk s VAL 13 N -2.14 -0.03 -0.18 3.17 -7.23 -0.64 -0.99 120.40 112.36 3dkk s VAL 13 Ca 0.57 0.11 -0.08 0.00 -1.81 0.00 0.00 61.98 60.77 3dkk s VAL 13 Cb -0.10 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 3dkk s VAL 13 CO 0.19 0.04 0.08 -0.60 -0.31 0.00 0.00 175.10 174.49 3dkk s ARG 14 N 0.64 3.94 0.00 4.82 3.52 0.23 -1.92 118.95 130.18 3dkk s ARG 14 Ca -0.05 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 3dkk s ARG 14 Cb -0.07 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3dkk s ARG 14 CO -0.03 0.33 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 3dkk n GLY 15 N 3.37 1.78 3.64 8.12 0.00 -0.86 -1.15 105.19 120.10 3dkk n GLY 15 Ca -0.17 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 43.93 3dkk n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dkk s MET 16 N 3.46 0.56 0.14 1.61 1.75 -1.07 -4.80 119.30 120.96 3dkk s MET 16 Ca 0.00 0.97 -0.11 0.00 -1.25 0.00 0.00 55.69 55.30 3dkk s MET 16 Cb 0.00 0.11 -0.06 0.00 2.84 0.00 0.00 34.83 37.72 3dkk s MET 16 CO 0.00 -0.12 0.48 -0.65 -0.65 0.00 0.00 175.02 174.09 3dkk s GLN 17 N 1.50 3.84 -0.02 4.11 -1.52 -1.26 -1.29 119.66 125.02 3dkk s GLN 17 Ca -0.10 0.29 0.02 0.00 -1.95 0.00 0.00 55.36 53.62 3dkk s GLN 17 Cb -0.04 -2.88 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 3dkk s GLN 17 CO -0.18 0.47 -0.07 -0.51 -0.25 0.00 0.00 175.29 174.75 3dkk s LEU 18 N -2.19 1.84 -0.18 2.90 1.43 0.12 -4.95 118.68 117.65 3dkk s LEU 18 Ca 0.38 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 3dkk s LEU 18 Cb -0.14 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 3dkk s LEU 18 CO 0.20 0.06 0.66 -0.89 0.23 0.00 0.00 176.35 176.61 3dkk s THR 19 N 0.11 5.00 -0.09 5.49 2.01 -1.26 -1.14 115.64 125.76 3dkk s THR 19 Ca -0.01 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 3dkk s THR 19 Cb -0.06 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.50 3dkk s THR 19 CO -0.00 0.11 0.02 -0.69 -0.69 0.00 0.00 174.62 173.36 3dkk s VAL 20 N 1.86 0.34 -1.11 3.82 1.01 -0.86 -4.92 120.40 120.54 3dkk s VAL 20 Ca 0.31 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 3dkk s VAL 20 Cb -0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 3dkk s VAL 20 CO 0.11 0.15 0.78 0.49 0.00 0.00 0.00 175.10 176.63 3dkk n PHE 21 N 5.15 -1.91 -1.66 5.22 0.99 -1.26 -0.81 117.46 123.17 3dkk n PHE 21 Ca -0.07 0.46 -0.15 0.00 -0.00 0.00 0.00 57.45 57.68 3dkk n PHE 21 Cb 0.49 -3.38 -0.05 0.00 -1.00 0.00 0.00 39.48 35.55 3dkk n PHE 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dkk n GLY 22 N -1.71 1.02 0.00 1.37 0.00 -1.26 -4.90 105.19 99.71 3dkk n GLY 22 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3dkk n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkk n GLY 23 N -0.42 5.28 2.85 -0.02 0.00 0.01 -5.16 105.19 107.74 3dkk n GLY 23 Ca -0.16 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 3dkk n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dkk s THR 24 N -0.92 0.04 0.03 2.61 2.01 -1.26 -2.02 115.64 116.13 3dkk s THR 24 Ca 0.00 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.13 3dkk s THR 24 Cb 0.00 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 3dkk s THR 24 CO 0.00 0.05 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.02 3dkk s VAL 25 N 0.34 2.11 -0.13 3.82 1.01 -0.29 -2.25 120.40 125.01 3dkk s VAL 25 Ca -0.03 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 3dkk s VAL 25 Cb -0.05 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3dkk s VAL 25 CO -0.01 0.41 0.23 -0.89 0.00 0.00 0.00 175.10 174.84 3dkk s THR 26 N -0.76 5.35 -0.08 3.92 2.01 -0.48 0.14 115.64 125.73 3dkk s THR 26 Ca 0.11 0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.56 3dkk s THR 26 Cb -0.10 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3dkk s THR 26 CO 0.01 0.51 -0.21 0.00 -0.69 0.00 0.00 174.62 174.24 3dkk s ALA 27 N -0.33 1.92 -0.49 7.40 0.00 -0.41 -0.46 121.76 129.39 3dkk s ALA 27 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3dkk s ALA 27 Cb -0.13 -0.71 0.13 0.00 0.00 0.00 0.00 23.12 22.41 3dkk s ALA 27 CO 0.04 0.27 0.26 -0.06 0.00 0.00 0.00 175.76 176.28 3dkk s PHE 28 N 0.30 3.47 -0.23 0.00 0.40 0.14 -2.60 117.98 119.46 3dkk s PHE 28 Ca -0.14 -2.80 -0.16 0.00 -0.60 0.00 0.00 56.93 53.23 3dkk s PHE 28 Cb -0.16 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 3dkk s PHE 28 CO 0.06 -0.87 0.40 -0.51 0.70 0.00 0.00 175.22 175.00 3dkk s LEU 29 N 0.38 4.10 0.00 -0.37 1.43 -0.30 -1.20 118.68 122.73 3dkk s LEU 29 Ca 0.13 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3dkk s LEU 29 Cb -0.22 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3dkk s LEU 29 CO -0.04 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3dkk n GLY 30 N 4.26 0.89 3.71 -3.19 0.00 -0.88 -2.81 105.19 107.18 3dkk n GLY 30 Ca -0.08 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3dkk n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkk s ILE 31 N -2.19 5.07 0.47 -0.61 1.01 0.96 -4.78 121.20 121.14 3dkk s ILE 31 Ca 0.00 1.32 -0.22 0.00 0.00 0.00 0.00 60.65 61.75 3dkk s ILE 31 Cb 0.00 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 3dkk s ILE 31 CO 0.00 0.25 1.11 -2.16 0.00 0.00 0.00 174.94 174.13 3dkk s PRO 32 N 0.91 3.76 0.00 2.79 0.04 -1.26 -0.07 135.00 141.17 3dkk s PRO 32 Ca 0.34 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3dkk s PRO 32 Cb -0.17 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3dkk s PRO 32 CO 0.15 -0.51 0.09 2.48 0.04 0.00 0.00 177.00 179.26 3dkk n TYR 33 N -0.69 0.00 -3.87 0.56 4.11 -0.84 -4.86 117.16 111.58 3dkk n TYR 33 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.89 3dkk n TYR 33 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.78 3dkk n TYR 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3dkk s ALA 34 N -0.36 -0.39 0.21 -3.48 0.00 -1.25 -4.63 121.76 111.86 3dkk s ALA 34 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 3dkk s ALA 34 Cb 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 23.12 23.85 3dkk s ALA 34 CO 0.00 -0.71 1.65 -0.65 0.00 0.00 0.00 175.76 176.05 3dkk s GLN 35 N -3.93 4.16 0.20 0.00 -1.52 -0.47 -4.87 119.66 113.23 3dkk s GLN 35 Ca 0.13 2.52 -0.33 0.00 -1.95 0.00 0.00 55.36 55.74 3dkk s GLN 35 Cb 0.02 -3.09 -0.14 0.00 -0.22 0.00 0.00 33.01 29.58 3dkk s GLN 35 CO -0.01 -0.68 1.44 -2.30 -0.25 0.00 0.00 175.29 173.49 3dkk n PRO 36 N 3.62 1.94 -2.03 2.91 -0.02 -1.26 -4.52 135.00 135.64 3dkk n PRO 36 Ca 0.14 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 3dkk n PRO 36 Cb 0.37 -2.38 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3dkk n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dkk n PRO 37 N 2.51 3.71 -4.18 0.52 -0.04 -1.26 -4.93 135.00 131.33 3dkk n PRO 37 Ca 0.14 -3.19 -0.24 0.00 -0.04 0.00 0.00 63.50 60.17 3dkk n PRO 37 Cb 0.29 -2.91 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 3dkk n PRO 37 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dkk s LEU 38 N -0.12 3.51 0.00 1.53 1.43 -1.26 -3.59 118.68 120.18 3dkk s LEU 38 Ca 0.48 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3dkk s LEU 38 Cb 0.13 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3dkk s LEU 38 CO -0.04 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3dkk n GLY 39 N -0.67 1.79 0.27 -3.19 0.00 -1.26 -1.73 105.19 100.40 3dkk n GLY 39 Ca -0.08 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.26 3dkk n GLY 39 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dkk h ARG 40 N 0.00 0.00 -0.00 1.61 2.43 -1.93 -3.11 114.38 113.37 3dkk h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dkk h ARG 40 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3dkk h ARG 40 CO 0.00 0.02 -0.44 1.28 -1.51 0.00 0.00 179.97 179.32 3dkk n LEU 41 N -3.12 0.89 -4.72 3.80 4.77 -0.70 -4.84 117.00 113.08 3dkk n LEU 41 Ca 0.01 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 3dkk n LEU 41 Cb 0.34 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3dkk n LEU 41 CO 0.28 0.19 1.29 -1.14 -1.33 0.00 0.00 177.39 176.68 3dkk n ARG 42 N -1.02 2.65 -0.96 3.23 0.63 -1.18 -0.90 116.66 119.12 3dkk n ARG 42 Ca 0.09 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.97 3dkk n ARG 42 Cb 0.35 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.50 3dkk n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3dkk n PHE 43 N 3.21 0.00 -3.97 -0.14 3.72 -1.26 -4.96 117.46 114.06 3dkk n PHE 43 Ca 0.13 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.26 3dkk n PHE 43 Cb 0.35 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 3dkk n PHE 43 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3dkk s LYS 44 N -0.09 3.34 0.32 -1.08 1.02 -0.08 -4.03 119.74 119.13 3dkk s LYS 44 Ca 0.00 -0.62 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 3dkk s LYS 44 Cb 0.00 -2.92 -0.15 0.00 -0.52 0.00 0.00 37.83 34.24 3dkk s LYS 44 CO 0.00 0.53 0.56 1.63 -0.92 0.00 0.00 175.35 177.15 3dkk n LYS 45 N -0.35 0.45 -1.92 1.68 5.02 -1.26 -4.89 118.16 116.90 3dkk n LYS 45 Ca -0.07 0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 3dkk n LYS 45 Cb 0.54 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 34.22 3dkk n LYS 45 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dkk s PRO 46 N -1.30 3.73 0.19 1.97 0.04 -1.26 -5.02 135.00 133.35 3dkk s PRO 46 Ca 0.62 2.26 0.06 0.00 0.04 0.00 0.00 61.00 63.98 3dkk s PRO 46 Cb -0.73 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3dkk s PRO 46 CO 0.59 -0.72 0.11 -0.65 0.04 0.00 0.00 177.00 176.36 3dkk s GLN 47 N -2.44 2.76 0.72 4.56 -1.52 -1.26 -5.00 119.66 117.48 3dkk s GLN 47 Ca 0.61 -0.98 -0.16 0.00 -1.95 0.00 0.00 55.36 52.88 3dkk s GLN 47 Cb -0.40 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 3dkk s GLN 47 CO 0.51 0.46 0.91 -1.13 -0.25 0.00 0.00 175.29 175.80 3dkk n SER 48 N -0.46 0.28 -4.72 5.90 3.41 -1.26 -1.37 113.62 115.40 3dkk n SER 48 Ca -0.08 0.66 -0.39 0.00 -0.26 0.00 0.00 58.87 58.79 3dkk n SER 48 Cb 0.56 -1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 3dkk n SER 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dkk s LEU 49 N -2.76 4.31 0.17 1.04 2.96 -1.26 -3.94 118.68 119.20 3dkk s LEU 49 Ca 0.72 1.12 -0.14 0.00 -0.22 0.00 0.00 54.13 55.61 3dkk s LEU 49 Cb -0.35 -3.01 0.12 0.00 0.50 0.00 0.00 46.19 43.46 3dkk s LEU 49 CO 0.51 -0.09 1.74 0.71 -1.32 0.00 0.00 176.35 177.91 3dkk h THR 50 N 4.73 0.84 0.00 3.68 1.35 -1.95 -3.49 112.91 118.08 3dkk h THR 50 Ca -0.41 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3dkk h THR 50 Cb 1.19 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3dkk h THR 50 CO 0.75 0.05 0.00 2.29 -0.25 0.00 0.00 175.52 178.37 3dkk n LYS 51 N -5.03 0.00 -4.21 4.72 2.85 -1.26 -5.11 118.16 110.11 3dkk n LYS 51 Ca 0.03 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.12 3dkk n LYS 51 Cb 0.17 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.43 3dkk n LYS 51 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 177.40 179.02 3dkk s TRP 52 N -1.03 0.94 0.63 5.58 -2.14 0.16 -5.04 118.94 118.05 3dkk s TRP 52 Ca 0.00 -0.37 -0.02 0.00 2.66 0.00 0.00 56.10 58.37 3dkk s TRP 52 Cb 0.00 -0.56 0.06 0.00 -3.10 0.00 0.00 33.47 29.87 3dkk s TRP 52 CO 0.00 -0.00 0.89 -1.54 -2.66 0.00 0.00 176.95 173.64 3dkk s SER 53 N -1.18 4.95 0.42 -2.66 1.04 -1.26 -4.30 113.70 110.72 3dkk s SER 53 Ca -0.02 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3dkk s SER 53 Cb -0.08 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.24 3dkk s SER 53 CO 0.01 -1.42 0.00 0.47 0.98 0.00 0.00 173.24 173.28 3dkk n ASP 54 N -2.62 -6.03 -4.61 7.02 8.00 -1.26 -4.83 116.55 112.21 3dkk n ASP 54 Ca 0.09 0.95 -0.40 0.00 0.71 0.00 0.00 54.79 56.13 3dkk n ASP 54 Cb 0.60 -3.57 -0.07 0.00 -0.02 0.00 0.00 41.12 38.06 3dkk n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dkk s ILE 55 N -3.53 5.01 -0.06 0.53 1.01 -1.26 -4.27 121.20 118.62 3dkk s ILE 55 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 3dkk s ILE 55 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3dkk s ILE 55 CO 0.00 0.00 1.15 0.86 0.00 0.00 0.00 174.94 176.95 3dkk s TRP 56 N 2.45 3.29 -0.28 3.97 -0.11 -0.16 -4.88 118.94 123.21 3dkk s TRP 56 Ca 0.24 1.32 -0.25 0.00 1.22 0.00 0.00 56.10 58.62 3dkk s TRP 56 Cb -0.15 -3.36 0.00 0.00 -1.50 0.00 0.00 33.47 28.46 3dkk s TRP 56 CO 0.10 -1.02 0.88 -0.80 -4.62 0.00 0.00 176.95 171.48 3dkk s ASN 57 N 1.36 6.81 -0.85 5.86 0.01 -1.26 -0.60 114.94 126.26 3dkk s ASN 57 Ca 0.54 0.92 0.01 0.00 -0.71 0.00 0.00 52.86 53.62 3dkk s ASN 57 Cb -0.23 -2.45 0.29 0.00 0.41 0.00 0.00 41.25 39.26 3dkk s ASN 57 CO 0.21 -0.63 1.17 0.00 -1.51 0.00 0.00 177.10 176.33 3dkk n ALA 58 N 6.27 4.76 -0.06 0.60 0.00 -0.30 -4.72 120.51 127.06 3dkk n ALA 58 Ca 0.07 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.73 3dkk n ALA 58 Cb 0.48 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3dkk n ALA 58 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dkk n THR 59 N 0.89 0.00 -3.81 0.00 -2.24 -1.12 -1.14 114.28 106.85 3dkk n THR 59 Ca 0.30 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 3dkk n THR 59 Cb 0.36 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 3dkk n THR 59 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3dkk s LYS 60 N -0.15 0.57 0.57 -0.78 -2.85 -1.21 -4.89 119.74 111.00 3dkk s LYS 60 Ca 0.00 -0.25 -0.18 0.00 -1.00 0.00 0.00 55.97 54.54 3dkk s LYS 60 Cb 0.00 0.25 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 3dkk s LYS 60 CO 0.00 -0.15 0.52 0.66 0.10 0.00 0.00 175.35 176.49 3dkk n TYR 61 N 1.44 -0.69 -2.67 1.78 4.01 -1.26 -3.80 117.16 115.98 3dkk n TYR 61 Ca -0.22 0.44 -0.05 0.00 -0.16 0.00 0.00 57.90 57.92 3dkk n TYR 61 Cb 0.56 -1.95 0.02 0.00 -0.31 0.00 0.00 39.34 37.66 3dkk n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dkk n ALA 62 N -1.69 0.17 -1.72 -0.72 0.00 -1.26 -4.88 120.51 110.40 3dkk n ALA 62 Ca 0.12 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 3dkk n ALA 62 Cb 0.47 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 3dkk n ALA 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dkk n ASN 63 N -2.91 3.45 -4.81 0.00 3.02 -1.26 -4.70 115.26 108.04 3dkk n ASN 63 Ca 0.04 1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 55.41 3dkk n ASN 63 Cb 0.14 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 3dkk n ASN 63 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3dkk s SER 64 N 0.38 6.57 0.64 6.41 0.01 0.39 -4.54 113.70 123.56 3dkk s SER 64 Ca 0.65 1.77 -0.17 0.00 1.31 0.00 0.00 55.95 59.50 3dkk s SER 64 Cb -0.55 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.13 3dkk s SER 64 CO 0.50 -0.62 1.17 0.00 0.41 0.00 0.00 173.24 174.70 3dkk s GLN 67 N -1.76 0.46 0.70 0.00 -2.07 -1.26 -4.67 119.66 111.06 3dkk s GLN 67 Ca 0.56 0.12 -0.14 0.00 -1.82 0.00 0.00 55.36 54.08 3dkk s GLN 67 Cb -0.51 0.22 0.02 0.00 -1.09 0.00 0.00 33.01 31.65 3dkk s GLN 67 CO 0.61 -0.14 1.11 -0.80 -1.32 0.00 0.00 175.29 174.75 3dkk s ASN 68 N -1.06 4.81 0.08 12.60 0.01 -1.26 -5.04 114.94 125.07 3dkk s ASN 68 Ca 0.01 1.99 0.06 0.00 -0.71 0.00 0.00 52.86 54.21 3dkk s ASN 68 Cb -0.01 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3dkk s ASN 68 CO -0.01 -1.83 -0.09 -0.63 -1.51 0.00 0.00 177.10 173.03 3dkk s ILE 69 N -2.46 3.46 -0.56 0.60 1.09 -1.26 -4.89 121.20 117.18 3dkk s ILE 69 Ca 0.66 -1.13 -0.28 0.00 -1.10 0.00 0.00 60.65 58.80 3dkk s ILE 69 Cb -0.20 -2.59 0.03 0.00 -1.06 0.00 0.00 42.46 38.64 3dkk s ILE 69 CO 0.46 0.19 1.20 -0.62 -0.10 0.00 0.00 174.94 176.07 3dkk s ASP 70 N -2.00 6.45 -0.03 3.58 3.68 -1.26 -4.84 116.67 122.26 3dkk s ASP 70 Ca 0.20 0.18 0.14 0.00 2.13 0.00 0.00 52.55 55.21 3dkk s ASP 70 Cb -0.11 -2.55 0.43 0.00 -1.45 0.00 0.00 42.92 39.23 3dkk s ASP 70 CO 0.12 -1.47 1.36 0.00 0.13 0.00 0.00 175.17 175.31 3dkk n GLN 71 N 8.37 2.93 -0.17 4.34 6.02 -1.26 -4.62 117.38 133.00 3dkk n GLN 71 Ca 0.09 -2.32 0.01 0.00 -0.01 0.00 0.00 57.00 54.78 3dkk n GLN 71 Cb 0.49 -1.44 0.29 0.00 1.02 0.00 0.00 30.24 30.60 3dkk n GLN 71 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3dkk h SER 72 N 2.58 0.77 -2.09 1.08 0.02 -2.01 -3.35 113.55 110.54 3dkk h SER 72 Ca 0.00 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.36 3dkk h SER 72 Cb 0.92 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 62.87 3dkk h SER 72 CO 0.04 0.56 -0.95 0.49 -1.14 0.00 0.00 176.83 175.84 3dkk n PHE 73 N -4.43 0.81 -1.75 3.45 3.72 -1.26 -5.10 117.46 112.90 3dkk n PHE 73 Ca 0.07 -3.73 -0.42 0.00 -0.05 0.00 0.00 57.45 53.32 3dkk n PHE 73 Cb 0.04 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.19 3dkk n PHE 73 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3dkk n PRO 74 N 1.33 2.60 0.00 -1.08 -0.02 -1.26 -0.74 135.00 135.83 3dkk n PRO 74 Ca 0.24 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 3dkk n PRO 74 Cb 0.49 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3dkk n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkk n GLY 75 N 1.51 1.77 3.61 -1.23 0.00 -1.26 -5.02 105.19 104.57 3dkk n GLY 75 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3dkk n GLY 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dkk s PHE 76 N -2.35 3.25 0.24 1.61 5.36 0.08 -4.96 117.98 121.20 3dkk s PHE 76 Ca 0.00 0.66 -0.07 0.00 -0.96 0.00 0.00 56.93 56.56 3dkk s PHE 76 Cb 0.00 -2.83 0.22 0.00 -0.34 0.00 0.00 43.02 40.07 3dkk s PHE 76 CO 0.00 -0.35 1.86 1.25 -1.46 0.00 0.00 175.22 176.51 3dkk h HIS 77 N 8.04 1.23 -1.04 10.12 -0.00 -1.95 -1.18 115.15 130.36 3dkk h HIS 77 Ca -0.28 -0.03 0.28 0.00 -0.00 0.00 0.00 60.37 60.34 3dkk h HIS 77 Cb 1.13 -0.39 -0.12 0.00 -0.00 0.00 0.00 27.41 28.03 3dkk h HIS 77 CO 0.75 0.85 0.64 0.78 -0.00 0.00 0.00 177.93 180.96 3dkk h GLY 78 N 1.26 1.61 0.00 5.26 0.00 -1.93 0.39 103.07 109.66 3dkk h GLY 78 Ca 0.31 -0.24 -0.39 0.00 0.00 0.00 0.00 47.33 47.01 3dkk h GLY 78 CO -0.05 -0.25 -2.46 -1.14 0.00 0.00 0.00 176.54 172.64 3dkk n SER 79 N -4.79 1.69 0.21 0.19 3.41 -1.15 -4.49 113.62 108.68 3dkk n SER 79 Ca 0.28 -0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.85 3dkk n SER 79 Cb 0.89 -0.19 0.39 0.00 -0.26 0.00 0.00 64.21 65.04 3dkk n SER 79 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3dkk h GLU 80 N 0.00 0.00 -0.01 4.33 5.08 -0.90 -2.30 114.58 120.78 3dkk h GLU 80 Ca -0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3dkk h GLU 80 Cb 1.