#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nix s VAL 6 N 0.00 2.98 -0.03 0.58 -7.23 0.39 -4.90 120.40 112.19 3nix s VAL 6 Ca 0.00 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 3nix s VAL 6 Cb 0.00 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 3nix s VAL 6 CO 0.00 -0.24 0.53 0.44 -0.31 0.00 0.00 175.10 175.52 3nix h ASP 7 N 1.72 -0.32 -3.32 4.85 3.32 -1.66 -3.20 116.42 117.82 3nix h ASP 7 Ca -0.43 0.01 -0.67 0.00 0.02 0.00 0.00 57.03 55.96 3nix h ASP 7 Cb 1.25 0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.58 3nix h ASP 7 CO 0.64 0.01 -0.83 -0.69 -1.72 0.00 0.00 179.24 176.64 3nix s VAL 8 N -2.83 2.45 -0.32 -1.35 1.01 -1.01 -0.88 120.40 117.48 3nix s VAL 8 Ca -0.06 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3nix s VAL 8 Cb 0.01 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3nix s VAL 8 CO 0.17 0.54 0.19 -0.22 0.00 0.00 0.00 175.10 175.78 3nix s LEU 9 N 0.43 4.27 -0.39 3.92 2.96 0.22 -3.00 118.68 127.09 3nix s LEU 9 Ca -0.14 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.13 3nix s LEU 9 Cb -0.17 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3nix s LEU 9 CO 0.06 -0.21 0.48 -0.69 -1.32 0.00 0.00 176.35 174.68 3nix s VAL 10 N 1.66 5.04 -0.63 1.68 1.01 -0.22 -1.35 120.40 127.59 3nix s VAL 10 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 3nix s VAL 10 Cb -0.17 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.28 3nix s VAL 10 CO 0.08 -0.33 0.87 -0.63 0.00 0.00 0.00 175.10 175.09 3nix s ILE 11 N 2.30 4.50 0.00 2.22 1.01 -0.58 -1.17 121.20 129.48 3nix s ILE 11 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3nix s ILE 11 Cb -0.16 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.70 3nix s ILE 11 CO 0.14 -1.32 0.00 0.61 0.00 0.00 0.00 174.94 174.37 3nix n GLY 12 N 5.30 3.53 2.38 6.18 0.00 -0.81 -0.73 105.19 121.04 3nix n GLY 12 Ca -0.05 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3nix n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nix n ALA 13 N 0.47 6.18 -2.02 4.61 0.00 -1.26 -4.11 120.51 124.38 3nix n ALA 13 Ca 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 53.44 49.80 3nix n ALA 13 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3nix n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nix n GLY 14 N -0.83 0.41 0.36 0.00 0.00 -1.26 -4.68 105.19 99.19 3nix n GLY 14 Ca 0.59 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.77 3nix n GLY 14 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3nix h PRO 15 N 0.00 0.81 -0.02 1.61 0.11 -1.92 0.16 132.00 132.75 3nix h PRO 15 Ca -0.01 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 3nix h PRO 15 Cb 0.03 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 30.97 3nix h PRO 15 CO 0.01 0.54 -0.78 0.00 -0.21 0.00 0.00 178.00 177.56 3nix h ALA 16 N 1.57 0.12 0.01 -0.75 0.00 -1.89 -2.97 119.26 115.35 3nix h ALA 16 Ca 0.36 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3nix h ALA 16 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3nix h ALA 16 CO -0.14 0.50 -0.00 0.78 0.00 0.00 0.00 179.25 180.39 3nix h GLY 17 N 0.15 -0.01 0.94 0.00 0.00 -1.61 -1.21 103.07 101.33 3nix h GLY 17 Ca -0.09 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.26 3nix h GLY 17 CO 0.15 -0.01 0.46 -0.91 0.00 0.00 0.00 176.54 176.24 3nix h THR 18 N -0.14 1.14 -0.19 4.70 1.35 -0.78 0.85 112.91 119.84 3nix h THR 18 Ca -0.00 -0.32 -0.20 0.00 -0.55 0.00 0.00 66.41 65.34 3nix h THR 18 Cb 0.13 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 3nix h THR 18 CO 0.00 0.17 -0.66 0.58 -0.25 0.00 0.00 175.52 175.36 3nix h VAL 19 N 0.93 1.30 0.22 6.82 2.07 -1.53 -1.59 116.25 124.47 3nix h VAL 19 Ca 0.27 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3nix h VAL 19 Cb -0.05 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3nix h VAL 19 CO -0.08 0.60 -0.21 0.00 0.02 0.00 0.00 177.57 177.90 3nix h ALA 20 N 0.72 -0.43 -0.69 1.67 0.00 -1.02 -2.47 119.26 117.04 3nix h ALA 20 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3nix h ALA 20 Cb 1.27 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3nix h ALA 20 CO 0.14 -0.77 0.42 0.00 0.00 0.00 0.00 179.25 179.03 3nix h ALA 21 N 0.26 0.88 -0.86 0.00 0.00 -0.74 -1.88 119.26 116.91 3nix h ALA 21 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3nix h ALA 21 Cb 0.42 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3nix h ALA 21 CO -0.04 0.35 0.57 1.03 0.00 0.00 0.00 179.25 181.15 3nix h SER 22 N 0.94 0.99 -0.04 0.00 0.87 -1.26 0.14 113.55 115.19 3nix h SER 22 Ca 0.25 -0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.55 3nix h SER 22 Cb -0.03 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3nix h SER 22 CO -0.05 0.72 -0.84 -0.07 -0.53 0.00 0.00 176.83 176.06 3nix h LEU 23 N 1.17 0.86 -0.49 2.23 3.38 -1.04 -0.97 115.31 120.46 3nix h LEU 23 Ca 0.31 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3nix h LEU 23 Cb -0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 3nix h LEU 23 CO -0.07 1.39 0.03 0.58 0.09 0.00 0.00 178.44 180.47 3nix h VAL 24 N 0.46 1.26 -0.08 1.22 2.07 -1.20 -2.87 116.25 117.11 3nix h VAL 24 Ca -0.07 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 3nix h VAL 24 Cb 1.47 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3nix h VAL 24 CO 0.17 0.36 -0.28 -1.13 0.02 0.00 0.00 177.57 176.70 3nix h ASN 25 N 0.70 0.13 0.27 0.57 -0.73 -0.69 -2.83 115.58 113.00 3nix h ASN 25 Ca 0.14 