#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsy h LEU 2 N 0.00 0.52 -0.56 4.03 5.85 -1.96 -1.15 115.31 122.04 1tsy h LEU 2 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1tsy h LEU 2 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1tsy h LEU 2 CO 0.00 0.15 0.00 -1.84 -0.34 0.00 0.00 178.44 176.41 1tsy n GLU 3 N -4.91 1.38 -0.27 1.25 0.28 -1.26 -4.28 120.64 112.82 1tsy n GLU 3 Ca 0.20 -0.55 0.16 0.00 -0.16 0.00 0.00 57.16 56.81 1tsy n GLU 3 Cb 0.55 -1.42 0.44 0.00 1.43 0.00 0.00 31.44 32.43 1tsy n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1tsy h GLN 4 N 1.24 0.54 -0.90 3.44 5.75 -1.64 -0.70 115.11 122.84 1tsy h GLN 4 Ca 0.00 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.56 1tsy h GLN 4 Cb 0.27 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 1tsy h GLN 4 CO 0.00 0.36 0.58 -1.35 -2.65 0.00 0.00 178.83 175.77 1tsy h PRO 5 N 0.55 0.90 0.02 -2.39 0.11 -1.81 0.13 132.00 129.51 1tsy h PRO 5 Ca 0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 1tsy h PRO 5 Cb 0.99 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1tsy h PRO 5 CO -0.22 0.59 -0.01 -0.92 -0.21 0.00 0.00 178.00 177.23 1tsy h TYR 6 N 0.92 -0.02 -0.97 0.65 3.20 -1.45 -0.86 116.97 118.45 1tsy h TYR 6 Ca 0.41 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.33 1tsy h TYR 6 Cb 0.36 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1tsy h TYR 6 CO -0.00 0.15 0.63 -0.07 -1.64 0.00 0.00 178.16 177.23 1tsy h LEU 7 N -0.20 1.03 -1.53 2.82 3.38 -1.35 -0.97 115.31 118.48 1tsy h LEU 7 Ca -0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1tsy h LEU 7 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1tsy h LEU 7 CO 0.00 0.68 -0.16 0.44 0.09 0.00 0.00 178.44 179.50 1tsy h ASP 8 N 1.18 0.10 -0.16 -0.43 3.32 -0.35 -1.34 116.42 118.73 1tsy h ASP 8 Ca 0.40 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 1tsy h ASP 8 Cb 0.08 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1tsy h ASP 8 CO -0.14 0.27 -0.55 0.25 -1.72 0.00 0.00 179.24 177.35 1tsy h LEU 9 N 0.10 0.76 -0.60 1.55 6.46 0.11 -1.99 115.31 121.71 1tsy h LEU 9 Ca 0.02 -0.60 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 1tsy h LEU 9 Cb 0.34 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1tsy h LEU 9 CO 0.02 1.23 0.39 0.00 -0.62 0.00 0.00 178.44 179.47 1tsy h ALA 10 N 0.55 0.76 0.28 1.25 0.00 -0.83 -1.83 119.26 119.43 1tsy h ALA 10 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1tsy h ALA 10 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1tsy h ALA 10 CO 0.12 0.19 -0.13 0.87 0.00 0.00 0.00 179.25 180.30 1tsy h LYS 11 N 0.81 -0.36 -0.85 0.00 1.57 -1.26 -2.66 116.57 113.83 1tsy h LYS 11 Ca 0.22 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.14 1tsy h LYS 11 Cb -0.09 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.22 1tsy h LYS 11 CO -0.05 -0.16 0.47 -0.22 -0.57 0.00 0.00 179.45 178.92 1tsy h LYS 12 N -0.48 0.72 0.00 3.15 3.64 -1.16 0.92 116.57 123.36 1tsy h LYS 12 Ca -0.04 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1tsy h LYS 12 Cb 0.36 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1tsy h LYS 12 CO 0.06 0.48 -0.33 0.28 -2.27 0.00 0.00 179.45 177.66 1tsy h VAL 13 N 0.74 1.02 -0.04 2.00 2.07 -1.29 0.41 116.25 121.15 1tsy h VAL 13 Ca 0.43 -1.24 -0.19 0.00 0.82 0.00 0.00 66.70 66.53 1tsy h VAL 13 Cb 0.49 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1tsy h VAL 13 CO -0.29 0.33 -0.70 -0.07 0.02 0.00 0.00 177.57 176.85 1tsy h LEU 14 N 0.00 0.69 -0.08 2.57 3.38 -0.55 -1.69 115.31 119.62 1tsy h LEU 14 Ca -0.00 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 57.20 1tsy h LEU 14 Cb 0.68 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1tsy h LEU 14 CO 0.04 1.30 -0.14 0.44 0.09 0.00 0.00 178.44 180.17 1tsy h ASP 15 N 0.14 0.27 0.00 -0.43 5.19 -0.73 -3.40 116.42 117.45 1tsy h ASP 15 Ca -0.08 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1tsy h ASP 15 Cb 1.38 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1tsy h ASP 15 CO 0.14 0.77 -0.13 -1.84 -3.12 0.00 0.00 179.24 175.06 1tsy n GLU 16 N -4.60 1.09 -2.47 3.56 0.28 0.11 -5.04 120.64 113.57 1tsy n GLU 16 Ca -0.07 -1.45 -0.42 0.00 -0.16 0.00 0.00 57.16 55.06 1tsy n GLU 16 Cb 0.37 -0.90 -0.03 0.00 1.43 0.00 0.00 31.44 32.32 1tsy n GLU 16 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1tsy s GLY 17 N -1.30 2.40 0.18 -1.84 0.00 -0.64 -4.93 107.32 101.20 1tsy s GLY 17 Ca 0.09 0.76 -0.23 0.00 0.00 0.00 0.00 44.72 45.34 1tsy s GLY 17 CO 0.01 2.04 0.74 -2.38 0.00 0.00 0.00 173.10 173.50 1tsy s HIS 18 N 1.33 3.80 0.29 1.90 -3.43 -0.58 -4.58 115.29 114.01 1tsy s HIS 18 Ca 0.57 1.50 -0.30 0.00 -0.80 0.00 0.00 55.06 56.04 1tsy s HIS 18 Cb -0.27 -2.68 -0.11 0.00 -1.43 0.00 0.00 32.58 28.08 1tsy s HIS 18 CO 0.27 0.45 1.54 0.12 -2.00 0.00 0.00 174.74 175.13 1tsy s PHE 19 N -1.29 2.80 -0.11 0.38 2.19 -1.26 -1.30 117.98 119.39 1tsy s PHE 19 Ca 0.38 0.88 -0.05 0.00 0.33 0.00 0.00 56.93 58.48 1tsy s PHE 19 Cb -0.20 -4.00 0.06 0.00 -1.31 0.00 0.00 43.02 37.56 1tsy s PHE 19 CO 0.23 -3.29 0.24 0.21 1.83 0.00 0.00 175.22 174.44 1tsy s LYS 20 N -0.64 0.13 0.54 10.12 2.20 -0.54 -4.90 119.74 126.66 1tsy s LYS 20 Ca 0.61 0.67 -0.20 0.00 -0.36 0.00 0.00 55.97 56.69 1tsy s LYS 20 Cb -0.46 -0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 35.70 1tsy s LYS 20 CO 0.48 -0.26 1.13 -1.25 -0.36 0.00 0.00 175.35 175.08 1tsy s PRO 21 N 2.16 3.40 0.28 4.03 0.04 -1.26 -2.27 135.00 141.38 1tsy s PRO 21 Ca -0.01 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1tsy s PRO 21 Cb -0.12 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1tsy s PRO 21 CO -0.08 -0.81 0.03 0.16 0.04 0.00 0.00 177.00 176.34 1tsy s ASP 22 N -1.76 2.11 0.53 6.66 -4.77 -1.26 -4.91 116.67 113.27 1tsy s ASP 22 Ca 0.72 -1.30 0.32 0.00 -3.30 0.00 0.00 52.55 48.99 1tsy s ASP 22 Cb -0.24 -0.04 1.47 0.00 -1.09 0.00 0.00 42.92 43.02 1tsy s ASP 22 CO 0.27 -0.55 1.85 0.08 0.70 0.00 0.00 175.17 177.52 1tsy h ARG 23 N 2.29 0.04 -0.05 2.11 -0.00 -2.02 0.12 114.38 116.87 1tsy h ARG 23 Ca -0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.58 1tsy h ARG 23 Cb 1.24 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1tsy h ARG 23 CO 0.67 0.03 0.00 0.25 -0.00 0.00 0.00 179.97 180.91 1tsy n THR 24 N -4.27 0.06 -0.89 0.08 -2.24 -1.26 -4.86 114.28 100.89 1tsy n THR 24 Ca 0.21 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1tsy n THR 24 Cb 1.04 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1tsy n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1tsy n HIS 25 N -0.48 -0.04 0.01 4.78 8.25 0.42 -4.81 115.22 123.35 1tsy n HIS 25 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.47 1tsy n HIS 25 Cb 0.12 -1.88 -0.09 0.00 1.12 0.00 0.00 29.99 29.26 1tsy n HIS 25 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1tsy h THR 26 N 0.00 1.17 0.00 1.59 2.02 -1.90 -3.48 112.91 112.32 1tsy h THR 26 Ca -0.06 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1tsy h THR 26 Cb 0.81 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1tsy h THR 26 CO 0.09 0.31 0.00 0.61 0.37 0.00 0.00 175.52 176.90 1tsy n GLY 27 N 0.73 3.03 3.31 2.16 0.00 -1.26 -4.74 105.19 108.41 1tsy n GLY 27 Ca -0.08 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 1tsy n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tsy s THR 28 N -0.97 0.00 -0.16 2.61 -4.23 -0.96 -1.48 115.64 110.45 1tsy s THR 28 Ca 0.00 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1tsy s THR 28 Cb 0.00 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1tsy s THR 28 CO 0.00 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.65 1tsy s TYR 29 N -4.07 2.19 0.23 3.99 1.51 0.37 -1.46 117.35 120.11 1tsy s TYR 29 Ca 0.35 -1.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.12 1tsy s TYR 29 Cb 0.05 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1tsy s TYR 29 CO 0.12 -0.68 0.03 -1.54 -1.11 0.00 0.00 175.55 172.36 1tsy s SER 30 N 1.48 1.60 0.01 2.29 1.04 -0.42 -1.29 113.70 118.41 1tsy s SER 30 Ca 0.03 -1.26 -0.00 0.00 0.48 0.00 0.00 55.95 55.19 1tsy s SER 30 Cb -0.14 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1tsy s SER 30 CO -0.10 -0.58 -0.01 0.27 0.98 0.00 0.00 173.24 173.81 1tsy s ILE 31 N -3.53 0.05 -0.23 -1.02 -4.36 -0.91 -1.52 121.20 109.67 1tsy s ILE 31 Ca 0.30 -0.42 -0.06 0.00 -0.26 0.00 0.00 60.65 60.22 1tsy s ILE 31 Cb 0.06 -0.14 -0.02 0.00 1.25 0.00 0.00 42.46 43.62 1tsy s ILE 31 CO 0.09 -0.23 0.01 0.12 0.24 0.00 0.00 174.94 175.18 1tsy s PHE 32 N -0.68 3.03 0.00 1.37 5.36 -1.26 -1.84 117.98 123.95 1tsy s PHE 32 Ca -0.07 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1tsy s PHE 32 Cb -0.05 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 1tsy s PHE 32 CO -0.00 -0.43 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 1tsy n GLY 33 N 4.80 -2.05 3.48 13.12 0.00 -0.08 -5.03 105.19 119.43 1tsy n GLY 33 Ca -0.17 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 1tsy n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1tsy s HIS 34 N 0.00 -0.60 -0.12 1.61 5.04 -1.18 -4.98 115.29 115.06 1tsy s HIS 34 Ca 0.00 0.81 -0.10 0.00 -1.54 0.00 0.00 55.06 54.23 1tsy s HIS 34 Cb 0.00 0.46 0.04 0.00 0.04 0.00 0.00 32.58 33.11 1tsy s HIS 34 CO 0.00 -0.70 0.31 -1.14 -2.34 0.00 0.00 174.74 170.88 1tsy s GLN 35 N -2.17 0.34 0.04 2.88 0.74 -1.26 -0.41 119.66 119.82 1tsy s GLN 35 Ca -0.06 0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.83 1tsy s GLN 35 Cb -0.00 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.20 1tsy s GLN 35 CO 0.01 -0.07 -0.04 0.00 -0.55 0.00 0.00 175.29 174.64 1tsy s MET 36 N 0.44 0.44 0.12 1.67 0.23 -0.73 -4.99 119.30 116.48 1tsy s MET 36 Ca -0.02 -0.80 0.06 0.00 -1.03 0.00 0.00 55.69 53.90 1tsy s MET 36 Cb -0.04 0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.25 1tsy s MET 36 CO -0.02 -0.04 -0.15 -0.98 -2.03 0.00 0.00 175.02 171.80 1tsy s ARG 37 N -2.11 1.04 -0.06 3.16 1.70 -1.26 -0.13 118.95 121.28 1tsy s ARG 37 Ca -0.09 -1.22 0.02 0.00 -0.47 0.00 0.00 55.73 53.98 1tsy s ARG 37 Cb -0.06 -0.98 0.01 0.00 -0.57 0.00 0.00 34.95 33.35 1tsy s ARG 37 CO -0.03 0.20 -0.11 -0.06 -1.08 0.00 0.00 175.30 174.22 1tsy s PHE 38 N -1.95 1.37 -0.70 5.89 0.40 -0.27 -4.94 117.98 117.78 1tsy s PHE 38 Ca 0.08 -0.50 -0.24 0.00 -0.60 0.00 0.00 56.93 55.67 1tsy s PHE 38 Cb -0.06 -1.02 0.06 0.00 0.51 0.00 0.00 43.02 42.51 1tsy s PHE 38 CO 0.03 -0.27 1.09 0.34 0.70 0.00 0.00 175.22 177.12 1tsy s ASP 39 N 0.71 6.18 0.12 1.36 -1.08 -1.26 -1.67 116.67 121.03 1tsy s ASP 39 Ca -0.14 -0.82 0.09 0.00 -0.52 0.00 0.00 52.55 51.16 1tsy s ASP 39 Cb -0.16 -2.47 0.48 0.00 -1.46 0.00 0.00 42.92 39.31 1tsy s ASP 39 CO 0.03 -1.58 1.28 0.18 0.52 0.00 0.00 175.17 175.60 1tsy n LEU 40 N 8.32 0.22 0.03 -1.34 4.77 -0.53 -0.41 117.00 128.06 1tsy n LEU 40 Ca -0.00 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1tsy n LEU 40 Cb 0.47 -0.62 0.51 0.00 -2.33 0.00 0.00 43.42 41.45 1tsy n LEU 40 CO 0.66 -0.65 0.87 -1.54 -1.33 0.00 0.00 177.39 175.41 1tsy n SER 41 N -1.79 0.29 0.01 -1.43 3.41 -1.25 -3.28 113.62 109.57 1tsy n SER 41 Ca -0.00 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.16 