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 3dkk h GLU 80 CO -0.07 0.29 0.17 0.00 -1.00 0.00 0.00 179.01 178.39 3dkk h MET 81 N 0.00 0.00 -0.00 2.33 -0.00 -1.14 -2.08 114.93 114.04 3dkk h MET 81 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3dkk h MET 81 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.43 3dkk h MET 81 CO 0.04 0.00 -0.63 0.91 -0.00 0.00 0.00 176.91 177.23 3dkk n TRP 82 N -3.03 0.00 -2.57 -0.10 7.02 -0.86 -4.85 117.44 113.05 3dkk n TRP 82 Ca -0.02 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.10 3dkk n TRP 82 Cb 0.23 -0.18 -0.04 0.00 -2.42 0.00 0.00 31.31 28.90 3dkk n TRP 82 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3dkk s ASN 83 N -3.00 6.68 0.24 -0.99 0.01 -0.78 -4.74 114.94 112.37 3dkk s ASN 83 Ca 0.10 1.98 -0.29 0.00 -0.71 0.00 0.00 52.86 53.94 3dkk s ASN 83 Cb 0.17 -2.58 -0.15 0.00 0.41 0.00 0.00 41.25 39.11 3dkk s ASN 83 CO 0.74 -0.54 0.95 -2.65 -1.51 0.00 0.00 177.10 174.09 3dkk n PRO 84 N -0.32 1.04 -0.53 -0.60 -0.02 -1.26 -4.92 135.00 128.38 3dkk n PRO 84 Ca 0.06 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 3dkk n PRO 84 Cb 0.51 -1.69 0.20 0.00 -0.02 0.00 0.00 33.50 32.49 3dkk n PRO 84 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dkk n ASN 85 N 1.53 2.13 -4.03 2.55 6.94 -1.26 -4.99 115.26 118.13 3dkk n ASN 85 Ca 0.12 -3.67 -0.08 0.00 -0.02 0.00 0.00 54.58 50.93 3dkk n ASN 85 Cb 0.29 -0.54 -0.09 0.00 -2.36 0.00 0.00 39.78 37.08 3dkk n ASN 85 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3dkk s THR 86 N -3.15 0.18 0.33 5.53 -4.23 -1.26 -5.07 115.64 107.97 3dkk s THR 86 Ca 0.39 -1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 59.00 3dkk s THR 86 Cb 0.36 -1.56 -0.14 0.00 1.34 0.00 0.00 72.50 72.50 3dkk s THR 86 CO -0.03 -0.81 0.73 0.47 -0.54 0.00 0.00 174.62 174.44 3dkk n ASP 87 N 0.02 -0.08 -4.80 3.99 8.00 -1.26 -4.25 116.55 118.18 3dkk n ASP 87 Ca -0.13 1.05 -0.36 0.00 0.71 0.00 0.00 54.79 56.06 3dkk n ASP 87 Cb 0.62 -1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.50 3dkk n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dkk s LEU 88 N 1.41 4.33 -0.23 0.64 1.43 -1.26 -0.46 118.68 124.55 3dkk s LEU 88 Ca 0.62 1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 55.07 3dkk s LEU 88 Cb -0.69 -3.82 0.13 0.00 0.03 0.00 0.00 46.19 41.84 3dkk s LEU 88 CO 0.58 -0.03 1.06 -0.55 0.23 0.00 0.00 176.35 177.65 3dkk s SER 89 N -1.65 -0.37 0.13 2.29 0.15 -0.28 -4.89 113.70 109.08 3dkk s SER 89 Ca 0.47 0.57 0.15 0.00 0.70 0.00 0.00 55.95 57.84 3dkk s SER 89 Cb -0.17 0.53 0.69 0.00 -1.71 0.00 0.00 66.02 65.36 3dkk s SER 89 CO 0.22 -0.22 1.47 -0.62 1.20 0.00 0.00 173.24 175.29 3dkk n GLU 90 N 1.43 0.08 -3.40 5.44 1.02 -1.26 -3.17 120.64 120.78 3dkk n GLU 90 Ca -0.11 0.42 -0.45 0.00 -0.02 0.00 0.00 57.16 57.01 3dkk n GLU 90 Cb 0.57 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3dkk n GLU 90 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dkk s ASP 91 N -3.54 6.64 0.00 1.62 2.15 -1.26 -4.22 116.67 118.06 3dkk s ASP 91 Ca 0.03 -2.98 0.00 0.00 0.43 0.00 0.00 52.55 50.03 3dkk s ASP 91 Cb 0.07 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3dkk s ASP 91 CO 0.24 -0.46 0.16 0.00 -0.17 0.00 0.00 175.17 174.93 3dkk n LEU 93 N -0.01 4.50 -4.22 0.00 4.77 -1.26 -4.54 117.00 116.24 3dkk n LEU 93 Ca 0.00 -3.66 -0.13 0.00 -0.03 0.00 0.00 56.01 52.19 3dkk n LEU 93 Cb 0.24 -1.71 -0.10 0.00 -2.33 0.00 0.00 43.42 39.52 3dkk n LEU 93 CO 0.00 -0.40 -0.36 -0.31 -1.33 0.00 0.00 177.39 174.99 3dkk s TYR 94 N 6.26 1.10 0.24 -1.77 1.51 -1.26 -1.99 117.35 121.44 3dkk s TYR 94 Ca 0.58 -0.94 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3dkk s TYR 94 Cb 0.04 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 3dkk s TYR 94 CO 0.08 -0.15 0.22 -0.48 -1.11 0.00 0.00 175.55 174.12 3dkk s LEU 95 N -3.13 1.14 0.07 -1.29 0.05 0.90 -1.70 118.68 114.73 3dkk s LEU 95 Ca 0.19 -1.40 0.06 0.00 0.05 0.00 0.00 54.13 53.02 3dkk s LEU 95 Cb 0.05 0.66 -0.03 0.00 -2.05 0.00 0.00 46.19 44.82 3dkk s LEU 95 CO 0.00 -0.95 -0.17 0.20 -0.55 0.00 0.00 176.35 174.89 3dkk s ASN 96 N -3.19 1.98 -0.05 1.48 0.01 0.09 -0.03 114.94 115.23 3dkk s ASN 96 Ca 0.37 -0.58 -0.01 0.00 -0.71 0.00 0.00 52.86 51.93 3dkk s ASN 96 Cb 0.05 -0.11 0.03 0.00 0.41 0.00 0.00 41.25 41.63 3dkk s ASN 96 CO 0.15 0.02 0.03 -0.69 -1.51 0.00 0.00 177.10 175.09 3dkk s VAL 97 N -1.06 0.14 -0.12 1.60 1.01 -0.34 -2.10 120.40 119.54 3dkk s VAL 97 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3dkk s VAL 97 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3dkk s VAL 97 CO 0.02 0.21 -0.08 0.26 0.00 0.00 0.00 175.10 175.52 3dkk s TRP 98 N 1.94 2.92 0.13 5.22 0.51 -0.43 0.29 118.94 129.52 3dkk s TRP 98 Ca 0.03 -0.29 0.07 0.00 -2.12 0.00 0.00 56.10 53.79 3dkk s TRP 98 Cb -0.12 -1.83 -0.04 0.00 -0.81 0.00 0.00 33.47 30.67 3dkk s TRP 98 CO -0.04 0.04 -0.16 0.96 -0.51 0.00 0.00 176.95 177.24 3dkk s ILE 99 N -0.06 1.52 0.68 2.03 -4.36 0.39 -2.01 121.20 119.39 3dkk s ILE 99 Ca -0.00 -1.74 -0.11 0.00 -0.26 0.00 0.00 60.65 58.53 3dkk s ILE 99 Cb -0.13 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3dkk s ILE 99 CO 0.03 -0.34 1.06 -2.16 0.24 0.00 0.00 174.94 173.78 3dkk s PRO 100 N -2.58 2.96 -0.11 0.37 0.04 -1.26 -1.39 135.00 133.03 3dkk s PRO 100 Ca 0.10 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.17 3dkk s PRO 100 Cb -0.06 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3dkk s PRO 100 CO 0.04 -1.08 -0.20 0.00 0.04 0.00 0.00 177.00 175.80 3dkk s ALA 101 N -2.96 1.99 0.56 8.56 0.00 -0.96 -3.33 121.76 125.63 3dkk s ALA 101 Ca 0.59 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 3dkk s ALA 101 Cb -0.14 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 3dkk s ALA 101 CO 0.53 0.11 1.14 -1.25 0.00 0.00 0.00 175.76 176.29 3dkk s PRO 102 N 0.63 3.25 0.09 0.00 0.04 -1.26 -4.54 135.00 133.21 3dkk s PRO 102 Ca -0.13 1.63 -0.35 0.00 0.04 0.00 0.00 61.00 62.19 3dkk s PRO 102 Cb -0.16 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.21 3dkk s PRO 102 CO 0.03 -0.94 1.00 1.17 0.04 0.00 0.00 177.00 178.31 3dkk n LYS 103 N -1.43 0.38 -1.88 4.56 4.81 -1.21 -4.91 118.16 118.48 3dkk n LYS 103 Ca 0.12 0.14 -0.29 0.00 -0.87 0.00 0.00 58.31 57.41 3dkk n LYS 103 Cb 0.51 -1.54 0.10 0.00 0.02 0.00 0.00 35.03 34.11 3dkk n LYS 103 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3dkk s PRO 104 N -0.25 1.85 -0.19 1.64 0.04 -1.26 -5.03 135.00 131.80 3dkk s PRO 104 Ca 0.80 0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 3dkk s PRO 104 Cb -1.07 -1.94 -0.21 0.00 0.04 0.00 0.00 34.50 31.32 3dkk s PRO 104 CO 0.55 -1.67 0.13 1.63 0.04 0.00 0.00 177.00 177.67 3dkk n LYS 105 N -3.37 0.67 -2.78 4.56 4.76 -1.26 -4.51 118.16 116.23 3dkk n LYS 105 Ca 0.08 0.33 -0.10 0.00 -2.87 0.00 0.00 58.31 55.75 3dkk n LYS 105 Cb 0.61 -1.66 0.07 0.00 -1.84 0.00 0.00 35.03 32.21 3dkk n LYS 105 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dkk n ASN 106 N -3.79 -2.20 -4.77 4.39 5.15 -1.20 -4.61 115.26 108.23 3dkk n ASN 106 Ca -0.37 -3.52 -0.38 0.00 -0.60 0.00 0.00 54.58 49.70 3dkk n ASN 106 Cb 0.92 1.65 -0.03 0.00 -0.53 0.00 0.00 39.78 41.78 3dkk n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dkk s ALA 107 N 0.15 3.23 0.30 5.20 0.00 -0.31 -4.40 121.76 125.93 3dkk s ALA 107 Ca 0.26 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3dkk s ALA 107 Cb 0.27 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 3dkk s ALA 107 CO -0.11 -0.31 1.32 0.99 0.00 0.00 0.00 175.76 177.65 3dkk s THR 108 N -1.40 2.82 -0.17 0.00 2.01 -1.26 0.50 115.64 118.13 3dkk s THR 108 Ca 0.53 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 63.26 3dkk s THR 108 Cb -0.29 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3dkk s THR 108 CO 0.36 0.17 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 3dkk s VAL 109 N -0.78 3.89 -0.25 3.82 1.01 0.29 -2.32 120.40 126.05 3dkk s VAL 109 Ca 0.51 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 3dkk s VAL 109 Cb -0.39 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3dkk s VAL 109 CO 0.49 0.47 0.16 -0.76 0.00 0.00 0.00 175.10 175.46 3dkk s LEU 110 N 0.64 4.03 -0.21 3.92 1.43 0.03 -0.28 118.68 128.24 3dkk s LEU 110 Ca -0.02 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3dkk s LEU 110 Cb -0.14 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 3dkk s LEU 110 CO 0.02 0.02 -0.08 -0.63 0.23 0.00 0.00 176.35 175.92 3dkk s ILE 111 N 1.34 3.14 -0.08 -0.59 1.01 -0.33 -0.40 121.20 125.29 3dkk s ILE 111 Ca 0.07 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 3dkk s ILE 111 Cb -0.15 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3dkk s ILE 111 CO 0.07 0.45 0.43 0.86 0.00 0.00 0.00 174.94 176.75 3dkk s TRP 112 N 1.34 3.58 -0.24 3.97 -0.11 -0.17 -0.47 118.94 126.84 3dkk s TRP 112 Ca 0.04 0.88 0.02 0.00 1.22 0.00 0.00 56.10 58.26 3dkk s TRP 112 Cb -0.14 -2.43 0.05 0.00 -1.50 0.00 0.00 33.47 29.44 3dkk s TRP 112 CO -0.04 0.34 -0.13 0.42 -4.62 0.00 0.00 176.95 172.92 3dkk s ILE 113 N 0.02 2.19 0.76 5.86 1.01 0.32 -3.93 121.20 127.43 3dkk s ILE 113 Ca 0.24 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 3dkk s ILE 113 Cb -0.15 -2.18 0.05 0.00 0.01 0.00 0.00 42.46 40.19 3dkk s ILE 113 CO 0.10 0.14 1.12 -0.72 0.00 0.00 0.00 174.94 175.58 3dkk s TYR 114 N 1.17 2.36 0.00 3.97 -0.85 -1.26 -3.37 117.35 119.37 3dkk s TYR 114 Ca -0.05 1.60 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 3dkk s TYR 114 Cb -0.18 -3.19 0.00 0.00 0.38 0.00 0.00 41.96 38.97 3dkk s TYR 114 CO -0.07 -2.04 0.00 0.41 -1.52 0.00 0.00 175.55 172.33 3dkk n GLY 115 N -0.56 1.74 0.00 5.49 0.00 -1.08 -2.71 105.19 108.07 3dkk n GLY 115 Ca 0.10 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3dkk n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkk n GLY 116 N 5.00 0.00 2.49 -0.02 0.00 -1.25 -4.32 105.19 107.09 3dkk n GLY 116 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3dkk n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkk n GLY 117 N 0.00 0.62 3.00 -0.02 0.00 -1.26 -0.87 105.19 106.66 3dkk n GLY 117 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3dkk n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dkk n PHE 118 N -2.51 0.00 -0.03 1.61 3.72 -1.26 -4.75 117.46 114.24 3dkk n PHE 118 Ca -0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.34 3dkk n PHE 118 Cb 0.33 -1.52 -0.06 0.00 -0.94 0.00 0.00 39.48 37.29 3dkk n PHE 118 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3dkk n GLN 119 N -0.25 2.13 -4.19 -1.08 1.13 -0.51 -0.44 117.38 114.16 3dkk n GLN 119 Ca 0.00 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 3dkk n GLN 119 Cb 0.32 -1.20 -0.10 0.00 0.11 0.00 0.00 30.24 29.36 3dkk n GLN 119 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3dkk s THR 120 N -2.29 0.12 0.00 5.09 -4.23 -0.05 -3.99 115.64 110.30 3dkk s THR 120 Ca -0.04 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3dkk s THR 120 Cb 0.03 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.56 3dkk s THR 120 CO 0.33 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3dkk n GLY 121 N -0.22 3.67 3.37 3.99 0.00 -1.26 -3.88 105.19 110.87 3dkk n GLY 121 Ca -0.02 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 3dkk n GLY 121 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dkk s THR 122 N -2.45 0.04 -0.87 2.61 -1.32 -1.26 -4.72 115.64 107.67 3dkk s THR 122 Ca 0.00 -0.30 0.19 0.00 -1.21 0.00 0.00 61.69 60.38 3dkk s THR 122 Cb 0.00 -0.94 0.18 0.00 -1.51 0.00 0.00 72.50 70.23 3dkk s THR 122 CO 0.00 -0.16 1.61 -1.54 -2.21 0.00 0.00 174.62 172.32 3dkk n SER 123 N 0.56 0.20 -0.98 8.08 3.41 -1.26 -3.54 113.62 120.08 3dkk n SER 123 Ca -0.19 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.06 3dkk n SER 123 Cb 0.59 -0.58 0.25 0.00 -0.26 0.00 0.00 64.21 64.21 3dkk n SER 123 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dkk n SER 124 N -1.71 2.86 -4.69 4.04 3.41 -1.26 -4.80 113.62 111.46 3dkk n SER 124 Ca 0.04 -1.97 -0.40 0.00 -0.26 0.00 0.00 58.87 56.29 3dkk n SER 124 Cb 0.23 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3dkk n SER 124 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dkk n LEU 125 N 1.07 4.39 0.28 1.04 4.77 -1.23 -4.86 117.00 122.46 3dkk n LEU 125 Ca 0.18 1.01 0.12 0.00 -0.03 0.00 0.00 56.01 57.29 3dkk n LEU 125 Cb 0.47 -1.50 0.79 0.00 -2.33 0.00 0.00 43.42 40.84 3dkk n LEU 125 CO 0.13 -0.89 1.08 -0.74 -1.33 0.00 0.00 177.39 175.64 3dkk h HIS 126 N 1.55 0.00 0.00 -1.77 -0.00 -1.92 -0.96 115.15 112.05 3dkk h HIS 126 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 3dkk h HIS 126 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3dkk h HIS 126 CO 0.45 0.03 0.00 1.33 -0.00 0.00 0.00 177.93 179.74 3dkk n VAL 127 N -4.06 0.00 -1.15 5.26 0.24 -1.26 -3.27 118.33 114.09 3dkk n VAL 127 Ca -0.03 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.29 3dkk n VAL 127 Cb 0.11 -0.50 0.25 0.00 -1.47 0.00 0.00 33.84 32.23 3dkk n VAL 127 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3dkk n TYR 128 N -1.32 1.26 -2.75 6.34 4.01 -0.37 -4.53 117.16 119.80 3dkk n TYR 128 Ca 0.13 -1.18 -0.43 0.00 -0.16 0.00 0.00 57.90 56.27 3dkk n TYR 128 Cb 0.26 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 3dkk n TYR 128 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dkk s ASP 129 N -1.99 6.78 0.00 7.72 2.15 -1.20 -4.90 116.67 125.23 3dkk s ASP 129 Ca 0.45 0.78 0.30 0.00 0.43 0.00 0.00 52.55 54.52 3dkk s ASP 129 Cb 0.38 -2.49 1.54 0.00 -0.30 0.00 0.00 42.92 42.04 3dkk s ASP 129 CO 0.07 -0.85 2.02 0.61 -0.17 0.00 0.00 175.17 176.85 3dkk n GLY 130 N 4.16 -0.57 0.28 2.66 0.00 -1.26 -4.18 105.19 106.28 3dkk n GLY 130 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.84 3dkk n GLY 130 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dkk h LYS 131 N 1.02 0.37 0.23 1.61 2.10 -1.91 -2.60 116.57 117.40 3dkk h LYS 131 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 3dkk h LYS 131 Cb 0.22 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3dkk h LYS 131 CO 0.00 0.31 -0.11 0.74 -2.00 0.00 0.00 179.45 178.39 3dkk h PHE 132 N 0.38 -0.29 -0.84 0.07 0.04 -1.76 -1.36 116.94 113.17 3dkk h PHE 132 Ca 0.10 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 61.07 3dkk h PHE 132 Cb 0.07 0.10 -0.14 0.00 2.20 0.00 0.00 35.95 38.17 3dkk h PHE 132 CO 0.00 -0.09 0.14 -0.07 -0.60 0.00 0.00 178.31 177.69 3dkk h LEU 133 N -0.44 -0.16 -0.13 1.54 3.38 -1.67 0.62 115.31 118.46 3dkk h LEU 133 Ca -0.03 0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3dkk h LEU 133 Cb 0.33 0.31 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3dkk h LEU 133 CO 0.05 -0.17 -0.52 0.00 0.09 0.00 0.00 178.44 177.89 3dkk h ALA 134 N 1.76 0.23 0.55 1.53 0.00 -1.35 0.81 119.26 122.80 3dkk h ALA 134 Ca 0.50 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dkk h ALA 134 Cb 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dkk h ALA 134 CO -0.67 0.43 -0.27 -0.09 0.00 0.00 0.00 179.25 178.64 3dkk h ARG 135 N 0.21 -0.72 0.06 0.00 9.65 -0.73 -1.84 114.38 121.00 3dkk h ARG 135 Ca -0.03 0.05 -0.24 0.00 -1.10 0.00 0.00 59.98 58.66 3dkk h ARG 135 Cb 1.16 0.16 0.02 0.00 -1.39 0.00 0.00 29.97 29.92 3dkk h ARG 135 CO 0.11 -0.48 -0.97 0.28 2.80 0.00 0.00 179.97 181.71 3dkk h VAL 136 N -0.75 1.35 -0.02 0.20 2.07 -0.88 -3.34 116.25 114.88 3dkk h VAL 136 Ca -0.07 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3dkk h VAL 136 Cb 0.58 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3dkk h VAL 136 CO 0.11 0.69 -0.12 -0.62 0.02 0.00 0.00 177.57 177.65 3dkk n GLU 137 N -3.97 1.45 -3.96 1.57 -0.58 0.27 -4.97 120.64 110.46 3dkk n GLU 137 Ca -0.12 -1.22 -0.30 0.00 -0.42 0.00 0.00 57.16 55.10 3dkk n GLU 137 Cb 0.86 -1.29 0.01 0.00 -0.57 0.00 0.00 31.44 30.44 3dkk n GLU 137 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3dkk n ARG 138 N 0.52 -4.69 -4.06 3.49 5.12 -0.69 -4.99 116.66 111.35 3dkk n ARG 138 Ca 0.08 0.53 -0.23 0.00 -1.93 0.00 0.00 57.85 56.30 3dkk n ARG 138 Cb 0.38 -5.26 -0.04 0.00 -1.16 0.00 0.00 32.46 26.38 3dkk n ARG 138 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3dkk s VAL 139 N -3.42 4.69 0.02 1.55 -7.23 -1.25 -4.68 120.40 110.07 3dkk s VAL 139 Ca 0.51 -1.18 -0.23 0.00 -1.81 0.00 0.00 61.98 59.27 3dkk s VAL 139 Cb -0.26 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 3dkk s VAL 139 CO 0.86 -0.26 0.70 -0.63 -0.31 0.00 0.00 175.10 175.45 3dkk s ILE 140 N -1.97 4.82 -0.11 -0.62 1.01 -0.98 -3.96 121.20 119.39 3dkk s ILE 140 Ca 0.33 1.48 0.02 0.00 0.00 0.00 0.00 60.65 62.47 3dkk s ILE 140 Cb -0.09 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3dkk s ILE 140 CO 0.26 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.70 3dkk s VAL 141 N -0.03 2.62 0.10 2.92 1.01 -0.85 -0.79 120.40 125.38 3dkk s VAL 141 Ca 0.36 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3dkk s VAL 141 Cb -0.19 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3dkk s VAL 141 CO 0.20 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.93 3dkk s VAL 142 N 0.20 1.91 0.01 2.92 1.01 0.47 -1.32 120.40 125.60 3dkk s VAL 142 Ca -0.11 -1.55 -0.17 0.00 0.00 0.00 0.00 61.98 60.15 3dkk s VAL 142 Cb -0.16 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.55 3dkk s VAL 142 CO 0.06 0.06 0.37 -0.94 0.00 0.00 0.00 175.10 174.65 3dkk s SER 143 N -1.81 -0.25 0.08 3.32 1.04 -0.89 -1.00 113.70 114.20 3dkk s SER 143 Ca 0.09 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.61 3dkk s SER 143 Cb -0.10 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3dkk s SER 143 CO 0.04 -0.55 -0.07 0.00 0.98 0.00 0.00 173.24 173.64 3dkk s MET 144 N -1.85 0.73 0.01 4.02 0.23 -1.25 -0.74 119.30 120.46 3dkk s MET 144 Ca -0.10 -1.15 -0.11 0.00 -1.03 0.00 0.00 55.69 53.31 3dkk s MET 144 Cb -0.03 -0.23 -0.05 0.00 -1.53 0.00 0.00 34.83 32.99 3dkk s MET 144 CO 0.02 0.00 0.35 -0.80 -2.03 0.00 0.00 175.02 172.56 3dkk s ASN 145 N -2.57 6.66 0.02 -1.18 0.01 -0.69 -4.44 114.94 112.75 3dkk s ASN 145 Ca 0.05 0.79 0.01 0.00 -0.71 0.00 0.00 52.86 52.99 3dkk s ASN 145 Cb 0.00 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 3dkk s ASN 145 CO -0.03 0.28 -0.03 -0.72 -1.51 0.00 0.00 177.10 175.08 3dkk s TYR 146 N -1.21 0.30 0.41 2.20 -0.85 -1.26 -4.40 117.35 112.54 3dkk s TYR 146 Ca 0.26 -0.40 -0.25 0.00 -0.52 0.00 0.00 57.07 56.16 3dkk s TYR 146 Cb -0.15 -0.20 -0.08 0.00 0.38 0.00 0.00 41.96 41.91 3dkk s TYR 146 CO 0.14 -0.12 1.23 1.03 -1.52 0.00 0.00 175.55 176.31 3dkk s ARG 147 N -1.13 3.98 0.30 -3.49 0.52 -1.26 -4.85 118.95 113.02 3dkk s ARG 147 Ca -0.11 1.99 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 3dkk s ARG 147 Cb -0.08 -2.70 -0.06 0.00 0.52 0.00 0.00 34.95 32.63 3dkk s ARG 147 CO -0.01 -0.42 0.04 0.14 0.02 0.00 0.00 175.30 175.07 3dkk s VAL 148 N -1.34 1.14 0.00 3.52 -7.23 -1.26 -4.17 120.40 111.06 3dkk s VAL 148 Ca 0.57 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3dkk s VAL 148 Cb -0.34 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3dkk s VAL 148 CO 0.43 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 3dkk n GLY 149 N -0.62 0.81 0.25 2.32 0.00 0.41 -2.49 105.19 105.88 3dkk n GLY 149 Ca -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 3dkk n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkk h ALA 150 N -0.89 1.14 0.00 4.61 0.00 -1.90 0.14 119.26 122.36 3dkk h ALA 150 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dkk h ALA 150 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dkk h ALA 150 CO 0.00 0.54 -0.01 -0.07 0.00 0.00 0.00 179.25 179.71 3dkk h LEU 151 N 0.50 0.00 0.00 0.00 3.38 -1.95 -1.80 115.31 115.44 3dkk h LEU 151 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3dkk h LEU 151 Cb 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3dkk h LEU 151 CO 0.04 0.01 -2.22 0.61 0.09 0.00 0.00 178.44 176.97 3dkk n GLY 152 N -0.94 -0.94 0.00 0.83 0.00 -0.03 -4.38 105.19 99.73 3dkk n GLY 152 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3dkk n GLY 152 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dkk n PHE 153 N -2.59 0.00 -1.61 1.61 3.72 0.27 -1.36 117.46 117.51 3dkk n PHE 153 Ca -0.25 -0.02 -0.50 0.00 -0.05 0.00 0.00 57.45 56.63 3dkk n PHE 153 Cb 0.98 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.47 3dkk n PHE 153 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3dkk n LEU 154 N -0.02 1.94 -4.00 4.37 7.94 -0.69 -4.36 117.00 122.17 3dkk n LEU 154 Ca 0.00 1.12 -0.19 0.00 -1.11 0.00 0.00 56.01 55.82 3dkk n LEU 154 Cb 0.37 -1.24 -0.15 0.00 0.53 0.00 0.00 43.42 42.93 3dkk n LEU 154 CO 0.00 -0.93 -0.43 0.00 -1.11 0.00 0.00 177.39 174.92 3dkk s ALA 155 N 0.45 0.77 -0.32 1.96 0.00 -1.26 -3.03 121.76 120.33 3dkk s ALA 155 Ca 0.81 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 3dkk s ALA 155 Cb -0.88 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.10 3dkk s ALA 155 CO 0.46 0.15 0.17 -1.17 0.00 0.00 0.00 175.76 175.36 3dkk s LEU 156 N 0.03 0.81 0.11 0.00 2.96 0.50 -4.48 118.68 118.61 3dkk s LEU 156 Ca -0.00 -1.72 -0.36 0.00 -0.22 0.00 0.00 54.13 51.83 3dkk s LEU 156 Cb -0.06 -0.39 -0.16 0.00 0.50 0.00 0.00 46.19 46.08 3dkk s LEU 156 CO 0.00 -0.38 1.38 -2.65 -1.32 0.00 0.00 176.35 173.38 3dkk n PRO 157 N 4.68 1.38 0.00 0.98 -0.02 -1.26 -2.44 135.00 138.32 3dkk n PRO 157 Ca 0.02 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3dkk n PRO 157 Cb 0.40 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3dkk n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkk n GLY 158 N 2.66 2.95 3.48 -1.23 0.00 -1.26 -4.97 105.19 106.82 3dkk n GLY 158 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3dkk n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dkk s ASN 159 N -1.65 6.27 0.00 1.61 3.84 -1.02 -4.95 114.94 119.03 3dkk s ASN 159 Ca 0.00 -0.64 0.10 0.00 0.21 0.00 0.00 52.86 52.53 3dkk s ASN 159 Cb 0.00 -2.31 0.55 0.00 -0.55 0.00 0.00 41.25 38.94 3dkk s ASN 159 CO 0.00 -0.85 1.12 -0.81 -2.79 0.00 0.00 177.10 173.77 3dkk n PRO 160 N 6.26 0.23 0.15 0.43 -0.04 -1.26 -1.30 135.00 139.46 3dkk n PRO 160 Ca -0.04 0.10 -0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3dkk n PRO 160 Cb 0.47 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.63 3dkk n PRO 160 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dkk h GLU 161 N 0.00 0.00 -0.38 0.54 4.39 -1.92 -3.40 114.58 113.82 3dkk h GLU 161 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 3dkk h GLU 161 Cb 0.05 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.53 3dkk h GLU 161 CO 0.00 0.57 -0.54 0.00 -1.16 0.00 0.00 179.01 177.88 3dkk n ALA 162 N -2.42 -1.19 0.12 3.43 0.00 -0.42 -4.08 120.51 115.95 3dkk n ALA 162 Ca -0.01 -1.49 0.02 0.00 0.00 0.00 0.00 53.44 51.96 3dkk n ALA 162 Cb 0.58 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 3dkk n ALA 162 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dkk h PRO 163 N 4.23 0.00 0.00 0.00 0.13 -1.67 0.14 132.00 134.84 3dkk h PRO 163 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3dkk h PRO 163 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3dkk h PRO 163 CO 0.27 0.47 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 3dkk n GLY 164 N 1.26 1.96 2.55 1.56 0.00 -1.17 -4.44 105.19 106.91 3dkk n GLY 164 Ca -0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 3dkk n GLY 164 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dkk n ASN 165 N 0.00 -5.22 -0.28 1.61 3.02 -1.26 -4.88 115.26 108.25 3dkk n ASN 165 Ca 0.00 0.42 -0.06 0.00 -0.03 0.00 0.00 54.58 54.91 3dkk n ASN 165 Cb 0.00 -4.22 0.06 0.00 -0.61 0.00 0.00 39.78 35.01 3dkk n ASN 165 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3dkk h MET 166 N 0.01 1.14 -0.74 3.52 2.86 -1.57 -1.00 114.93 119.15 3dkk h MET 166 Ca -0.35 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.13 3dkk h MET 166 Cb 1.17 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 3dkk h MET 166 CO 0.51 0.92 0.49 0.78 1.06 0.00 0.00 176.91 180.67 3dkk h GLY 167 N 1.10 1.01 1.27 8.32 0.00 -1.44 0.96 103.07 114.30 3dkk h GLY 167 Ca 0.25 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3dkk h GLY 167 CO -0.02 0.29 -0.36 1.41 0.00 0.00 0.00 176.54 177.85 3dkk h LEU 168 N 0.86 0.85 -1.20 3.11 3.38 -1.51 -0.85 115.31 119.94 3dkk h LEU 168 Ca 0.30 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3dkk h LEU 168 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dkk h LEU 168 CO -0.09 1.12 -0.15 -0.26 0.09 0.00 0.00 178.44 179.15 3dkk h PHE 169 N 0.67 0.40 0.27 1.13 -1.00 -0.72 0.31 116.94 117.99 3dkk h PHE 169 Ca 0.06 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3dkk h PHE 169 Cb 0.92 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.35 3dkk h PHE 169 CO 0.05 0.51 -0.27 -0.44 -1.61 0.00 0.00 178.31 176.55 3dkk h ASP 170 N 0.35 -0.73 -0.35 2.17 3.32 -0.25 0.21 116.42 121.14 3dkk h ASP 170 Ca 0.07 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.25 3dkk h ASP 170 Cb 0.47 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 3dkk h ASP 170 CO 0.03 -0.39 -0.07 1.56 -1.72 0.00 0.00 179.24 178.64 3dkk h GLN 171 N -0.58 0.01 -0.92 3.56 4.20 -0.73 -0.61 115.11 120.05 3dkk h GLN 171 Ca -0.01 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3dkk h GLN 171 Cb 0.53 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 3dkk h GLN 171 CO -0.06 0.01 0.61 0.37 -0.67 0.00 0.00 178.83 179.09 3dkk h GLN 172 N 0.02 1.10 -0.03 1.46 4.15 -0.07 -1.50 115.11 120.23 3dkk h GLN 172 Ca 0.17 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.36 3dkk h GLN 172 Cb 0.25 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3dkk h GLN 172 CO -0.34 0.73 -0.71 1.25 -1.93 0.00 0.00 178.83 177.83 3dkk h LEU 173 N 1.13 0.21 -1.05 -2.39 5.85 0.15 -2.02 115.31 117.19 3dkk h LEU 173 Ca 0.38 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3dkk h LEU 173 Cb 0.07 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3dkk h LEU 173 CO -0.12 0.85 0.63 0.00 -0.34 0.00 0.00 178.44 179.45 3dkk h ALA 174 N 1.15 1.31 -0.62 1.25 0.00 -0.36 -1.38 119.26 120.61 3dkk h ALA 174 Ca -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dkk h ALA 174 Cb 1.25 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3dkk h ALA 174 CO 0.11 0.64 0.13 -0.07 0.00 0.00 0.00 179.25 180.05 3dkk h LEU 175 N 1.30 0.93 -0.60 0.00 3.38 -0.92 -1.72 115.31 117.68 3dkk h LEU 175 Ca 0.35 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3dkk h LEU 175 Cb -0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.31 3dkk h LEU 175 CO -0.07 0.92 0.33 1.56 0.09 0.00 0.00 178.44 181.26 3dkk h GLN 176 N 0.94 0.61 -0.58 1.13 4.20 -0.97 0.92 115.11 121.36 3dkk h GLN 176 Ca 0.20 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.91 3dkk h GLN 176 Cb 0.37 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3dkk h GLN 176 CO 0.00 0.40 0.33 2.35 -0.67 0.00 0.00 178.83 181.25 3dkk h TRP 177 N 0.63 0.61 -0.66 2.96 7.01 -0.82 0.27 115.95 125.95 3dkk h TRP 177 Ca 0.26 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.24 3dkk h TRP 177 Cb 0.14 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 3dkk h TRP 177 CO -0.08 0.32 0.23 0.28 -2.79 0.00 0.00 178.44 176.40 3dkk h VAL 178 N 0.64 1.25 0.66 2.65 2.07 -0.99 0.18 116.25 122.70 3dkk h VAL 178 Ca 0.24 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3dkk h VAL 178 Cb 0.09 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3dkk h VAL 178 CO -0.13 0.32 -0.47 1.56 0.02 0.00 0.00 177.57 178.86 3dkk h GLN 179 N 0.94 -1.04 -0.74 1.57 1.08 0.15 -2.08 115.11 114.99 3dkk h GLN 179 Ca 0.21 0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.59 3dkk h GLN 179 Cb 0.26 0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 3dkk h GLN 179 CO -0.01 -0.70 0.48 0.87 -0.95 0.00 0.00 178.83 178.53 3dkk h LYS 180 N -1.08 0.60 0.00 1.46 1.57 -0.54 -3.38 116.57 115.20 3dkk h LYS 180 Ca -0.09 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3dkk h LYS 180 Cb 0.89 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3dkk h LYS 180 CO 0.04 0.40 -1.36 0.09 -0.57 0.00 0.00 179.45 178.05 3dkk n ASN 181 N -4.49 3.20 0.23 0.86 3.02 0.64 -4.75 115.26 113.96 3dkk n ASN 181 Ca 0.12 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.79 3dkk n ASN 181 Cb 0.35 1.35 0.42 0.00 -0.61 0.00 0.00 39.78 41.29 3dkk n ASN 181 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3dkk h ILE 182 N 0.00 0.28 -0.97 2.41 6.09 -1.54 -2.64 117.51 121.14 3dkk h ILE 182 Ca -0.00 -1.01 0.16 0.00 -1.37 0.00 0.00 64.86 62.64 3dkk h ILE 182 Cb 0.38 1.81 -0.09 0.00 0.47 0.00 0.00 36.82 39.39 3dkk h ILE 182 CO 0.00 0.13 0.61 0.00 -3.07 0.00 0.00 178.15 175.82 3dkk h ALA 183 N 1.87 1.75 0.00 0.18 0.00 -1.82 0.70 119.26 121.94 3dkk h ALA 183 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dkk h ALA 183 Cb 0.80 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dkk h ALA 183 CO 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 3dkk h ALA 184 N 1.60 1.04 -0.01 0.00 0.00 -1.78 -0.78 119.26 119.34 3dkk h ALA 184 Ca 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3dkk h ALA 184 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3dkk h ALA 184 CO -0.28 0.04 -0.34 1.19 0.00 0.00 0.00 179.25 179.86 3dkk n PHE 185 N -3.19 0.00 0.00 0.00 3.01 -0.64 -4.88 117.46 111.75 3dkk n PHE 185 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3dkk n PHE 185 Cb 0.24 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3dkk n PHE 185 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dkk n GLY 186 N 1.37 1.18 3.80 1.37 0.00 -0.30 -4.60 105.19 108.02 3dkk n GLY 186 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3dkk n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dkk s GLY 187 N -2.00 1.66 -0.59 -0.02 0.00 0.15 -1.16 107.32 105.36 3dkk s GLY 187 Ca 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 44.72 43.31 3dkk s GLY 187 CO 0.00 -1.27 0.54 0.21 0.00 0.00 0.00 173.10 172.57 3dkk s ASN 188 N -3.24 6.25 0.58 1.64 3.84 0.18 -3.52 114.94 120.67 3dkk s ASN 188 Ca 0.31 -1.96 0.29 0.00 0.21 0.00 0.00 52.86 51.71 3dkk s ASN 188 Cb -0.10 -2.19 1.57 0.00 -0.55 0.00 0.00 41.25 39.98 3dkk s ASN 188 CO 0.24 -0.80 1.87 1.55 -2.79 0.00 0.00 177.10 177.17 3dkk h PRO 189 N 8.66 0.00 -0.00 0.43 0.13 -1.88 0.41 132.00 139.74 3dkk h PRO 189 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3dkk h PRO 189 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3dkk h PRO 189 CO 0.98 0.00 -0.31 1.63 -0.23 0.00 0.00 178.00 180.07 3dkk n LYS 190 N -2.73 0.42 -3.38 0.86 5.02 -1.26 -4.26 118.16 112.83 3dkk n LYS 190 Ca -0.02 -0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 3dkk n LYS 190 Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 3dkk n LYS 190 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dkk n SER 191 N -1.09 2.45 -4.37 4.39 2.88 0.14 -4.80 113.62 113.22 3dkk n SER 191 Ca 0.09 -3.16 -0.34 0.00 -1.33 0.00 0.00 58.87 54.14 3dkk n SER 191 Cb 0.33 -0.66 -0.14 0.00 -0.75 0.00 0.00 64.21 62.99 3dkk n SER 191 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3dkk s VAL 192 N -1.92 3.37 -0.15 2.46 1.01 -1.26 -0.55 120.40 123.37 3dkk s VAL 192 Ca 0.37 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3dkk s VAL 192 Cb 0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3dkk s VAL 192 CO -0.06 0.47 -0.14 -0.89 0.00 0.00 0.00 175.10 174.48 3dkk s THR 193 N 0.88 2.82 0.07 3.92 2.01 0.62 0.44 115.64 126.39 3dkk s THR 193 Ca -0.02 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 3dkk s THR 193 Cb -0.15 -2.19 -0.07 0.00 0.01 0.00 0.00 72.50 70.11 3dkk s THR 193 CO 0.01 0.51 0.60 -0.76 -0.69 0.00 0.00 174.62 174.29 3dkk s LEU 194 N 0.67 4.51 0.02 4.42 1.43 -0.53 -1.19 118.68 128.01 3dkk s LEU 194 Ca -0.07 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 3dkk s LEU 194 Cb -0.16 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 3dkk s LEU 194 CO 0.02 0.23 -0.04 0.72 0.23 0.00 0.00 176.35 177.52 3dkk s PHE 195 N -0.92 0.31 -0.02 0.29 -0.71 0.38 -0.40 117.98 116.92 3dkk s PHE 195 Ca 0.30 -0.47 -0.29 0.00 -1.04 0.00 0.00 56.93 55.44 3dkk s PHE 195 Cb -0.20 -0.21 0.10 0.00 -1.21 0.00 0.00 43.02 41.50 3dkk s PHE 195 CO 0.19 -0.15 0.86 0.20 -1.34 0.00 0.00 175.22 174.98 3dkk s GLY 196 N -1.32 -0.46 -0.11 1.99 0.00 -1.18 -0.52 107.32 105.72 3dkk s GLY 196 Ca -0.13 1.14 0.15 0.00 0.00 0.00 0.00 44.72 45.88 3dkk s GLY 196 CO -0.01 0.47 1.16 -2.21 0.00 0.00 0.00 173.10 172.52 3dkk n GLU 197 N -0.02 0.95 0.00 2.90 0.00 -1.22 -1.19 120.64 122.06 3dkk n GLU 197 Ca -0.11 -2.51 0.00 0.00 0.00 0.00 0.00 57.16 54.55 3dkk n GLU 197 Cb 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.95 3dkk n GLU 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dkk n ALA 199 N -0.72 0.00 -0.16 4.31 0.00 -1.26 -2.63 120.51 120.05 3dkk n ALA 199 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 3dkk n ALA 199 Cb 0.77 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.36 3dkk n ALA 199 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dkk h GLY 200 N 0.00 0.98 0.78 0.00 0.00 -1.68 0.15 103.07 103.29 3dkk h GLY 200 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3dkk h GLY 200 CO 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 176.54 176.95 3dkk h ALA 201 N 1.25 0.25 -0.93 3.60 0.00 -1.62 -1.24 119.26 120.56 3dkk h ALA 201 Ca 0.18 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dkk h ALA 201 Cb 0.36 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3dkk h ALA 201 CO 0.01 0.13 0.61 0.00 0.00 0.00 0.00 179.25 180.00 3dkk h ALA 202 N 0.64 1.43 -0.28 0.00 0.00 -1.71 0.12 119.26 119.45 3dkk h ALA 202 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dkk h ALA 202 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3dkk h ALA 202 CO 0.04 0.46 -0.05 0.77 0.00 0.00 0.00 179.25 180.47 3dkk h SER 203 N 1.14 0.42 -0.49 0.00 0.02 -0.75 -0.85 113.55 113.04 3dkk h SER 203 Ca 0.38 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3dkk h SER 203 Cb 0.08 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3dkk h SER 203 CO -0.13 0.52 -0.05 0.58 -1.14 0.00 0.00 176.83 176.62 3dkk h VAL 204 N 0.43 1.27 0.00 2.27 2.07 0.41 -1.87 116.25 120.82 3dkk h VAL 204 Ca 0.09 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3dkk h VAL 204 Cb 0.36 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3dkk h VAL 204 CO 0.02 0.40 -0.33 0.77 0.02 0.00 0.00 177.57 178.44 3dkk h SER 205 N 0.75 0.00 0.98 0.57 4.64 -0.51 -2.11 113.55 117.87 3dkk h SER 205 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 3dkk h SER 205 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3dkk h SER 205 CO 0.03 0.33 -0.76 -0.07 -0.87 0.00 0.00 176.83 175.50 3dkk h LEU 206 N 0.00 0.00 -1.48 5.97 3.38 -0.56 -2.19 115.31 120.42 3dkk h LEU 206 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dkk h LEU 206 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3dkk h LEU 206 CO 0.04 0.76 -0.20 0.45 0.09 0.00 0.00 178.44 179.58 3dkk h HIS 207 N 0.00 0.00 0.00 1.13 3.86 -0.70 -0.77 115.15 118.68 3dkk h HIS 207 Ca -0.01 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3dkk h HIS 207 Cb 1.