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3nix h ASN 25 Cb 0.46 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.02 3nix h ASN 25 CO 0.02 0.42 0.00 1.17 -0.37 0.00 0.00 177.43 178.67 3nix n LYS 26 N -4.16 0.12 -0.04 6.67 4.81 -0.37 -3.13 118.16 122.05 3nix n LYS 26 Ca -0.01 0.22 0.02 0.00 -0.87 0.00 0.00 58.31 57.66 3nix n LYS 26 Cb 0.36 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.95 3nix n LYS 26 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3nix n SER 27 N -1.35 2.20 0.00 3.14 7.64 -1.07 -4.99 113.62 119.20 3nix n SER 27 Ca 0.05 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.74 3nix n SER 27 Cb 0.10 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3nix n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3nix n GLY 28 N -0.53 2.91 3.81 0.23 0.00 -1.19 -5.06 105.19 105.37 3nix n GLY 28 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3nix n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nix s PHE 29 N -2.83 3.05 -0.23 1.61 0.40 -1.24 -5.02 117.98 113.72 3nix s PHE 29 Ca 0.00 1.46 -0.08 0.00 -0.60 0.00 0.00 56.93 57.71 3nix s PHE 29 Cb 0.00 -2.93 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 3nix s PHE 29 CO 0.00 -1.21 0.08 0.15 0.70 0.00 0.00 175.22 174.94 3nix s LYS 30 N -4.69 3.79 -0.00 0.44 -0.14 -1.26 -4.35 119.74 113.52 3nix s LYS 30 Ca 0.60 -0.42 0.05 0.00 -1.36 0.00 0.00 55.97 54.84 3nix s LYS 30 Cb -0.15 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.68 3nix s LYS 30 CO 0.49 -0.02 -0.15 0.54 -0.76 0.00 0.00 175.35 175.45 3nix s VAL 31 N 1.18 1.17 0.11 3.17 0.11 -1.26 -2.05 120.40 122.83 3nix s VAL 31 Ca 0.05 -0.70 0.10 0.00 -2.93 0.00 0.00 61.98 58.50 3nix s VAL 31 Cb -0.14 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 3nix s VAL 31 CO 0.04 0.28 -0.22 -0.75 -3.33 0.00 0.00 175.10 171.12 3nix s LYS 32 N -0.48 1.67 -0.22 1.54 2.20 -1.16 -3.29 119.74 120.00 3nix s LYS 32 Ca 0.05 -1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 54.39 3nix s LYS 32 Cb -0.06 -2.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 3nix s LYS 32 CO -0.00 0.48 -0.00 0.42 -0.36 0.00 0.00 175.35 175.88 3nix s ILE 33 N -1.07 3.80 -0.37 5.43 1.01 -0.18 -1.05 121.20 128.76 3nix s ILE 33 Ca 0.16 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 3nix s ILE 33 Cb -0.10 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3nix s ILE 33 CO 0.08 0.41 0.42 0.68 0.00 0.00 0.00 174.94 176.52 3nix s VAL 34 N 1.32 5.11 -0.15 2.92 -7.23 -0.31 -1.25 120.40 120.80 3nix s VAL 34 Ca 0.04 -0.02 -0.04 0.00 -1.81 0.00 0.00 61.98 60.15 3nix s VAL 34 Cb -0.15 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 32.84 3nix s VAL 34 CO 0.00 -0.23 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.83 3nix s GLU 35 N 2.15 3.62 0.12 4.82 2.56 0.25 -1.93 118.70 130.28 3nix s GLU 35 Ca 0.13 -0.50 -0.14 0.00 0.00 0.00 0.00 54.97 54.47 3nix s GLU 35 Cb -0.16 -2.92 -0.04 0.00 2.00 0.00 0.00 34.13 33.00 3nix s GLU 35 CO 0.13 0.30 1.50 -0.22 -0.56 0.00 0.00 175.26 176.41 3nix h LYS 36 N 6.52 0.75 -6.45 4.30 3.64 -1.77 0.24 116.57 123.79 3nix h LYS 36 Ca -0.34 -0.31 -0.44 0.00 -1.27 0.00 0.00 60.65 58.29 3nix h LYS 36 Cb 1.19 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3nix h LYS 36 CO 0.63 0.92 -0.26 -0.65 -2.27 0.00 0.00 179.45 177.82 3nix s GLN 37 N -4.68 3.00 0.12 1.90 -0.21 -1.26 -3.22 119.66 115.31 3nix s GLN 37 Ca -0.12 -0.96 -0.23 0.00 0.02 0.00 0.00 55.36 54.06 3nix s GLN 37 Cb 0.10 -2.74 -0.07 0.00 1.00 0.00 0.00 33.01 31.30 3nix s GLN 37 CO 0.82 -0.13 0.70 0.21 -2.12 0.00 0.00 175.29 174.77 3nix s LYS 38 N -4.32 4.44 0.02 2.91 2.20 -1.26 -2.70 119.74 121.02 3nix s LYS 38 Ca 0.49 1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 57.01 3nix s LYS 38 Cb -0.10 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3nix s LYS 38 CO 0.33 0.57 0.32 -0.06 -0.36 0.00 0.00 175.35 176.15 3nix s PHE 39 N -1.03 3.61 0.66 4.03 0.40 -1.26 -3.72 117.98 120.67 3nix s PHE 39 Ca 0.34 0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 57.27 3nix s PHE 39 Cb -0.22 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 3nix s PHE 39 CO 0.23 0.60 1.05 -1.25 0.70 0.00 0.00 175.22 176.55 3nix s PRO 40 N -1.62 3.17 0.05 0.24 0.04 -1.26 -5.11 135.00 130.50 3nix s PRO 40 Ca 0.27 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 3nix s PRO 40 Cb -0.14 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3nix s PRO 40 CO 0.15 -0.81 -0.03 -0.98 0.04 0.00 0.00 177.00 175.37 3nix s ARG 41 N -5.25 0.56 0.29 4.56 3.03 -1.24 -5.05 118.95 115.84 3nix s ARG 41 Ca 0.56 -1.09 -0.29 0.00 2.03 0.00 0.00 55.73 56.95 3nix s ARG 41 Cb -0.11 0.15 -0.09 0.00 -1.03 0.00 0.00 34.95 33.87 3nix s ARG 41 CO 0.52 -0.09 1.07 0.12 -1.13 0.00 0.00 175.30 175.79 3nix s PHE 42 N -3.33 3.60 -0.11 5.89 5.36 -1.26 -3.50 117.98 124.63 3nix s PHE 42 Ca 0.02 1.73 -0.21 0.00 -0.96 0.00 0.00 56.93 57.51 3nix s PHE 42 Cb 0.04 -3.21 0.05 0.00 -0.34 0.00 0.00 43.02 39.56 3nix s PHE 42 CO -0.08 -0.39 0.52 0.54 -1.46 0.00 0.00 175.22 174.36 3nix s VAL 43 N -1.24 0.01 0.85 3.12 0.11 -1.26 -4.98 120.40 117.01 3nix s VAL 43 Ca 0.46 -0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 3nix s VAL 43 Cb -0.29 -0.79 0.12 0.00 -1.53 0.00 0.00 36.38 33.89 3nix s VAL 43 CO 0.38 -0.07 1.20 -0.51 -3.33 0.00 0.00 175.10 172.77 3nix s ILE 44 N -0.57 2.04 0.00 7.04 1.10 -1.26 -4.46 121.20 125.10 3nix s ILE 44 Ca -0.07 -0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.01 