1tsy n SER 41 Cb 0.03 -0.48 0.08 0.00 -0.26 0.00 0.00 64.21 63.57 1tsy n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1tsy n LYS 42 N -1.73 0.11 -1.51 4.33 4.76 0.45 -5.06 118.16 119.52 1tsy n LYS 42 Ca 0.06 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1tsy n LYS 42 Cb 0.37 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1tsy n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tsy n GLY 43 N 1.45 -0.45 3.69 0.72 0.00 -1.21 -4.86 105.19 104.53 1tsy n GLY 43 Ca 0.04 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1tsy n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tsy s PHE 44 N -1.42 3.39 -0.46 1.61 5.36 -0.02 -4.51 117.98 121.93 1tsy s PHE 44 Ca 0.00 0.51 -0.06 0.00 -0.96 0.00 0.00 56.93 56.43 1tsy s PHE 44 Cb 0.00 -2.40 -0.15 0.00 -0.34 0.00 0.00 43.02 40.13 1tsy s PHE 44 CO 0.00 0.09 2.69 -0.35 -1.46 0.00 0.00 175.22 176.19 1tsy n PRO 45 N 4.14 1.97 -3.68 10.12 -0.04 -1.26 -4.06 135.00 142.19 1tsy n PRO 45 Ca -0.11 -1.13 -0.37 0.00 -0.04 0.00 0.00 63.50 61.85 1tsy n PRO 45 Cb 0.52 -2.15 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 1tsy n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1tsy s LEU 46 N 0.05 4.00 0.30 1.53 2.96 -1.26 -4.46 118.68 121.81 1tsy s LEU 46 Ca 0.51 0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 54.18 1tsy s LEU 46 Cb 0.20 -2.08 -0.13 0.00 0.50 0.00 0.00 46.19 44.67 1tsy s LEU 46 CO -0.02 0.03 1.17 0.18 -1.32 0.00 0.00 176.35 176.40 1tsy n LEU 47 N 4.51 2.67 -0.04 -0.68 4.77 -1.26 -4.75 117.00 122.22 1tsy n LEU 47 Ca -0.15 1.19 -0.01 0.00 -0.03 0.00 0.00 56.01 57.01 1tsy n LEU 47 Cb 0.52 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.11 1tsy n LEU 47 CO 0.34 -0.91 -0.84 0.35 -1.33 0.00 0.00 177.39 175.00 1tsy n THR 48 N 0.47 0.56 1.06 -5.08 -2.24 -1.26 -4.36 114.28 103.43 1tsy n THR 48 Ca 0.08 -0.49 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 1tsy n THR 48 Cb 0.33 -0.30 0.11 0.00 -2.10 0.00 0.00 70.33 68.38 1tsy n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tsy n THR 49 N -2.31 0.00 -3.64 4.28 -2.24 -1.26 -0.35 114.28 108.75 1tsy n THR 49 Ca -0.14 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1tsy n THR 49 Cb 0.72 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1tsy n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1tsy s LYS 50 N -2.00 0.23 -0.04 -0.78 2.20 -1.26 -4.68 119.74 113.41 1tsy s LYS 50 Ca 0.06 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 1tsy s LYS 50 Cb 0.03 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1tsy s LYS 50 CO 0.04 -0.03 1.25 0.21 -0.36 0.00 0.00 175.35 176.46 1tsy s LYS 51 N 0.21 4.34 -0.09 4.03 2.20 -1.07 -4.64 119.74 124.72 1tsy s LYS 51 Ca 0.04 1.74 0.04 0.00 -0.36 0.00 0.00 55.97 57.44 1tsy s LYS 51 Cb -0.05 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1tsy s LYS 51 CO -0.12 -0.47 -0.24 0.08 -0.36 0.00 0.00 175.35 174.24 1tsy s VAL 52 N 2.23 2.03 -0.89 4.02 1.01 -1.26 -4.72 120.40 122.82 1tsy s VAL 52 Ca 0.58 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1tsy s VAL 52 Cb -0.26 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1tsy s VAL 52 CO 0.23 0.56 1.76 -2.16 0.00 0.00 0.00 175.10 175.49 1tsy s PRO 53 N 0.25 2.88 0.55 2.72 0.04 -1.26 -4.82 135.00 135.35 1tsy s PRO 53 Ca -0.16 -0.40 0.24 0.00 0.04 0.00 0.00 61.00 60.72 1tsy s PRO 53 Cb -0.17 -5.00 1.55 0.00 0.04 0.00 0.00 34.50 30.91 1tsy s PRO 53 CO 0.08 -2.91 2.19 0.35 0.04 0.00 0.00 177.00 176.75 1tsy h PHE 54 N 11.27 0.00 -0.82 0.56 3.57 -2.00 -2.05 116.94 127.48 1tsy h PHE 54 Ca 0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1tsy h PHE 54 Cb 1.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1tsy h PHE 54 CO 1.21 0.02 0.49 0.78 -2.23 0.00 0.00 178.31 178.58 1tsy h GLY 55 N 0.10 1.19 2.00 2.40 0.00 -2.00 0.41 103.07 107.18 1tsy h GLY 55 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1tsy h GLY 55 CO 0.00 0.49 -0.28 1.41 0.00 0.00 0.00 176.54 178.16 1tsy h LEU 56 N 1.13 0.00 0.01 3.11 3.38 -1.77 -2.08 115.31 119.08 1tsy h LEU 56 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1tsy h LEU 56 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1tsy h LEU 56 CO -0.05 0.28 -0.00 0.40 0.09 0.00 0.00 178.44 179.16 1tsy h ILE 57 N 0.00 1.57 -0.53 1.22 2.04 -1.20 -2.85 117.51 117.76 1tsy h ILE 57 Ca -0.00 -1.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 1tsy h ILE 57 Cb 0.55 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 1tsy h ILE 57 CO 0.04 0.45 0.11 0.07 0.00 0.00 0.00 178.15 178.82 1tsy h LYS 58 N -0.77 0.87 0.18 2.37 2.10 -0.88 -1.24 116.57 119.19 1tsy h LYS 58 Ca -0.00 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.42 1tsy h LYS 58 Cb 0.75 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1tsy h LYS 58 CO 0.00 0.83 -0.08 0.66 -2.00 0.00 0.00 179.45 178.86 1tsy h SER 59 N 0.76 -0.20 -1.00 7.07 4.64 -1.50 -1.29 113.55 122.02 1tsy h SER 59 Ca 0.17 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1tsy h SER 59 Cb 0.37 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 1tsy h SER 59 CO 0.01 -0.03 0.65 -0.08 -0.87 0.00 0.00 176.83 176.51 1tsy h GLU 60 N -0.36 1.22 -0.19 4.77 4.81 -1.47 -0.18 114.58 123.18 1tsy h GLU 60 Ca -0.02 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1tsy h GLU 60 Cb 0.28 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1tsy h GLU 60 CO 0.04 0.81 0.06 1.25 -0.73 0.00 0.00 179.01 180.44 1tsy h LEU 61 N 1.26 0.27 -0.92 1.64 5.85 -0.99 -1.42 115.31 121.00 1tsy h LEU 61 Ca 0.40 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1tsy h LEU 61 Cb 0.02 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1tsy h LEU 61 CO -0.13 0.39 0.60 -0.07 -0.34 0.00 0.00 178.44 178.89 1tsy h LEU 62 N 0.13 1.00 -0.38 2.25 3.38 -0.71 0.44 115.31 121.42 1tsy h LEU 62 Ca 0.06 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1tsy h LEU 62 Cb 0.22 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1tsy h LEU 62 CO -0.00 0.69 -0.07 -0.25 0.09 0.00 0.00 178.44 178.90 1tsy h TRP 63 N 1.17 -0.15 0.38 1.13 7.01 -0.68 0.50 115.95 125.31 1tsy h TRP 63 Ca 0.36 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.38 1tsy h TRP 63 Cb -0.01 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1tsy h TRP 63 CO -0.01 -0.14 -0.23 0.74 -2.79 0.00 0.00 178.44 176.01 1tsy h PHE 64 N 0.03 -0.61 -0.90 2.65 0.04 -0.10 -2.76 116.94 115.30 1tsy h PHE 64 Ca 0.19 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 61.16 1tsy h PHE 64 Cb 0.28 0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 1tsy h PHE 64 CO -0.32 -0.36 0.60 -0.07 -0.60 0.00 0.00 178.31 177.56 1tsy h LEU 65 N -0.58 0.34 -0.03 1.54 3.38 -0.26 0.24 115.31 119.94 1tsy h LEU 65 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tsy h LEU 65 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1tsy h LEU 65 CO 0.04 0.13 0.00 1.41 0.09 0.00 0.00 178.44 180.11 1tsy n HIS 66 N -4.48 0.10 -1.05 1.13 8.25 0.10 -4.86 115.22 114.41 1tsy n HIS 66 Ca 0.19 0.03 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 1tsy n HIS 66 Cb 0.74 -0.55 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1tsy n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tsy n GLY 67 N 0.85 0.53 3.79 -1.41 0.00 0.84 -5.00 105.19 104.79 1tsy n GLY 67 Ca 0.05 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1tsy n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tsy s ASP 68 N -2.59 6.26 0.00 1.61 -1.08 -1.07 -4.28 116.67 115.52 1tsy s ASP 68 Ca 0.00 1.98 0.00 0.00 -0.52 0.00 0.00 52.55 54.01 1tsy s ASP 68 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1tsy s ASP 68 CO 0.00 -0.84 0.11 0.35 0.52 0.00 0.00 175.17 175.31 1tsy n THR 69 N -0.96 0.01 -3.67 1.71 -2.24 -1.26 -4.18 114.28 103.69 1tsy n THR 69 Ca 0.09 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1tsy n THR 69 Cb 0.52 1.80 -0.10 0.00 -2.10 0.00 0.00 70.33 70.44 1tsy n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1tsy s ASN 70 N -0.01 5.96 0.45 3.42 3.84 -1.26 -0.78 114.94 126.56 1tsy s ASN 70 Ca 0.00 0.04 0.20 0.00 0.21 0.00 0.00 52.86 53.31 1tsy s ASN 70 Cb 0.00 -2.08 1.16 0.00 -0.55 0.00 0.00 41.25 39.78 1tsy s ASN 70 CO 0.00 0.03 1.89 0.40 -2.79 0.00 0.00 177.10 176.63 1tsy h ILE 71 N 5.17 0.69 -0.95 -5.21 2.04 -0.91 -2.82 117.51 115.52 1tsy h ILE 71 Ca -0.37 -0.11 0.32 0.00 1.00 0.00 0.00 64.86 65.70 1tsy h ILE 71 Cb 1.18 0.35 -0.17 0.00 -0.74 0.00 0.00 36.82 37.43 1tsy h ILE 71 CO 0.62 0.06 0.21 -1.14 0.00 0.00 0.00 178.15 177.90 1tsy n ARG 72 N -4.46 -0.07 -0.02 2.37 0.63 -1.26 0.93 116.66 114.79 1tsy n ARG 72 Ca 0.17 1.38 -0.10 0.00 -0.92 0.00 0.00 57.85 58.38 1tsy n ARG 72 Cb 0.69 -2.30 -0.04 0.00 0.45 0.00 0.00 32.46 31.26 1tsy n ARG 72 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1tsy h PHE 73 N 0.00 0.03 0.37 -0.14 3.57 -1.90 -1.47 116.94 117.40 1tsy h PHE 73 Ca 0.67 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.16 1tsy h PHE 73 Cb 1.56 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 1tsy h PHE 73 CO -0.30 0.00 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.50 1tsy h LEU 74 N 0.07 -0.54 -1.59 0.59 3.38 0.36 -2.47 115.31 115.12 1tsy h LEU 74 Ca 0.06 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1tsy h LEU 74 Cb 0.06 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1tsy h LEU 74 CO -0.09 -0.35 0.46 -0.07 0.09 0.00 0.00 178.44 178.48 1tsy h LEU 75 N -0.55 0.40 -2.68 1.67 3.38 -1.20 0.58 115.31 116.90 1tsy h LEU 75 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1tsy h LEU 75 Cb 0.45 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1tsy h LEU 75 CO 0.05 0.22 -0.01 1.56 0.09 0.00 0.00 178.44 180.35 1tsy h GLN 76 N 0.43 0.00 -0.33 1.13 4.20 -0.79 0.54 115.11 120.29 1tsy h GLN 76 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1tsy h GLN 76 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1tsy h GLN 76 CO -0.10 0.01 0.00 0.72 -0.67 0.00 0.00 178.83 178.79 1tsy n HIS 77 N -3.31 0.73 -1.24 2.96 8.25 0.19 -4.95 115.22 117.85 1tsy n HIS 77 Ca -0.03 -0.66 -0.08 0.00 -0.26 0.00 0.00 57.72 56.69 1tsy n HIS 77 Cb 0.10 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 1tsy n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1tsy n ARG 78 N 0.13 -1.31 -2.99 -0.41 1.74 0.18 -4.94 116.66 109.07 1tsy n ARG 78 Ca 0.17 0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 57.55 1tsy n ARG 78 Cb 0.65 -4.90 -0.06 0.00 -1.02 0.00 0.00 32.46 27.14 1tsy n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1tsy s ASN 79 N -2.43 6.42 -0.06 0.55 3.84 -0.60 -4.91 114.94 117.74 1tsy s ASN 79 Ca 0.00 -0.07 0.18 0.00 0.21 0.00 0.00 52.86 53.18 1tsy s ASN 79 Cb 0.00 -2.38 0.61 0.00 -0.55 0.00 0.00 41.25 38.93 1tsy s ASN 79 CO 0.00 -0.86 1.52 1.41 -2.79 0.00 0.00 177.10 176.37 1tsy n HIS 80 N 6.60 1.10 -0.04 0.43 8.25 -1.26 -3.71 115.22 126.58 1tsy n HIS 80 Ca 0.02 -0.57 0.24 0.00 -0.26 0.00 0.00 57.72 57.15 1tsy n HIS 80 Cb 0.48 -0.13 0.71 0.00 1.12 0.00 0.00 29.99 32.17 1tsy n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1tsy h ILE 81 N 3.60 0.41 -0.01 1.59 2.04 -1.98 -2.45 117.51 120.72 1tsy h ILE 81 