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.91 3dkk h HIS 207 CO 0.00 0.20 -0.27 -0.07 0.86 0.00 0.00 177.93 178.66 3dkk h LEU 208 N 0.00 0.00 0.00 2.43 3.38 -0.99 -2.95 115.31 117.18 3dkk h LEU 208 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkk h LEU 208 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3dkk h LEU 208 CO 0.03 0.27 -0.73 0.18 0.09 0.00 0.00 178.44 178.27 3dkk n LEU 209 N -3.52 0.72 -4.61 1.67 4.77 -0.52 -0.80 117.00 114.71 3dkk n LEU 209 Ca -0.00 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 3dkk n LEU 209 Cb 0.42 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 3dkk n LEU 209 CO 0.34 0.18 0.37 -0.55 -1.33 0.00 0.00 177.39 176.40 3dkk s SER 210 N -3.03 6.51 0.30 -1.43 0.15 -0.41 -4.88 113.70 110.90 3dkk s SER 210 Ca 0.09 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.30 3dkk s SER 210 Cb 0.17 -2.33 0.76 0.00 -1.71 0.00 0.00 66.02 62.91 3dkk s SER 210 CO 0.78 -0.43 1.70 1.55 1.20 0.00 0.00 173.24 178.04 3dkk h PRO 211 N 8.09 0.41 0.00 5.44 0.13 -1.88 -0.73 132.00 143.47 3dkk h PRO 211 Ca -0.27 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3dkk h PRO 211 Cb 1.12 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3dkk h PRO 211 CO 0.78 0.27 -0.04 0.78 -0.23 0.00 0.00 178.00 179.56 3dkk h GLY 212 N 0.42 0.00 0.61 1.56 0.00 -1.90 -2.41 103.07 101.35 3dkk h GLY 212 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3dkk h GLY 212 CO -0.52 0.00 -0.86 1.44 0.00 0.00 0.00 176.54 176.59 3dkk n SER 213 N -3.64 0.65 -0.33 0.19 7.64 -0.32 -4.60 113.62 113.22 3dkk n SER 213 Ca -0.02 -0.37 0.22 0.00 1.01 0.00 0.00 58.87 59.71 3dkk n SER 213 Cb 0.14 0.67 0.44 0.00 -1.01 0.00 0.00 64.21 64.45 3dkk n SER 213 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3dkk h HIS 214 N 0.00 0.74 -0.22 1.43 6.17 -0.99 -1.22 115.15 121.06 3dkk h HIS 214 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 3dkk h HIS 214 Cb 0.62 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.38 3dkk h HIS 214 CO 0.00 -0.24 0.00 -1.13 0.71 0.00 0.00 177.93 177.27 3dkk n SER 215 N -5.14 3.14 -1.54 3.26 3.41 -1.26 -4.28 113.62 111.21 3dkk n SER 215 Ca 0.30 -2.60 0.10 0.00 -0.26 0.00 0.00 58.87 56.41 3dkk n SER 215 Cb 0.95 -0.37 0.35 0.00 -0.26 0.00 0.00 64.21 64.89 3dkk n SER 215 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dkk n LEU 216 N -0.33 4.62 -3.61 1.04 4.77 -0.46 -5.00 117.00 118.03 3dkk n LEU 216 Ca 0.15 -2.36 -0.06 0.00 -0.03 0.00 0.00 56.01 53.72 3dkk n LEU 216 Cb 0.64 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3dkk n LEU 216 CO 0.09 0.85 0.75 0.72 -1.33 0.00 0.00 177.39 178.47 3dkk s PHE 217 N -1.67 -0.23 -0.14 -1.77 -0.71 -1.26 -4.90 117.98 107.30 3dkk s PHE 217 Ca 0.51 0.04 -0.13 0.00 -1.04 0.00 0.00 56.93 56.31 3dkk s PHE 217 Cb 0.32 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.66 3dkk s PHE 217 CO 0.27 -0.61 -0.25 2.41 -1.34 0.00 0.00 175.22 175.70 3dkk n THR 218 N -0.34 1.23 -4.42 -4.49 -1.04 0.17 -4.94 114.28 100.45 3dkk n THR 218 Ca -0.07 0.22 -0.21 0.00 -2.04 0.00 0.00 64.05 61.95 3dkk n THR 218 Cb 0.61 -2.22 -0.10 0.00 -1.82 0.00 0.00 70.33 66.81 3dkk n THR 218 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3dkk s ARG 219 N -2.42 1.67 -0.04 -2.82 0.52 -1.05 -4.72 118.95 110.09 3dkk s ARG 219 Ca -0.21 -1.96 -0.06 0.00 -0.52 0.00 0.00 55.73 52.99 3dkk s ARG 219 Cb 0.03 -0.53 0.01 0.00 0.52 0.00 0.00 34.95 34.98 3dkk s ARG 219 CO 0.30 -0.34 0.14 0.00 0.02 0.00 0.00 175.30 175.42 3dkk s ALA 220 N -3.42 -0.34 -0.10 2.13 0.00 -1.22 -1.46 121.76 117.36 3dkk s ALA 220 Ca 0.33 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3dkk s ALA 220 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3dkk s ALA 220 CO 0.15 -0.11 -0.21 0.42 0.00 0.00 0.00 175.76 176.01 3dkk s ILE 221 N -0.39 1.87 -0.30 0.00 1.01 0.46 -1.19 121.20 122.66 3dkk s ILE 221 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3dkk s ILE 221 Cb -0.03 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.89 3dkk s ILE 221 CO 0.01 0.52 -0.02 -0.76 0.00 0.00 0.00 174.94 174.68 3dkk s LEU 222 N 0.47 3.99 -0.28 2.97 1.02 0.76 -3.11 118.68 124.49 3dkk s LEU 222 Ca -0.17 -1.76 -0.13 0.00 0.02 0.00 0.00 54.13 52.09 3dkk s LEU 222 Cb -0.17 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 3dkk s LEU 222 CO 0.07 -0.29 0.29 -1.10 0.02 0.00 0.00 176.35 175.33 3dkk s GLN 223 N 1.04 3.92 -1.32 1.70 -0.21 -0.34 -1.76 119.66 122.70 3dkk s GLN 223 Ca 0.02 -0.19 -0.25 0.00 0.02 0.00 0.00 55.36 54.96 3dkk s GLN 223 Cb -0.19 -3.68 0.03 0.00 1.00 0.00 0.00 33.01 30.17 3dkk s GLN 223 CO -0.07 -0.27 0.48 0.43 -2.12 0.00 0.00 175.29 173.74 3dkk n SER 224 N 5.21 -2.60 0.00 5.90 7.64 -0.00 -4.17 113.62 125.59 3dkk n SER 224 Ca -0.11 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.47 3dkk n SER 224 Cb 0.51 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 3dkk n SER 224 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dkk n GLY 225 N -2.24 0.69 3.56 0.23 0.00 -1.26 -4.75 105.19 101.42 3dkk n GLY 225 Ca -0.18 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 3dkk n GLY 225 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dkk s SER 226 N 0.00 -0.39 0.03 1.61 1.04 -1.26 -4.35 113.70 110.38 3dkk s SER 226 Ca 0.00 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.84 3dkk s SER 226 Cb 0.00 0.33 0.21 0.00 0.10 0.00 0.00 66.02 66.66 3dkk s SER 226 CO 0.00 -0.41 1.14 2.22 0.98 0.00 0.00 173.24 177.17 3dkk n PHE 227 N 0.58 0.07 0.00 5.02 -1.74 -1.26 -1.15 117.46 118.99 3dkk n PHE 227 Ca -0.11 0.04 0.08 0.00 -0.56 0.00 0.00 57.45 56.90 3dkk n PHE 227 Cb 0.58 -0.56 0.27 0.00 1.52 0.00 0.00 39.48 41.29 3dkk n PHE 227 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 3dkk n ASN 228 N -1.57 3.53 -4.82 5.98 6.94 -1.26 -4.45 115.26 119.61 3dkk n ASN 228 Ca 0.00 -2.24 -0.33 0.00 -0.02 0.00 0.00 54.58 52.00 3dkk n ASN 228 Cb 0.03 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 36.95 3dkk n ASN 228 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dkk s ALA 229 N -1.62 2.97 0.56 -2.53 0.00 -0.30 -4.85 121.76 116.00 3dkk s ALA 229 Ca 0.39 0.41 0.25 0.00 0.00 0.00 0.00 51.96 53.00 3dkk s ALA 229 Cb 0.23 -3.18 1.61 0.00 0.00 0.00 0.00 23.12 21.78 3dkk s ALA 229 CO 0.21 -0.17 2.20 -1.00 0.00 0.00 0.00 175.76 176.99 3dkk h PRO 230 N 1.44 0.00 -0.01 0.00 0.13 -1.81 -1.72 132.00 130.03 3dkk h PRO 230 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3dkk h PRO 230 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dkk h PRO 230 CO 0.60 0.00 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.68 3dkk n TRP 231 N -4.10 0.00 -0.00 1.56 4.27 -1.26 -4.60 117.44 113.30 3dkk n TRP 231 Ca -0.02 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.56 3dkk n TRP 231 Cb 0.13 -0.03 -0.11 0.00 -1.36 0.00 0.00 31.31 29.94 3dkk n TRP 231 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dkk n ALA 232 N -0.38 1.78 -3.42 -1.67 0.00 -0.65 -4.77 120.51 111.40 3dkk n ALA 232 Ca 0.20 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 3dkk n ALA 232 Cb 0.26 -0.81 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 3dkk n ALA 232 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dkk s VAL 233 N -2.80 1.29 -0.12 0.00 1.01 -1.26 -4.14 120.40 114.38 3dkk s VAL 233 Ca -0.05 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 3dkk s VAL 233 Cb 0.08 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3dkk s VAL 233 CO 0.82 0.39 0.69 -0.89 0.00 0.00 0.00 175.10 176.11 3dkk s THR 234 N 0.61 5.02 0.48 3.92 2.01 -0.30 -4.99 115.64 122.38 3dkk s THR 234 Ca -0.15 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 62.98 3dkk s THR 234 Cb -0.16 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 3dkk s THR 234 CO 0.05 0.18 1.32 -0.94 -0.69 0.00 0.00 174.62 174.53 3dkk s SER 235 N 0.96 5.81 0.36 3.53 1.04 -1.26 -4.46 113.70 119.67 3dkk s SER 235 Ca 0.34 2.67 0.17 0.00 0.48 0.00 0.00 55.95 59.61 3dkk s SER 235 Cb -0.17 -2.63 1.12 0.00 0.10 0.00 0.00 66.02 64.44 3dkk s SER 235 CO 0.14 -1.19 1.68 -0.07 0.98 0.00 0.00 173.24 174.78 3dkk h LEU 236 N 2.02 0.49 0.16 2.42 4.07 -1.96 0.11 115.31 122.62 3dkk h LEU 236 Ca -0.50 0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 3dkk h LEU 236 Cb 1.27 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.11 3dkk h LEU 236 CO 0.60 -0.10 -0.18 0.22 -1.08 0.00 0.00 178.44 177.90 3dkk h TYR 237 N 0.32 -0.51 -0.91 1.13 3.20 -2.00 -2.69 116.97 115.50 3dkk h TYR 237 Ca 0.72 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.71 3dkk h TYR 237 Cb 1.73 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 40.13 3dkk h TYR 237 CO -0.01 -0.24 0.59 0.93 -1.64 0.00 0.00 178.16 177.79 3dkk h GLU 238 N -0.35 0.83 0.00 1.82 5.08 -1.72 -1.62 114.58 118.63 3dkk h GLU 238 Ca -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3dkk h GLU 238 Cb 0.31 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dkk h GLU 238 CO -0.03 0.55 -0.16 0.00 -1.00 0.00 0.00 179.01 178.37 3dkk h ALA 239 N 1.56 1.26 0.10 3.43 0.00 -0.65 -0.92 119.26 124.04 3dkk h ALA 239 Ca 0.44 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.84 3dkk h ALA 239 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3dkk h ALA 239 CO -0.20 0.20 -2.02 0.54 0.00 0.00 0.00 179.25 177.76 3dkk n ARG 240 N -3.65 0.74 -0.30 0.00 1.74 -0.76 -2.42 116.66 112.00 3dkk n ARG 240 Ca -0.02 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.44 3dkk n ARG 240 Cb 0.28 -1.70 0.30 0.00 -1.02 0.00 0.00 32.46 30.32 3dkk n ARG 240 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 3dkk h ASN 241 N 0.06 0.30 -0.09 0.55 -1.24 -1.08 -0.32 115.58 113.76 3dkk h ASN 241 Ca -0.43 0.15 -0.15 0.00 0.71 0.00 0.00 56.30 56.59 3dkk h ASN 241 Cb 2.02 0.14 0.01 0.00 0.73 0.00 0.00 38.32 41.22 3dkk h ASN 241 CO 0.07 -0.01 -0.51 0.03 -1.29 0.00 0.00 177.43 175.72 3dkk h ARG 242 N 0.39 0.51 -0.84 6.67 3.08 -1.27 0.97 114.38 123.88 3dkk h ARG 242 Ca 0.55 -0.42 0.07 0.00 0.07 0.00 0.00 59.98 60.24 3dkk h ARG 242 Cb 1.04 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 3dkk h ARG 242 CO -0.53 1.05 0.51 1.15 -1.07 0.00 0.00 179.97 181.09 3dkk h THR 243 N 0.10 1.01 0.03 2.04 2.02 -1.10 -0.96 112.91 116.06 3dkk h THR 243 Ca -0.04 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3dkk h THR 243 Cb 1.16 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3dkk h THR 243 CO 0.11 0.17 -0.02 -0.07 0.37 0.00 0.00 175.52 176.08 3dkk h LEU 244 N 0.92 -0.04 -2.17 2.58 3.38 -0.95 -1.38 115.31 117.66 3dkk h LEU 244 Ca 0.38 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3dkk h LEU 244 Cb 0.21 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dkk h LEU 244 CO -0.19 0.45 0.27 0.78 0.09 0.00 0.00 178.44 179.84 3dkk h ASN 245 N -0.53 0.00 0.20 -0.43 2.35 -0.72 0.39 115.58 116.83 3dkk h ASN 245 Ca -0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.47 3dkk h ASN 245 Cb 0.49 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.89 3dkk h ASN 245 CO 0.01 0.00 -1.23 0.25 -1.65 0.00 0.00 177.43 174.81 3dkk h LEU 246 N 0.00 0.65 0.39 1.61 5.85 -0.97 -1.17 115.31 121.67 3dkk h LEU 246 Ca 0.11 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 57.89 3dkk h LEU 246 Cb 0.64 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3dkk h LEU 246 CO -0.00 1.59 -0.43 0.00 -0.34 0.00 0.00 178.44 179.25 3dkk h ALA 247 N 0.11 -1.08 -0.84 1.25 0.00 -0.44 -1.57 119.26 116.69 3dkk h ALA 247 Ca -0.22 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.64 3dkk h ALA 247 Cb 1.93 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 20.27 3dkk h ALA 247 CO 0.21 -1.11 -0.48 -0.22 0.00 0.00 0.00 179.25 177.65 3dkk h LYS 248 N -0.83 -0.09 -0.02 0.00 3.64 -0.37 0.19 116.57 119.09 3dkk h LYS 248 Ca -0.05 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3dkk h LYS 248 Cb 0.73 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3dkk h LYS 248 CO -0.07 -0.06 0.04 -0.07 -2.27 0.00 0.00 179.45 177.02 3dkk h LEU 249 N -0.09 0.00 -3.35 5.20 3.38 -0.88 -0.36 115.31 119.22 3dkk h LEU 249 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3dkk h LEU 249 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3dkk h LEU 249 CO -0.86 0.00 0.02 0.35 0.09 0.00 0.00 178.44 178.04 3dkk n THR 250 N -3.44 2.43 -3.86 0.22 -2.24 -0.04 -4.96 114.28 102.39 3dkk n THR 250 Ca -0.02 -1.99 -0.33 0.00 -2.27 0.00 0.00 64.05 59.44 3dkk n THR 250 Cb 0.12 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.08 3dkk n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dkk n GLY 251 N -0.54 -0.69 0.00 3.38 0.00 -0.14 -4.88 105.19 102.30 3dkk n GLY 251 Ca 0.26 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3dkk n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkk n SER 253 N -0.15 2.77 0.00 0.00 7.64 -1.23 -4.55 113.62 118.10 3dkk n SER 253 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3dkk n SER 253 Cb 0.32 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3dkk n SER 253 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dkk n ARG 254 N 2.18 0.98 0.00 1.43 3.00 -1.26 -4.99 116.66 118.00 3dkk n ARG 254 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 3dkk n ARG 254 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 3dkk n ARG 254 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3dkk n GLU 255 N 0.00 0.00 -2.66 5.56 0.00 -1.26 -4.98 120.64 117.30 3dkk n GLU 255 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 3dkk n GLU 255 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 31.44 30.89 3dkk n GLU 255 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3dkk s ASN 256 N -4.51 7.34 0.27 -1.84 3.84 -1.26 -4.95 114.94 113.82 3dkk s ASN 256 Ca 0.00 1.75 0.15 0.00 0.21 0.00 0.00 52.86 54.97 3dkk s ASN 256 Cb 0.00 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.18 3dkk s ASN 256 CO 0.00 -0.27 1.41 -0.33 -2.79 0.00 0.00 177.10 175.12 3dkk h GLU 257 N 6.57 0.00 0.00 0.43 5.08 -2.00 -2.60 114.58 122.06 3dkk h GLU 257 Ca -0.41 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 3dkk h GLU 257 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3dkk h GLU 257 CO 0.75 0.49 -0.27 1.15 -1.00 0.00 0.00 179.01 180.14 3dkk h THR 258 N 0.00 0.69 -0.40 1.13 2.02 -2.00 -2.18 112.91 112.16 3dkk h THR 258 Ca -0.01 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 3dkk h THR 258 Cb 1.40 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3dkk h THR 258 CO 0.06 0.26 -0.13 -0.33 0.37 0.00 0.00 175.52 175.76 3dkk h GLU 259 N 0.00 0.80 -1.01 6.66 4.39 -1.87 -2.13 114.58 121.42 3dkk h GLU 259 Ca -0.00 -0.32 0.06 0.00 0.34 0.00 0.00 59.36 59.44 3dkk h GLU 259 Cb 0.74 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.28 3dkk h GLU 259 CO 0.03 0.94 0.65 0.82 -1.16 0.00 0.00 179.01 180.30 3dkk h ILE 260 N 0.61 1.10 -0.07 3.13 2.04 -1.09 -1.78 117.51 121.45 3dkk h ILE 260 Ca 0.10 -0.41 -0.24 0.00 1.00 0.00 0.00 64.86 65.30 3dkk h ILE 260 Cb 0.66 -0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3dkk h ILE 260 CO 0.05 0.22 -0.92 0.40 0.00 0.00 0.00 178.15 177.90 3dkk h ILE 261 N 1.19 1.29 -0.97 -0.67 1.08 -1.44 -1.41 117.51 116.57 3dkk h ILE 261 Ca 0.43 -2.14 0.07 0.00 -0.39 0.00 0.00 64.86 62.83 3dkk h ILE 261 Cb 0.15 2.20 -0.07 0.00 -3.07 0.00 0.00 36.82 36.03 3dkk h ILE 261 CO -0.17 0.67 0.62 0.50 -0.69 0.00 0.00 178.15 179.08 3dkk h LYS 262 N 0.45 1.09 -0.17 2.37 3.11 -1.08 0.12 116.57 122.46 3dkk h LYS 262 Ca -0.09 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.66 3dkk h LYS 262 Cb 1.56 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 32.53 3dkk h LYS 262 CO 0.18 0.72 0.01 0.00 -2.81 0.00 0.00 179.45 177.55 3dkk h LEU 264 N 0.06 0.00 -0.55 0.00 3.38 -0.58 -0.06 115.31 117.56 3dkk h LEU 264 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dkk h LEU 264 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dkk h LEU 264 CO 0.01 0.15 0.00 0.54 0.09 0.00 0.00 178.44 179.23 3dkk n ARG 265 N -3.99 0.16 0.05 1.13 1.74 0.35 -2.50 116.66 113.59 3dkk n ARG 265 Ca -0.02 0.38 0.11 0.00 -0.77 0.00 0.00 57.85 57.55 3dkk n ARG 265 Cb 0.24 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 3dkk n ARG 265 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3dkk n ASN 266 N -2.09 0.53 -4.73 0.55 3.02 -0.05 -4.89 115.26 107.60 3dkk n ASN 266 Ca 0.02 0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 3dkk n ASN 266 Cb 0.22 1.02 0.08 0.00 -0.61 0.00 0.00 39.78 40.49 3dkk n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dkk s LYS 267 N -3.37 2.34 0.02 3.52 -0.14 -1.04 -4.99 119.74 116.08 3dkk s LYS 267 Ca -0.02 1.87 -0.01 0.00 -1.36 0.00 0.00 55.97 56.46 3dkk s LYS 267 Cb 0.12 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.39 3dkk s LYS 267 CO 0.83 -1.71 0.15 0.16 -0.76 0.00 0.00 175.35 174.02 3dkk s ASP 268 N -1.78 6.06 0.42 2.83 1.47 -1.26 -4.96 116.67 119.46 3dkk s ASP 268 Ca 0.77 0.22 0.27 0.00 1.18 0.00 0.00 52.55 54.99 3dkk s ASP 268 Cb -0.32 -1.82 1.35 0.00 -0.34 0.00 0.00 42.92 41.80 3dkk s ASP 268 CO 0.42 0.23 1.64 -0.65 0.68 0.00 0.00 175.17 177.49 3dkk h PRO 269 N 3.64 0.13 -0.50 2.11 0.11 -1.97 0.57 132.00 136.09 3dkk h PRO 269 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3dkk h PRO 269 Cb 1.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3dkk h PRO 269 CO 0.68 0.09 0.15 1.96 -0.21 0.00 0.00 178.00 180.66 3dkk h GLN 270 N 0.13 0.75 -0.36 1.05 1.08 -1.99 -1.35 115.11 114.43 3dkk h GLN 270 Ca 0.79 -0.13 -0.14 0.00 -1.45 0.00 0.00 58.65 57.72 3dkk h GLN 270 Cb 2.35 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 29.65 3dkk h GLN 270 CO -0.46 0.66 -0.33 0.93 -0.95 0.00 0.00 178.83 178.69 3dkk h GLU 271 N 0.73 0.80 -0.09 1.46 5.08 -0.22 -0.52 114.58 121.83 3dkk h GLU 271 Ca 0.17 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3dkk h GLU 271 Cb 0.23 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dkk h GLU 271 CO -0.01 1.01 -0.00 0.82 -1.00 0.00 0.00 179.01 179.83 3dkk h ILE 272 N 0.67 1.26 -0.82 3.13 2.04 -1.46 -3.07 117.51 119.26 3dkk h ILE 272 Ca 0.07 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3dkk h ILE 272 Cb 0.88 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3dkk h ILE 272 CO 0.08 0.23 0.50 -0.07 0.00 0.00 0.00 178.15 178.89 3dkk h LEU 273 N -0.13 0.98 -1.38 1.44 3.38 -1.14 -2.29 115.31 116.17 3dkk h LEU 273 Ca 0.02 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3dkk h LEU 273 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dkk h LEU 273 CO 0.01 0.76 -0.09 0.25 0.09 0.00 0.00 178.44 179.45 3dkk h LEU 274 N 1.12 0.28 0.00 1.67 5.85 -1.12 -2.71 115.31 120.40 3dkk h LEU 274 Ca 0.29 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3dkk h LEU 274 Cb -0.