3nix s ILE 44 Cb -0.03 -2.98 0.00 0.00 0.15 0.00 0.00 42.46 39.60 3nix s ILE 44 CO 0.04 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.48 3nix n GLY 45 N -3.41 0.73 0.00 1.50 0.00 -1.26 -5.00 105.19 97.75 3nix n GLY 45 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.50 3nix n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nix n GLU 46 N 0.00 4.15 -3.50 1.61 1.02 -1.26 -4.81 120.64 117.84 3nix n GLU 46 Ca 0.00 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 3nix n GLU 46 Cb 0.00 -0.76 -0.10 0.00 -0.02 0.00 0.00 31.44 30.56 3nix n GLU 46 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3nix s SER 47 N -1.58 6.11 0.57 1.62 0.15 -1.26 -1.11 113.70 118.20 3nix s SER 47 Ca 0.00 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 3nix s SER 47 Cb 0.02 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.20 3nix s SER 47 CO 0.10 -0.14 0.82 -0.76 1.20 0.00 0.00 173.24 174.45 3nix s LEU 48 N 1.88 3.22 0.07 3.45 1.02 -1.07 -4.75 118.68 122.49 3nix s LEU 48 Ca 0.10 0.13 0.09 0.00 0.02 0.00 0.00 54.13 54.47 3nix s LEU 48 Cb -0.16 -2.97 -0.03 0.00 0.02 0.00 0.00 46.19 43.05 3nix s LEU 48 CO 0.11 -1.18 -0.24 -0.76 0.02 0.00 0.00 176.35 174.29 3nix s LEU 49 N -4.84 2.33 0.54 1.79 1.43 -1.26 -4.69 118.68 113.97 3nix s LEU 49 Ca 0.57 -0.59 0.28 0.00 -1.03 0.00 0.00 54.13 53.36 3nix s LEU 49 Cb -0.10 -1.34 1.44 0.00 0.03 0.00 0.00 46.19 46.22 3nix s LEU 49 CO 0.40 0.23 1.95 -0.65 0.23 0.00 0.00 176.35 178.51 3nix h PRO 50 N 4.45 0.00 -1.03 1.29 0.11 -1.74 -1.10 132.00 133.98 3nix h PRO 50 Ca -0.48 0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.89 3nix h PRO 50 Cb 1.15 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 3nix h PRO 50 CO 0.43 0.00 0.66 -0.09 -0.21 0.00 0.00 178.00 178.79 3nix h ARG 51 N 0.00 0.41 -2.45 1.05 9.65 -1.41 -3.36 114.38 118.27 3nix h ARG 51 Ca 0.31 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.95 3nix h ARG 51 Cb 1.28 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 3nix h ARG 51 CO -0.00 0.27 0.53 0.00 2.80 0.00 0.00 179.97 183.57 3nix n GLU 54 N 2.90 0.00 0.04 0.00 1.02 -1.26 -0.53 120.64 122.81 3nix n GLU 54 Ca 0.38 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.38 3nix n GLU 54 Cb 0.59 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.87 3nix n GLU 54 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3nix h HIS 55 N 0.00 0.29 0.00 -0.32 3.86 -1.94 -2.83 115.15 114.21 3nix h HIS 55 Ca 0.00 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 3nix h HIS 55 Cb 0.00 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3nix h HIS 55 CO 0.00 1.28 -0.23 -0.07 0.86 0.00 0.00 177.93 179.76 3nix h LEU 56 N 0.04 0.00 0.21 2.43 4.07 -1.17 -1.77 115.31 119.13 3nix h LEU 56 Ca -0.24 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.40 3nix h LEU 56 Cb 1.98 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.75 3nix h LEU 56 CO 0.13 0.23 -1.48 -0.78 -1.08 0.00 0.00 178.44 175.47 3nix h ASP 57 N 0.00 0.69 1.56 -0.43 3.58 -1.79 0.40 116.42 120.43 3nix h ASP 57 Ca -0.00 -0.79 -0.07 0.00 0.42 0.00 0.00 57.03 56.59 3nix h ASP 57 Cb 0.47 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 3nix h ASP 57 CO 0.03 1.63 -0.31 -0.08 -2.88 0.00 0.00 179.24 177.62 3nix h GLU 58 N 0.12 0.00 -0.57 0.28 4.81 -1.33 -2.94 114.58 114.94 3nix h GLU 58 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3nix h GLU 58 Cb 2.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.49 3nix h GLU 58 CO 0.24 0.31 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 3nix n ALA 59 N -2.19 2.69 -2.80 2.92 0.00 -0.68 -4.93 120.51 115.53 3nix n ALA 59 Ca 0.02 -1.02 -0.21 0.00 0.00 0.00 0.00 53.44 52.23 3nix n ALA 59 Cb 0.63 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 19.11 3nix n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nix n GLY 60 N 1.10 -0.45 0.36 0.00 0.00 -1.11 -4.91 105.19 100.17 3nix n GLY 60 Ca 0.18 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3nix n GLY 60 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nix n PHE 61 N -4.33 0.00 0.13 1.61 3.72 0.09 -4.67 117.46 114.01 3nix n PHE 61 Ca -0.15 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.33 3nix n PHE 61 Cb 0.63 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.21 3nix n PHE 61 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3nix h LEU 62 N 1.76 0.00 -0.03 4.37 5.85 -1.75 -2.36 115.31 123.14 3nix h LEU 62 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3nix h LEU 62 Cb 0.54 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.59 3nix h LEU 62 CO 0.00 0.19 -0.60 0.44 -0.34 0.00 0.00 178.44 178.13 3nix h ASP 63 N 0.00 0.58 0.61 1.25 3.32 -1.88 -2.45 116.42 117.84 3nix h ASP 63 Ca -0.03 -0.72 -0.07 0.00 0.02 0.00 0.00 57.03 56.22 3nix h ASP 63 Cb 1.