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1tsy h ILE 81 Cb 1.17 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1tsy h ILE 81 CO 0.11 0.00 -0.15 0.79 0.00 0.00 0.00 178.15 178.91 1tsy n TRP 82 N -3.90 0.00 -0.19 1.37 7.02 -1.26 -4.74 117.44 115.74 1tsy n TRP 82 Ca 0.13 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.55 1tsy n TRP 82 Cb 0.83 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.72 1tsy n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1tsy h ASP 83 N 1.30 -1.18 -1.24 -0.99 5.19 -1.77 -0.57 116.42 117.16 1tsy h ASP 83 Ca 0.00 0.22 0.41 0.00 -0.62 0.00 0.00 57.03 57.04 1tsy h ASP 83 Cb 0.35 0.58 -0.13 0.00 0.18 0.00 0.00 39.33 40.30 1tsy h ASP 83 CO 0.00 -0.31 0.79 -0.33 -3.12 0.00 0.00 179.24 176.27 1tsy h GLU 84 N -0.18 0.12 -0.17 3.56 4.39 -1.85 0.15 114.58 120.60 1tsy h GLU 84 Ca 0.22 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 1tsy h GLU 84 Cb 0.55 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1tsy h GLU 84 CO -0.66 0.08 -0.32 -1.49 -1.16 0.00 0.00 179.01 175.46 1tsy h TRP 85 N 0.12 0.66 -0.10 4.33 4.06 -1.45 -2.72 115.95 120.85 1tsy h TRP 85 Ca 0.80 -0.24 -0.17 0.00 2.06 0.00 0.00 58.89 61.34 1tsy h TRP 85 Cb 2.38 -0.12 0.01 0.00 -1.00 0.00 0.00 29.16 30.43 1tsy h TRP 85 CO -0.01 0.96 -0.59 0.00 -3.56 0.00 0.00 178.44 175.24 1tsy h ALA 86 N 0.58 0.21 -0.79 1.49 0.00 -0.81 -3.18 119.26 116.76 1tsy h ALA 86 Ca 0.01 -0.54 0.12 0.00 0.00 0.00 0.00 54.91 54.50 1tsy h ALA 86 Cb 0.92 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1tsy h ALA 86 CO 0.07 0.46 0.52 0.35 0.00 0.00 0.00 179.25 180.65 1tsy h PHE 87 N 0.21 0.68 -0.26 0.00 3.57 -0.96 -1.98 116.94 118.19 1tsy h PHE 87 Ca -0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1tsy h PHE 87 Cb 1.24 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1tsy h PHE 87 CO 0.11 0.29 0.13 1.49 -2.23 0.00 0.00 178.31 178.09 1tsy h GLU 88 N 0.60 0.27 -0.06 1.11 4.81 -1.46 -1.83 114.58 118.03 1tsy h GLU 88 Ca 0.38 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1tsy h GLU 88 Cb 0.63 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1tsy h GLU 88 CO -0.14 0.18 -0.10 0.87 -0.73 0.00 0.00 179.01 179.08 1tsy h LYS 89 N 0.27 -0.14 -0.23 1.92 1.57 -1.46 -1.78 116.57 116.72 1tsy h LYS 89 Ca 0.11 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1tsy h LYS 89 Cb 0.03 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1tsy h LYS 89 CO -0.08 -0.09 -0.36 2.35 -0.57 0.00 0.00 179.45 180.70 1tsy h TRP 90 N -0.14 -1.01 -0.95 -1.35 -0.00 -1.30 -1.26 115.95 109.94 1tsy h TRP 90 Ca 0.06 0.05 0.16 0.00 -0.00 0.00 0.00 58.89 59.16 1tsy h TRP 90 Cb 0.22 0.48 -0.10 0.00 -0.00 0.00 0.00 29.16 29.76 1tsy h TRP 90 CO -0.19 -0.42 0.55 0.28 -0.00 0.00 0.00 178.44 178.66 1tsy h VAL 91 N -0.38 0.74 -0.37 2.65 2.07 -0.92 -0.41 116.25 119.64 1tsy h VAL 91 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1tsy h VAL 91 Cb 0.57 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1tsy h VAL 91 CO -0.44 0.14 0.00 0.29 0.02 0.00 0.00 177.57 177.58 1tsy n LYS 92 N -4.78 2.41 -2.95 1.57 5.02 -0.56 -4.80 118.16 114.07 1tsy n LYS 92 Ca 0.20 -1.56 -0.26 0.00 -2.02 0.00 0.00 58.31 54.67 1tsy n LYS 92 Cb 0.49 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1tsy n LYS 92 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1tsy s SER 93 N -0.77 6.30 0.34 4.39 1.04 -0.16 -4.98 113.70 119.86 1tsy s SER 93 Ca 0.28 0.76 0.27 0.00 0.48 0.00 0.00 55.95 57.74 1tsy s SER 93 Cb 0.17 -2.17 0.95 0.00 0.10 0.00 0.00 66.02 65.07 1tsy s SER 93 CO 0.15 -0.45 1.78 0.44 0.98 0.00 0.00 173.24 176.14 1tsy h ASP 94 N 0.55 0.00 1.58 7.02 3.32 -1.91 -2.46 116.42 124.51 1tsy h ASP 94 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1tsy h ASP 94 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1tsy h ASP 94 CO 0.62 0.00 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.38 1tsy h GLU 95 N 0.00 0.00 -6.40 3.56 5.08 -1.93 -3.44 114.58 111.44 1tsy h GLU 95 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1tsy h GLU 95 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1tsy h GLU 95 CO 0.00 0.08 1.06 -0.47 -1.00 0.00 0.00 179.01 178.68 1tsy s TYR 96 N -3.21 2.39 -0.41 4.33 5.04 -0.93 -4.95 117.35 119.63 1tsy s TYR 96 Ca 0.04 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 1tsy s TYR 96 Cb 0.07 -4.10 0.13 0.00 0.35 0.00 0.00 41.96 38.41 1tsy s TYR 96 CO 0.72 -2.15 0.22 -1.01 -1.34 0.00 0.00 175.55 171.99 1tsy s HIS 97 N 5.14 1.68 0.00 4.97 3.76 -1.26 -4.89 115.29 124.69 1tsy s HIS 97 Ca 0.63 -2.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.36 1tsy s HIS 97 Cb -0.17 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.85 1tsy s HIS 97 CO 0.29 -0.80 0.00 0.41 -0.85 0.00 0.00 174.74 173.78 1tsy n GLY 98 N 3.79 1.92 3.63 -2.22 0.00 -1.26 -5.14 105.19 105.91 1tsy n GLY 98 Ca 0.08 -0.89 -0.49 0.00 0.00 0.00 0.00 46.02 44.73 1tsy n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tsy n PRO 99 N 0.00 1.62 -1.67 1.61 -0.04 -1.26 -4.85 135.00 130.42 1tsy n PRO 99 Ca 0.00 0.58 -0.46 0.00 -0.04 0.00 0.00 63.50 63.59 1tsy n PRO 99 Cb 0.00 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 1tsy n PRO 99 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1tsy n ASP 100 N 2.78 3.72 -1.77 3.54 2.03 -1.26 -4.87 116.55 120.72 1tsy n ASP 100 Ca 0.17 0.91 0.02 0.00 0.52 0.00 0.00 54.79 56.40 1tsy n ASP 100 Cb 0.25 -1.44 0.34 0.00 -0.72 0.00 0.00 41.12 39.55 1tsy n ASP 100 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1tsy n MET 101 N 7.14 4.06 -1.59 -0.67 2.81 -1.26 -5.02 117.12 122.58 1tsy n MET 101 Ca 0.22 -3.10 -0.50 0.00 -1.81 0.00 0.00 57.70 52.51 1tsy n MET 101 Cb 0.35 -2.18 -0.05 0.00 -0.71 0.00 0.00 33.22 30.63 1tsy n MET 101 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1tsy n THR 102 N 0.08 0.29 -2.65 2.03 -1.04 -1.26 -1.19 114.28 110.55 1tsy n THR 102 Ca 0.32 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 62.14 1tsy n THR 102 Cb 1.23 -0.89 -0.01 0.00 -1.82 0.00 0.00 70.33 68.84 1tsy n THR 102 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1tsy n ASP 103 N 2.42 -3.17 -0.39 8.00 8.00 -1.26 -4.82 116.55 125.33 1tsy n ASP 103 Ca 0.17 0.14 0.31 0.00 0.71 0.00 0.00 54.79 56.12 1tsy n ASP 103 Cb 0.22 -2.71 0.61 0.00 -0.02 0.00 0.00 41.12 39.21 1tsy n ASP 103 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1tsy h PHE 104 N -0.19 0.51 -0.14 1.24 -5.15 -1.55 0.32 116.94 111.99 1tsy h PHE 104 Ca -0.25 0.02 0.04 0.00 -0.20 0.00 0.00 57.97 57.58 1tsy h PHE 104 Cb 1.18 -0.14 -0.07 0.00 0.22 0.00 0.00 35.95 37.15 1tsy h PHE 104 CO 0.74 -0.07 -0.39 0.78 -2.00 0.00 0.00 178.31 177.37 1tsy h GLY 105 N 0.20 -0.63 0.00 6.09 0.00 -1.87 -0.89 103.07 105.97 1tsy h GLY 105 Ca 0.71 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.52 1tsy h GLY 105 CO -0.32 -0.22 -1.32 -2.39 0.00 0.00 0.00 176.54 172.29 1tsy n HIS 106 N -5.43 0.00 0.00 5.60 1.44 -1.03 -3.90 115.22 111.89 1tsy n HIS 106 Ca -0.04 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.64 1tsy n HIS 106 Cb 0.35 -0.17 0.19 0.00 0.12 0.00 0.00 29.99 30.48 1tsy n HIS 106 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1tsy h ARG 107 N 0.00 0.52 -0.00 -1.40 9.65 -0.82 -1.07 114.38 121.25 1tsy h ARG 107 Ca 0.00 -0.19 -0.14 0.00 -1.10 0.00 0.00 59.98 58.55 1tsy h ARG 107 Cb 0.66 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 1tsy h ARG 107 CO 0.00 0.72 -0.65 0.66 2.80 0.00 0.00 179.97 183.50 1tsy h SER 108 N 0.46 0.03 0.63 -3.80 4.64 -1.32 -2.57 113.55 111.62 1tsy h SER 108 Ca 0.07 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1tsy h SER 108 Cb 0.65 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1tsy h SER 108 CO 0.05 0.67 -0.00 1.56 -0.87 0.00 0.00 176.83 178.23 1tsy h GLN 109 N 0.02 0.00 -0.12 4.77 4.20 -1.34 -2.97 115.11 119.67 1tsy h GLN 109 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1tsy h GLN 109 Cb 1.15 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 1tsy h GLN 109 CO 0.09 0.00 -0.47 0.36 -0.67 0.00 0.00 178.83 178.14 1tsy n LYS 110 N -3.10 1.80 -3.15 1.46 2.85 -0.83 -4.95 118.16 112.24 1tsy n LYS 110 Ca -0.01 -3.37 0.05 0.00 -1.05 0.00 0.00 58.31 53.93 1tsy n LYS 110 Cb 0.22 -1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 32.88 1tsy n LYS 110 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1tsy s ASP 111 N -3.17 -0.64 0.47 -5.58 -1.08 -1.12 -5.03 116.67 100.52 1tsy s ASP 111 Ca 0.40 0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.81 1tsy s ASP 111 Cb 0.38 1.47 1.14 0.00 -1.46 0.00 0.00 42.92 44.45 1tsy s ASP 111 CO -0.05 -0.12 2.04 -0.65 0.52 0.00 0.00 175.17 176.91 1tsy h PRO 112 N 7.71 0.24 0.03 4.34 0.11 -1.91 -0.25 132.00 142.26 1tsy h PRO 112 Ca -0.11 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.70 1tsy h PRO 112 Cb 1.18 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1tsy h PRO 112 CO -0.04 0.16 -1.58 0.93 -0.21 0.00 0.00 178.00 177.25 1tsy h GLU 113 N 0.24 0.05 -0.37 1.05 4.39 -1.96 -3.15 114.58 114.84 1tsy h GLU 113 Ca 0.18 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1tsy h GLU 113 Cb 0.42 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1tsy h GLU 113 CO -0.04 0.72 -0.02 0.35 -1.16 0.00 0.00 179.01 178.87 1tsy h PHE 114 N 0.01 0.74 -0.01 4.33 3.04 -1.75 -1.05 116.94 122.25 1tsy h PHE 114 Ca -0.24 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.57 1tsy h PHE 114 Cb 1.97 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 40.29 1tsy h PHE 114 CO 0.01 0.78 0.02 0.00 -2.02 0.00 0.00 178.31 177.11 1tsy h ALA 115 N 0.86 1.15 0.07 2.41 0.00 -1.17 0.15 119.26 122.73 1tsy h ALA 115 Ca 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tsy h ALA 115 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1tsy h ALA 115 CO 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1tsy h ALA 116 N 1.96 -0.10 -0.17 0.00 0.00 -1.16 0.08 119.26 119.87 1tsy h ALA 116 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1tsy h ALA 116 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1tsy h ALA 116 CO -0.00 -0.18 -0.28 -0.24 0.00 0.00 0.00 179.25 178.55 1tsy h VAL 117 N -0.86 1.26 -0.08 0.00 3.04 -1.00 -1.99 116.25 116.61 1tsy h VAL 117 Ca -0.01 -1.25 -0.02 0.00 -1.01 0.00 0.00 66.70 64.40 1tsy h VAL 117 Cb 0.60 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1tsy h VAL 117 CO 0.02 0.39 -0.03 0.22 -1.01 0.00 0.00 177.57 177.15 1tsy h TYR 118 N 0.29 0.19 0.00 3.17 3.20 -0.79 -1.47 116.97 121.57 1tsy h TYR 118 Ca 0.04 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1tsy h TYR 118 Cb 0.66 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1tsy h TYR 118 CO 0.01 0.52 0.00 1.25 -1.64 0.00 0.00 178.16 178.31 1tsy h HIS 119 N -0.19 0.00 0.11 -3.82 2.76 -0.84 -1.73 115.15 111.43 1tsy h HIS 119 Ca 0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1tsy h HIS 119 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1tsy h HIS 119 CO 0.06 0.00 -0.05 1.49 -1.30 0.00 0.00 177.93 178.13 1tsy h GLU 120 N 0.00 -0.14 -1.00 5.26 4.81 -1.00 -2.66 114.58 119.86 1tsy h GLU 120 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1tsy h GLU 120 