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3dkk h LEU 274 CO -0.06 0.41 -0.89 0.59 -0.34 0.00 0.00 178.44 178.16 3dkk n ASN 275 N -4.29 0.65 -0.29 1.25 4.13 -0.96 -4.41 115.26 111.34 3dkk n ASN 275 Ca -0.00 -0.35 0.11 0.00 1.68 0.00 0.00 54.58 56.02 3dkk n ASN 275 Cb 0.25 0.69 0.27 0.00 -1.54 0.00 0.00 39.78 39.46 3dkk n ASN 275 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3dkk h GLU 276 N 0.00 0.34 0.00 3.52 5.08 -1.08 -1.83 114.58 120.61 3dkk h GLU 276 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dkk h GLU 276 Cb 0.63 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3dkk h GLU 276 CO 0.00 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 3dkk n ALA 277 N -2.56 1.53 0.69 3.43 0.00 -1.26 -2.66 120.51 119.67 3dkk n ALA 277 Ca 0.20 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3dkk n ALA 277 Cb 0.60 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.75 3dkk n ALA 277 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dkk n PHE 278 N -2.23 0.00 0.48 0.00 3.72 -0.69 -4.34 117.46 114.41 3dkk n PHE 278 Ca 0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 3dkk n PHE 278 Cb 0.19 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.00 3dkk n PHE 278 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3dkk n VAL 279 N 0.87 0.97 -5.11 -4.37 0.24 -1.09 -4.54 118.33 105.30 3dkk n VAL 279 Ca 0.09 0.24 -0.32 0.00 -2.04 0.00 0.00 64.34 62.32 3dkk n VAL 279 Cb 0.41 -1.04 -0.15 0.00 -1.47 0.00 0.00 33.84 31.59 3dkk n VAL 279 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3dkk s VAL 280 N -2.81 2.48 0.14 3.34 1.01 -1.26 -4.61 120.40 118.68 3dkk s VAL 280 Ca 0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3dkk s VAL 280 Cb 0.08 -1.93 -0.13 0.00 0.00 0.00 0.00 36.38 34.40 3dkk s VAL 280 CO 0.20 0.58 1.37 1.55 0.00 0.00 0.00 175.10 178.79 3dkk h PRO 281 N 5.69 0.65 -4.71 2.72 0.13 -1.92 -3.41 132.00 131.15 3dkk h PRO 281 Ca -0.40 -0.52 -0.66 0.00 -0.87 0.00 0.00 66.00 63.56 3dkk h PRO 281 Cb 1.15 0.10 -0.38 0.00 0.13 0.00 0.00 31.00 32.01 3dkk h PRO 281 CO 0.49 1.14 -0.77 1.52 -0.23 0.00 0.00 178.00 180.14 3dkk s TYR 282 N -3.73 3.27 0.26 1.56 -0.85 -1.26 -5.13 117.35 111.47 3dkk s TYR 282 Ca -0.08 -2.45 -0.08 0.00 -0.52 0.00 0.00 57.07 53.94 3dkk s TYR 282 Cb 0.09 -2.19 -0.06 0.00 0.38 0.00 0.00 41.96 40.18 3dkk s TYR 282 CO 0.88 -0.89 0.55 0.20 -1.52 0.00 0.00 175.55 174.77 3dkk s GLY 283 N 1.09 2.09 0.38 5.49 0.00 -1.26 -4.99 107.32 110.12 3dkk s GLY 283 Ca -0.02 -0.40 0.08 0.00 0.00 0.00 0.00 44.72 44.38 3dkk s GLY 283 CO -0.07 -0.27 0.14 -0.51 0.00 0.00 0.00 173.10 172.39 3dkk s THR 284 N -1.95 2.52 -1.54 0.90 -4.23 -1.26 -4.97 115.64 105.11 3dkk s THR 284 Ca 0.46 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3dkk s THR 284 Cb -0.11 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.79 3dkk s THR 284 CO 0.25 -0.08 0.77 -2.65 -0.54 0.00 0.00 174.62 172.38 3dkk n PRO 285 N -1.16 0.02 -0.06 3.99 -0.02 -1.26 -1.15 135.00 135.35 3dkk n PRO 285 Ca -0.02 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 3dkk n PRO 285 Cb 0.63 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.70 3dkk n PRO 285 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dkk n LEU 286 N -1.23 2.10 -4.73 2.45 4.77 -1.26 -5.02 117.00 114.08 3dkk n LEU 286 Ca 0.01 -2.60 -0.42 0.00 -0.03 0.00 0.00 56.01 52.97 3dkk n LEU 286 Cb 0.01 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3dkk n LEU 286 CO 0.01 0.61 1.11 -1.20 -1.33 0.00 0.00 177.39 176.59 3dkk n SER 287 N -1.05 3.43 -3.77 -1.43 7.64 -0.30 -4.93 113.62 113.21 3dkk n SER 287 Ca 0.10 1.18 -0.30 0.00 1.01 0.00 0.00 58.87 60.86 3dkk n SER 287 Cb 0.51 -1.55 -0.13 0.00 -1.01 0.00 0.00 64.21 62.03 3dkk n SER 287 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dkk s VAL 288 N -0.49 1.70 0.14 0.44 1.01 -1.26 -4.98 120.40 116.95 3dkk s VAL 288 Ca 0.60 -2.78 -0.08 0.00 0.00 0.00 0.00 61.98 59.73 3dkk s VAL 288 Cb -0.53 -2.18 -0.13 0.00 0.00 0.00 0.00 36.38 33.53 3dkk s VAL 288 CO 0.55 -0.88 1.36 0.78 0.00 0.00 0.00 175.10 176.91 3dkk h ASN 289 N 6.62 0.74 -3.60 3.32 -0.26 -1.92 -3.39 115.58 117.08 3dkk h ASN 289 Ca -0.02 -0.49 -0.61 0.00 -0.56 0.00 0.00 56.30 54.63 3dkk h ASN 289 Cb 0.91 -0.22 -0.38 0.00 -1.06 0.00 0.00 38.32 37.57 3dkk h ASN 289 CO 0.54 1.26 -0.78 -0.36 -1.06 0.00 0.00 177.43 177.03 3dkk s PHE 290 N -3.69 2.48 0.03 1.19 0.08 -1.26 -4.99 117.98 111.80 3dkk s PHE 290 Ca -0.08 -1.89 0.00 0.00 0.12 0.00 0.00 56.93 55.08 3dkk s PHE 290 Cb 0.09 -1.73 -0.00 0.00 -0.57 0.00 0.00 43.02 40.81 3dkk s PHE 290 CO 0.88 -0.80 0.01 0.41 -0.10 0.00 0.00 175.22 175.62 3dkk n GLY 291 N 4.64 4.02 3.67 4.36 0.00 -1.26 -4.47 105.19 116.16 3dkk n GLY 291 Ca -0.09 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 3dkk n GLY 291 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkk n PRO 292 N -0.06 1.31 -4.35 1.61 -0.02 -1.26 -4.66 135.00 127.58 3dkk n PRO 292 Ca -0.00 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.79 3dkk n PRO 292 Cb 0.04 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.08 3dkk n PRO 292 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3dkk s THR 293 N -1.37 0.85 -0.56 3.45 -4.23 -1.26 -1.15 115.64 111.37 3dkk s THR 293 Ca 0.72 -2.01 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 3dkk s THR 293 Cb -0.44 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 70.88 3dkk s THR 293 CO 0.49 -0.13 1.28 -0.69 -0.54 0.00 0.00 174.62 175.02 3dkk s VAL 294 N -3.54 3.94 -2.45 2.29 1.01 -1.26 -4.64 120.40 115.75 3dkk s VAL 294 Ca 0.34 0.84 0.21 0.00 0.00 0.00 0.00 61.98 63.37 3dkk s VAL 294 Cb 0.07 -4.60 0.12 0.00 0.00 0.00 0.00 36.38 31.98 3dkk s VAL 294 CO 0.12 -1.24 1.13 -0.90 0.00 0.00 0.00 175.10 174.21 3dkk n ASP 295 N 8.81 2.55 0.00 3.32 5.75 -1.14 -4.93 116.55 130.91 3dkk n ASP 295 Ca 0.10 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 3dkk n ASP 295 Cb 0.49 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3dkk n ASP 295 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dkk n GLY 296 N 1.23 0.29 0.85 6.12 0.00 -0.41 -4.66 105.19 108.62 3dkk n GLY 296 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3dkk n GLY 296 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dkk n ASP 297 N -0.41 0.00 -0.08 1.61 -0.08 -1.26 -4.77 116.55 111.56 3dkk n ASP 297 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 3dkk n ASP 297 Cb 0.21 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.62 3dkk n ASP 297 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3dkk h PHE 298 N 0.00 0.53 -3.59 -0.67 3.04 -1.94 -3.40 116.94 110.90 3dkk h PHE 298 Ca 0.00 -0.12 -0.68 0.00 3.98 0.00 0.00 57.97 61.15 3dkk h PHE 298 Cb 0.00 -0.12 -0.30 0.00 2.56 0.00 0.00 35.95 38.08 3dkk h PHE 298 CO 0.00 0.72 -0.70 -0.51 -2.02 0.00 0.00 178.31 175.80 3dkk s LEU 299 N -9.28 3.55 0.00 0.59 1.43 -1.26 -4.52 118.68 109.19 3dkk s LEU 299 Ca -0.14 -0.92 0.28 0.00 -1.03 0.00 0.00 54.13 52.32 3dkk s LEU 299 Cb 0.07 -1.74 1.06 0.00 0.03 0.00 0.00 46.19 45.61 3dkk s LEU 299 CO 0.76 -0.18 1.76 0.35 0.23 0.00 0.00 176.35 179.27 3dkk n THR 300 N 4.72 0.00 -3.76 5.49 -2.24 -1.26 -1.29 114.28 115.94 3dkk n THR 300 Ca -0.15 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 3dkk n THR 300 Cb 0.46 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3dkk n THR 300 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dkk s ASP 301 N -2.58 -0.16 0.28 3.42 3.68 -1.26 -4.75 116.67 115.31 3dkk s ASP 301 Ca 0.25 -0.42 -0.30 0.00 2.13 0.00 0.00 52.55 54.21 3dkk s ASP 301 Cb 0.20 0.47 -0.12 0.00 -1.45 0.00 0.00 42.92 42.02 3dkk s ASP 301 CO 0.51 -0.88 1.63 0.23 0.13 0.00 0.00 175.17 176.78 3dkk n MET 302 N -0.49 2.74 0.19 4.34 2.81 -1.26 -4.84 117.12 120.62 3dkk n MET 302 Ca -0.06 0.98 0.07 0.00 -1.81 0.00 0.00 57.70 56.88 3dkk n MET 302 Cb 0.61 -2.78 0.28 0.00 -0.71 0.00 0.00 33.22 30.62 3dkk n MET 302 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3dkk h PRO 303 N 5.12 0.00 -0.82 0.03 0.13 -1.99 -1.83 132.00 132.64 3dkk h PRO 303 Ca -0.46 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.88 3dkk h PRO 303 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3dkk h PRO 303 CO 0.82 0.33 0.57 0.38 -0.23 0.00 0.00 178.00 179.87 3dkk h ASP 304 N 0.00 0.15 0.06 1.44 2.03 -1.94 -0.96 116.42 117.21 3dkk h ASP 304 Ca -0.00 0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 56.19 3dkk h ASP 304 Cb 1.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 3dkk h ASP 304 CO 0.04 0.06 -0.55 0.40 -1.03 0.00 0.00 179.24 178.16 3dkk h ILE 305 N 0.15 1.54 -0.71 4.15 2.04 -1.69 -2.60 117.51 120.39 3dkk h ILE 305 Ca 0.40 -2.41 0.11 0.00 1.00 0.00 0.00 64.86 63.96 3dkk h ILE 305 Cb 1.35 3.16 -0.08 0.00 -0.74 0.00 0.00 36.82 40.51 3dkk h ILE 305 CO -0.07 0.64 0.32 -0.07 0.00 0.00 0.00 178.15 178.96 3dkk h LEU 306 N -0.69 0.36 -0.11 1.44 3.38 -1.33 -1.51 115.31 116.85 3dkk h LEU 306 Ca -0.11 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dkk h LEU 306 Cb 1.34 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3dkk h LEU 306 CO 0.05 0.19 0.05 0.25 0.09 0.00 0.00 178.44 179.06 3dkk h LEU 307 N 0.52 0.15 -1.54 1.67 5.85 -1.26 0.34 115.31 121.03 3dkk h LEU 307 Ca 0.37 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3dkk h LEU 307 Cb 0.46 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3dkk h LEU 307 CO -0.32 0.26 -0.21 -0.08 -0.34 0.00 0.00 178.44 177.75 3dkk h GLU 308 N 0.03 0.03 -0.28 1.25 4.57 -0.98 -2.46 114.58 116.75 3dkk h GLU 308 Ca 0.04 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3dkk h GLU 308 Cb 0.15 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3dkk h GLU 308 CO -0.00 0.24 0.00 1.28 -1.18 0.00 0.00 179.01 179.35 3dkk n LEU 309 N -4.28 2.94 -0.58 1.64 4.77 -0.63 -4.97 117.00 115.89 3dkk n LEU 309 Ca -0.02 -2.17 -0.05 0.00 -0.03 0.00 0.00 56.01 53.73 3dkk n LEU 309 Cb 0.27 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3dkk n LEU 309 CO 0.37 0.69 -0.07 0.61 -1.33 0.00 0.00 177.39 177.67 3dkk n GLY 310 N 0.19 0.24 3.37 -0.72 0.00 -0.34 -4.97 105.19 102.96 3dkk n GLY 310 Ca 0.12 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 3dkk n GLY 310 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dkk s GLN 311 N -4.02 3.91 0.08 1.61 -1.52 0.11 -4.95 119.66 114.88 3dkk s GLN 311 Ca 0.00 -2.68 -0.26 0.00 -1.95 0.00 0.00 55.36 50.46 3dkk s GLN 311 Cb 0.00 -4.64 0.08 0.00 -0.22 0.00 0.00 33.01 28.24 3dkk s GLN 311 CO 0.00 -1.40 0.86 -0.59 -0.25 0.00 0.00 175.29 173.90 3dkk s PHE 312 N 0.15 -0.30 0.16 0.91 -0.12 -1.26 -4.63 117.98 112.88 3dkk s PHE 312 Ca 0.28 0.09 -0.31 0.00 -0.05 0.00 0.00 56.93 56.94 3dkk s PHE 312 Cb -0.08 0.58 -0.11 0.00 -0.63 0.00 0.00 43.02 42.78 3dkk s PHE 312 CO -0.07 -0.71 1.79 0.21 -0.05 0.00 0.00 175.22 176.39 3dkk s LYS 313 N -3.30 4.13 -0.59 1.99 2.20 0.02 -4.94 119.74 119.25 3dkk s LYS 313 Ca 0.07 2.60 -0.25 0.00 -0.36 0.00 0.00 55.97 58.03 3dkk s LYS 313 Cb -0.01 -3.40 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3dkk s LYS 313 CO -0.06 -0.81 1.04 0.15 -0.36 0.00 0.00 175.35 175.32 3dkk s LYS 314 N 2.15 3.34 0.31 4.03 -0.14 -1.26 -4.96 119.74 123.21 3dkk s LYS 314 Ca 0.79 -0.20 -0.13 0.00 -1.36 0.00 0.00 55.97 55.07 3dkk s LYS 314 Cb -0.47 -4.08 0.05 0.00 -1.68 0.00 0.00 37.83 31.65 3dkk s LYS 314 CO 0.35 -1.64 0.66 -2.37 -0.76 0.00 0.00 175.35 171.58 3dkk n THR 315 N 6.30 0.00 -3.05 2.17 5.66 -1.26 -5.12 114.28 118.98 3dkk n THR 315 Ca 0.03 -0.77 -0.31 0.00 -3.05 0.00 0.00 64.05 59.95 3dkk n THR 315 Cb 0.48 0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 70.00 3dkk n THR 315 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3dkk s GLN 316 N -2.07 3.84 0.07 1.09 1.11 -1.26 -4.56 119.66 117.87 3dkk s GLN 316 Ca 0.13 0.47 0.06 0.00 0.01 0.00 0.00 55.36 56.03 3dkk s GLN 316 Cb -0.04 -2.46 -0.03 0.00 -1.01 0.00 0.00 33.01 29.48 3dkk s GLN 316 CO 0.09 0.09 -0.16 0.96 0.01 0.00 0.00 175.29 176.28 3dkk s ILE 317 N -2.16 1.24 -0.15 1.08 -4.36 -0.83 -3.39 121.20 112.64 3dkk s ILE 317 Ca 0.51 -1.28 0.02 0.00 -0.26 0.00 0.00 60.65 59.64 3dkk s ILE 317 Cb -0.10 -1.16 0.01 0.00 1.25 0.00 0.00 42.46 42.45 3dkk s ILE 317 CO 0.26 -0.13 -0.21 -0.22 0.24 0.00 0.00 174.94 174.88 3dkk s LEU 318 N -1.62 2.17 -0.01 0.37 0.20 -0.34 -1.34 118.68 118.10 3dkk s LEU 318 Ca 0.01 -0.59 0.03 0.00 0.69 0.00 0.00 54.13 54.26 3dkk s LEU 318 Cb -0.09 -1.47 -0.00 0.00 -0.43 0.00 0.00 46.19 44.20 3dkk s LEU 318 CO 0.02 0.07 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.38 3dkk s VAL 319 N 0.87 0.71 0.34 1.68 1.01 -0.04 -0.17 120.40 124.79 3dkk s VAL 319 Ca -0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 3dkk s VAL 319 Cb -0.15 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.67 3dkk s VAL 319 CO -0.03 0.21 0.79 -0.83 0.00 0.00 0.00 175.10 175.24 3dkk s GLY 320 N -0.08 0.21 0.14 4.51 0.00 -0.72 -1.13 107.32 110.24 3dkk s GLY 320 Ca 0.01 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.10 3dkk s GLY 320 CO -0.00 -0.06 0.19 -1.34 0.00 0.00 0.00 173.10 171.89 3dkk s VAL 321 N -2.77 0.09 0.15 1.40 -7.23 -0.95 -0.82 120.40 110.28 3dkk s VAL 321 Ca 0.15 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 3dkk s VAL 321 Cb -0.05 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3dkk s VAL 321 CO 0.09 -0.42 0.22 0.20 -0.31 0.00 0.00 175.10 174.88 3dkk s ASN 322 N -2.98 5.98 0.23 4.85 0.01 -1.26 0.76 114.94 122.54 3dkk s ASN 322 Ca 0.18 0.05 -0.00 0.00 -0.71 0.00 0.00 52.86 52.37 3dkk s ASN 322 Cb 0.05 -1.71 0.26 0.00 0.41 0.00 0.00 41.25 40.26 3dkk s ASN 322 CO -0.01 0.06 1.62 0.50 -1.51 0.00 0.00 177.10 177.76 3dkk h LYS 323 N 2.30 0.53 -2.18 -0.60 3.64 -0.91 -3.21 116.57 116.15 3dkk h LYS 323 Ca -0.48 -0.26 -0.63 0.00 -1.27 0.00 0.00 60.65 58.01 3dkk h LYS 323 Cb 1.20 -0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.62 3dkk h LYS 323 CO 0.66 0.83 -0.33 -0.25 -2.27 0.00 0.00 179.45 178.09 3dkk n ASP 324 N -4.04 5.07 -0.28 4.20 8.00 -0.49 -4.90 116.55 124.11 3dkk n ASP 324 Ca -0.01 -3.70 0.08 0.00 0.71 0.00 0.00 54.79 51.87 3dkk n ASP 324 Cb 0.50 -0.66 0.21 0.00 -0.02 0.00 0.00 41.12 41.15 3dkk n ASP 324 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3dkk h GLU 325 N 3.12 0.16 0.00 -1.24 4.39 -1.70 -3.05 114.58 116.26 3dkk h GLU 325 Ca 0.23 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3dkk h GLU 325 Cb 0.51 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3dkk h GLU 325 CO 0.90 0.10 -0.05 0.41 -1.16 0.00 0.00 179.01 179.21 3dkk n GLY 326 N -1.40 -1.53 0.20 -3.84 0.00 -1.25 -3.97 105.19 93.40 3dkk n GLY 326 Ca 0.17 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3dkk n GLY 326 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dkk h THR 327 N 0.00 1.19 -1.29 2.61 1.35 -1.75 -2.91 112.91 112.11 3dkk h THR 327 Ca 0.00 -0.57 0.41 0.00 -0.55 0.00 0.00 66.41 65.70 3dkk h THR 327 Cb 0.57 0.77 -0.12 0.00 -1.73 0.00 0.00 68.15 67.64 3dkk h THR 327 CO 0.00 0.21 0.84 0.00 -0.25 0.00 0.00 175.52 176.33 3dkk h ALA 328 N 1.03 2.71 0.00 6.62 0.00 -1.81 -0.34 119.26 127.47 3dkk h ALA 328 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3dkk h ALA 328 Cb 0.16 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dkk h ALA 328 CO -0.01 -1.29 -0.57 1.19 0.00 0.00 0.00 179.25 178.57 3dkk n PHE 329 N -4.63 0.53 0.23 0.00 3.01 -1.10 -3.91 117.46 111.59 3dkk n PHE 329 Ca 0.35 0.15 0.11 0.00 1.01 0.00 0.00 57.45 59.08 3dkk n PHE 329 Cb 1.35 -0.64 0.50 0.00 -0.01 0.00 0.00 39.48 40.69 3dkk n PHE 329 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3dkk h LEU 330 N 0.00 0.00 -0.80 4.37 3.38 -1.18 -2.53 115.31 118.54 3dkk h LEU 330 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkk h LEU 330 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dkk h LEU 330 CO 0.00 0.18 0.00 1.33 0.09 0.00 0.00 178.44 180.04 3dkk n VAL 331 N -3.33 0.06 -1.52 1.22 0.24 -1.25 -1.97 118.33 111.77 3dkk n VAL 331 Ca 0.00 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 3dkk n VAL 331 Cb 0.40 0.27 0.09 0.00 -1.47 0.00 0.00 33.84 33.13 3dkk n VAL 331 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3dkk n TYR 332 N -0.01 2.88 0.00 6.34 4.02 -0.95 -4.79 117.16 124.64 3dkk n TYR 332 Ca 0.19 -2.57 0.00 0.00 -0.01 0.00 0.00 57.90 55.51 3dkk n TYR 332 Cb 0.29 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 3dkk n TYR 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dkk n GLY 333 N -0.91 0.30 3.73 2.72 0.00 -1.24 -4.60 105.19 105.20 3dkk n GLY 333 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 3dkk n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkk s ALA 334 N 0.00 3.25 0.25 4.61 0.00 -0.83 -4.99 121.76 124.05 3dkk s ALA 334 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 3dkk s ALA 334 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 3dkk s ALA 334 CO 0.00 -0.07 1.43 -2.14 0.00 0.00 0.00 175.76 174.97 3dkk s PRO 335 N 0.35 4.28 0.00 0.00 0.02 -1.26 -2.45 135.00 135.93 3dkk s PRO 335 Ca 0.46 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3dkk s PRO 335 Cb -0.22 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3dkk s PRO 335 CO 0.27 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 3dkk n GLY 336 N 2.13 0.57 3.79 0.52 0.00 -1.26 -4.89 105.19 106.06 3dkk n GLY 336 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3dkk n GLY 336 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dkk s PHE 337 N -2.34 3.46 -0.07 1.61 0.40 -1.03 -4.60 117.98 115.41 3dkk s PHE 337 Ca 0.00 0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 56.51 3dkk s PHE 337 Cb 0.00 -1.99 0.05 0.00 0.51 0.00 0.00 43.02 41.58 3dkk s PHE 337 CO 0.00 0.53 0.48 0.45 0.70 0.00 0.00 175.22 177.38 3dkk s SER 338 N -0.51 -0.43 0.20 1.36 0.15 -1.26 -4.82 113.70 108.39 3dkk s SER 338 Ca 0.12 0.54 0.25 0.00 0.70 0.00 0.00 55.95 57.56 3dkk s SER 338 Cb -0.12 0.58 0.88 0.00 -1.71 0.00 0.00 66.02 65.65 3dkk s SER 338 CO 0.02 -0.43 1.77 2.29 1.20 0.00 0.00 173.24 178.09 3dkk n LYS 339 N 1.57 0.22 -0.71 5.44 2.85 -1.26 -3.36 118.16 122.91 3dkk n LYS 339 Ca -0.19 0.25 0.08 0.00 -1.05 0.00 0.00 58.31 57.40 3dkk n LYS 339 Cb 0.56 -1.79 0.36 0.00 -0.65 0.00 0.00 35.03 33.51 3dkk n LYS 339 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dkk n ASP 340 N -2.18 4.99 -3.67 -5.58 9.92 -1.26 -4.48 116.55 114.29 3dkk n ASP 340 Ca 0.05 -2.63 -0.06 0.00 -0.53 0.00 0.00 54.79 51.61 3dkk n ASP 340 Cb 0.37 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 3dkk n ASP 340 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3dkk s ASN 341 N -0.81 -0.29 0.00 -2.24 2.20 -1.21 -5.05 114.94 107.54 3dkk s ASN 341 Ca 0.50 -0.29 0.16 0.00 -0.94 0.00 0.00 52.86 52.29 3dkk s ASN 341 Cb 0.35 0.52 0.85 0.00 -2.00 0.00 0.00 41.25 40.97 3dkk s ASN 341 CO 0.20 -0.92 1.46 -0.46 -2.94 0.00 0.00 177.10 174.44 3dkk n ASN 342 N -0.40 0.00 -1.90 3.54 0.23 -1.26 -4.53 115.26 110.94 3dkk n ASN 342 Ca -0.08 -0.05 -0.21 0.00 -0.53 0.00 0.00 54.58 53.72 3dkk n ASN 342 Cb 0.61 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 38.02 3dkk n ASN 342 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3dkk n SER 343 N -1.24 -5.65 -4.56 0.53 7.64 -1.26 -4.87 113.62 104.21 3dkk n SER 343 Ca 0.09 0.30 -0.54 0.00 1.01 0.00 0.00 58.87 59.72 3dkk n SER 343 Cb 0.12 -4.84 -0.07 0.00 -1.01 0.00 0.00 64.21 58.40 3dkk n SER 343 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3dkk n ILE 344 N -3.06 0.25 -4.03 0.44 2.08 -1.26 -4.75 119.36 109.04 3dkk n ILE 344 Ca -0.22 -0.13 -0.23 0.00 0.56 0.00 0.00 62.75 62.72 3dkk n ILE 344 Cb 0.68 -1.38 -0.06 0.00 -0.75 0.00 0.00 39.64 38.13 3dkk n ILE 344 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 3dkk s ILE 345 N 5.32 2.62 0.33 1.39 -4.36 -1.26 -5.01 121.20 120.22 3dkk s ILE 345 Ca 1.04 -1.64 0.07 0.00 -0.26 0.00 0.00 60.65 59.86 3dkk s ILE 345 Cb -1.00 -2.99 -0.02 0.00 1.25 0.00 0.00 42.46 39.71 3dkk s ILE 345 CO 0.58 -0.07 0.40 0.42 0.24 0.00 0.00 174.94 176.51 3dkk s THR 346 N -2.52 3.97 0.28 8.37 -4.23 -1.26 -4.58 115.64 115.67 3dkk s THR 346 Ca 0.41 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3dkk s THR 346 Cb 0.00 -3.36 0.31 0.00 1.34 0.00 0.00 72.50 70.79 3dkk s THR 346 CO 0.23 -0.18 1.64 -0.09 -0.54 0.00 0.00 174.62 175.69 3dkk h ARG 347 N 1.04 0.16 -0.08 3.99 2.43 -1.99 0.29 114.38 120.23 3dkk h ARG 347 Ca -0.46 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 3dkk h ARG 347 Cb 1.