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3nix h ASP 63 CO 0.02 1.23 -0.35 0.00 -1.72 0.00 0.00 179.24 178.42 3nix h ALA 64 N 0.37 1.16 -0.07 3.45 0.00 -1.85 -1.57 119.26 120.75 3nix h ALA 64 Ca -0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3nix h ALA 64 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3nix h ALA 64 CO 0.12 0.44 -0.23 0.28 0.00 0.00 0.00 179.25 179.85 3nix h VAL 65 N 0.00 1.43 -0.49 0.00 2.07 -1.45 -3.19 116.25 114.61 3nix h VAL 65 Ca -0.00 -1.62 0.09 0.00 0.82 0.00 0.00 66.70 65.99 3nix h VAL 65 Cb 0.75 2.29 -0.08 0.00 -1.52 0.00 0.00 31.29 32.73 3nix h VAL 65 CO 0.05 0.46 0.04 0.11 0.02 0.00 0.00 177.57 178.24 3nix h LYS 66 N -0.22 0.15 0.00 1.57 1.57 -1.26 -2.71 116.57 115.67 3nix h LYS 66 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3nix h LYS 66 Cb 0.86 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3nix h LYS 66 CO 0.05 0.10 0.11 0.00 -0.57 0.00 0.00 179.45 179.14 3nix n ALA 67 N -2.61 0.83 0.08 3.86 0.00 -0.61 -0.17 120.51 121.89 3nix n ALA 67 Ca 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3nix n ALA 67 Cb 0.26 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3nix n ALA 67 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3nix h GLN 68 N 0.00 0.00 -4.03 0.00 1.08 -1.55 -3.49 115.11 107.13 3nix h GLN 68 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 3nix h GLN 68 Cb 0.22 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.74 3nix h GLN 68 CO 0.00 0.65 -0.43 0.41 -0.95 0.00 0.00 178.83 178.51 3nix n GLY 69 N 1.33 0.01 3.68 3.46 0.00 0.76 -5.03 105.19 109.41 3nix n GLY 69 Ca -0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3nix n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nix s PHE 70 N -3.20 2.08 0.04 1.61 0.08 -1.26 -4.79 117.98 112.54 3nix s PHE 70 Ca 0.18 1.32 -0.31 0.00 0.12 0.00 0.00 56.93 58.24 3nix s PHE 70 Cb -0.08 -3.17 -0.07 0.00 -0.57 0.00 0.00 43.02 39.12 3nix s PHE 70 CO 0.43 -2.67 1.55 -1.14 -0.10 0.00 0.00 175.22 173.29 3nix s GLN 71 N -4.82 4.23 0.28 0.44 2.00 -1.20 -4.85 119.66 115.75 3nix s GLN 71 Ca 0.65 2.18 -0.29 0.00 -2.00 0.00 0.00 55.36 55.90 3nix s GLN 71 Cb -0.20 -3.57 -0.10 0.00 0.80 0.00 0.00 33.01 29.94 3nix s GLN 71 CO 0.58 -0.66 1.13 -0.65 -0.50 0.00 0.00 175.29 175.19 3nix s GLN 72 N 2.49 4.60 -0.18 1.67 -0.21 -1.26 0.97 119.66 127.74 3nix s GLN 72 Ca 0.70 1.86 -0.00 0.00 0.02 0.00 0.00 55.36 57.93 3nix s GLN 72 Cb -0.36 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.48 3nix s GLN 72 CO 0.30 0.15 -0.15 0.21 -2.12 0.00 0.00 175.29 173.68 3nix s LYS 73 N -1.46 3.16 0.00 2.91 2.20 0.07 -4.37 119.74 122.24 3nix s LYS 73 Ca 0.45 -0.76 0.07 0.00 -0.36 0.00 0.00 55.97 55.37 3nix s LYS 73 Cb -0.33 -2.68 0.09 0.00 -1.51 0.00 0.00 37.83 33.40 3nix s LYS 73 CO 0.43 -0.11 0.83 1.19 -0.36 0.00 0.00 175.35 177.32 3nix n PHE 74 N 4.42 0.07 -0.51 4.03 3.72 0.82 -1.51 117.46 128.50 3nix n PHE 74 Ca -0.20 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 3nix n PHE 74 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3nix n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nix n GLY 75 N 0.31 -1.48 3.02 1.37 0.00 -1.19 -1.39 105.19 105.84 3nix n GLY 75 Ca 0.05 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 3nix n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nix s ALA 76 N -1.84 1.29 -0.13 4.61 0.00 -0.42 -2.16 121.76 123.12 3nix s ALA 76 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3nix s ALA 76 Cb 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3nix s ALA 76 CO 0.00 0.10 -0.07 0.21 0.00 0.00 0.00 175.76 175.99 3nix s LYS 77 N 0.70 3.39 -0.17 0.00 2.20 0.22 -0.47 119.74 125.60 3nix s LYS 77 Ca -0.14 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 3nix s LYS 77 Cb -0.16 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.38 3nix s LYS 77 CO 0.03 0.33 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.23 3nix s PHE 78 N 0.10 2.95 -0.08 4.03 0.08 0.09 -0.19 117.98 124.96 3nix s PHE 78 Ca -0.03 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.49 3nix s PHE 78 Cb -0.14 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3nix s PHE 78 CO 0.03 -0.23 -0.16 0.08 -0.10 0.00 0.00 175.22 174.85 3nix s VAL 79 N 0.71 2.89 -0.28 -0.44 1.01 0.14 -1.13 120.40 123.31 3nix s VAL 79 Ca -0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3nix s VAL 79 Cb -0.15 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.23 3nix s VAL 79 CO 0.02 0.56 0.35 -0.60 0.00 0.00 0.00 175.10 175.43 3nix s ARG 80 N -0.25 0.35 7.77 2.72 3.52 -0.56 0.02 118.95 132.52 3nix s ARG 80 Ca 0.01 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3nix s ARG 80 Cb -0.13 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.73 3nix s ARG 80 CO 0.03 -0.94 0.00 0.41 -0.81 0.00 0.00 175.30 173.99 3nix n GLY 81 N 5.34 3.20 0.01 8.12 0.00 -1.26 -1.07 105.19 119.52 3nix n GLY 81 Ca -0.02 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3nix n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nix n LYS 82 N 13.23 0.05 -2.18 1.61 4.76 -1.26 -4.90 118.16 129.48 3nix n LYS 82 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3nix n LYS 82 Cb 0.00 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.65 3nix n LYS 82 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3nix s GLU 83 N -3.04 4.40 -0.05 1.97 2.02 -0.24 -5.04 118.70 118.72 3nix s GLU 83 Ca 0.09 2.14 -0.02 0.00 0.02 0.00 0.00 54.97 57.20 3nix s GLU 83 Cb 0.16 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.35 3nix s GLU 83 CO 0.77 -0.12 0.11 0.42 0.02 0.00 0.00 175.26 176.45 3nix s ILE 84 N -1.15 -0.10 -0.29 -1.63 1.01 -1.26 -1.49 121.20 116.29 3nix s ILE 84 Ca 0.48 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.40 3nix s ILE 84 Cb -0.38 -0.20 0.07 0.00 0.01 0.00 0.00 42.46 41.96 3nix s ILE 84 CO 0.51 0.10 -0.03 0.00 0.00 0.00 0.00 174.94 175.52 3nix s ALA 85 N 1.45 2.73 -0.21 9.38 0.00 -0.28 -4.98 121.76 129.86 3nix s ALA 85 Ca -0.05 -1.95 -0.13 0.00 0.00 0.00 0.00 51.96 49.83 3nix s ALA 85 Cb -0.12 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 