Cb 0.32 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 1tsy h GLU 120 CO 0.00 0.17 0.64 0.93 -0.73 0.00 0.00 179.01 180.02 1tsy h GLU 121 N -0.99 1.03 -0.31 1.92 4.39 -1.08 -1.56 114.58 117.97 1tsy h GLU 121 Ca -0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1tsy h GLU 121 Cb 0.37 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1tsy h GLU 121 CO 0.02 0.68 0.14 1.98 -1.16 0.00 0.00 179.01 180.67 1tsy h MET 122 N 1.06 0.46 -0.17 2.33 4.05 -1.43 0.08 114.93 121.31 1tsy h MET 122 Ca 0.47 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1tsy h MET 122 Cb 0.36 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1tsy h MET 122 CO -0.23 0.46 0.05 0.00 0.23 0.00 0.00 176.91 177.42 1tsy h ALA 123 N 0.98 1.77 0.08 0.39 0.00 -0.94 -0.89 119.26 120.66 1tsy h ALA 123 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tsy h ALA 123 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tsy h ALA 123 CO -0.01 0.18 -0.04 -0.22 0.00 0.00 0.00 179.25 179.17 1tsy h LYS 124 N 0.24 -0.10 -0.68 0.00 3.64 -0.91 -2.97 116.57 115.79 1tsy h LYS 124 Ca 0.06 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1tsy h LYS 124 Cb 0.08 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.82 1tsy h LYS 124 CO -0.00 0.45 0.11 0.35 -2.27 0.00 0.00 179.45 178.08 1tsy h PHE 125 N -0.77 0.15 0.00 1.91 3.57 -0.59 0.21 116.94 121.41 1tsy h PHE 125 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1tsy h PHE 125 Cb 0.60 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1tsy h PHE 125 CO 0.12 -0.11 -0.16 -0.44 -2.23 0.00 0.00 178.31 175.49 1tsy h ASP 126 N 0.21 0.00 -0.12 0.41 3.32 -1.24 -2.34 116.42 116.66 1tsy h ASP 126 Ca 0.37 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 1tsy h ASP 126 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1tsy h ASP 126 CO -0.50 0.16 -0.28 -0.78 -1.72 0.00 0.00 179.24 176.12 1tsy h ASP 127 N 0.00 0.46 -0.23 6.45 3.58 -0.46 -2.53 116.42 123.69 1tsy h ASP 127 Ca -0.00 -0.57 0.01 0.00 0.42 0.00 0.00 57.03 56.89 1tsy h ASP 127 Cb 0.30 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1tsy h ASP 127 CO 0.02 0.95 0.12 0.03 -2.88 0.00 0.00 179.24 177.47 1tsy h ARG 128 N -0.01 0.24 -0.72 0.28 2.47 -1.00 -1.08 114.38 114.57 1tsy h ARG 128 Ca 0.00 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1tsy h ARG 128 Cb 0.88 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.11 1tsy h ARG 128 CO 0.06 0.16 0.47 0.28 0.56 0.00 0.00 179.97 181.50 1tsy h VAL 129 N 0.25 1.10 -0.01 2.04 2.07 -1.48 0.87 116.25 121.08 1tsy h VAL 129 Ca 0.09 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1tsy h VAL 129 Cb 0.02 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1tsy h VAL 129 CO -0.06 0.16 -0.59 -0.07 0.02 0.00 0.00 177.57 177.03 1tsy h LEU 130 N 0.86 0.04 0.00 2.57 3.38 -0.92 -3.40 115.31 117.84 1tsy h LEU 130 Ca 0.29 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1tsy h LEU 130 Cb 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1tsy h LEU 130 CO -0.08 0.62 -1.24 1.41 0.09 0.00 0.00 178.44 179.23 1tsy n HIS 131 N -3.85 0.00 -2.74 1.13 8.25 -0.48 -4.92 115.22 112.61 1tsy n HIS 131 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1tsy n HIS 131 Cb 0.59 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 1tsy n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1tsy s ASP 132 N -4.45 6.54 0.31 0.41 -1.08 0.30 -4.90 116.67 113.79 1tsy s ASP 132 Ca -0.06 -1.68 0.07 0.00 -0.52 0.00 0.00 52.55 50.37 1tsy s ASP 132 Cb 0.02 -2.48 0.83 0.00 -1.46 0.00 0.00 42.92 39.82 1tsy s ASP 132 CO 0.10 -1.31 1.72 0.44 0.52 0.00 0.00 175.17 176.63 1tsy h ASP 133 N 9.35 0.55 0.02 -0.34 3.32 -1.85 -0.15 116.42 127.31 1tsy h ASP 133 Ca 0.15 0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 1tsy h ASP 133 Cb 1.02 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1tsy h ASP 133 CO 1.27 0.06 -0.40 0.00 -1.72 0.00 0.00 179.24 178.45 1tsy h ALA 134 N 1.72 0.91 -0.20 3.45 0.00 -1.93 -1.26 119.26 121.94 1tsy h ALA 134 Ca 0.61 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1tsy h ALA 134 Cb 1.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1tsy h ALA 134 CO -0.50 0.63 -0.21 0.35 0.00 0.00 0.00 179.25 179.53 1tsy h PHE 135 N 0.41 0.60 -0.27 0.00 3.57 -1.41 -2.78 116.94 117.06 1tsy h PHE 135 Ca 0.04 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.38 1tsy h PHE 135 Cb 0.88 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1tsy h PHE 135 CO 0.03 0.86 0.11 0.00 -2.23 0.00 0.00 178.31 177.08 1tsy h ALA 136 N 0.64 0.32 -0.18 2.41 0.00 -1.08 0.49 119.26 121.86 1tsy h ALA 136 Ca 0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1tsy h ALA 136 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1tsy h ALA 136 CO 0.05 -0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.18 1tsy h ALA 137 N 1.15 1.93 0.08 0.00 0.00 -1.18 0.67 119.26 121.92 1tsy h ALA 137 Ca 0.12 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.65 1tsy h ALA 137 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1tsy h ALA 137 CO -0.10 -0.26 -2.09 1.17 0.00 0.00 0.00 179.25 177.96 1tsy n LYS 138 N -4.06 0.71 -0.00 0.00 4.81 -0.45 -4.54 118.16 114.62 1tsy n LYS 138 Ca 0.02 0.25 0.03 0.00 -0.87 0.00 0.00 58.31 57.74 1tsy n LYS 138 Cb 0.30 -1.65 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 1tsy n LYS 138 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1tsy n TYR 139 N -3.52 0.00 0.98 5.64 4.01 0.16 -4.60 117.16 119.83 1tsy n TYR 139 Ca -0.37 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.51 1tsy n TYR 139 Cb 1.00 -0.14 0.51 0.00 -0.31 0.00 0.00 39.34 40.40 1tsy n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tsy n GLY 140 N 2.16 -1.44 3.50 2.72 0.00 0.23 -4.73 105.19 107.62 1tsy n GLY 140 Ca -0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1tsy n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tsy s ASP 141 N -3.07 6.20 0.48 1.61 2.15 -1.10 -0.12 116.67 122.82 1tsy s ASP 141 Ca 0.13 -0.58 0.26 0.00 0.43 0.00 0.00 52.55 52.79 1tsy s ASP 141 Cb 0.18 -2.22 1.19 0.00 -0.30 0.00 0.00 42.92 41.77 1tsy s ASP 141 CO 0.58 -0.54 1.95 -0.07 -0.17 0.00 0.00 175.17 176.92 1tsy h LEU 142 N 9.00 0.00 0.00 -1.34 3.38 -1.25 -3.48 115.31 121.63 1tsy h LEU 142 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1tsy h LEU 142 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1tsy h LEU 142 CO 0.78 0.17 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1tsy n GLY 143 N -0.25 2.18 3.45 0.83 0.00 -1.26 -4.65 105.19 105.50 1tsy n GLY 143 Ca -0.01 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 1tsy n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tsy s LEU 144 N 0.00 5.12 0.12 0.99 1.43 -1.26 -4.64 118.68 120.43 1tsy s LEU 144 Ca 0.00 -2.38 -0.01 0.00 -1.03 0.00 0.00 54.13 50.72 1tsy s LEU 144 Cb 0.00 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1tsy s LEU 144 CO 0.00 -0.94 0.03 0.54 0.23 0.00 0.00 176.35 176.21 1tsy s VAL 145 N 2.23 0.22 0.19 -1.59 0.11 -1.26 -5.03 120.40 115.26 1tsy s VAL 145 Ca 0.35 -1.90 -0.06 0.00 -2.93 0.00 0.00 61.98 57.44 1tsy s VAL 145 Cb -0.04 -1.94 0.29 0.00 -1.53 0.00 0.00 36.38 33.16 1tsy s VAL 145 CO -0.06 -0.59 1.05 -1.22 -3.33 0.00 0.00 175.10 170.95 1tsy n TYR 146 N -0.07 0.22 -0.26 1.54 4.01 -1.26 -0.98 117.16 120.35 1tsy n TYR 146 Ca -0.08 0.83 0.07 0.00 -0.16 0.00 0.00 57.90 58.56 1tsy n TYR 146 Cb 0.63 -0.88 0.20 0.00 -0.31 0.00 0.00 39.34 38.99 1tsy n TYR 146 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tsy h GLY 147 N 0.00 1.17 1.88 2.72 0.00 -1.77 0.38 103.07 107.46 1tsy h GLY 147 Ca 0.31 -0.12 -0.21 0.00 0.00 0.00 0.00 47.33 47.31 1tsy h GLY 147 CO -0.69 -0.15 -0.99 1.48 0.00 0.00 0.00 176.54 176.18 1tsy h SER 148 N 0.39 0.14 -0.23 0.19 4.64 -1.24 -1.87 113.55 115.56 1tsy h SER 148 Ca 0.44 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.49 1tsy h SER 148 Cb 0.72 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1tsy h SER 148 CO -0.45 1.04 -0.35 1.56 -0.87 0.00 0.00 176.83 177.76 1tsy h GLN 149 N 0.04 0.76 0.10 4.77 4.20 -0.79 0.53 115.11 124.71 1tsy h GLN 149 Ca -0.04 -0.37 -0.24 0.00 0.06 0.00 0.00 58.65 58.06 1tsy h GLN 149 Cb 1.70 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.51 1tsy h GLN 149 CO 0.14 0.99 -0.99 -1.49 -0.67 0.00 0.00 178.83 176.81 1tsy h TRP 150 N 0.63 0.80 -0.08 2.96 4.06 -0.35 -3.39 115.95 120.59 1tsy h TRP 150 Ca 0.06 -0.51 0.00 0.00 2.06 0.00 0.00 58.89 60.51 1tsy h TRP 150 Cb 0.88 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1tsy h TRP 150 CO 0.05 1.36 0.00 0.54 -3.56 0.00 0.00 178.44 176.83 1tsy n ARG 151 N -3.98 0.96 -2.71 0.49 5.12 -0.71 -1.56 116.66 114.27 1tsy n ARG 151 Ca -0.13 -1.32 -0.08 0.00 -1.93 0.00 0.00 57.85 54.40 1tsy n ARG 151 Cb 0.87 -1.22 0.10 0.00 -1.16 0.00 0.00 32.46 31.05 1tsy n ARG 151 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tsy n ALA 152 N 0.59 -0.53 -2.01 7.54 0.00 0.18 -4.15 120.51 122.13 1tsy n ALA 152 Ca 0.07 -1.25 -0.43 0.00 0.00 0.00 0.00 53.44 51.83 1tsy n ALA 152 Cb 0.30 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1tsy n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1tsy s TRP 153 N 0.21 1.92 0.04 0.00 -0.11 0.35 -4.60 118.94 116.76 1tsy s TRP 153 Ca 0.21 0.38 -0.31 0.00 1.22 0.00 0.00 56.10 57.60 1tsy s TRP 153 Cb 0.31 -3.98 -0.06 0.00 -1.50 0.00 0.00 33.47 28.24 1tsy s TRP 153 CO -0.08 -3.48 1.36 -1.01 -4.62 0.00 0.00 176.95 169.12 1tsy s HIS 154 N 5.14 3.07 0.25 5.86 3.76 -1.26 -0.01 115.29 132.10 1tsy s HIS 154 Ca 0.76 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 56.65 1tsy s HIS 154 Cb -0.29 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 29.75 1tsy s HIS 154 CO 0.31 -2.19 0.39 0.95 -0.85 0.00 0.00 174.74 173.35 1tsy s THR 155 N 1.82 5.23 0.26 1.30 -4.23 -0.28 -4.96 115.64 114.77 1tsy s THR 155 Ca 0.63 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1tsy s THR 155 Cb -0.32 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 69.91 1tsy s THR 155 CO 0.28 -0.34 1.90 0.28 -0.54 0.00 0.00 174.62 176.19 1tsy h SER 156 N 1.26 1.07 0.02 3.99 0.02 -1.95 0.30 113.55 118.26 1tsy h SER 156 Ca -0.51 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1tsy h SER 156 Cb 1.22 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1tsy h SER 156 CO 0.62 0.83 0.00 0.29 -1.14 0.00 0.00 176.83 177.43 1tsy n LYS 157 N -4.35 0.15 -0.10 3.45 4.76 -1.26 -4.79 118.16 116.02 1tsy n LYS 157 Ca 0.10 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1tsy n LYS 157 Cb 0.