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3dkk h ARG 347 CO 0.55 0.11 -0.26 -0.22 -1.51 0.00 0.00 179.97 178.64 3dkk h LYS 348 N 0.17 0.14 -0.09 0.20 1.63 -2.00 -1.74 116.57 114.87 3dkk h LYS 348 Ca 0.51 -0.04 -0.22 0.00 -0.85 0.00 0.00 60.65 60.05 3dkk h LYS 348 Cb 0.99 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.62 3dkk h LYS 348 CO -0.67 0.39 -0.81 0.93 -3.45 0.00 0.00 179.45 175.84 3dkk h GLU 349 N 0.13 0.71 -0.68 1.90 5.08 -1.46 -2.66 114.58 117.61 3dkk h GLU 349 Ca 0.02 -0.64 0.14 0.00 -1.00 0.00 0.00 59.36 57.88 3dkk h GLU 349 Cb 0.53 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.83 3dkk h GLU 349 CO 0.04 1.24 0.12 0.35 -1.00 0.00 0.00 179.01 179.76 3dkk h PHE 350 N 0.40 0.17 -0.02 4.33 3.57 -0.55 1.00 116.94 125.85 3dkk h PHE 350 Ca -0.08 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 3dkk h PHE 350 Cb 1.46 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 3dkk h PHE 350 CO 0.10 -0.10 -0.67 1.96 -2.23 0.00 0.00 178.31 177.37 3dkk h GLN 351 N 0.22 0.10 -0.17 1.11 4.20 -1.30 -1.10 115.11 118.17 3dkk h GLN 351 Ca 0.37 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.80 3dkk h GLN 351 Cb 0.61 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3dkk h GLN 351 CO -0.50 0.73 -0.71 0.93 -0.67 0.00 0.00 178.83 178.62 3dkk h GLU 352 N 0.07 0.72 -0.73 1.46 4.39 -0.95 -2.31 114.58 117.22 3dkk h GLU 352 Ca -0.01 -0.55 0.12 0.00 0.34 0.00 0.00 59.36 59.26 3dkk h GLU 352 Cb 1.19 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.86 3dkk h GLU 352 CO 0.09 1.16 0.33 0.78 -1.16 0.00 0.00 179.01 180.22 3dkk h GLY 353 N 0.77 1.11 1.05 -3.84 0.00 0.18 -1.40 103.07 100.93 3dkk h GLY 353 Ca -0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3dkk h GLY 353 CO 0.14 -0.03 0.01 1.41 0.00 0.00 0.00 176.54 178.08 3dkk h LEU 354 N 0.52 0.96 -1.03 3.11 3.38 -1.03 -0.21 115.31 121.01 3dkk h LEU 354 Ca 0.39 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 58.23 3dkk h LEU 354 Cb 0.51 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 3dkk h LEU 354 CO -0.34 1.02 0.62 0.11 0.09 0.00 0.00 178.44 179.94 3dkk h LYS 355 N 0.87 0.80 0.01 1.13 1.57 -0.74 0.52 116.57 120.72 3dkk h LYS 355 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dkk h LYS 355 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3dkk h LYS 355 CO 0.03 0.53 -0.00 0.82 -0.57 0.00 0.00 179.45 180.25 3dkk h ILE 356 N 0.82 1.36 0.00 1.86 1.08 -0.19 -3.21 117.51 119.24 3dkk h ILE 356 Ca 0.55 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3dkk h ILE 356 Cb 0.78 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 3dkk h ILE 356 CO -0.34 0.28 0.00 -0.26 -0.69 0.00 0.00 178.15 177.14 3dkk h PHE 357 N -0.47 0.00 -2.13 1.37 0.04 -0.83 -3.38 116.94 111.54 3dkk h PHE 357 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 3dkk h PHE 357 Cb 0.47 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.21 3dkk h PHE 357 CO 0.09 0.00 -0.91 1.19 -0.60 0.00 0.00 178.31 178.08 3dkk n PHE 358 N -2.89 1.95 -0.34 -0.55 3.72 0.18 -5.00 117.46 114.53 3dkk n PHE 358 Ca 0.03 -3.89 0.06 0.00 -0.05 0.00 0.00 57.45 53.61 3dkk n PHE 358 Cb 0.44 -0.45 0.15 0.00 -0.94 0.00 0.00 39.48 38.67 3dkk n PHE 358 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3dkk n PRO 359 N 0.32 -0.08 -2.69 -1.08 -0.02 -1.21 -4.36 135.00 125.88 3dkk n PRO 359 Ca 0.27 1.47 0.01 0.00 -2.02 0.00 0.00 63.50 63.24 3dkk n PRO 359 Cb 0.51 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3dkk n PRO 359 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dkk s GLY 360 N -4.25 -1.64 -0.06 -1.23 0.00 -1.26 -4.97 107.32 93.91 3dkk s GLY 360 Ca -0.14 1.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.93 3dkk s GLY 360 CO 0.74 4.41 0.03 -0.62 0.00 0.00 0.00 173.10 177.66 3dkk n VAL 361 N 3.45 -4.05 -0.51 1.40 0.31 -1.26 -5.14 118.33 112.52 3dkk n VAL 361 Ca 0.05 0.74 -0.29 0.00 -0.01 0.00 0.00 64.34 64.83 3dkk n VAL 361 Cb 0.65 -3.69 0.24 0.00 -0.91 0.00 0.00 33.84 30.13 3dkk n VAL 361 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3dkk n SER 362 N 1.70 -2.04 0.14 4.52 3.41 -1.26 -4.82 113.62 115.26 3dkk n SER 362 Ca -0.04 -0.19 -0.01 0.00 -0.26 0.00 0.00 58.87 58.37 3dkk n SER 362 Cb 0.28 -1.16 0.24 0.00 -0.26 0.00 0.00 64.21 63.30 3dkk n SER 362 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3dkk h GLU 363 N -2.59 0.07 0.07 4.33 4.57 -1.99 -2.72 114.58 116.32 3dkk h GLU 363 Ca -0.61 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.29 3dkk h GLU 363 Cb 1.35 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.96 3dkk h GLU 363 CO 0.47 0.55 -0.97 0.35 -1.18 0.00 0.00 179.01 178.23 3dkk h PHE 364 N 0.06 0.84 -0.93 0.92 3.04 -1.99 -1.34 116.94 117.53 3dkk h PHE 364 Ca -0.00 -0.51 0.14 0.00 3.98 0.00 0.00 57.97 61.58 3dkk h PHE 364 Cb 0.90 -0.08 -0.15 0.00 2.56 0.00 0.00 35.95 39.19 3dkk h PHE 364 CO 0.01 1.35 -0.41 0.78 -2.02 0.00 0.00 178.31 178.02 3dkk h GLY 365 N 0.10 -0.07 2.00 2.40 0.00 -1.88 -0.84 103.07 104.77 3dkk h GLY 365 Ca -0.14 0.55 -0.14 0.00 0.00 0.00 0.00 47.33 47.60 3dkk h GLY 365 CO 0.19 -0.17 -0.66 0.50 0.00 0.00 0.00 176.54 176.39 3dkk h LYS 366 N -0.03 0.00 -0.53 4.80 1.57 -1.30 -2.43 116.57 118.66 3dkk h LYS 366 Ca 0.31 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3dkk h LYS 366 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3dkk h LYS 366 CO -0.94 0.66 0.10 0.93 -0.57 0.00 0.00 179.45 179.64 3dkk h GLU 367 N 0.00 0.82 -0.49 3.15 5.08 -0.59 -2.69 114.58 119.86 3dkk h GLU 367 Ca -0.01 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 3dkk h GLU 367 Cb 1.29 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3dkk h GLU 367 CO 0.09 0.76 -0.14 0.66 -1.00 0.00 0.00 179.01 179.37 3dkk h SER 368 N 0.79 0.94 -0.44 1.42 4.64 -0.71 0.55 113.55 120.73 3dkk h SER 368 Ca 0.17 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3dkk h SER 368 Cb 0.33 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3dkk h SER 368 CO 0.00 1.07 0.27 0.40 -0.87 0.00 0.00 176.83 177.71 3dkk h ILE 369 N 0.83 1.13 -0.59 0.95 2.04 -1.42 -1.43 117.51 119.02 3dkk h ILE 369 Ca 0.13 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3dkk h ILE 369 Cb 0.69 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3dkk h ILE 369 CO 0.05 0.13 0.11 0.25 0.00 0.00 0.00 178.15 178.68 3dkk h LEU 370 N 0.58 0.92 -0.27 1.44 5.85 -0.93 0.15 115.31 123.04 3dkk h LEU 370 Ca 0.16 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3dkk h LEU 370 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3dkk h LEU 370 CO -0.03 0.94 0.12 0.15 -0.34 0.00 0.00 178.44 179.27 3dkk h PHE 371 N 0.86 0.40 0.00 1.25 3.04 0.22 -0.72 116.94 122.00 3dkk h PHE 371 Ca 0.18 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 3dkk h PHE 371 Cb 0.40 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 3dkk h PHE 371 CO 0.03 0.40 -0.59 0.45 -2.02 0.00 0.00 178.31 176.58 3dkk h HIS 372 N 0.29 0.00 -0.02 0.41 3.86 -1.07 -3.31 115.15 115.31 3dkk h HIS 372 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3dkk h HIS 372 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3dkk h HIS 372 CO -0.01 0.59 -0.25 0.66 0.86 0.00 0.00 177.93 179.77 3dkk n TYR 373 N -3.82 0.00 -1.96 2.45 4.01 0.02 -4.41 117.16 113.45 3dkk n TYR 373 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.70 3dkk n TYR 373 Cb 0.59 -0.01 0.12 0.00 -0.31 0.00 0.00 39.34 39.73 3dkk n TYR 373 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dkk n THR 374 N 0.37 1.84 -3.06 -0.72 -2.24 -0.29 -4.87 114.28 105.30 3dkk n THR 374 Ca 0.12 -3.09 -0.45 0.00 -2.27 0.00 0.00 64.05 58.36 3dkk n THR 374 Cb 0.49 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 3dkk n THR 374 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dkk s ASP 375 N -3.17 6.61 0.12 3.42 2.15 -1.26 -4.99 116.67 119.55 3dkk s ASP 375 Ca 0.40 -2.14 -0.30 0.00 0.43 0.00 0.00 52.55 50.94 3dkk s ASP 375 Cb 0.38 -2.33 -0.07 0.00 -0.30 0.00 0.00 42.92 40.60 3dkk s ASP 375 CO -0.06 -0.94 1.19 0.26 -0.17 0.00 0.00 175.17 175.46 3dkk s TRP 376 N 1.99 3.45 -0.39 -5.34 0.23 -1.26 -4.97 118.94 112.64 3dkk s TRP 376 Ca 0.26 1.37 0.09 0.00 -2.03 0.00 0.00 56.10 55.79 3dkk s TRP 376 Cb -0.09 -3.41 0.28 0.00 0.03 0.00 0.00 33.47 30.28 3dkk s TRP 376 CO -0.07 -1.20 0.62 1.55 0.96 0.00 0.00 176.95 178.82 3dkk n VAL 377 N 3.22 -0.49 0.00 4.03 3.14 -1.26 -4.88 118.33 122.09 3dkk n VAL 377 Ca 0.07 -3.88 0.00 0.00 -2.96 0.00 0.00 64.34 57.56 3dkk n VAL 377 Cb 0.46 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 3dkk n VAL 377 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3dkk n ASP 378 N 1.11 0.00 0.00 6.55 -0.08 -1.26 -5.10 116.55 117.77 3dkk n ASP 378 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 3dkk n ASP 378 Cb 0.58 0.20 0.00 0.00 2.34 0.00 0.00 41.12 44.23 3dkk n ASP 378 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3dkk n ASP 379 N -1.61 0.00 -1.50 1.67 2.03 -1.26 -4.58 116.55 111.29 3dkk n ASP 379 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 3dkk n ASP 379 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3dkk n ASP 379 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dkk n GLN 380 N 0.00 -0.01 -2.61 -0.67 3.00 -1.26 -5.05 117.38 110.78 3dkk n GLN 380 Ca 0.00 0.26 -0.02 0.00 -0.01 0.00 0.00 57.00 57.23 3dkk n GLN 380 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.73 3dkk n GLN 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3dkk n ARG 381 N -1.24 -1.22 0.25 -1.09 1.74 -1.26 -5.04 116.66 108.80 3dkk n ARG 381 Ca -0.00 1.38 0.14 0.00 -0.77 0.00 0.00 57.85 58.60 3dkk n ARG 381 Cb 0.50 -4.66 0.60 0.00 -1.02 0.00 0.00 32.46 27.88 3dkk n ARG 381 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3dkk h PRO 382 N 0.68 0.00 -0.26 5.56 0.11 -1.96 -2.90 132.00 133.23 3dkk h PRO 382 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dkk h PRO 382 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3dkk h PRO 382 CO 0.20 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.26 3dkk n GLU 383 N -3.29 1.77 0.10 1.05 0.00 -1.26 -4.44 120.64 114.57 3dkk n GLU 383 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 57.16 55.85 3dkk n GLU 383 Cb 0.35 -1.34 -0.06 0.00 0.00 0.00 0.00 31.44 30.39 3dkk n GLU 383 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3dkk h ASN 384 N 2.13 -1.02 0.43 -1.84 2.35 -1.87 -0.09 115.58 115.68 3dkk h ASN 384 Ca 0.00 0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.73 3dkk h ASN 384 Cb 0.48 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3dkk h ASN 384 CO 0.00 -0.42 -0.60 1.88 -1.65 0.00 0.00 177.43 176.64 3dkk h TYR 385 N -0.55 0.21 -0.31 1.19 0.05 -1.81 -0.93 116.97 114.82 3dkk h TYR 385 Ca 0.04 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3dkk h TYR 385 Cb 0.60 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3dkk h TYR 385 CO -0.33 0.72 0.14 -0.09 -1.05 0.00 0.00 178.16 177.55 3dkk h ARG 386 N 0.12 0.46 -0.60 4.88 2.43 -1.76 -2.09 114.38 117.81 3dkk h ARG 386 Ca -0.01 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3dkk h ARG 386 Cb 1.09 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3dkk h ARG 386 CO 0.09 0.45 0.02 0.93 -1.51 0.00 0.00 179.97 179.96 3dkk h GLU 387 N 0.36 1.04 -0.38 0.20 4.39 -0.91 -3.09 114.58 116.20 3dkk h GLU 387 Ca 0.11 -0.32 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 3dkk h GLU 387 Cb 0.16 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3dkk h GLU 387 CO -0.01 1.01 -0.20 0.00 -1.16 0.00 0.00 179.01 178.66 3dkk h ALA 388 N 0.99 0.95 -0.34 3.43 0.00 -1.00 -2.33 119.26 120.96 3dkk h ALA 388 Ca 0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3dkk h ALA 388 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dkk h ALA 388 CO 0.03 0.61 -0.33 1.25 0.00 0.00 0.00 179.25 180.80 3dkk h LEU 389 N 0.63 0.78 -0.63 0.00 5.85 -1.35 -0.57 115.31 120.03 3dkk h LEU 389 Ca 0.09 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3dkk h LEU 389 Cb 0.68 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3dkk h LEU 389 CO 0.05 1.05 0.22 1.23 -0.34 0.00 0.00 178.44 180.65 3dkk h GLY 390 N 0.95 1.03 0.90 3.75 0.00 -1.45 -1.59 103.07 106.65 3dkk h GLY 390 Ca 0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3dkk h GLY 390 CO 0.08 0.56 0.07 -0.55 0.00 0.00 0.00 176.54 176.69 3dkk h ASP 391 N 0.89 0.21 -0.70 0.19 3.32 -1.25 0.14 116.42 119.23 3dkk h ASP 391 Ca 0.21 -0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.27 3dkk h ASP 391 Cb 0.26 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.64 3dkk h ASP 391 CO -0.01 0.29 0.04 0.58 -1.72 0.00 0.00 179.24 178.42 3dkk h VAL 392 N 0.11 0.44 -0.09 -1.35 2.07 -1.00 0.43 116.25 116.86 3dkk h VAL 392 Ca 0.05 -0.05 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 3dkk h VAL 392 Cb 0.14 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3dkk h VAL 392 CO -0.01 0.03 -0.60 0.58 0.02 0.00 0.00 177.57 177.59 3dkk h VAL 393 N 0.15 1.35 -0.14 2.57 2.07 -0.65 -2.35 116.25 119.25 3dkk h VAL 393 Ca 0.38 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 3dkk h VAL 393 Cb 0.64 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3dkk h VAL 393 CO -0.57 0.58 -0.07 1.23 0.02 0.00 0.00 177.57 178.76 3dkk h GLY 394 N 0.19 0.32 1.00 2.17 0.00 -0.39 -2.16 103.07 104.20 3dkk h GLY 394 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3dkk h GLY 394 CO 0.12 0.26 0.21 -0.55 0.00 0.00 0.00 176.54 176.58 3dkk h ASP 395 N -0.05 0.36 -0.06 0.19 3.45 -0.19 -0.12 116.42 120.01 3dkk h ASP 395 Ca 0.03 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3dkk h ASP 395 Cb 0.54 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3dkk h ASP 395 CO 0.02 0.27 -0.02 0.22 -1.57 0.00 0.00 179.24 178.16 3dkk h TYR 396 N 0.43 0.12 0.00 4.55 3.20 -1.49 -2.35 116.97 121.43 3dkk h TYR 396 Ca 0.12 -0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.76 3dkk h TYR 396 Cb -0.05 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3dkk h TYR 396 CO -0.05 0.45 -0.98 -0.91 -1.64 0.00 0.00 178.16 175.03 3dkk h ASN 397 N -0.24 0.00 0.00 -2.11 2.35 -1.38 -3.41 115.58 110.79 3dkk h ASN 397 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3dkk h ASN 397 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3dkk h ASN 397 CO 0.01 0.92 -0.37 0.49 -1.65 0.00 0.00 177.43 176.83 3dkk n PHE 398 N -3.31 -0.39 0.08 1.19 3.01 -0.17 -4.51 117.46 113.36 3dkk n PHE 398 Ca -0.01 0.07 -0.10 0.00 1.01 0.00 0.00 57.45 58.42 3dkk n PHE 398 Cb 0.92 0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 40.57 3dkk n PHE 398 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3dkk h ILE 399 N 0.00 0.61 -0.35 4.37 2.04 -1.29 -1.23 117.51 121.66 3dkk h ILE 399 Ca 0.00 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3dkk h ILE 399 Cb 0.37 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3dkk h ILE 399 CO 0.00 0.16 0.23 0.00 0.00 0.00 0.00 178.15 178.54 3dkk h PRO 401 N 0.47 0.42 0.03 0.00 0.11 -1.74 0.59 132.00 131.87 3dkk h PRO 401 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3dkk h PRO 401 Cb -0.03 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3dkk h PRO 401 CO -0.03 0.28 -0.02 0.00 -0.21 0.00 0.00 178.00 178.03 3dkk h ALA 402 N 1.78 -0.05 -0.21 -0.75 0.00 -0.43 -1.26 119.26 118.35 3dkk h ALA 402 Ca 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dkk h ALA 402 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dkk h ALA 402 CO -0.03 -0.33 0.06 -0.07 0.00 0.00 0.00 179.25 178.88 3dkk h LEU 403 N -0.43 0.06 -0.82 0.00 3.38 -0.85 -1.20 115.31 