3nix s ALA 85 CO -0.05 -1.34 0.27 0.34 0.00 0.00 0.00 175.76 174.98 3nix s ASP 86 N 1.16 6.30 -0.32 0.00 2.15 -1.26 -0.73 116.67 123.97 3nix s ASP 86 Ca -0.03 0.35 -0.03 0.00 0.43 0.00 0.00 52.55 53.26 3nix s ASP 86 Cb -0.20 -2.17 0.05 0.00 -0.30 0.00 0.00 42.92 40.31 3nix s ASP 86 CO -0.04 0.03 0.05 -0.36 -0.17 0.00 0.00 175.17 174.67 3nix s PHE 87 N 0.98 3.29 -0.34 -5.34 0.40 0.38 -5.00 117.98 112.35 3nix s PHE 87 Ca 0.14 -1.79 -0.17 0.00 -0.60 0.00 0.00 56.93 54.51 3nix s PHE 87 Cb -0.14 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 3nix s PHE 87 CO 0.05 -0.80 0.45 1.21 0.70 0.00 0.00 175.22 176.83 3nix s ASN 88 N 1.35 6.26 0.16 1.36 3.84 -1.26 -1.30 114.94 125.35 3nix s ASN 88 Ca -0.03 -0.08 0.14 0.00 0.21 0.00 0.00 52.86 53.09 3nix s ASN 88 Cb -0.20 -2.24 0.67 0.00 -0.55 0.00 0.00 41.25 38.93 3nix s ASN 88 CO -0.00 -0.40 1.42 0.49 -2.79 0.00 0.00 177.10 175.81 3nix n PHE 89 N 5.57 0.39 0.57 0.43 3.72 -0.49 -0.85 117.46 126.81 3nix n PHE 89 Ca -0.07 0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.65 3nix n PHE 89 Cb 0.49 -0.80 0.43 0.00 -0.94 0.00 0.00 39.48 38.66 3nix n PHE 89 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3nix n SER 90 N -1.89 0.76 -3.94 4.37 7.64 -1.26 -4.20 113.62 115.10 3nix n SER 90 Ca 0.00 0.60 -0.30 0.00 1.01 0.00 0.00 58.87 60.19 3nix n SER 90 Cb 0.07 -0.79 -0.14 0.00 -1.01 0.00 0.00 64.21 62.34 3nix n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3nix s ASP 91 N -4.42 4.42 0.25 6.43 2.15 -0.03 -5.07 116.67 120.41 3nix s ASP 91 Ca 0.09 -3.20 0.02 0.00 0.43 0.00 0.00 52.55 49.89 3nix s ASP 91 Cb 0.12 -1.64 -0.04 0.00 -0.30 0.00 0.00 42.92 41.06 3nix s ASP 91 CO 0.54 -0.20 0.18 0.00 -0.17 0.00 0.00 175.17 175.52 3nix s GLN 92 N -0.54 1.42 -0.01 4.34 -2.07 -1.26 -4.53 119.66 117.01 3nix s GLN 92 Ca 0.19 -1.78 -0.12 0.00 -1.82 0.00 0.00 55.36 51.82 3nix s GLN 92 Cb -0.21 0.24 -0.33 0.00 -1.09 0.00 0.00 33.01 31.62 3nix s GLN 92 CO -0.04 -0.48 0.83 0.35 -1.32 0.00 0.00 175.29 174.64 3nix h PHE 93 N 2.42 0.81 -2.94 9.60 3.57 -1.50 -3.48 116.94 125.43 3nix h PHE 93 Ca -0.32 -0.59 -0.50 0.00 3.53 0.00 0.00 57.97 60.08 3nix h PHE 93 Cb 1.24 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 3nix h PHE 93 CO 0.85 1.61 -0.20 -1.12 -2.23 0.00 0.00 178.31 177.22 3nix s SER 94 N -7.40 6.35 0.43 0.41 0.01 -1.26 -5.06 113.70 107.18 3nix s SER 94 Ca -0.12 0.52 -0.25 0.00 1.31 0.00 0.00 55.95 57.41 3nix s SER 94 Cb 0.05 -2.06 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 3nix s SER 94 CO 0.89 -0.22 1.32 0.20 0.41 0.00 0.00 173.24 175.84 3nix s ASN 95 N -3.63 6.13 0.00 2.44 0.01 -1.26 -4.95 114.94 113.68 3nix s ASN 95 Ca 0.41 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 55.25 3nix s ASN 95 Cb -0.10 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3nix s ASN 95 CO 0.33 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.55 3nix n GLY 96 N 0.64 2.51 3.68 0.66 0.00 -1.26 -5.03 105.19 106.38 3nix n GLY 96 Ca 0.05 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 3nix n GLY 96 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3nix n TRP 97 N -1.16 1.08 -1.08 1.61 7.02 -1.26 -4.94 117.44 118.71 3nix n TRP 97 Ca 0.00 0.40 0.05 0.00 -1.02 0.00 0.00 57.50 56.93 3nix n TRP 97 Cb 0.00 -2.07 0.07 0.00 -2.42 0.00 0.00 31.31 26.89 3nix n TRP 97 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3nix n ASN 98 N -3.50 1.54 -3.50 -0.99 2.04 -1.26 -4.84 115.26 104.75 3nix n ASN 98 Ca 0.13 -2.45 -0.12 0.00 -0.44 0.00 0.00 54.58 51.70 3nix n ASN 98 Cb 0.51 -0.26 -0.03 0.00 -2.53 0.00 0.00 39.78 37.47 3nix n ASN 98 CO 0.00 0.00 0.00 -1.66 -0.44 0.00 0.00 177.26 175.16 3nix s TRP 99 N -1.61 -0.45 0.00 -2.53 1.48 -1.26 -4.30 118.94 110.26 3nix s TRP 99 Ca 0.16 0.28 0.00 0.00 -1.06 0.00 0.00 56.10 55.47 3nix s TRP 99 Cb 0.14 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.90 3nix s TRP 99 CO 0.01 -0.78 0.00 -2.37 -4.06 0.00 0.00 176.95 169.76 3nix n THR 100 N -0.18 0.00 -4.18 0.66 5.66 -0.57 -4.47 114.28 111.19 3nix n THR 100 Ca -0.17 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 3nix n THR 100 Cb 0.64 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.32 3nix n THR 100 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3nix s TRP 101 N -1.10 0.96 -0.28 1.09 0.51 -1.26 -0.75 118.94 118.10 3nix s TRP 101 Ca 0.00 -0.91 -0.09 0.00 -2.12 0.00 0.00 56.10 52.98 3nix s TRP 101 Cb 0.00 -0.54 -0.03 0.00 -0.81 0.00 0.00 33.47 32.09 3nix s TRP 101 CO 0.00 -0.13 0.14 -0.65 -0.51 0.00 0.00 176.95 175.80 3nix s GLN 102 N -3.83 3.69 -0.06 4.98 -1.52 0.27 -2.59 119.66 120.60 3nix s GLN 102 Ca 0.13 -0.47 0.03 0.00 -1.95 0.00 0.00 55.36 53.10 3nix s GLN 102 Cb 0.05 -3.52 0.01 0.00 -0.22 0.00 0.00 33.01 29.33 3nix s GLN 102 CO -0.03 -0.24 -0.14 0.14 -0.25 0.00 0.00 175.29 174.76 3nix s VAL 103 N 1.68 1.26 0.01 1.09 -7.23 -0.27 -3.24 120.40 113.70 3nix s VAL 103 Ca 0.06 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 3nix s VAL 103 Cb -0.16 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 3nix s VAL 103 CO 0.07 0.38 1.29 -2.84 -0.31 0.00 0.00 175.10 173.69 3nix s PRO 104 N 0.48 4.35 0.38 4.82 0.02 -1.26 -4.56 135.00 139.23 3nix s PRO 104 Ca -0.12 1.84 0.18 0.00 0.02 0.00 0.00 61.00 62.92 3nix s PRO 104 Cb -0.15 -3.47 0.73 0.00 0.02 0.00 0.00 34.50 31.63 3nix s PRO 104 CO 0.04 -0.44 1.77 0.00 -0.33 0.00 0.00 177.00 178.03 3nix h ARG 105 N 7.34 0.00 0.49 