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1tsy n LYS 157 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tsy n GLY 158 N -0.69 0.99 0.00 0.72 0.00 0.10 -5.06 105.19 101.23 1tsy n GLY 158 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1tsy n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tsy n ASP 159 N 0.00 0.00 -3.79 1.61 -0.08 -1.25 -4.77 116.55 108.27 1tsy n ASP 159 Ca 0.00 -0.71 -0.14 0.00 -1.51 0.00 0.00 54.79 52.43 1tsy n ASP 159 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 1tsy n ASP 159 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1tsy s THR 160 N -0.18 -0.04 -0.14 5.18 -4.23 -1.26 -1.13 115.64 113.84 1tsy s THR 160 Ca 0.00 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 1tsy s THR 160 Cb 0.00 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.66 1tsy s THR 160 CO 0.00 0.05 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.50 1tsy s ILE 161 N 0.76 4.25 -1.12 2.99 1.01 0.99 -4.80 121.20 125.27 1tsy s ILE 161 Ca -0.06 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 1tsy s ILE 161 Cb -0.08 -2.85 0.21 0.00 0.01 0.00 0.00 42.46 39.74 1tsy s ILE 161 CO -0.03 0.52 1.24 -0.62 0.00 0.00 0.00 174.94 176.05 1tsy s ASP 162 N -0.00 7.10 0.13 3.58 -1.08 -1.26 -0.49 116.67 124.65 1tsy s ASP 162 Ca 0.03 -3.10 -0.27 0.00 -0.52 0.00 0.00 52.55 48.69 1tsy s ASP 162 Cb -0.13 -2.32 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 1tsy s ASP 162 CO 0.02 -0.60 1.60 1.56 0.52 0.00 0.00 175.17 178.27 1tsy h GLN 163 N 7.18 -0.43 -0.86 4.34 4.20 -1.57 -1.82 115.11 126.15 1tsy h GLN 163 Ca 0.24 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.99 1tsy h GLN 163 Cb 0.90 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 1tsy h GLN 163 CO 1.12 -0.28 0.57 1.25 -0.67 0.00 0.00 178.83 180.81 1tsy h LEU 164 N -0.44 0.98 -0.85 1.46 5.85 -1.68 -0.16 115.31 120.47 1tsy h LEU 164 Ca 0.08 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1tsy h LEU 164 Cb 0.57 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1tsy h LEU 164 CO -0.34 0.71 -0.01 1.23 -0.34 0.00 0.00 178.44 179.69 1tsy h GLY 165 N 1.16 0.91 0.96 3.75 0.00 -1.76 -2.19 103.07 105.90 1tsy h GLY 165 Ca 0.32 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1tsy h GLY 165 CO -0.08 0.58 -0.41 -0.55 0.00 0.00 0.00 176.54 176.09 1tsy h ASP 166 N 0.79 0.72 -0.72 0.19 3.32 -0.81 -3.07 116.42 116.84 1tsy h ASP 166 Ca 0.15 -0.55 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1tsy h ASP 166 Cb 0.49 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1tsy h ASP 166 CO 0.02 1.13 0.24 0.58 -1.72 0.00 0.00 179.24 179.50 1tsy h VAL 167 N 0.34 1.26 -0.40 -1.35 2.07 -0.91 -1.58 116.25 115.68 1tsy h VAL 167 Ca 0.01 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1tsy h VAL 167 Cb 1.01 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1tsy h VAL 167 CO 0.09 0.34 0.27 0.40 0.02 0.00 0.00 177.57 178.69 1tsy h ILE 168 N 1.05 1.09 -0.28 4.57 2.04 -1.43 0.83 117.51 125.38 1tsy h ILE 168 Ca 0.23 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 1tsy h ILE 168 Cb 0.28 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1tsy h ILE 168 CO -0.01 0.10 -0.27 -0.33 0.00 0.00 0.00 178.15 177.63 1tsy h GLU 169 N 0.53 0.68 -0.61 2.37 4.39 -1.29 -2.54 114.58 118.11 1tsy h GLU 169 Ca 0.15 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1tsy h GLU 169 Cb -0.04 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1tsy h GLU 169 CO -0.03 0.97 0.34 1.96 -1.16 0.00 0.00 179.01 181.08 1tsy h GLN 170 N 0.42 0.84 -0.01 2.33 1.08 -0.26 0.02 115.11 119.52 1tsy h GLN 170 Ca 0.05 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1tsy h GLN 170 Cb 0.84 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1tsy h GLN 170 CO 0.07 0.61 -0.28 0.82 -0.95 0.00 0.00 178.83 179.10 1tsy h ILE 171 N 0.85 1.21 0.00 2.54 2.04 -0.70 0.81 117.51 124.25 1tsy h ILE 171 Ca 0.22 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1tsy h ILE 171 Cb 0.01 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1tsy h ILE 171 CO -0.04 0.28 -0.35 0.11 0.00 0.00 0.00 178.15 178.16 1tsy h LYS 172 N 0.02 0.00 0.00 2.37 1.57 -0.64 -3.17 116.57 116.72 1tsy h LYS 172 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tsy h LYS 172 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1tsy h LYS 172 CO 0.04 0.12 -1.14 0.25 -0.57 0.00 0.00 179.45 178.15 1tsy n THR 173 N -3.04 0.00 -2.97 -0.16 -2.24 -0.28 -4.82 114.28 100.77 1tsy n THR 173 Ca 0.02 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1tsy n THR 173 Cb 0.59 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1tsy n THR 173 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1tsy n HIS 174 N -1.63 -1.64 0.17 4.78 8.25 0.28 -4.99 115.22 120.44 1tsy n HIS 174 Ca -0.01 -2.80 0.14 0.00 -0.26 0.00 0.00 57.72 54.79 1tsy n HIS 174 Cb 0.15 0.60 0.70 0.00 1.12 0.00 0.00 29.99 32.55 1tsy n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1tsy h PRO 175 N 3.58 0.00 -0.88 -0.41 0.13 -1.59 -0.86 132.00 131.97 1tsy h PRO 175 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1tsy h PRO 175 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1tsy h PRO 175 CO 0.36 0.00 0.03 0.66 -0.23 0.00 0.00 178.00 178.82 1tsy n TYR 176 N -4.35 0.71 -2.59 1.56 4.01 -1.26 -3.78 117.16 111.45 1tsy n TYR 176 Ca 0.02 -0.33 -0.42 0.00 -0.16 0.00 0.00 57.90 57.02 1tsy n TYR 176 Cb 0.30 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 1tsy n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1tsy s SER 177 N -0.18 7.30 -0.07 7.72 0.15 -0.33 -4.92 113.70 123.38 1tsy s SER 177 Ca 0.18 1.88 0.06 0.00 0.70 0.00 0.00 55.95 58.76 1tsy s SER 177 Cb 0.14 -2.58 0.28 0.00 -1.71 0.00 0.00 66.02 62.14 1tsy s SER 177 CO 0.05 -0.27 1.00 0.54 1.20 0.00 0.00 173.24 175.76 1tsy n ARG 178 N 3.33 2.22 -2.80 5.44 1.74 -1.26 -4.06 116.66 121.27 1tsy n ARG 178 Ca 0.05 -1.08 -0.02 0.00 -0.77 0.00 0.00 57.85 56.03 1tsy n ARG 178 Cb 0.48 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1tsy n ARG 178 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1tsy n LYS 179 N 0.23 1.64 -2.39 5.56 2.85 -1.26 -4.94 118.16 119.84 1tsy n LYS 179 Ca 0.10 -3.47 -0.43 0.00 -1.05 0.00 0.00 58.31 53.46 1tsy n LYS 179 Cb 0.51 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1tsy n LYS 179 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1tsy n LEU 180 N -0.50 5.87 -4.38 -5.58 4.77 -1.26 -4.93 117.00 110.99 1tsy n LEU 180 Ca 0.08 -4.25 -0.32 0.00 -0.03 0.00 0.00 56.01 51.48 1tsy n LEU 180 Cb 0.81 -1.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.11 1tsy n LEU 180 CO 0.11 0.79 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.83 1tsy s ILE 181 N 2.54 2.64 -0.12 -0.08 1.01 -1.26 -0.59 121.20 125.35 1tsy s ILE 181 Ca 0.47 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1tsy s ILE 181 Cb 0.06 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1tsy s ILE 181 CO 0.00 0.57 -0.16 -0.69 0.00 0.00 0.00 174.94 174.66 1tsy s VAL 182 N -0.40 1.61 0.03 2.92 1.01 -0.68 -5.01 120.40 119.88 1tsy s VAL 182 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1tsy s VAL 182 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1tsy s VAL 182 CO 0.02 0.46 -0.04 -0.55 0.00 0.00 0.00 175.10 174.99 1tsy s SER 183 N 0.97 4.80 0.00 3.32 0.15 -1.26 -2.11 113.70 119.58 1tsy s SER 183 Ca -0.06 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.48 1tsy s SER 183 Cb -0.15 -1.14 0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1tsy s SER 183 CO -0.02 0.25 0.71 0.00 1.20 0.00 0.00 173.24 175.38 1tsy n ALA 184 N 1.24 2.39 -2.72 5.45 0.00 -0.58 -4.72 120.51 121.57 1tsy n ALA 184 Ca -0.14 -0.65 -0.38 0.00 0.00 0.00 0.00 53.44 52.27 1tsy n ALA 184 Cb 0.52 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 1tsy n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1tsy s TRP 185 N -0.44 3.19 -0.28 0.00 -0.11 -1.23 -4.70 118.94 115.37 1tsy s TRP 185 Ca 0.04 -0.09 0.01 0.00 1.22 0.00 0.00 56.10 57.29 1tsy s TRP 185 Cb 0.03 -2.35 0.08 0.00 -1.50 0.00 0.00 33.47 29.72 1tsy s TRP 185 CO 0.04 -0.25 -0.00 1.21 -4.62 0.00 0.00 176.95 173.33 1tsy s ASN 186 N 1.71 4.15 0.55 5.86 3.84 -1.26 -4.99 114.94 124.80 1tsy s ASN 186 Ca 0.07 -1.52 0.35 0.00 0.21 0.00 0.00 52.86 51.96 1tsy s ASN 186 Cb -0.16 -1.26 1.51 0.00 -0.55 0.00 0.00 41.25 40.79 1tsy s ASN 186 CO 0.09 -0.30 1.81 -0.65 -2.79 0.00 0.00 177.10 175.26 1tsy h PRO 187 N 7.88 0.00 -0.32 0.43 0.11 -1.99 0.12 132.00 138.22 1tsy h PRO 187 Ca -0.14 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 1tsy h PRO 187 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1tsy h PRO 187 CO 0.45 0.00 -0.13 1.49 -0.21 0.00 0.00 178.00 179.60 1tsy h GLU 188 N 0.00 0.65 0.10 1.05 4.81 -2.04 -3.34 114.58 115.81 1tsy h GLU 188 Ca 0.50 -0.28 -0.33 0.00 -0.13 0.00 0.00 59.36 59.12 1tsy h GLU 188 Cb 2.08 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1tsy h GLU 188 CO -0.01 0.86 -1.77 -0.44 -0.73 0.00 0.00 179.01 176.93 1tsy h ASP 189 N 0.42 0.34 -0.97 1.04 3.32 -1.30 -3.40 116.42 115.86 1tsy h ASP 189 Ca 0.07 -0.62 0.33 0.00 0.02 0.00 0.00 57.03 56.83 1tsy h ASP 189 Cb 0.65 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 39.93 1tsy h ASP 189 CO 0.04 1.54 0.40 0.58 -1.72 0.00 0.00 179.24 180.09 1tsy h VAL 190 N 0.06 0.16 -0.90 -1.35 2.07 -1.10 -2.55 116.25 112.64 1tsy h VAL 190 Ca -0.33 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1tsy h VAL 190 Cb 2.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1tsy h VAL 190 CO 0.12 0.03 0.53 -0.65 0.02 0.00 0.00 177.57 177.62 1tsy h PRO 191 N 0.15 1.24 -0.01 1.57 0.11 -1.78 -3.09 132.00 130.18 1tsy h PRO 191 Ca 0.71 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1tsy h PRO 191 Cb 1.67 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1tsy h PRO 191 CO -0.72 0.87 -0.13 0.25 -0.21 0.00 0.00 178.00 178.07 1tsy n THR 192 N -4.35 0.00 -2.57 -1.15 -2.24 -0.97 -4.95 114.28 98.05 1tsy n THR 192 Ca 0.10 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 1tsy n THR 192 Cb 0.07 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 1tsy n THR 192 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1tsy s MET 193 N -2.24 4.05 -0.04 -0.78 -1.94 -1.17 -5.00 119.30 112.18 1tsy s MET 193 Ca 0.31 1.00 -0.22 0.00 -1.71 0.00 0.00 55.69 55.07 1tsy s MET 193 Cb 0.20 -2.16 -0.16 0.00 2.01 0.00 0.00 34.83 34.72 1tsy s MET 193 CO 0.42 -0.17 0.95 0.00 -0.01 0.00 0.00 175.02 176.21 1tsy h ALA 194 N 1.30 -0.26 -3.22 3.03 0.00 -1.92 -3.42 119.26 114.78 1tsy h ALA 194 Ca -0.48 -0.22 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 1tsy h ALA 194 Cb 1.18 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.67 1tsy h ALA 194 CO 0.61 -0.36 -0.75 -1.17 0.00 0.00 0.00 179.25 177.59 1tsy s LEU 195 N -9.10 2.57 0.61 0.00 2.96 -1.26 -5.12 118.68 109.34 1tsy s LEU 195 Ca -0.13 -1.73 -0.19 0.00 -0.22 0.00 0.00 54.13 51.86 1tsy s LEU 195 Cb 0.01 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1tsy s LEU 195 CO 0.49 -0.41 1.26 -2.84 -1.32 0.00 0.00 176.35 173.53 1tsy s PRO 196 N 1.49 2.81 -0.23 0.98 0.02 -1.26 -4.83 135.00 133.99 1tsy s PRO 196 Ca 0.10 1.96 -0.42 0.00 0.02 0.00 0.00 61.00 62.66 1tsy s PRO 196 Cb -0.18 -1.92 -0.20 0.00 0.02 0.00 0.00 34.50 32.23 1tsy s PRO 196 CO -0.22 -1.37 1.29 -2.30 -0.33 0.00 0.00 177.00 174.07 1tsy n PRO 197 N -1.67 0.00 0.09 5.54 -0.02 -1.26 -4.86 135.00 132.82 1tsy n PRO 197 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1tsy n PRO 197 Cb 0.49 -1.47 -0.13 0.00 -0.02 0.00 0.00 33.50 32.36 1tsy n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tsy s HIS 199 N -2.67 4.04 0.26 0.00 3.76 -1.26 -1.66 115.29 117.76 1tsy s HIS 199 Ca -0.03 -2.52 -0.04 0.00 -0.15 0.00 0.00 55.06 52.33 1tsy s HIS 199 Cb 