115.45 3dkk h LEU 403 Ca -0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3dkk h LEU 403 Cb 0.40 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3dkk h LEU 403 CO 0.01 0.06 0.49 -0.08 0.09 0.00 0.00 178.44 179.01 3dkk h GLU 404 N 0.16 0.84 -0.52 1.13 4.57 -0.85 -1.05 114.58 118.85 3dkk h GLU 404 Ca 0.09 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3dkk h GLU 404 Cb 0.07 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 3dkk h GLU 404 CO -0.10 0.55 0.34 0.35 -1.18 0.00 0.00 179.01 178.97 3dkk h PHE 405 N 0.86 0.64 -0.22 0.92 3.57 -0.92 -1.88 116.94 119.91 3dkk h PHE 405 Ca 0.38 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 3dkk h PHE 405 Cb 0.26 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3dkk h PHE 405 CO -0.05 0.39 -0.00 1.15 -2.23 0.00 0.00 178.31 177.57 3dkk h THR 406 N 0.69 1.26 -0.20 4.41 2.02 -0.45 0.12 112.91 120.76 3dkk h THR 406 Ca 0.20 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3dkk h THR 406 Cb -0.05 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 3dkk h THR 406 CO -0.06 0.27 -0.41 0.11 0.37 0.00 0.00 175.52 175.81 3dkk h LYS 407 N 0.15 -0.42 -0.60 6.66 6.56 -1.14 0.38 116.57 128.16 3dkk h LYS 407 Ca 0.06 0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 3dkk h LYS 407 Cb 0.40 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.13 3dkk h LYS 407 CO 0.01 -0.28 0.18 0.87 -2.06 0.00 0.00 179.45 178.17 3dkk h LYS 408 N -0.44 0.94 -0.55 3.15 1.79 -1.12 -2.22 116.57 118.12 3dkk h LYS 408 Ca 0.09 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 3dkk h LYS 408 Cb 0.60 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 3dkk h LYS 408 CO -0.43 0.84 0.19 0.35 -1.08 0.00 0.00 179.45 179.32 3dkk h PHE 409 N 0.86 0.88 0.00 -1.35 3.57 -0.48 -2.37 116.94 118.05 3dkk h PHE 409 Ca 0.19 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3dkk h PHE 409 Cb 0.30 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3dkk h PHE 409 CO 0.02 0.73 -0.11 0.66 -2.23 0.00 0.00 178.31 177.39 3dkk h SER 410 N 0.77 0.00 0.73 0.41 4.64 -0.50 -2.69 113.55 116.91 3dkk h SER 410 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3dkk h SER 410 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dkk h SER 410 CO -0.01 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 175.44 3dkk n GLU 411 N -3.73 0.14 -0.61 4.77 1.02 -0.88 -1.33 120.64 120.02 3dkk n GLU 411 Ca -0.02 0.35 0.07 0.00 -0.02 0.00 0.00 57.16 57.54 3dkk n GLU 411 Cb 0.21 -1.76 0.31 0.00 -0.02 0.00 0.00 31.44 30.19 3dkk n GLU 411 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3dkk n TRP 412 N -2.02 1.45 0.00 -0.32 7.02 -1.01 -4.91 117.44 117.65 3dkk n TRP 412 Ca 0.03 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.97 3dkk n TRP 412 Cb 0.23 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 28.80 3dkk n TRP 412 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dkk n GLY 413 N 0.77 0.89 3.90 6.99 0.00 -0.44 -5.07 105.19 112.22 3dkk n GLY 413 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3dkk n GLY 413 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dkk s ASN 414 N -2.24 6.42 0.37 1.61 -0.87 -1.24 -5.06 114.94 113.93 3dkk s ASN 414 Ca 0.00 0.42 -0.28 0.00 -1.57 0.00 0.00 52.86 51.43 3dkk s ASN 414 Cb 0.00 -2.03 -0.10 0.00 -0.02 0.00 0.00 41.25 39.10 3dkk s ASN 414 CO 0.00 0.20 1.37 0.20 -2.57 0.00 0.00 177.10 176.31 3dkk s ASN 415 N -2.11 6.48 -0.10 -1.22 0.01 -1.26 -4.62 114.94 112.12 3dkk s ASN 415 Ca 0.31 2.82 -0.08 0.00 -0.71 0.00 0.00 52.86 55.20 3dkk s ASN 415 Cb -0.13 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 38.91 3dkk s ASN 415 CO 0.21 -0.75 0.26 0.00 -1.51 0.00 0.00 177.10 175.32 3dkk s ALA 416 N -1.16 -0.64 -0.04 0.60 0.00 -1.26 -1.97 121.76 117.29 3dkk s ALA 416 Ca 0.52 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.37 3dkk s ALA 416 Cb -0.42 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 3dkk s ALA 416 CO 0.56 -0.15 -0.19 -0.06 0.00 0.00 0.00 175.76 175.92 3dkk s PHE 417 N 0.50 1.83 -0.06 0.00 0.40 -0.45 0.99 117.98 121.18 3dkk s PHE 417 Ca -0.03 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.84 3dkk s PHE 417 Cb -0.04 -1.22 -0.00 0.00 0.51 0.00 0.00 43.02 42.27 3dkk s PHE 417 CO -0.03 -0.15 -0.19 0.12 0.70 0.00 0.00 175.22 175.68 3dkk s PHE 418 N -0.08 1.95 0.23 0.36 2.19 -1.26 -0.86 117.98 120.51 3dkk s PHE 418 Ca -0.02 -0.65 0.11 0.00 0.33 0.00 0.00 56.93 56.70 3dkk s PHE 418 Cb -0.11 -1.32 -0.05 0.00 -1.31 0.00 0.00 43.02 40.23 3dkk s PHE 418 CO 0.02 -0.25 -0.18 1.52 1.83 0.00 0.00 175.22 178.17 3dkk s TYR 419 N 0.18 2.40 -0.25 10.12 1.13 -0.28 -0.76 117.35 129.88 3dkk s TYR 419 Ca -0.09 -0.31 -0.01 0.00 -1.41 0.00 0.00 57.07 55.25 3dkk s TYR 419 Cb -0.14 -1.12 0.07 0.00 -1.10 0.00 0.00 41.96 39.68 3dkk s TYR 419 CO 0.04 0.59 0.03 -0.47 -2.51 0.00 0.00 175.55 173.23 3dkk s TYR 420 N -2.04 1.79 -0.26 -3.49 5.04 0.76 -2.23 117.35 116.91 3dkk s TYR 420 Ca 0.26 -1.52 -0.24 0.00 -2.44 0.00 0.00 57.07 53.13 3dkk s TYR 420 Cb -0.07 -1.51 -0.00 0.00 0.35 0.00 0.00 41.96 40.73 3dkk s TYR 420 CO 0.14 -0.76 0.81 0.12 -1.34 0.00 0.00 175.55 174.51 3dkk s PHE 421 N 1.59 3.27 -0.08 4.97 5.36 0.23 -1.65 117.98 131.68 3dkk s PHE 421 Ca 0.02 1.02 0.21 0.00 -0.96 0.00 0.00 56.93 57.22 3dkk s PHE 421 Cb -0.18 -3.10 0.43 0.00 -0.34 0.00 0.00 43.02 39.83 3dkk s PHE 421 CO -0.13 -0.45 1.19 -0.85 -1.46 0.00 0.00 175.22 173.52 3dkk n GLU 422 N 6.06 0.59 -3.69 10.12 0.28 -0.52 -0.51 120.64 132.98 3dkk n GLU 422 Ca 0.05 -2.48 -0.37 0.00 -0.16 0.00 0.00 57.16 54.20 3dkk n GLU 422 Cb 0.48 -0.58 -0.11 0.00 1.43 0.00 0.00 31.44 32.65 3dkk n GLU 422 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3dkk s HIS 423 N -1.17 3.20 -0.36 -1.84 2.46 -1.24 -4.87 115.29 111.47 3dkk s HIS 423 Ca 0.35 -0.02 -0.28 0.00 0.47 0.00 0.00 55.06 55.59 3dkk s HIS 423 Cb 0.38 -2.29 0.02 0.00 -0.13 0.00 0.00 32.58 30.56 3dkk s HIS 423 CO -0.13 -0.15 1.02 0.50 -2.47 0.00 0.00 174.74 173.51 3dkk s ARG 424 N 1.46 3.94 0.06 2.88 3.52 -1.26 -4.86 118.95 124.69 3dkk s ARG 424 Ca 0.06 0.81 -0.37 0.00 -0.13 0.00 0.00 55.73 56.11 3dkk s ARG 424 Cb -0.15 -3.78 -0.17 0.00 -1.56 0.00 0.00 34.95 29.29 3dkk s ARG 424 CO 0.07 -0.97 1.35 0.45 -0.81 0.00 0.00 175.30 175.39 3dkk n SER 425 N 6.93 1.64 0.06 -2.12 2.88 -1.26 -4.84 113.62 116.91 3dkk n SER 425 Ca 0.10 1.12 0.16 0.00 -1.33 0.00 0.00 58.87 58.91 3dkk n SER 425 Cb 0.48 -1.18 0.65 0.00 -0.75 0.00 0.00 64.21 63.40 3dkk n SER 425 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3dkk h SER 426 N 4.65 0.06 -0.23 -3.46 4.64 -1.95 -1.61 113.55 115.65 3dkk h SER 426 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3dkk h SER 426 Cb 1.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3dkk h SER 426 CO 0.78 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 177.07 3dkk n LYS 427 N -4.44 1.69 -1.71 4.77 5.02 -1.26 -4.97 118.16 117.26 3dkk n LYS 427 Ca 0.06 -1.06 -0.42 0.00 -2.02 0.00 0.00 58.31 54.87 3dkk n LYS 427 Cb 0.43 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 3dkk n LYS 427 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3dkk n LEU 428 N 0.31 3.95 0.04 -0.35 -0.00 -0.61 -4.88 117.00 115.47 3dkk n LEU 428 Ca 0.14 1.04 0.13 0.00 -0.00 0.00 0.00 56.01 57.31 3dkk n LEU 428 Cb 0.29 -1.55 0.36 0.00 -0.00 0.00 0.00 43.42 42.51 3dkk n LEU 428 CO 0.10 0.15 0.65 -0.81 -0.00 0.00 0.00 177.39 177.49 3dkk n PRO 429 N 4.51 0.14 -2.25 1.96 -0.04 -1.26 -4.88 135.00 133.18 3dkk n PRO 429 Ca 0.17 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.39 3dkk n PRO 429 Cb 0.35 -1.62 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 3dkk n PRO 429 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dkk s TRP 430 N -3.07 3.54 1.04 0.54 0.52 -1.26 -4.88 118.94 115.37 3dkk s TRP 430 Ca 0.10 1.28 -0.14 0.00 0.02 0.00 0.00 56.10 57.37 3dkk s TRP 430 Cb 0.16 -2.67 0.21 0.00 -1.15 0.00 0.00 33.47 30.01 3dkk s TRP 430 CO 0.64 -0.46 1.10 -1.25 0.02 0.00 0.00 176.95 177.00 3dkk s PRO 431 N -4.57 0.08 0.41 4.98 0.04 -1.26 -4.93 135.00 129.76 3dkk s PRO 431 Ca 0.55 0.34 0.14 0.00 0.04 0.00 0.00 61.00 62.07 3dkk s PRO 431 Cb -0.10 -1.71 0.88 0.00 0.04 0.00 0.00 34.50 33.60 3dkk s PRO 431 CO 0.42 -2.92 1.91 0.93 0.04 0.00 0.00 177.00 177.38 3dkk h GLU 432 N -2.03 0.00 0.00 4.56 4.39 -1.95 -2.44 114.58 117.12 3dkk h GLU 432 Ca -0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3dkk h GLU 432 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3dkk h GLU 432 CO 0.53 0.27 0.00 -2.67 -1.16 0.00 0.00 179.01 175.99 3dkk n TRP 433 N -4.19 0.37 0.85 4.33 4.27 -1.26 -1.64 117.44 120.17 3dkk n TRP 433 Ca -0.02 0.12 0.13 0.00 -3.89 0.00 0.00 57.50 53.84 3dkk n TRP 433 Cb 0.32 -0.70 0.40 0.00 -1.36 0.00 0.00 31.31 29.98 3dkk n TRP 433 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 3dkk n MET 434 N -1.82 0.10 0.00 -2.67 2.81 -0.92 -4.99 117.12 109.64 3dkk n MET 434 Ca 0.05 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3dkk n MET 434 Cb 0.30 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3dkk n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dkk n GLY 435 N 1.43 2.62 3.47 3.03 0.00 -0.65 -4.13 105.19 110.95 3dkk n GLY 435 Ca 0.06 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 3dkk n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dkk s VAL 436 N 0.00 4.92 0.79 1.61 1.01 -1.26 -4.85 120.40 122.62 3dkk s VAL 436 Ca 0.00 -2.34 -0.11 0.00 0.00 0.00 0.00 61.98 59.53 3dkk s VAL 436 Cb 0.00 -4.89 0.07 0.00 0.00 0.00 0.00 36.38 31.56 3dkk s VAL 436 CO 0.00 -1.61 1.11 -0.04 0.00 0.00 0.00 175.10 174.56 3dkk s MET 437 N 1.97 2.01 0.02 2.72 1.00 -1.26 -1.40 119.30 124.37 3dkk s MET 437 Ca 0.41 1.29 -0.35 0.00 0.00 0.00 0.00 55.69 57.04 3dkk s MET 437 Cb -0.03 -1.86 -0.13 0.00 0.00 0.00 0.00 34.83 32.80 3dkk s MET 437 CO -0.02 -1.84 1.68 1.58 0.00 0.00 0.00 175.02 176.42 3dkk n HIS 438 N -3.58 2.20 0.00 -0.03 -0.00 -1.24 -3.00 115.22 109.57 3dkk n HIS 438 Ca 0.10 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 3dkk n HIS 438 Cb 0.53 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 3dkk n HIS 438 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dkk n GLY 439 N 3.76 0.37 1.51 1.57 0.00 -1.26 -4.94 105.19 106.20 3dkk n GLY 439 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 3dkk n GLY 439 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dkk n TYR 440 N -1.68 1.71 0.20 1.61 4.02 -1.16 -3.26 117.16 118.59 3dkk n TYR 440 Ca 0.00 -0.98 0.09 0.00 -0.01 0.00 0.00 57.90 57.00 3dkk n TYR 440 Cb 0.00 -0.49 -0.14 0.00 -0.02 0.00 0.00 39.34 38.69 3dkk n TYR 440 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3dkk n GLU 441 N -0.14 0.65 -0.07 -0.72 0.00 -1.26 -4.66 120.64 114.44 3dkk n GLU 441 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 57.16 57.25 3dkk n GLU 441 Cb 1.13 -1.44 -0.01 0.00 0.00 0.00 0.00 31.44 31.13 3dkk n GLU 441 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3dkk h ILE 442 N 0.00 0.77 -0.27 3.84 2.04 -1.94 -0.87 117.51 121.08 3dkk h ILE 442 Ca 0.00 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3dkk h ILE 442 Cb 0.77 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3dkk h ILE 442 CO 0.00 0.01 0.19 1.05 0.00 0.00 0.00 178.15 179.40 3dkk h GLU 443 N 0.04 0.03 -0.50 2.37 4.11 -1.82 0.40 114.58 119.22 3dkk h GLU 443 Ca 0.13 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.43 3dkk h GLU 443 Cb 0.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3dkk h GLU 443 CO -0.25 0.02 -0.18 0.74 0.07 0.00 0.00 179.01 179.41 3dkk h PHE 444 N 0.04 1.14 -0.23 2.06 -1.00 -1.47 -0.77 116.94 116.69 3dkk h PHE 444 Ca 0.12 -0.26 -0.12 0.00 2.81 0.00 0.00 57.97 60.52 3dkk h PHE 444 Cb 0.46 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 3dkk h PHE 444 CO -0.00 1.09 -0.36 0.28 -1.61 0.00 0.00 178.31 177.71 3dkk h VAL 445 N 0.87 1.29 0.00 -0.55 2.07 -0.27 -2.85 116.25 116.82 3dkk h VAL 445 Ca 0.12 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3dkk h VAL 445 Cb 0.76 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3dkk h VAL 445 CO 0.06 0.47 -0.37 0.49 0.02 0.00 0.00 177.57 178.24 3dkk n PHE 446 N -4.05 0.11 -0.39 1.57 3.01 -0.59 -4.67 117.46 112.44 3dkk n PHE 446 Ca -0.01 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3dkk n PHE 446 Cb 0.48 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 3dkk n PHE 446 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dkk n GLY 447 N 1.47 0.78 0.36 1.37 0.00 -0.82 -3.97 105.19 104.38 3dkk n GLY 447 Ca 0.06 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.71 3dkk n GLY 447 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dkk h LEU 448 N 0.00 0.77 0.00 0.99 3.38 -1.42 -0.67 115.31 118.36 3dkk h LEU 448 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkk h LEU 448 Cb 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dkk h LEU 448 CO 0.00 0.50 0.00 -2.65 0.09 0.00 0.00 178.44 176.38 3dkk n PRO 449 N -4.48 0.32 0.20 1.13 -0.02 -1.26 -1.69 135.00 129.19 3dkk n PRO 449 Ca 0.12 0.09 0.09 0.00 -2.02 0.00 0.00 63.50 61.77 3dkk n PRO 449 Cb 0.21 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.48 3dkk n PRO 449 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dkk h LEU 450 N 0.00 0.00 -8.63 2.45 3.38 -1.41 -3.38 115.31 107.72 3dkk h LEU 450 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3dkk h LEU 450 Cb 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 3dkk h LEU 450 CO 0.00 0.25 0.89 -0.70 0.09 0.00 0.00 178.44 178.97 3dkk s GLU 451 N -3.36 3.58 0.27 1.13 2.56 -0.68 -4.88 118.70 117.31 3dkk s GLU 451 Ca 0.03 0.32 0.08 0.00 0.00 0.00 0.00 54.97 55.40 3dkk s GLU 451 Cb 0.08 -3.97 0.35 0.00 2.00 0.00 0.00 34.13 32.60 3dkk s GLU 451 CO 0.67 -1.51 1.62 0.00 -0.56 0.00 0.00 175.26 175.47 3dkk h ARG 452 N 9.37 0.10 0.00 4.30 3.08 -1.86 -2.77 114.38 126.60 3dkk h ARG 452 Ca -0.24 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3dkk h ARG 452 Cb 1.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3dkk h ARG 452 CO 1.14 0.65 0.07 0.00 -1.07 0.00 0.00 179.97 180.77 3dkk h ARG 453 N 0.08 0.00 -0.00 0.04 2.47 -1.96 -3.26 114.38 111.74 3dkk h ARG 453 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dkk h ARG 453 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3dkk h ARG 453 CO 0.08 0.00 -0.07 -0.25 0.56 0.00 0.00 179.97 180.29 3dkk n ASP 454 N -2.85 0.42 0.00 7.04 9.92 -1.04 -4.96 116.55 125.08 3dkk n ASP 454 Ca -0.02 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.58 3dkk n ASP 454 Cb 0.13 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 3dkk n ASP 454 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dkk n GLN 455 N -0.92 0.00 -2.53 -1.24 3.00 -1.23 -5.07 117.38 109.39 3dkk n GLN 455 Ca 0.16 0.37 -0.29 0.00 -0.01 0.00 0.00 57.00 57.23 3dkk n GLN 455 Cb 0.25 -3.21 -0.01 0.00 0.00 0.00 0.00 30.24 27.27 3dkk n GLN 455 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3dkk s TYR 456 N -2.00 3.54 1.11 1.08 1.51 -1.26 -4.83 117.35 116.50 3dkk s TYR 456 Ca 0.00 1.04 -0.15 0.00 -1.01 0.00 0.00 57.07 56.95 3dkk s TYR 456 Cb 0.00 -2.48 0.24 0.00 -0.11 0.00 0.00 41.96 39.62 3dkk s TYR 456 CO 0.00 -0.31 1.08 0.95 -1.11 0.00 0.00 175.55 176.16 3dkk s THR 457 N -2.70 1.84 0.26 -0.71 -4.23 -1.26 -4.87 115.64 103.97 3dkk s THR 457 Ca 0.51 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.05 3dkk s THR 457 Cb -0.10 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.34 3dkk s THR 457 CO 0.41 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.64 3dkk h LYS 458 N -2.30 0.38 0.00 3.99 1.63 -1.98 -2.64 116.57 115.65 3dkk h LYS 458 Ca -0.52 -0.19 -0.15 0.00 -0.85 0.00 0.00 60.65 58.94 3dkk h LYS 458 Cb 1.32 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.93 3dkk h LYS 458 CO 0.48 0.73 -0.72 0.00 -3.45 0.00 0.00 179.45 176.49 3dkk h ALA 459 N 1.25 0.72 -0.27 5.00 0.00 -1.97 -2.37 119.26 121.63 3dkk h ALA 459 Ca 0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3dkk h ALA 459 Cb 0.85 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dkk h ALA 459 CO 0.07 0.90 -0.19 0.93 0.00 0.00 0.00 179.25 180.96 3dkk h GLU 460 N 0.00 0.60 -0.42 0.00 5.08 -1.88 -1.54 114.58 116.42 3dkk h GLU 460 Ca -0.01 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3dkk h GLU 460 Cb 1.35 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 3dkk h GLU 460 CO 0.09 0.88 0.13 1.49 -1.00 0.00 0.00 179.01 180.60 3dkk h GLU 461 N 0.33 0.27 -0.20 2.33 4.81 -1.23 0.11 114.58 121.00 3dkk h GLU 461 Ca 0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3dkk h GLU 461 Cb 0.73 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3dkk h GLU 461 CO 0.05 0.18 0.11 0.82 -0.73 0.00 0.00 179.01 179.44 3dkk h ILE 462 N 0.28 1.10 -0.19 2.32 1.08 -1.39 0.35 117.51 121.06 3dkk h ILE 462 Ca 0.20 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 3dkk h ILE 462 Cb 0.20 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 3dkk h ILE 462 CO -0.22 0.09 -0.12 0.25 -0.69 0.00 0.00 178.15 177.46 3dkk h LEU 463 N 0.22 -0.40 -1.42 1.44 5.85 -0.96 -1.14 115.31 118.90 3dkk h LEU 463 Ca 0.07 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3dkk h LEU 463 Cb 0.05 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3dkk h LEU 463 CO -0.01 -0.16 -0.22 -1.28 -0.34 0.00 0.00 178.44 176.43 3dkk h SER 464 N -0.12 0.10 -0.32 1.25 0.87 -0.84 -1.81 113.55 112.68 3dkk h SER 464 Ca 0.11 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 3dkk h SER 464 Cb 0.29 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3dkk h SER 464 CO -0.27 0.33 -0.31 -0.09 -0.53 0.00 0.00 176.83 175.96 3dkk h ARG 465 N 0.10 0.84 -0.05 2.24 9.65 -0.09 -1.65 114.38 125.42 3dkk h ARG 465 Ca 0.02 -0.39 -0.03 0.00 -1.10 0.00 0.00 59.98 58.47 3dkk h ARG 465 Cb 0.45 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3dkk h ARG 465 CO 0.03 1.03 -0.09 1.03 2.80 0.00 0.00 179.97 184.78 3dkk h SER 466 N 0.71 0.17 -0.48 -3.80 0.87 -0.88 -2.24 113.55 107.89 3dkk h SER 466 Ca 0.08 -0.54 0.10 