5.54 2.47 -1.87 0.60 114.38 128.95 3nix h ARG 105 Ca -0.38 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.32 3nix h ARG 105 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 3nix h ARG 105 CO 0.87 0.37 -0.40 0.78 0.56 0.00 0.00 179.97 182.15 3nix h GLY 106 N 1.81 -0.99 0.99 0.04 0.00 -1.83 0.49 103.07 103.57 3nix h GLY 106 Ca -0.00 0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 3nix h GLY 106 CO 0.05 -0.34 -0.01 3.43 0.00 0.00 0.00 176.54 179.66 3nix h ASN 107 N -0.88 0.80 -0.36 0.19 2.35 -1.82 -2.82 115.58 113.05 3nix h ASN 107 Ca -0.05 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3nix h ASN 107 Cb 0.75 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3nix h ASN 107 CO -0.01 0.92 0.14 0.15 -1.65 0.00 0.00 177.43 176.99 3nix h PHE 108 N 0.66 0.54 0.00 1.19 3.57 -0.67 -1.04 116.94 121.20 3nix h PHE 108 Ca 0.13 -0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.37 3nix h PHE 108 Cb 0.52 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3nix h PHE 108 CO 0.04 0.50 -0.91 -0.44 -2.23 0.00 0.00 178.31 175.26 3nix h ASP 109 N 0.43 0.41 -0.62 0.41 3.32 -0.07 -2.18 116.42 118.12 3nix h ASP 109 Ca 0.12 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 3nix h ASP 109 Cb 0.18 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3nix h ASP 109 CO -0.01 1.13 0.27 0.50 -1.72 0.00 0.00 179.24 179.41 3nix h LYS 110 N 0.18 0.94 -0.66 3.56 3.64 -1.49 0.38 116.57 123.12 3nix h LYS 110 Ca -0.06 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 3nix h LYS 110 Cb 1.55 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 3nix h LYS 110 CO 0.15 0.76 0.25 1.15 -2.27 0.00 0.00 179.45 179.49 3nix h THR 111 N 0.93 1.23 -0.11 1.00 2.02 -0.63 0.49 112.91 117.85 3nix h THR 111 Ca 0.22 -0.75 -0.22 0.00 0.77 0.00 0.00 66.41 66.43 3nix h THR 111 Cb 0.16 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3nix h THR 111 CO -0.02 0.30 -0.81 -0.07 0.37 0.00 0.00 175.52 175.28 3nix h LEU 112 N 0.96 0.83 -0.60 2.58 4.07 -1.16 -2.99 115.31 119.00 3nix h LEU 112 Ca 0.22 -0.57 -0.13 0.00 0.08 0.00 0.00 57.88 57.49 3nix h LEU 112 Cb 0.21 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3nix h LEU 112 CO -0.02 1.36 -0.25 0.00 -1.08 0.00 0.00 178.44 178.45 3nix h ALA 113 N 0.62 0.79 -0.11 1.53 0.00 -0.23 -0.36 119.26 121.50 3nix h ALA 113 Ca -0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3nix h ALA 113 Cb 1.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3nix h ALA 113 CO 0.16 0.65 -0.44 -0.44 0.00 0.00 0.00 179.25 179.18 3nix h ASP 114 N 0.73 0.27 0.37 0.00 3.32 -0.10 -1.37 116.42 119.64 3nix h ASP 114 Ca 0.09 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 3nix h ASP 114 Cb 0.79 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3nix h ASP 114 CO 0.07 0.68 -0.65 -0.08 -1.72 0.00 0.00 179.24 177.53 3nix h GLU 115 N 0.21 0.26 -0.50 3.56 4.57 -1.36 -1.35 114.58 119.96 3nix h GLU 115 Ca 0.02 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3nix h GLU 115 Cb 0.86 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 3nix h GLU 115 CO 0.07 0.81 0.23 0.00 -1.18 0.00 0.00 179.01 178.94 3nix h ALA 116 N 1.14 0.64 0.78 2.92 0.00 -0.70 0.13 119.26 124.17 3nix h ALA 116 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3nix h ALA 116 Cb 1.17 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3nix h ALA 116 CO 0.10 0.22 -0.38 0.00 0.00 0.00 0.00 179.25 179.20 3nix h ALA 117 N 1.07 -1.19 -1.14 0.00 0.00 -1.18 -0.88 119.26 115.94 3nix h ALA 117 Ca 0.17 -0.23 0.41 0.00 0.00 0.00 0.00 54.91 55.26 3nix h ALA 117 Cb 0.14 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.18 3nix h ALA 117 CO -0.02 -1.12 0.68 -0.09 0.00 0.00 0.00 179.25 178.70 3nix h ARG 118 N -1.13 0.09 0.00 0.00 2.43 -1.30 0.73 114.38 115.21 3nix h ARG 118 Ca -0.11 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3nix h ARG 118 Cb 0.81 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3nix h ARG 118 CO 0.18 0.06 -0.10 1.96 -1.51 0.00 0.00 179.97 180.56 3nix h GLN 119 N 0.09 0.00 0.00 0.20 4.20 -0.36 -3.47 115.11 115.77 3nix h GLN 119 Ca 0.82 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.53 3nix h GLN 119 Cb 2.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.07 3nix h GLN 119 CO -0.60 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.07 3nix n GLY 120 N -0.21 1.21 3.77 3.46 0.00 0.26 -5.02 105.19 108.64 3nix n GLY 120 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3nix n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nix s VAL 121 N -1.96 2.82 -0.33 1.61 1.01 -0.39 -4.91 120.40 118.24 3nix s VAL 121 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 3nix s VAL 121 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3nix s VAL 121 CO 0.00 0.19 0.22 1.51 0.00 0.00 0.00 175.10 177.02 3nix s ASP 122 N -0.57 5.99 -0.40 3.32 3.84 -1.21 -3.74 116.67 123.90 3nix s ASP 122 Ca 0.49 -0.37 -0.09 0.00 -0.00 0.00 0.00 52.55 52.58 3nix s ASP 122 Cb -0.38 -2.12 0.06 0.00 -1.38 0.00 0.00 42.92 39.10 3nix s ASP 122 CO 0.51 -0.20 0.22 -0.69 -0.00 0.00 0.00 175.17 175.01 3nix s VAL 123 N 1.71 4.29 -0.16 2.11 1.01 -1.26 -1.01 120.40 127.10 3nix s VAL 123 Ca 0.06 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 3nix s VAL 123 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3nix s VAL 123 CO 0.10 -0.38 0.40 -0.70 0.00 0.00 0.00 175.10 174.52 3nix s GLU 124 N 1.46 4.27 0.58 2.72 2.12 -0.38 -4.98 118.70 124.48 