0.08 -3.98 0.35 0.00 1.11 0.00 0.00 32.58 30.14 1tsy s HIS 199 CO 0.87 -1.09 1.90 1.15 -0.85 0.00 0.00 174.74 176.72 1tsy h THR 200 N 3.98 1.15 -1.75 1.30 2.02 -1.63 -3.42 112.91 114.56 1tsy h THR 200 Ca 0.22 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 67.01 1tsy h THR 200 Cb 0.88 -0.21 -0.21 0.00 -1.74 0.00 0.00 68.15 66.87 1tsy h THR 200 CO 1.08 0.23 0.44 -0.22 0.37 0.00 0.00 175.52 177.42 1tsy s LEU 201 N -10.15 -0.45 0.03 2.58 0.20 -1.21 -1.52 118.68 108.15 1tsy s LEU 201 Ca -0.13 0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.12 1tsy s LEU 201 Cb 0.19 2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 48.00 1tsy s LEU 201 CO 0.82 -0.44 0.04 -0.72 -0.29 0.00 0.00 176.35 175.75 1tsy s TYR 202 N -1.30 0.25 -0.02 5.38 1.13 -0.89 -0.27 117.35 121.62 1tsy s TYR 202 Ca -0.04 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.09 1tsy s TYR 202 Cb -0.00 -0.18 0.01 0.00 -1.10 0.00 0.00 41.96 40.68 1tsy s TYR 202 CO 0.03 -0.29 -0.03 -1.14 -2.51 0.00 0.00 175.55 171.61 1tsy s GLN 203 N -2.20 0.42 0.45 -3.49 0.74 0.29 -1.69 119.66 114.18 1tsy s GLN 203 Ca -0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.23 1tsy s GLN 203 Cb -0.04 -0.47 -0.02 0.00 1.10 0.00 0.00 33.01 33.59 1tsy s GLN 203 CO -0.03 -0.00 0.69 -0.06 -0.55 0.00 0.00 175.29 175.34 1tsy s PHE 204 N 0.39 3.37 -0.27 1.67 0.08 0.25 -0.56 117.98 122.90 1tsy s PHE 204 Ca -0.04 0.43 -0.20 0.00 0.12 0.00 0.00 56.93 57.23 1tsy s PHE 204 Cb -0.07 -2.26 0.07 0.00 -0.57 0.00 0.00 43.02 40.19 1tsy s PHE 204 CO -0.01 -0.28 0.69 -0.47 -0.10 0.00 0.00 175.22 175.06 1tsy s TYR 205 N -2.59 -0.91 -0.04 0.36 5.04 -0.60 -4.47 117.35 114.14 1tsy s TYR 205 Ca 0.47 2.00 0.03 0.00 -2.44 0.00 0.00 57.07 57.12 1tsy s TYR 205 Cb -0.10 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1tsy s TYR 205 CO 0.40 -0.44 -0.13 0.08 -1.34 0.00 0.00 175.55 174.12 1tsy s VAL 206 N 0.96 1.11 -0.24 3.14 1.01 -1.25 -0.82 120.40 124.32 1tsy s VAL 206 Ca -0.05 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 1tsy s VAL 206 Cb -0.05 -0.98 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1tsy s VAL 206 CO -0.09 0.34 0.84 0.21 0.00 0.00 0.00 175.10 176.40 1tsy s ASN 207 N 0.30 -0.61 -1.79 3.32 3.04 -0.97 -4.59 114.94 113.65 1tsy s ASN 207 Ca -0.07 1.08 0.00 0.00 0.04 0.00 0.00 52.86 53.91 1tsy s ASN 207 Cb -0.12 1.07 0.00 0.00 -1.54 0.00 0.00 41.25 40.66 1tsy s ASN 207 CO 0.02 -0.26 0.00 0.47 -3.04 0.00 0.00 177.10 174.29 1tsy n ASP 208 N 2.17 -5.51 -0.65 -4.21 8.00 -1.26 -1.10 116.55 113.99 1tsy n ASP 208 Ca -0.14 0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 1tsy n ASP 208 Cb 0.56 -4.67 -0.03 0.00 -0.02 0.00 0.00 41.12 36.95 1tsy n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tsy n GLY 209 N -0.82 0.99 3.30 0.44 0.00 -1.26 -4.98 105.19 102.85 1tsy n GLY 209 Ca -0.22 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1tsy n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsy s LYS 210 N -2.76 2.02 -0.20 1.61 1.02 -0.26 -0.88 119.74 120.29 1tsy s LYS 210 Ca 0.00 -0.91 -0.09 0.00 0.02 0.00 0.00 55.97 54.99 1tsy s LYS 210 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1tsy s LYS 210 CO 0.00 0.54 0.10 -1.17 -0.92 0.00 0.00 175.35 173.90 1tsy s LEU 211 N -0.63 3.98 0.22 3.17 2.96 0.06 -2.30 118.68 126.14 1tsy s LEU 211 Ca 0.10 0.13 0.11 0.00 -0.22 0.00 0.00 54.13 54.24 1tsy s LEU 211 Cb -0.10 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1tsy s LEU 211 CO -0.01 0.15 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.54 1tsy s SER 212 N 0.50 3.22 -0.05 3.68 0.01 -0.00 -0.08 113.70 120.98 1tsy s SER 212 Ca 0.05 -0.95 -0.02 0.00 1.31 0.00 0.00 55.95 56.34 1tsy s SER 212 Cb -0.12 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1tsy s SER 212 CO 0.00 0.01 0.10 -0.22 0.41 0.00 0.00 173.24 173.54 1tsy s LEU 213 N -3.10 0.90 -0.11 2.44 0.20 -1.00 -1.56 118.68 116.44 1tsy s LEU 213 Ca 0.24 0.19 -0.00 0.00 0.69 0.00 0.00 54.13 55.24 1tsy s LEU 213 Cb -0.05 0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 45.87 1tsy s LEU 213 CO 0.11 -0.14 -0.09 -1.58 -0.29 0.00 0.00 176.35 174.36 1tsy s GLN 214 N 1.09 3.17 -0.06 1.98 0.74 0.27 -1.15 119.66 125.71 1tsy s GLN 214 Ca -0.09 -0.60 0.04 0.00 0.05 0.00 0.00 55.36 54.77 1tsy s GLN 214 Cb -0.12 -2.67 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 1tsy s GLN 214 CO -0.05 0.40 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.74 1tsy s LEU 215 N -0.12 2.46 -0.38 3.68 0.20 -0.36 -0.55 118.68 123.61 1tsy s LEU 215 Ca 0.00 -0.33 -0.07 0.00 0.69 0.00 0.00 54.13 54.42 1tsy s LEU 215 Cb -0.13 -1.48 0.06 0.00 -0.43 0.00 0.00 46.19 44.21 1tsy s LEU 215 CO 0.03 0.29 0.19 -0.47 -0.29 0.00 0.00 176.35 176.10 1tsy s TYR 216 N -0.43 3.32 -0.36 5.38 6.14 0.62 -0.55 117.35 131.48 1tsy s TYR 216 Ca 0.05 -1.55 -0.10 0.00 0.64 0.00 0.00 57.07 56.11 1tsy s TYR 216 Cb -0.12 -2.67 0.02 0.00 0.42 0.00 0.00 41.96 39.61 1tsy s TYR 216 CO 0.02 -0.80 0.18 -1.14 0.64 0.00 0.00 175.55 174.44 1tsy s GLN 217 N 1.39 2.88 0.43 4.97 0.74 -0.35 -2.33 119.66 127.39 1tsy s GLN 217 Ca 0.01 -1.03 0.12 0.00 0.05 0.00 0.00 55.36 54.51 1tsy s GLN 217 Cb -0.21 -3.66 0.93 0.00 1.10 0.00 0.00 33.01 31.17 1tsy s GLN 217 CO 0.02 -0.65 1.97 0.07 -0.55 0.00 0.00 175.29 176.16 1tsy h ARG 218 N 8.39 0.11 -3.56 1.67 0.11 -1.62 0.19 114.38 119.67 1tsy h ARG 218 Ca -0.26 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 59.61 1tsy h ARG 218 Cb 1.11 -0.02 -0.25 0.00 1.11 0.00 0.00 29.97 31.92 1tsy h ARG 218 CO 0.65 0.25 -0.59 0.45 0.10 0.00 0.00 179.97 180.83 1tsy s SER 219 N -6.95 -0.03 -0.14 0.08 0.15 -1.26 -0.44 113.70 105.11 1tsy s SER 219 Ca -0.05 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 1tsy s SER 219 Cb 0.16 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1tsy s SER 219 CO 0.71 -0.14 0.37 0.00 1.20 0.00 0.00 173.24 175.38 1tsy s ALA 220 N -0.43 -0.92 -0.54 5.45 0.00 -0.41 -4.91 121.76 120.01 1tsy s ALA 220 Ca -0.05 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 1tsy s ALA 220 Cb -0.03 -0.66 0.09 0.00 0.00 0.00 0.00 23.12 22.51 1tsy s ALA 220 CO 0.00 -0.19 0.59 0.34 0.00 0.00 0.00 175.76 176.50 1tsy s ASP 221 N 0.47 6.19 0.19 0.00 -1.08 -1.26 0.05 116.67 121.23 1tsy s ASP 221 Ca -0.02 -1.33 -0.13 0.00 -0.52 0.00 0.00 52.55 50.55 1tsy s ASP 221 Cb -0.04 -2.26 0.21 0.00 -1.46 0.00 0.00 42.92 39.37 1tsy s ASP 221 CO -0.02 -0.92 1.68 0.40 0.52 0.00 0.00 175.17 176.83 1tsy h ILE 222 N 5.87 0.58 0.42 4.11 1.08 -1.16 0.14 117.51 128.55 1tsy h ILE 222 Ca -0.29 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1tsy h ILE 222 Cb 1.10 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1tsy h ILE 222 CO 1.01 0.02 -0.20 0.15 -0.69 0.00 0.00 178.15 178.44 1tsy h PHE 223 N 0.11 -0.53 0.02 1.37 3.57 -1.93 -3.33 116.94 116.22 1tsy h PHE 223 Ca 0.27 -0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.45 1tsy h PHE 223 Cb 0.41 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1tsy h PHE 223 CO -0.33 -0.30 -1.75 1.28 -2.23 0.00 0.00 178.31 174.97 1tsy n LEU 224 N -5.15 1.15 -0.00 0.59 4.77 -1.24 -4.54 117.00 112.57 1tsy n LEU 224 Ca -0.07 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1tsy n LEU 224 Cb 0.23 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1tsy n LEU 224 CO 0.18 0.46 0.04 1.23 -1.33 0.00 0.00 177.39 177.97 1tsy h GLY 225 N 3.13 -0.06 -0.27 -0.72 0.00 -1.03 -3.41 103.07 100.70 1tsy h GLY 225 Ca -0.31 0.02 0.21 0.00 0.00 0.00 0.00 47.33 47.26 1tsy h GLY 225 CO 0.08 -0.02 0.27 -2.08 0.00 0.00 0.00 176.54 174.79 1tsy h VAL 226 N -0.55 0.42 -0.90 4.60 2.07 -1.13 -1.92 116.25 118.82 1tsy h VAL 226 Ca -0.01 -0.10 0.17 0.00 0.82 0.00 0.00 66.70 67.58 1tsy h VAL 226 Cb 0.04 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 1tsy h VAL 226 CO 0.01 0.05 0.58 -0.65 0.02 0.00 0.00 177.57 177.59 1tsy h PRO 227 N 0.29 0.59 0.07 1.57 0.11 -1.80 -0.90 132.00 131.93 1tsy h PRO 227 Ca 0.52 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 1tsy h PRO 227 Cb 0.99 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1tsy h PRO 227 CO -0.58 0.39 -0.03 0.74 -0.21 0.00 0.00 178.00 178.31 1tsy h PHE 228 N 0.61 -0.09 -1.04 0.65 -1.00 -1.60 -3.26 116.94 111.21 1tsy h PHE 228 Ca 0.47 -0.00 0.28 0.00 2.81 0.00 0.00 57.97 61.53 1tsy h PHE 228 Cb 0.88 0.03 -0.12 0.00 3.61 0.00 0.00 35.95 40.35 1tsy h PHE 228 CO -0.00 0.43 0.63 -0.91 -1.61 0.00 0.00 178.31 176.84 1tsy h ASN 229 N -0.93 0.55 -0.29 2.17 -0.26 -1.02 0.76 115.58 116.56 1tsy h ASN 229 Ca -0.01 0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.83 1tsy h ASN 229 Cb 0.56 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1tsy h ASN 229 CO 0.02 0.02 0.04 0.40 -1.06 0.00 0.00 177.43 176.84 1tsy h ILE 230 N 0.44 1.24 -0.55 2.81 2.04 -1.29 -2.94 117.51 119.26 1tsy h ILE 230 Ca 0.67 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1tsy h ILE 230 Cb 1.51 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1tsy h ILE 230 CO -0.46 0.27 0.11 0.00 0.00 0.00 0.00 178.15 178.07 1tsy h ALA 231 N 0.87 0.72 -0.10 1.87 0.00 -0.95 -1.73 119.26 119.93 1tsy h ALA 231 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1tsy h ALA 231 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1tsy h ALA 231 CO 0.01 0.45 -0.01 0.77 0.00 0.00 0.00 179.25 180.47 1tsy h SER 232 N 0.79 -0.05 1.46 0.00 0.02 -1.17 -1.97 113.55 112.62 1tsy h SER 232 Ca 0.17 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1tsy h SER 232 Cb 0.38 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1tsy h SER 232 CO 0.01 -0.01 -0.41 1.88 -1.14 0.00 0.00 176.83 177.16 1tsy h TYR 233 N 0.03 0.00 -0.04 3.45 -1.99 -1.51 -1.67 116.97 115.23 1tsy h TYR 233 Ca 0.05 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.61 1tsy h TYR 233 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 1tsy h TYR 233 CO -0.14 0.41 -0.70 0.00 -0.00 0.00 0.00 178.16 177.73 1tsy h ALA 234 N 1.59 0.73 -0.20 3.88 0.00 -1.24 -1.89 119.26 122.13 1tsy h ALA 234 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1tsy h ALA 234 Cb 1.