0.00 -1.23 0.00 0.00 61.79 60.19 3dkk h SER 466 Cb 0.86 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.69 3dkk h SER 466 CO 0.08 0.68 -0.10 0.40 -0.53 0.00 0.00 176.83 177.36 3dkk h ILE 467 N -0.33 0.53 -0.77 2.23 2.04 -1.33 0.11 117.51 120.00 3dkk h ILE 467 Ca 0.00 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3dkk h ILE 467 Cb 0.64 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3dkk h ILE 467 CO 0.02 0.00 0.49 0.58 0.00 0.00 0.00 178.15 179.25 3dkk h VAL 468 N 0.02 1.14 -0.36 1.67 2.07 -1.31 0.31 116.25 119.78 3dkk h VAL 468 Ca 0.23 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3dkk h VAL 468 Cb 0.36 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3dkk h VAL 468 CO -0.48 0.18 0.13 0.50 0.02 0.00 0.00 177.57 177.92 3dkk h LYS 469 N 0.98 0.55 -0.32 1.57 1.63 -0.74 -0.79 116.57 119.44 3dkk h LYS 469 Ca 0.30 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 3dkk h LYS 469 Cb -0.03 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3dkk h LYS 469 CO -0.10 0.56 0.08 0.00 -3.45 0.00 0.00 179.45 176.54 3dkk h ARG 470 N 0.44 0.51 -0.78 1.90 3.08 -0.01 0.27 114.38 119.79 3dkk h ARG 470 Ca 0.12 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3dkk h ARG 470 Cb 0.22 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 3dkk h ARG 470 CO -0.01 0.57 0.45 -1.49 -1.07 0.00 0.00 179.97 178.42 3dkk h TRP 471 N 0.36 0.81 -0.17 3.04 -0.00 -0.29 0.47 115.95 120.18 3dkk h TRP 471 Ca 0.10 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.92 3dkk h TRP 471 Cb 0.28 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.19 3dkk h TRP 471 CO 0.01 0.36 -0.28 0.00 -0.00 0.00 0.00 178.44 178.54 3dkk h ALA 472 N 1.41 0.26 -0.80 1.49 0.00 -0.69 -1.87 119.26 119.06 3dkk h ALA 472 Ca 0.36 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dkk h ALA 472 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3dkk h ALA 472 CO -0.22 0.26 0.50 -0.91 0.00 0.00 0.00 179.25 178.89 3dkk h ASN 473 N 0.12 0.95 -0.39 0.00 2.35 -0.37 0.08 115.58 118.32 3dkk h ASN 473 Ca 0.01 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3dkk h ASN 473 Cb 0.86 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 3dkk h ASN 473 CO 0.06 0.71 0.17 0.15 -1.65 0.00 0.00 177.43 176.87 3dkk h PHE 474 N 1.10 0.31 -0.18 1.19 3.57 -0.64 0.18 116.94 122.47 3dkk h PHE 474 Ca 0.29 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 3dkk h PHE 474 Cb -0.08 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 3dkk h PHE 474 CO 0.00 0.15 -0.17 0.00 -2.23 0.00 0.00 178.31 176.06 3dkk h ALA 475 N 1.22 0.27 -0.01 2.41 0.00 -0.80 0.54 119.26 122.89 3dkk h ALA 475 Ca 0.17 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 3dkk h ALA 475 Cb 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dkk h ALA 475 CO -0.14 0.17 -0.99 0.87 0.00 0.00 0.00 179.25 179.15 3dkk h LYS 476 N 0.10 0.62 0.00 0.00 1.57 -0.99 -3.41 116.57 114.47 3dkk h LYS 476 Ca 0.03 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 3dkk h LYS 476 Cb 0.70 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3dkk h LYS 476 CO 0.04 1.26 -0.41 0.66 -0.57 0.00 0.00 179.45 180.43 3dkk n TYR 477 N -3.83 0.00 -0.81 -1.35 0.53 0.60 -5.01 117.16 107.29 3dkk n TYR 477 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 3dkk n TYR 477 Cb 0.86 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 39.16 3dkk n TYR 477 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3dkk n GLY 478 N 1.50 0.50 2.93 2.72 0.00 0.19 -4.98 105.19 108.04 3dkk n GLY 478 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 3dkk n GLY 478 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dkk s ASN 479 N -2.77 0.35 -0.51 1.61 3.84 -1.23 -4.94 114.94 111.29 3dkk s ASN 479 Ca 0.00 0.25 -0.05 0.00 0.21 0.00 0.00 52.86 53.27 3dkk s ASN 479 Cb 0.00 1.03 -0.00 0.00 -0.55 0.00 0.00 41.25 41.72 3dkk s ASN 479 CO 0.00 -0.29 2.91 -0.81 -2.79 0.00 0.00 177.10 176.11 3dkk n PRO 480 N 5.36 2.63 -3.09 0.43 -0.04 -1.26 -3.53 135.00 135.50 3dkk n PRO 480 Ca -0.04 -2.20 -0.30 0.00 -0.04 0.00 0.00 63.50 60.91 3dkk n PRO 480 Cb 0.50 -2.20 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 3dkk n PRO 480 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3dkk s GLN 481 N -0.96 3.78 -0.31 0.54 -1.52 -1.26 -4.72 119.66 115.21 3dkk s GLN 481 Ca 0.60 0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 54.34 3dkk s GLN 481 Cb 0.34 -2.49 0.05 0.00 -0.22 0.00 0.00 33.01 30.68 3dkk s GLN 481 CO -0.16 0.10 0.03 -2.00 -0.25 0.00 0.00 175.29 173.01 3dkk s GLU 482 N -3.51 2.46 0.00 2.91 -6.30 -1.26 -4.45 118.70 108.55 3dkk s GLU 482 Ca 0.49 -1.26 0.23 0.00 -2.50 0.00 0.00 54.97 51.93 3dkk s GLU 482 Cb -0.10 -3.26 0.10 0.00 0.00 0.00 0.00 34.13 30.87 3dkk s GLU 482 CO 0.28 -0.65 1.13 0.25 0.02 0.00 0.00 175.26 176.29 3dkk n THR 483 N 4.67 0.00 -0.11 -1.70 -2.24 -1.26 -4.18 114.28 109.46 3dkk n THR 483 Ca -0.13 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3dkk n THR 483 Cb 0.44 0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 69.18 3dkk n THR 483 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dkk n GLN 484 N -1.50 0.68 -1.83 -0.78 6.02 -1.26 -4.60 117.38 114.11 3dkk n GLN 484 Ca 0.05 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.75 3dkk n GLN 484 Cb 0.33 -1.53 0.04 0.00 1.02 0.00 0.00 30.24 30.11 3dkk n GLN 484 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3dkk n ASN 485 N -2.92 6.62 -4.04 1.08 3.02 -1.26 -4.87 115.26 112.89 3dkk n ASN 485 Ca -0.37 -3.79 -0.28 0.00 -0.03 0.00 0.00 54.58 50.12 3dkk n ASN 485 Cb 1.11 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 3dkk n ASN 485 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dkk n GLN 486 N -0.70 -3.11 -2.09 3.52 6.02 -1.26 -4.94 117.38 114.82 3dkk n GLN 486 Ca 0.53 0.37 -0.29 0.00 -0.01 0.00 0.00 57.00 57.60 3dkk n GLN 486 Cb 0.60 -4.59 0.04 0.00 1.02 0.00 0.00 30.24 27.31 3dkk n GLN 486 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3dkk s SER 487 N -4.12 5.52 0.14 1.08 0.01 -1.26 -5.01 113.70 110.06 3dkk s SER 487 Ca 0.17 0.98 -0.31 0.00 1.31 0.00 0.00 55.95 58.10 3dkk s SER 487 Cb -0.09 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.19 3dkk s SER 487 CO 0.91 -1.22 1.43 -0.89 0.41 0.00 0.00 173.24 173.88 3dkk s THR 488 N -3.21 3.08 0.19 1.44 2.01 -1.26 -4.98 115.64 112.91 3dkk s THR 488 Ca 0.56 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 3dkk s THR 488 Cb -0.11 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3dkk s THR 488 CO 0.49 0.07 1.29 -0.55 -0.69 0.00 0.00 174.62 175.23 3dkk s SER 489 N 1.01 6.93 -0.32 3.53 0.15 -1.26 -4.81 113.70 118.93 3dkk s SER 489 Ca 0.65 2.36 -0.18 0.00 0.70 0.00 0.00 55.95 59.48 3dkk s SER 489 Cb -0.39 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.30 3dkk s SER 489 CO 0.32 -0.50 0.51 0.86 1.20 0.00 0.00 173.24 175.62 3dkk s TRP 490 N 0.14 3.21 0.37 3.44 -0.11 -1.26 -4.96 118.94 119.77 3dkk s TRP 490 Ca 0.56 0.34 -0.14 0.00 1.22 0.00 0.00 56.10 58.08 3dkk s TRP 490 Cb -0.36 -2.85 -0.08 0.00 -1.50 0.00 0.00 33.47 28.68 3dkk s TRP 490 CO 0.37 -0.45 0.79 -1.25 -4.62 0.00 0.00 176.95 171.80 3dkk s PRO 491 N 2.36 3.95 0.55 5.86 0.04 -1.26 -4.93 135.00 141.57 3dkk s PRO 491 Ca 0.19 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 3dkk s PRO 491 Cb -0.15 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3dkk s PRO 491 CO 0.12 0.05 1.16 0.14 0.04 0.00 0.00 177.00 178.50 3dkk s VAL 492 N -2.17 2.99 -0.29 -0.36 -7.23 -1.26 -4.68 120.40 107.40 3dkk s VAL 492 Ca 0.54 0.63 -0.24 0.00 -1.81 0.00 0.00 61.98 61.10 3dkk s VAL 492 Cb -0.10 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.58 3dkk s VAL 492 CO 0.22 -0.13 0.84 0.12 -0.31 0.00 0.00 175.10 175.84 3dkk s PHE 493 N -1.70 3.22 0.10 2.82 2.19 0.28 -4.58 117.98 120.30 3dkk s PHE 493 Ca 0.74 0.94 0.09 0.00 0.33 0.00 0.00 56.93 59.02 3dkk s PHE 493 Cb -0.26 -3.25 -0.04 0.00 -1.31 0.00 0.00 43.02 38.17 3dkk s PHE 493 CO 0.29 -0.56 -0.19 0.15 1.83 0.00 0.00 175.22 176.75 3dkk s LYS 494 N 3.03 1.82 0.68 10.12 -0.14 -1.26 -4.49 119.74 129.49 3dkk s LYS 494 Ca 0.35 -1.15 -0.16 0.00 -1.36 0.00 0.00 55.97 53.65 3dkk s LYS 494 Cb -0.14 -2.11 0.01 0.00 -1.68 0.00 0.00 37.83 33.91 3dkk s LYS 494 CO 0.12 0.49 1.19 -1.12 -0.76 0.00 0.00 175.35 175.27 3dkk s SER 495 N -1.97 4.65 0.00 2.83 0.01 -1.26 -1.17 113.70 116.79 3dkk s SER 495 Ca 0.17 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.73 3dkk s SER 495 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3dkk s SER 495 CO 0.09 -1.95 0.00 0.35 0.41 0.00 0.00 173.24 172.13 3dkk n THR 496 N -2.33 0.00 0.05 1.44 -2.24 -1.26 -4.67 114.28 105.26 3dkk n THR 496 Ca 0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.75 3dkk n THR 496 Cb 0.50 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 3dkk n THR 496 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dkk h GLU 497 N 0.00 0.22 -5.67 -0.78 5.08 -1.99 -3.48 114.58 107.96 3dkk h GLU 497 Ca 0.00 -0.38 -0.33 0.00 -1.00 0.00 0.00 59.36 57.65 3dkk h GLU 497 Cb 0.00 0.14 0.16 0.00 0.50 0.00 0.00 28.75 29.55 3dkk h GLU 497 CO 0.00 1.06 -0.79 1.04 -1.00 0.00 0.00 179.01 179.32 3dkk n GLN 498 N -3.41 -5.87 -2.67 2.33 6.02 -0.32 -4.02 117.38 109.43 3dkk n GLN 498 Ca -0.17 0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 3dkk n GLN 498 Cb 1.04 -5.79 -0.05 0.00 1.02 0.00 0.00 30.24 26.46 3dkk n GLN 498 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3dkk s LYS 499 N -5.29 4.50 0.06 -1.09 1.02 -1.26 -0.98 119.74 116.70 3dkk s LYS 499 Ca 0.06 1.46 -0.04 0.00 0.02 0.00 0.00 55.97 57.47 3dkk s LYS 499 Cb -0.01 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3dkk s LYS 499 CO 0.74 0.18 0.06 1.52 -0.92 0.00 0.00 175.35 176.92 3dkk s TYR 500 N -1.53 0.34 -0.11 3.18 1.13 -0.24 -4.24 117.35 115.88 3dkk s TYR 500 Ca 0.51 -0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 55.35 3dkk s TYR 500 Cb -0.22 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 3dkk s TYR 500 CO 0.28 -0.42 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.64 3dkk s LEU 501 N -2.73 3.03 0.12 -3.49 2.96 0.06 -1.62 118.68 117.00 3dkk s LEU 501 Ca 0.04 -0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.66 3dkk s LEU 501 Cb 0.05 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 3dkk s LEU 501 CO -0.09 0.24 0.49 0.42 -1.32 0.00 0.00 176.35 176.08 3dkk s THR 502 N -0.06 4.95 -0.24 3.68 -4.23 -0.46 -0.17 115.64 119.12 3dkk s THR 502 Ca -0.00 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 3dkk s THR 502 Cb -0.13 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.06 3dkk s THR 502 CO 0.03 0.27 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.53 3dkk s LEU 503 N -1.91 2.93 0.29 4.79 1.43 -0.66 -3.99 118.68 121.57 3dkk s LEU 503 Ca 0.35 -1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 3dkk s LEU 503 Cb -0.15 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3dkk s LEU 503 CO 0.19 -0.20 0.49 0.54 0.23 0.00 0.00 176.35 177.59 3dkk s ASN 504 N 1.26 0.28 0.09 2.29 2.20 -1.26 -1.43 114.94 118.36 3dkk s ASN 504 Ca -0.07 -1.16 0.01 0.00 -0.94 0.00 0.00 52.86 50.70 3dkk s ASN 504 Cb -0.19 0.63 -0.25 0.00 -2.00 0.00 0.00 41.25 39.44 3dkk s ASN 504 CO -0.06 -1.23 1.18 0.71 -2.94 0.00 0.00 177.10 174.76 3dkk h THR 505 N 2.20 1.56 0.00 0.54 1.35 -1.91 -3.43 112.91 113.22 3dkk h THR 505 Ca -0.28 -3.21 0.00 0.00 -0.55 0.00 0.00 66.41 62.37 3dkk h THR 505 Cb 1.25 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 3dkk h THR 505 CO 0.38 0.92 0.00 -0.62 -0.25 0.00 0.00 175.52 175.95 3dkk n GLU 506 N -3.43 0.00 -3.94 4.72 4.71 -1.26 -4.94 120.64 116.50 3dkk n GLU 506 Ca -0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.74 3dkk n GLU 506 Cb 0.99 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 31.30 3dkk n GLU 506 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3dkk s SER 507 N -1.00 5.15 -0.01 1.62 1.04 -1.26 -5.08 113.70 114.16 3dkk s SER 507 Ca 0.00 -0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 3dkk s SER 507 Cb 0.00 -1.90 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 3dkk s SER 507 CO 0.00 0.05 0.67 0.42 0.98 0.00 0.00 173.24 175.36 3dkk s THR 508 N 1.10 4.90 0.23 2.02 -4.23 -1.26 -4.74 115.64 113.66 3dkk s THR 508 Ca 0.04 1.40 0.07 0.00 -1.18 0.00 0.00 61.69 62.01 3dkk s THR 508 Cb -0.14 -4.01 -0.05 0.00 1.34 0.00 0.00 72.50 69.64 3dkk s THR 508 CO 0.03 0.36 -0.10 0.00 -0.54 0.00 0.00 174.62 174.36 3dkk s ARG 509 N 0.12 1.41 -0.19 3.99 3.03 -1.26 -4.90 118.95 121.16 3dkk s ARG 509 Ca 0.35 -1.67 -0.20 0.00 2.03 0.00 0.00 55.73 56.24 3dkk s ARG 509 Cb -0.19 -1.08 -0.03 0.00 -1.03 0.00 0.00 34.95 32.62 3dkk s ARG 509 CO 0.19 0.10 0.57 0.42 -1.13 0.00 0.00 175.30 175.46 3dkk s ILE 510 N -3.03 5.07 0.29 4.99 -1.09 -1.26 -1.35 121.20 124.82 3dkk s ILE 510 Ca 0.26 1.08 0.02 0.00 -2.23 0.00 0.00 60.65 59.77 3dkk s ILE 510 Cb 0.02 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 3dkk s ILE 510 CO 0.09 0.16 0.06 0.23 -1.23 0.00 0.00 174.94 174.24 3dkk n MET 511 N 4.83 0.88 -4.10 2.79 2.81 -0.64 -4.99 117.12 118.69 3dkk n MET 511 Ca -0.03 -2.31 -0.14 0.00 -1.81 0.00 0.00 57.70 53.40 3dkk n MET 511 Cb 0.50 1.02 -0.13 0.00 -0.71 0.00 0.00 33.22 33.90 3dkk n MET 511 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dkk s THR 512 N -2.42 0.41 -1.16 2.03 -4.23 -1.26 -1.08 115.64 107.93 3dkk s THR 512 Ca 0.09 -0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.07 3dkk s THR 512 Cb 0.00 -0.40 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 3dkk s THR 512 CO 0.06 -0.06 0.88 0.29 -0.54 0.00 0.00 174.62 175.26 3dkk n LYS 513 N 2.48 -3.97 -1.55 3.99 5.02 -0.15 -4.90 118.16 119.08 3dkk n LYS 513 Ca -0.16 0.76 -0.51 0.00 -2.02 0.00 0.00 58.31 56.38 3dkk n LYS 513 Cb 0.57 -5.50 -0.05 0.00 -0.02 0.00 0.00 35.03 30.03 3dkk n LYS 513 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3dkk n LEU 514 N -3.83 1.01 -4.22 -0.35 7.94 -1.26 -2.80 117.00 113.48 3dkk n LEU 514 Ca -0.19 1.14 -0.33 0.00 -1.11 0.00 0.00 56.01 55.53 3dkk n LEU 514 Cb 0.64 -1.13 -0.05 0.00 0.53 0.00 0.00 43.42 43.41 3dkk n LEU 514 CO 0.62 -1.52 -0.24 0.54 -1.11 0.00 0.00 177.39 175.69 3dkk n ARG 515 N 1.79 -2.17 0.16 1.96 5.12 -1.26 -4.86 116.66 117.40 3dkk n ARG 515 Ca 0.17 0.26 -0.14 0.00 -1.93 0.00 0.00 57.85 56.21 3dkk n ARG 515 Cb 0.20 -4.43 -0.07 0.00 -1.16 0.00 0.00 32.46 27.00 3dkk n ARG 515 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dkk h ALA 516 N 0.85 -0.37 -0.13 7.54 0.00 -1.91 -0.14 119.26 125.11 3dkk h ALA 516 Ca -0.62 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3dkk h ALA 516 Cb 1.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3dkk h ALA 516 CO 0.73 -0.72 0.08 1.96 0.00 0.00 0.00 179.25 181.31 3dkk h GLN 517 N -0.38 0.17 -0.60 0.00 4.20 -1.89 -2.60 115.11 114.01 3dkk h GLN 517 Ca -0.02 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3dkk h GLN 517 Cb 0.33 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 3dkk h GLN 517 CO 0.00 0.14 0.32 1.96 -0.67 0.00 0.00 178.83 180.58 3dkk h GLN 518 N 0.15 0.59 0.00 1.46 7.50 -1.89 -2.36 115.11 120.56 3dkk h GLN 518 Ca 0.05 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.09 3dkk h GLN 518 Cb 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 3dkk h GLN 518 CO -0.01 0.39 -0.32 0.00 -1.50 0.00 0.00 178.83 177.39 3dkk h ARG 520 N 0.00 0.71 0.02 0.00 3.08 -1.22 0.93 114.38 117.91 3dkk h ARG 520 Ca -0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3dkk h ARG 520 Cb 1.08 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3dkk h ARG 520 CO 0.04 0.59 -0.01 0.35 -1.07 0.00 0.00 179.97 179.87 3dkk h PHE 521 N 0.66 -0.03 -0.24 3.04 3.57 -0.95 -2.08 116.94 120.91 3dkk h PHE 521 Ca 0.17 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3dkk h PHE 521 Cb 0.10 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3dkk h PHE 521 CO -0.01 0.00 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.44 3dkk h TRP 522 N -0.05 0.61 0.06 0.41 4.06 -0.46 -1.50 115.95 119.08 3dkk h TRP 522 Ca -0.00 -0.16 -0.29 0.00 2.06 0.00 0.00 58.89 60.50 3dkk h TRP 522 Cb 0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 3dkk h TRP 522 CO -0.07 0.81 -1.51 1.15 -3.56 0.00 0.00 178.44 175.25 3dkk h THR 523 N 0.23 1.13 0.00 1.49 2.02 0.81 -3.33 112.91 115.27 3dkk h THR 523 Ca 0.05 -2.86 -0.45 0.00 0.77 0.00 0.00 66.41 63.92 3dkk h THR 523 Cb 0.66 2.65 -0.07 0.00 -1.74 0.00 0.00 68.15 69.66 3dkk h THR 523 CO 0.04 0.75 -2.50 -1.20 0.37 0.00 0.00 175.52 172.99 3dkk n SER 524 N -3.31 1.89 -0.05 4.18 7.64 -0.79 -4.71 113.62 118.47 3dkk n SER 524 Ca -0.14 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.03 3dkk n SER 524 Cb 1.03 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 3dkk n SER 524 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3dkk h PHE 525 N -0.94 0.00 -1.02 1.43 3.57 -1.49 -3.42 116.94 115.07 3dkk h PHE 525 Ca -0.68 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.16 3dkk h PHE 525 Cb 1.60 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 40.19 3dkk h PHE 525 CO -0.08 0.00 0.59 0.35 -2.23 0.00 0.00 178.31 176.93 3dkk h PHE 526 N -0.80 0.88 0.00 0.41 3.57 -1.38 -0.48 116.94 119.14 3dkk h PHE 526 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3dkk h PHE 526 Cb 0.19 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3dkk h PHE 526 CO -0.08 -0.22 0.00 -2.30 -2.23 0.00 0.00 178.31 173.48 3dkk n PRO 527 N -5.05 0.13 -0.03 6.41 -0.02 -1.25 -2.07 135.00 133.12 3dkk n PRO 527 Ca 0.33 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 3dkk n PRO 527 Cb 1.06 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.63 3dkk n PRO 527 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dkk h LYS 528 N 0.00 0.22 0.00 -0.52 1.57 -1.34 -3.53 116.57 112.96 3dkk h LYS 528 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3dkk h LYS 528 Cb 0.18 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3dkk h LYS 528 CO 0.00 0.86 0.00 1.33 -0.57 0.00 0.00 179.45 181.07