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1tsy h ALA 234 CO 0.05 0.80 -0.30 1.25 0.00 0.00 0.00 179.25 181.05 1tsy h LEU 235 N 0.15 0.61 -1.03 0.00 5.85 -1.27 -2.28 115.31 117.36 1tsy h LEU 235 Ca -0.02 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.19 1tsy h LEU 235 Cb 1.25 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1tsy h LEU 235 CO 0.11 1.01 0.65 0.25 -0.34 0.00 0.00 178.44 180.12 1tsy h LEU 236 N 0.23 1.13 -0.64 2.25 5.85 -1.20 -0.29 115.31 122.65 1tsy h LEU 236 Ca 0.02 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1tsy h LEU 236 Cb 0.88 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1tsy h LEU 236 CO 0.07 0.82 0.42 0.74 -0.34 0.00 0.00 178.44 180.15 1tsy h THR 237 N 1.34 1.17 0.15 1.05 2.02 -1.21 -1.23 112.91 116.19 1tsy h THR 237 Ca 0.36 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1tsy h THR 237 Cb -0.15 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1tsy h THR 237 CO -0.08 0.16 -0.07 0.45 0.37 0.00 0.00 175.52 176.35 1tsy h HIS 238 N 0.87 -0.18 -0.11 3.16 3.86 -0.74 -1.92 115.15 120.08 1tsy h HIS 238 Ca 0.23 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.48 1tsy h HIS 238 Cb -0.09 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 1tsy h HIS 238 CO -0.03 0.05 -0.17 -0.07 0.86 0.00 0.00 177.93 178.57 1tsy h LEU 239 N -0.40 -0.53 -1.05 2.43 3.38 -0.90 0.59 115.31 118.83 1tsy h LEU 239 Ca -0.02 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1tsy h LEU 239 Cb 0.32 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1tsy h LEU 239 CO 0.03 -0.22 0.55 0.58 0.09 0.00 0.00 178.44 179.47 1tsy h VAL 240 N -0.22 1.24 -0.28 1.22 2.07 -1.27 0.24 116.25 119.25 1tsy h VAL 240 Ca 0.09 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1tsy h VAL 240 Cb 0.35 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1tsy h VAL 240 CO -0.24 0.25 0.14 0.00 0.02 0.00 0.00 177.57 177.74 1tsy h ALA 241 N 1.38 0.35 -0.20 1.67 0.00 -0.85 -0.84 119.26 120.78 1tsy h ALA 241 Ca 0.32 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1tsy h ALA 241 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1tsy h ALA 241 CO -0.06 -0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.33 1tsy h HIS 242 N 0.32 -0.03 -0.34 0.00 6.17 -0.35 0.11 115.15 121.03 1tsy h HIS 242 Ca 0.10 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.16 1tsy h HIS 242 Cb 0.09 0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.05 1tsy h HIS 242 CO -0.03 -0.04 0.08 1.49 0.71 0.00 0.00 177.93 180.14 1tsy h GLU 243 N 0.05 0.49 -0.11 5.26 4.57 -0.73 -2.71 114.58 121.41 1tsy h GLU 243 Ca 0.09 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1tsy h GLU 243 Cb 0.12 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1tsy h GLU 243 CO -0.17 0.46 0.00 0.00 -1.18 0.00 0.00 179.01 178.12 1tsy n GLY 245 N 1.27 -0.21 3.76 0.00 0.00 0.28 -5.00 105.19 105.30 1tsy n GLY 245 Ca 0.17 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1tsy n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tsy s LEU 246 N -4.44 3.33 0.74 0.99 1.43 -0.54 -5.03 118.68 115.15 1tsy s LEU 246 Ca 0.08 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.37 1tsy s LEU 246 Cb -0.03 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1tsy s LEU 246 CO 0.09 -0.32 1.07 -1.61 0.23 0.00 0.00 176.35 175.81 1tsy s GLU 247 N -3.88 2.16 -0.10 1.70 0.41 -0.06 -4.46 118.70 114.47 1tsy s GLU 247 Ca 0.39 -0.09 -0.08 0.00 -0.41 0.00 0.00 54.97 54.77 1tsy s GLU 247 Cb -0.03 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 1tsy s GLU 247 CO 0.24 -1.34 0.18 0.54 -0.49 0.00 0.00 175.26 174.39 1tsy s VAL 248 N -3.36 5.43 0.00 2.63 0.11 -1.26 -0.76 120.40 123.19 1tsy s VAL 248 Ca 0.60 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.96 1tsy s VAL 248 Cb -0.11 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1tsy s VAL 248 CO 0.46 0.61 0.00 0.61 -3.33 0.00 0.00 175.10 173.45 1tsy n GLY 249 N 2.02 0.75 3.12 6.54 0.00 0.89 -4.56 105.19 113.95 1tsy n GLY 249 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1tsy n GLY 249 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tsy s GLU 250 N 2.52 0.69 -0.37 1.61 -1.05 -1.25 -1.46 118.70 119.38 1tsy s GLU 250 Ca 0.00 -0.95 -0.16 0.00 -0.15 0.00 0.00 54.97 53.71 1tsy s GLU 250 Cb 0.00 -0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.24 1tsy s GLU 250 CO 0.00 0.08 0.37 0.12 0.95 0.00 0.00 175.26 176.78 1tsy s PHE 251 N -1.83 3.20 -0.26 4.83 5.36 -0.67 -2.38 117.98 126.23 1tsy s PHE 251 Ca -0.03 -0.20 -0.12 0.00 -0.96 0.00 0.00 56.93 55.62 1tsy s PHE 251 Cb -0.07 -2.72 -0.05 0.00 -0.34 0.00 0.00 43.02 39.85 1tsy s PHE 251 CO 0.00 -0.53 0.23 0.42 -1.46 0.00 0.00 175.22 173.88 1tsy s ILE 252 N 2.00 5.30 -0.33 3.12 1.09 -0.30 -1.11 121.20 130.96 1tsy s ILE 252 Ca 0.11 0.29 -0.07 0.00 -1.10 0.00 0.00 60.65 59.88 1tsy s ILE 252 Cb -0.17 -3.56 0.03 0.00 -1.06 0.00 0.00 42.46 37.70 1tsy s ILE 252 CO 0.12 0.27 0.10 -2.28 -0.10 0.00 0.00 174.94 173.05 1tsy s HIS 253 N 1.53 3.24 -0.11 3.97 2.46 0.81 -1.22 115.29 125.96 1tsy s HIS 253 Ca 0.10 -1.35 -0.06 0.00 0.47 0.00 0.00 55.06 54.22 1tsy s HIS 253 Cb -0.15 -2.28 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 1tsy s HIS 253 CO 0.08 -0.71 0.12 0.99 -2.47 0.00 0.00 174.74 172.75 1tsy s THR 254 N 1.42 5.32 0.14 0.89 2.01 0.29 -1.78 115.64 123.93 1tsy s THR 254 Ca -0.01 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.23 1tsy s THR 254 Cb -0.19 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1tsy s THR 254 CO 0.03 0.62 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.98 1tsy s PHE 255 N -1.01 2.39 0.00 4.92 0.08 0.45 -1.21 117.98 123.59 1tsy s PHE 255 Ca 0.15 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1tsy s PHE 255 Cb -0.12 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1tsy s PHE 255 CO 0.04 0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 1tsy n GLY 256 N 0.77 -0.20 3.33 4.36 0.00 0.06 -3.11 105.19 110.40 1tsy n GLY 256 Ca -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 1tsy n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tsy s ASP 257 N -0.94 6.48 -0.07 1.61 2.15 0.42 -0.90 116.67 125.43 1tsy s ASP 257 Ca 0.00 -2.22 -0.27 0.00 0.43 0.00 0.00 52.55 50.49 1tsy s ASP 257 Cb 0.00 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1tsy s ASP 257 CO 0.00 -0.74 0.89 0.00 -0.17 0.00 0.00 175.17 175.15 1tsy s ALA 258 N 0.99 3.31 0.03 3.66 0.00 -0.77 -1.29 121.76 127.70 1tsy s ALA 258 Ca 0.12 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1tsy s ALA 258 Cb -0.19 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1tsy s ALA 258 CO -0.03 -0.34 0.03 -3.38 0.00 0.00 0.00 175.76 172.03 1tsy s HIS 259 N 1.35 0.29 -0.14 0.00 -0.00 0.11 -2.13 115.29 114.77 1tsy s HIS 259 Ca 0.45 -0.63 0.02 0.00 -0.00 0.00 0.00 55.06 54.90 1tsy s HIS 259 Cb -0.19 -0.21 0.00 0.00 -0.00 0.00 0.00 32.58 32.18 1tsy s HIS 259 CO 0.21 -0.31 -0.21 -1.17 -0.00 0.00 0.00 174.74 173.26 1tsy s LEU 260 N -2.06 2.21 0.26 5.38 0.20 -0.41 -0.47 118.68 123.78 1tsy s LEU 260 Ca -0.06 -0.56 -0.29 0.00 0.69 0.00 0.00 54.13 53.91 1tsy s LEU 260 Cb -0.02 -1.47 -0.09 0.00 -0.43 0.00 0.00 46.19 44.18 1tsy s LEU 260 CO -0.04 0.10 0.97 -0.31 -0.29 0.00 0.00 176.35 176.77 1tsy s TYR 261 N 0.71 3.87 0.55 5.38 2.02 -1.26 -0.47 117.35 128.15 1tsy s TYR 261 Ca -0.09 1.86 0.32 0.00 -0.37 0.00 0.00 57.07 58.79 1tsy s TYR 261 Cb -0.16 -3.02 1.47 0.00 -0.40 0.00 0.00 41.96 39.85 1tsy s TYR 261 CO 0.01 0.25 1.85 -0.39 -1.57 0.00 0.00 175.55 175.70 1tsy h VAL 262 N 3.06 0.46 -0.23 0.71 -1.51 -1.55 -2.11 116.25 115.08 1tsy h VAL 262 Ca -0.46 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1tsy h VAL 262 Cb 1.20 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 1tsy h VAL 262 CO 0.67 0.00 0.04 -0.46 -1.23 0.00 0.00 177.57 176.60 1tsy n ASN 263 N -4.08 2.78 0.00 4.19 6.94 -1.26 -3.50 115.26 120.34 1tsy n ASN 263 Ca 0.17 -2.37 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1tsy n ASN 263 Cb 0.97 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 1tsy n ASN 263 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1tsy n HIS 264 N 0.16 0.00 -0.18 -2.53 8.25 -0.79 -4.64 115.22 115.50 1tsy n HIS 264 Ca 0.12 -0.07 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1tsy n HIS 264 Cb 0.65 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.78 1tsy n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1tsy h LEU 265 N 0.00 0.58 -1.02 2.41 3.38 -1.71 0.16 115.31 119.10 1tsy h LEU 265 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1tsy h LEU 265 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1tsy h LEU 265 CO 0.00 0.41 -0.16 0.44 0.09 0.00 0.00 178.44 179.23 1tsy h ASP 266 N 0.69 0.51 -0.18 -0.43 3.32 -1.89 -0.21 116.42 118.23 1tsy h ASP 266 Ca 0.20 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1tsy h ASP 266 Cb -0.05 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1tsy h ASP 266 CO -0.06 0.69 -0.30 1.56 -1.72 0.00 0.00 179.24 179.42 1tsy h GLN 267 N 0.48 0.52 -0.66 3.56 7.50 -1.81 -1.84 115.11 122.86 1tsy h GLN 267 Ca 0.08 -0.32 -0.08 0.00 0.50 0.00 0.00 58.65 58.84 1tsy h GLN 267 Cb 0.55 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.09 1tsy h GLN 267 CO 0.04 0.92 0.12 0.97 -1.50 0.00 0.00 178.83 179.37 1tsy h ILE 268 N 0.17 1.26 -0.91 2.54 6.09 -0.48 -1.80 117.51 124.39 1tsy h ILE 268 Ca 0.01 -1.01 -0.01 0.00 -1.37 0.00 0.00 64.86 62.48 1tsy h ILE 268 Cb 0.88 0.65 -0.04 0.00 0.47 0.00 0.00 36.82 38.77 1tsy h ILE 268 CO 0.07 0.38 0.53 0.11 -3.07 0.00 0.00 178.15 176.17 1tsy h LYS 269 N 1.00 1.24 -0.04 2.19 1.57 -0.95 -1.33 116.57 120.25 1tsy h LYS 269 Ca 0.20 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1tsy h LYS 269 Cb 0.42 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1tsy h LYS 269 CO 0.01 0.88 0.01 1.49 -0.57 0.00 0.00 179.45 181.27 1tsy h GLU 270 N 1.25 0.07 -0.97 3.15 4.22 -0.97 -2.69 114.58 118.63 1tsy h GLU 270 Ca 0.32 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.84 1tsy h GLU 270 Cb -0.03 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1tsy h GLU 270 CO -0.06 0.27 0.62 0.37 -2.18 0.00 0.00 179.01 178.03 1tsy h GLN 271 N -0.15 0.99 0.00 1.92 4.15 -0.88 0.74 115.11 121.87 1tsy h GLN 271 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1tsy h GLN 271 Cb 0.24 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1tsy h GLN 271 CO 0.00 0.65 0.00 -0.07 -1.93 0.00 0.00 178.83 177.48 1tsy h LEU 272 N 1.02 0.00 -1.08 -2.39 3.38 -0.91 -0.12 115.31 115.20 1tsy h LEU 272 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1tsy h LEU 272 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1tsy h LEU 272 CO -0.21 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.78 1tsy n SER 273 N -2.51 1.65 -4.91 -0.43 3.41 0.25 -4.88 113.62 106.20 1tsy n SER 273 Ca -0.02 -1.62 -0.30 0.00 -0.26 0.00 0.00 58.87 56.68 1tsy n SER 273 Cb 0.07 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 1tsy n SER 273 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1tsy s ARG 274 N -1.89 3.58 -0.26 4.33 0.52 -0.06 -5.08 118.95 120.09 1tsy s ARG 274 Ca 0.35 -0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 55.33 1tsy s ARG 274 Cb 0.19 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 1tsy s ARG 274 CO 0.30 0.41 0.05 0.99 0.02 0.00 0.00 175.30 177.07 1tsy s THR 275 N -1.79 4.00 0.38 0.02 2.01 -1.26 -5.04 115.64 113.95 1tsy s THR 275 Ca 0.41 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 61.74 1tsy s THR 275 Cb -0.12 -2.93 -0.13 0.00 0.01 0.00 0.00 72.50 69.34 1tsy s THR 275 CO 0.27 0.26 0.70 -2.65 -0.69 0.00 0.00 174.62 172.51 1tsy n PRO 276 N 4.88 0.78 -3.74 4.92 -0.02 -1.26 -4.88 135.00 135.67 1tsy n PRO 276 Ca -0.16 0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 1tsy n PRO 276 Cb 0.50 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1tsy n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1tsy s ARG 277 N -1.59 2.37 0.60 -0.52 0.52 -1.26 -5.04 118.95 114.02 1tsy s ARG 277 Ca 0.62 -1.77 -0.19 0.00 -0.52 0.00 0.00 55.73 53.87 1tsy s ARG 277 Cb -0.65 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1tsy s ARG 277 CO 0.58 -0.38 1.20 -2.30 0.02 0.00 0.00 175.30 174.42 1tsy n PRO 278 N -1.62 1.22 -2.82 3.54 -0.02 -1.26 -4.89 135.00 129.15 1tsy n PRO 278 Ca 0.02 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1tsy n PRO 278 Cb 0.63 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1tsy n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tsy s ALA 279 N -1.39 3.08 0.87 3.55 0.00 -1.26 -4.82 121.76 121.79 1tsy s ALA 279 Ca 0.77 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1tsy s ALA 279 Cb -0.41 -3.09 0.12 0.00 0.00 0.00 0.00 23.12 19.74 1tsy s ALA 279 CO 0.46 0.11 1.09 -1.25 0.00 0.00 0.00 175.76 176.17 1tsy s PRO 280 N -3.26 1.43 -0.07 0.00 0.04 -1.26 -4.73 135.00 127.15 1tsy s PRO 280 Ca 0.60 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.57 1tsy s PRO 280 Cb -0.09 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1tsy s PRO 280 CO 0.16 -2.14 -0.17 0.99 0.04 0.00 0.00 177.00 175.88 1tsy s THR 281 N -2.92 2.82 0.04 1.26 2.01 -0.11 -0.84 115.64 117.90 1tsy s THR 281 Ca 0.63 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 1tsy s THR 281 Cb -0.18 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1tsy s THR 281 CO 0.57 0.57 0.35 -0.22 -0.69 0.00 0.00 174.62 175.20 1tsy s LEU 282 N -0.37 4.37 -0.05 4.42 2.96 -1.26 0.19 118.68 128.94 1tsy s LEU 282 Ca 0.03 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1tsy s LEU 282 Cb -0.12 -2.81 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1tsy s LEU 282 CO 0.02 0.22 0.04 -1.58 -1.32 0.00 0.00 176.35 173.74 1tsy s GLN 283 N -1.74 0.10 0.15 1.98 0.74 -0.07 -4.97 119.66 115.84 1tsy s GLN 283 Ca 0.30 0.30 0.05 0.00 0.05 0.00 0.00 55.36 56.05 1tsy s GLN 283 Cb -0.14 -0.61 -0.04 0.00 1.10 0.00 0.00 33.01 33.33 1tsy s GLN 283 CO 0.16 -0.31 0.11 -0.51 -0.55 0.00 0.00 175.29 174.20 1tsy s LEU 284 N 2.04 3.74 -0.13 3.68 1.43 -1.26 -0.83 118.68 127.35 1tsy s LEU 284 Ca 0.04 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1tsy s LEU 284 Cb -0.12 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 1tsy s LEU 284 CO -0.03 0.08 2.14 -3.20 0.23 0.00 0.00 176.35 175.57 1tsy n ASN 285 N -0.22 3.57 -0.01 2.29 2.85 -0.16 -4.86 115.26 118.72 1tsy n ASN 285 Ca -0.09 0.44 -0.04 0.00 -0.11 0.00 0.00 54.58 54.78 1tsy n ASN 285 Cb 0.54 -1.55 0.20 0.00 1.24 0.00 0.00 39.78 40.21 1tsy n ASN 285 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1tsy h PRO 286 N 13.58 0.54 -0.12 1.20 0.13 -1.97 -3.24 132.00 142.13 1tsy h PRO 286 Ca -0.44 -0.19 -0.06 0.00 -0.87 0.00 0.00 66.00 64.44 1tsy h PRO 286 Cb 1.24 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1tsy h PRO 286 CO 0.95 0.72 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.83 1tsy h ASP 287 N 0.49 0.36 -3.37 1.44 3.32 -2.02 -3.43 116.42 113.21 1tsy h ASP 287 Ca 0.08 -0.52 -0.56 0.00 0.02 0.00 0.00 57.03 56.05 1tsy h ASP 287 Cb 0.62 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1tsy h ASP 287 CO 0.04 0.81 0.07 -0.75 -1.72 0.00 0.00 179.24 177.70 1tsy s LYS 288 N -4.14 4.42 0.00 3.56 2.20 -1.22 -4.96 119.74 119.60 1tsy s LYS 288 Ca -0.14 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1tsy s LYS 288 Cb 0.05 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1tsy s LYS 288 CO 0.75 0.22 0.00 0.72 -0.36 0.00 0.00 175.35 176.68 1tsy n HIS 289 N 3.18 0.00 -2.49 4.03 8.25 -1.26 -4.74 115.22 122.19 1tsy n HIS 289 Ca -0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 1tsy n HIS 289 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 1tsy n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1tsy s ASP 290 N -1.65 6.21 0.63 0.41 -1.08 -1.26 -4.31 116.67 115.61 1tsy s ASP 290 Ca 0.00 -0.89 0.35 0.00 -0.52 0.00 0.00 52.55 51.49 1tsy s ASP 290 Cb 0.00 -2.56 1.91 0.00 -1.46 0.00 0.00 42.92 40.81 1tsy s ASP 290 CO 0.00 -1.77 2.07 0.16 0.52 0.00 0.00 175.17 176.15 1tsy h ILE 291 N 6.52 0.00 0.00 4.11 3.07 -1.91 -0.56 117.51 128.74 1tsy h ILE 291 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1tsy h ILE 291 Cb 1.03 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 1tsy h ILE 291 CO 1.34 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 178.18 1tsy h PHE 292 N 0.00 0.00 -0.76 0.16 0.04 -1.89 -3.00 116.94 111.48 1tsy h PHE 292 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 1tsy h PHE 292 Cb 0.33 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.28 1tsy h PHE 292 CO 0.00 0.00 0.37 -0.25 -0.60 0.00 0.00 178.31 177.83 1tsy n ASP 293 N -2.99 3.89 -4.90 2.17 8.00 -0.22 -4.72 116.55 117.79 1tsy n ASP 293 Ca 0.03 -3.49 -0.28 0.00 0.71 0.00 0.00 54.79 51.77 1tsy n ASP 293 Cb 0.47 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 1tsy n ASP 293 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1tsy s PHE 294 N -3.17 3.51 0.07 1.24 0.40 -1.13 -5.00 117.98 113.89 1tsy s PHE 294 Ca 0.54 0.81 -0.06 0.00 -0.60 0.00 0.00 56.93 57.62 1tsy s PHE 294 Cb 0.45 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1tsy s PHE 294 CO 0.10 -0.10 0.12 0.34 0.70 0.00 0.00 175.22 176.38 1tsy s ASP 295 N -3.61 0.22 0.08 1.36 2.15 -1.26 -5.03 116.67 110.58 1tsy s ASP 295 Ca 0.47 -0.73 -0.10 0.00 0.43 0.00 0.00 52.55 52.62 1tsy s ASP 295 Cb -0.10 0.29 0.03 0.00 -0.30 0.00 0.00 42.92 42.84 1tsy s ASP 295 CO 0.37 -0.67 0.65 0.23 -0.17 0.00 0.00 175.17 175.58 1tsy n MET 296 N 0.08 -0.15 0.27 4.34 2.81 -1.26 0.28 117.12 123.49 1tsy n MET 296 Ca -0.15 0.64 0.17 0.00 -1.81 0.00 0.00 57.70 56.55 1tsy n MET 296 Cb 0.62 -0.94 0.84 0.00 -0.71 0.00 0.00 33.22 33.03 1tsy n MET 296 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1tsy h LYS 297 N 0.00 0.00 0.00 0.03 2.10 -2.03 -2.01 116.57 114.65 1tsy h LYS 297 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1tsy h LYS 297 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1tsy h LYS 297 CO -0.40 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.80 1tsy n ASP 298 N -3.20 0.00 -3.80 7.07 8.00 0.14 -4.71 116.55 120.06 1tsy n ASP 298 Ca 0.00 -0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.16 1tsy n ASP 298 Cb 0.40 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.04 1tsy n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1tsy s ILE 299 N -2.57 0.46 -0.02 0.53 1.01 -0.76 -0.98 121.20 118.86 1tsy s ILE 299 Ca 0.27 0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1tsy s ILE 299 Cb 0.19 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1tsy s ILE 299 CO 0.43 0.27 -0.13 -1.59 0.00 0.00 0.00 174.94 173.93 1tsy s LYS 300 N 1.85 1.17 -0.12 2.79 0.00 -0.01 -4.98 119.74 120.43 1tsy s LYS 300 Ca 0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 55.97 55.42 1tsy s LYS 300 Cb -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 37.83 36.57 1tsy s LYS 300 CO -0.05 0.22 0.32 -1.17 0.00 0.00 0.00 175.35 174.67 1tsy s LEU 301 N -0.08 4.31 0.15 2.77 2.96 -1.26 -0.90 118.68 126.63 1tsy s LEU 301 Ca 0.01 0.62 0.10 0.00 -0.22 0.00 0.00 54.13 54.64 1tsy s LEU 301 Cb -0.07 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1tsy s LEU 301 CO 0.00 0.17 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.23 1tsy s LEU 302 N 0.03 2.57 -1.33 -0.68 1.43 0.13 -4.76 118.68 116.07 1tsy s LEU 302 Ca 0.19 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1tsy s LEU 302 Cb -0.14 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.77 1tsy s LEU 302 CO 0.06 0.15 0.50 0.59 0.23 0.00 0.00 176.35 177.88 1tsy n ASN 303 N 0.54 -4.23 -4.60 2.29 3.02 -1.26 -0.93 115.26 110.09 1tsy n ASN 303 Ca -0.14 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 1tsy n ASN 303 Cb 0.54 -3.48 -0.05 0.00 -0.61 0.00 0.00 39.78 36.18 1tsy n ASN 303 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1tsy s TYR 304 N -2.97 3.18 -0.47 3.10 5.04 -1.26 -4.17 117.35 119.80 1tsy s TYR 304 Ca 0.36 0.66 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1tsy s TYR 304 Cb -0.19 -3.20 0.16 0.00 0.35 0.00 0.00 41.96 39.08 1tsy s TYR 304 CO 0.45 -0.59 0.34 0.34 -1.34 0.00 0.00 175.55 174.75 1tsy s ASP 305 N 1.69 2.77 0.86 4.32 2.15 -1.26 -5.07 116.67 122.13 1tsy s ASP 305 Ca 0.30 -3.05 -0.10 0.00 0.43 0.00 0.00 52.55 50.13 1tsy s ASP 305 Cb -0.14 -0.81 0.16 0.00 -0.30 0.00 0.00 42.92 41.84 1tsy s ASP 305 CO 0.14 -0.19 1.19 -2.16 -0.17 0.00 0.00 175.17 173.98 1tsy s PRO 306 N -0.09 1.11 0.72 4.34 0.04 -1.26 -4.93 135.00 134.92 1tsy s PRO 306 Ca 0.26 -0.63 -0.06 0.00 0.04 0.00 0.00 61.00 60.62 1tsy s PRO 306 Cb -0.07 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1tsy s PRO 306 CO -0.13 -2.00 1.02 0.71 0.04 0.00 0.00 177.00 176.64 1tsy s TYR 307 N -3.59 2.53 0.86 0.56 1.51 0.52 -4.90 117.35 114.83 1tsy s TYR 307 Ca 0.70 0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 56.90 1tsy s TYR 307 Cb -0.05 -3.22 0.11 0.00 -0.11 0.00 0.00 41.96 38.70 1tsy s TYR 307 CO 0.49 -1.54 1.16 -1.25 -1.11 0.00 0.00 175.55 173.30 1tsy s PRO 308 N -5.24 1.41 0.82 -1.71 0.04 -1.26 -2.61 135.00 126.45 1tsy s PRO 308 Ca 0.62 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1tsy s PRO 308 Cb -0.09 -1.77 0.09 0.00 0.04 0.00 0.00 34.50 32.77 1tsy s PRO 308 CO 0.45 -2.34 1.10 0.00 0.04 0.00 0.00 177.00 176.24 1tsy s ALA 309 N -2.52 1.96 -0.20 8.56 0.00 -1.26 -3.71 121.76 124.59 1tsy s ALA 309 Ca 0.68 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1tsy s ALA 309 Cb -0.24 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.63 1tsy s ALA 309 CO 0.55 -2.06 -0.15 0.42 0.00 0.00 0.00 175.76 174.51 1tsy s ILE 310 N -2.86 1.96 0.24 0.00 1.01 -1.26 -4.90 121.20 115.38 1tsy s ILE 310 Ca 0.62 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1tsy s ILE 310 Cb -0.18 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.31 1tsy s ILE 310 CO 0.57 0.32 0.79 -0.75 0.00 0.00 0.00 174.94 175.87 1tsy s LYS 311 N 1.29 4.39 -0.13 2.79 2.47 -1.26 -5.07 119.74 124.22 1tsy s LYS 311 Ca 0.00 1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 55.16 1tsy s LYS 311 Cb -0.15 -2.91 0.08 0.00 -1.46 0.00 0.00 37.83 33.39 1tsy s LYS 311 CO -0.10 0.39 0.75 0.00 0.16 0.00 0.00 175.35 176.55 1tsy s ALA 312 N -1.50 -1.81 0.04 3.13 0.00 -1.26 -4.98 121.76 115.39 1tsy s ALA 312 Ca 0.44 1.54 -0.31 0.00 0.00 0.00 0.00 51.96 53.64 1tsy s ALA 312 Cb -0.18 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1tsy s ALA 312 CO 0.22 -0.35 1.34 -1.25 0.00 0.00 0.00 175.76 175.73 1tsy s PRO 313 N -0.75 4.33 0.39 0.00 0.04 -1.26 -5.01 135.00 132.74 1tsy s PRO 313 Ca -0.07 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 1tsy s PRO 313 Cb -0.01 -3.43 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 1tsy s PRO 313 CO 0.06 -0.46 1.14 0.54 0.04 0.00 0.00 177.00 178.32 1tsy s VAL 314 N 1.73 3.28 -0.68 -0.36 0.11 -1.26 -4.94 120.40 118.28 1tsy s VAL 314 Ca 0.62 1.07 -0.25 0.00 -2.93 0.00 0.00 61.98 60.50 1tsy s VAL 314 Cb -0.32 -3.60 0.05 0.00 -1.53 0.00 0.00 36.38 30.98 1tsy s VAL 314 CO 0.28 0.09 1.10 0.00 -3.33 0.00 0.00 175.10 173.24 1tsy s ALA 315 N -1.44 2.96 0.00 1.54 0.00 -1.26 -5.11 121.76 118.45 1tsy s ALA 315 Ca 0.56 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1tsy s ALA 315 Cb -0.29 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1tsy s ALA 315 CO 0.37 -2.96 0.43 0.28 0.00 0.00 0.00 175.76 173.88