3nix s GLU 124 Ca 0.02 0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.72 3nix s GLU 124 Cb -0.21 -3.46 0.09 0.00 0.26 0.00 0.00 34.13 30.80 3nix s GLU 124 CO 0.04 0.12 0.78 0.71 -0.54 0.00 0.00 175.26 176.37 3nix s TYR 125 N 0.78 1.39 -0.90 5.30 2.02 -1.26 -0.58 117.35 124.10 3nix s TYR 125 Ca 0.21 -0.74 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 3nix s TYR 125 Cb -0.14 -2.19 0.06 0.00 -0.40 0.00 0.00 41.96 39.29 3nix s TYR 125 CO 0.08 -1.13 0.26 0.39 -1.57 0.00 0.00 175.55 173.57 3nix n GLU 126 N -2.23 -2.61 -4.10 -0.62 1.02 -0.60 -4.80 120.64 106.71 3nix n GLU 126 Ca 0.15 0.27 -0.29 0.00 -0.02 0.00 0.00 57.16 57.26 3nix n GLU 126 Cb 0.62 -4.86 -0.17 0.00 -0.02 0.00 0.00 31.44 27.01 3nix n GLU 126 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3nix s VAL 127 N -2.61 1.46 -0.20 2.62 1.01 0.74 -3.41 120.40 120.01 3nix s VAL 127 Ca 0.27 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3nix s VAL 127 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3nix s VAL 127 CO 0.33 0.44 -0.06 -0.83 0.00 0.00 0.00 175.10 174.99 3nix s GLY 128 N 1.40 1.61 0.18 4.51 0.00 -0.53 -2.37 107.32 112.12 3nix s GLY 128 Ca 0.02 -1.09 -0.32 0.00 0.00 0.00 0.00 44.72 43.33 3nix s GLY 128 CO -0.08 0.29 1.77 -0.62 0.00 0.00 0.00 173.10 174.46 3nix n VAL 129 N 4.49 0.13 0.00 1.40 0.31 -1.26 -0.20 118.33 123.20 3nix n VAL 129 Ca -0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3nix n VAL 129 Cb 0.51 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 3nix n VAL 129 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3nix n THR 130 N 4.25 0.00 -3.62 2.52 5.66 0.53 -4.93 114.28 118.69 3nix n THR 130 Ca 0.17 -0.36 -0.09 0.00 -3.05 0.00 0.00 64.05 60.72 3nix n THR 130 Cb 0.36 0.92 -0.06 0.00 -1.55 0.00 0.00 70.33 69.99 3nix n THR 130 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3nix s ASP 131 N -0.96 -0.37 -0.04 1.09 2.15 -1.20 -4.99 116.67 112.35 3nix s ASP 131 Ca 0.00 0.61 0.01 0.00 0.43 0.00 0.00 52.55 53.60 3nix s ASP 131 Cb 0.00 0.58 0.02 0.00 -0.30 0.00 0.00 42.92 43.23 3nix s ASP 131 CO 0.00 -0.20 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.13 3nix s ILE 132 N -0.28 0.52 -0.19 4.11 1.01 -1.26 -1.00 121.20 124.10 3nix s ILE 132 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3nix s ILE 132 Cb -0.03 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.92 3nix s ILE 132 CO -0.05 0.22 -0.17 -0.54 0.00 0.00 0.00 174.94 174.41 3nix s LYS 133 N 0.91 2.67 0.19 2.79 3.01 -0.77 -5.02 119.74 123.52 3nix s LYS 133 Ca -0.11 -0.91 -0.16 0.00 -1.01 0.00 0.00 55.97 53.78 3nix s LYS 133 Cb -0.14 -2.57 -0.08 0.00 -1.01 0.00 0.00 37.83 34.03 3nix s LYS 133 CO 0.00 -0.31 0.63 -0.06 0.51 0.00 0.00 175.35 176.13 3nix s PHE 134 N 1.28 3.60 -0.27 3.18 0.08 -1.26 -1.60 117.98 123.00 3nix s PHE 134 Ca 0.02 1.20 -0.02 0.00 0.12 0.00 0.00 56.93 58.24 3nix s PHE 134 Cb -0.15 -2.48 0.09 0.00 -0.57 0.00 0.00 43.02 39.91 3nix s PHE 134 CO -0.11 0.36 0.09 0.12 -0.10 0.00 0.00 175.22 175.59 3nix s PHE 135 N -1.53 1.05 0.00 0.36 5.36 0.18 -4.98 117.98 118.41 3nix s PHE 135 Ca 0.41 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.20 3nix s PHE 135 Cb -0.15 -1.24 0.00 0.00 -0.34 0.00 0.00 43.02 41.28 3nix s PHE 135 CO 0.20 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.59 3nix n GLY 136 N 5.04 3.30 0.08 13.12 0.00 -1.26 -1.93 105.19 123.54 3nix n GLY 136 Ca -0.05 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3nix n GLY 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3nix h THR 137 N 0.00 0.00 -4.17 2.61 1.35 -1.92 -3.41 112.91 107.37 3nix h THR 137 Ca 0.00 -0.55 -0.47 0.00 -0.55 0.00 0.00 66.41 64.84 3nix h THR 137 Cb 0.00 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3nix h THR 137 CO 0.00 0.00 0.37 -1.81 -0.25 0.00 0.00 175.52 173.83 3nix s ASP 138 N -4.42 6.62 0.02 5.36 1.01 -0.81 -3.71 116.67 120.74 3nix s ASP 138 Ca 0.06 1.61 -0.05 0.00 0.71 0.00 0.00 52.55 54.88 3nix s ASP 138 Cb 0.13 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 3nix s ASP 138 CO 0.71 -0.59 0.09 -0.94 0.21 0.00 0.00 175.17 174.65 3nix s SER 139 N -2.88 0.14 -0.20 0.27 1.04 -0.24 0.48 113.70 112.31 3nix s SER 139 Ca 0.60 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.63 3nix s SER 139 Cb -0.10 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3nix s SER 139 CO 0.28 -0.42 -0.16 -0.69 0.98 0.00 0.00 173.24 173.23 3nix s VAL 140 N -1.94 2.25 -0.13 5.02 1.01 -0.63 0.50 120.40 126.49 3nix s VAL 140 Ca -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 3nix s VAL 140 Cb -0.05 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3nix s VAL 140 CO -0.02 0.42 0.02 -0.89 0.00 0.00 0.00 175.10 174.63 3nix s THR 141 N 1.28 4.42 -0.18 3.92 2.01 0.18 -1.85 115.64 125.41 3nix s THR 141 Ca 0.03 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 3nix s THR 141 Cb -0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 3nix s THR 141 CO -0.10 0.55 0.09 -0.89 -0.69 0.00 0.00 174.62 173.58 3nix s THR 142 N -0.34 5.06 0.27 -0.82 2.01 -0.17 0.47 115.64 122.12 3nix s THR 142 Ca 0.07 0.06 0.12 0.00 0.31 0.00 0.00 61.69 62.25 3nix s THR 142 Cb -0.12 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 3nix s THR 142 CO 0.02 0.46 -0.19 0.27 -0.69 0.00 0.00 174.62 174.49 3nix s ILE 143 N 0.27 2.52 -0.11 1.82 -4.36 -0.05 -0.35 121.20 120.95 3nix s ILE 143 Ca 0.06 -2.34 -0.00 0.00 -0.26 0.00 0.00 60.65 58.10 3nix s ILE 143 Cb -0.12 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.30 3nix s ILE 143 CO -0.01 -0.37 -0.09 -0.70 0.24 0.00 0.00 174.94 174.02 3nix s GLU 144 N -3.43 1.63 0.62 0.37 2.12 0.72 -1.59 118.70 119.13 3nix s GLU 144 Ca 0.29 -0.30 -0.10 0.00 0.36 0.00 0.00 54.97 55.22 3nix s GLU 144 Cb -0.05 -1.63 0.14 0.00 0.26 0.00 0.00 34.13 32.85 3nix s GLU 144 CO 0.15 -0.24 0.84 -0.40 -0.54 0.00 0.00 175.26 175.07 3nix n ASP 145 N 4.82 0.13 0.32 -1.70 5.68 -0.61 -1.45 116.55 123.74 3nix n ASP 145 Ca -0.14 -1.34 0.20 0.00 -0.50 0.00 0.00 54.79 53.01 3nix n ASP 145 Cb 0.50 -0.63 1.12 0.00 -1.14 0.00 0.00 41.12 40.96 3nix n ASP 145 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3nix h ILE 146 N -1.42 0.16 -0.25 2.12 2.04 -1.90 -2.86 117.51 115.40 3nix h ILE 146 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3nix h ILE 146 Cb 0.76 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3nix h ILE 146 CO 0.20 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.94 3nix n ASN 147 N -3.30 3.76 0.00 1.72 3.02 -1.26 -4.95 115.26 114.24 3nix n ASN 147 Ca -0.03 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 3nix n ASN 147 Cb 0.09 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3nix n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nix n GLY 148 N -0.52 1.19 3.67 7.41 0.00 -1.08 -5.02 105.19 110.85 3nix n GLY 148 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3nix n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nix s ASN 149 N -3.06 7.03 -0.02 1.61 -0.87 -1.26 -4.83 114.94 113.54 3nix s ASN 149 Ca 0.00 1.63 -0.11 0.00 -1.57 0.00 0.00 52.86 52.81 3nix s ASN 149 Cb 0.00 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.63 3nix s ASN 149 CO 0.00 -0.67 0.32 -0.54 -2.57 0.00 0.00 177.10 173.64 3nix s LYS 150 N 3.00 3.72 0.05 -0.60 1.02 -1.26 -1.57 119.74 124.11 3nix s LYS 150 Ca 0.52 0.16 -0.04 0.00 0.02 0.00 0.00 55.97 56.63 3nix s LYS 150 Cb -0.20 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 3nix s LYS 150 CO 0.15 0.69 0.05 -0.98 -0.92 0.00 0.00 175.35 174.33 3nix s ARG 151 N -1.30 0.61 0.22 1.68 1.70 -0.62 -4.97 118.95 116.27 3nix s ARG 151 Ca 0.24 -0.97 -0.04 0.00 -0.47 0.00 0.00 55.73 54.49 3nix s ARG 151 Cb -0.15 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 3nix s ARG 151 CO 0.12 -0.14 0.45 -1.21 -1.08 0.00 0.00 175.30 173.44 3nix s GLU 152 N -3.26 3.61 -0.07 3.89 2.02 -1.26 -0.87 118.70 122.76 3nix s GLU 152 Ca 0.01 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.89 3nix s GLU 152 Cb 0.03 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.52 3nix s GLU 152 CO -0.08 0.35 -0.05 0.42 0.02 0.00 0.00 175.26 175.93 3nix s ILE 153 N -1.88 0.67 -0.14 -1.63 1.01 0.18 -4.71 121.20 114.70 3nix s ILE 153 Ca 0.42 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 3nix s ILE 153 Cb -0.11 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3nix s ILE 153 CO 0.27 0.28 0.09 -0.70 0.00 0.00 0.00 174.94 174.88 3nix s GLU 154 N 1.35 3.55 0.05 2.79 2.12 -1.26 0.47 118.70 127.78 3nix s GLU 154 Ca -0.04 -0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 3nix s GLU 154 Cb -0.14 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 3nix s GLU 154 CO -0.03 0.59 0.04 0.00 -0.54 0.00 0.00 175.26 175.33 3nix s ALA 155 N -0.51 0.20 -0.49 6.30 0.00 0.18 0.15 121.76 127.59 3nix s ALA 155 Ca 0.11 -0.90 0.24 0.00 0.00 0.00 0.00 51.96 51.41 3nix s ALA 155 Cb -0.12 0.30 0.37 0.00 0.00 0.00 0.00 23.12 23.67 3nix s ALA 155 CO 0.02 -0.37 1.48 0.00 0.00 0.00 0.00 175.76 176.88 3nix h ARG 156 N 3.28 0.00 -1.54 0.00 3.08 -1.00 -0.61 114.38 117.59 3nix h ARG 156 Ca -0.34 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.79 3nix h ARG 156 Cb 1.17 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.96 3nix h ARG 156 CO 0.59 0.00 0.52 0.12 -1.07 0.00 0.00 179.97 180.13 3nix s PHE 157 N -3.21 -0.40 -0.11 3.04 5.36 -0.80 -4.43 117.98 117.42 3nix s PHE 157 Ca 0.06 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 56.96 3nix s PHE 157 Cb 0.09 0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 43.16 3nix s PHE 157 CO 0.69 -0.24 -0.19 0.42 -1.46 0.00 0.00 175.22 174.43 3nix s ILE 158 N -0.20 2.47 -0.37 3.12 1.01 0.11 -0.61 121.20 126.73 3nix s ILE 158 Ca 0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3nix s ILE 158 Cb -0.04 -1.99 0.06 0.00 0.01 0.00 0.00 42.46 40.50 3nix s ILE 158 CO -0.05 0.54 0.16 -0.63 0.00 0.00 0.00 174.94 174.96 3nix s ILE 159 N 0.38 3.86 -0.61 2.92 1.01 -0.46 -1.95 121.20 126.35 3nix s ILE 159 Ca -0.15 -1.30 -0.27 0.00 0.00 0.00 0.00 60.65 58.93 3nix s ILE 159 Cb -0.17 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.06 3nix s ILE 159 CO 0.07 -0.32 1.16 -0.62 0.00 0.00 0.00 174.94 175.24 3nix s ASP 160 N 1.65 6.36 -0.31 3.58 -1.08 -0.85 -1.53 116.67 124.49 3nix s ASP 160 Ca 0.01 -0.11 0.07 0.00 -0.52 0.00 0.00 52.55 51.99 3nix s ASP 160 Cb -0.21 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.18 3nix s ASP 160 CO 0.02 -1.52 1.32 0.00 0.52 0.00 0.00 175.17 175.51 3nix n ALA 161 N 8.46 4.83 1.99 3.66 0.00 0.10 -1.86 120.51 137.68 3nix n ALA 161 Ca 0.06 -3.59 0.05 0.00 0.00 0.00 0.00 53.44 49.95 3nix n ALA 161 Cb 0.49 -0.52 0.28 0.00 0.00 0.00 0.00 19.45 19.70 3nix n ALA 161 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3nix n SER 162 N -0.86 0.00 0.00 0.00 3.41 -0.04 -4.32 113.62 111.81 3nix n SER 162 Ca 0.40 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 3nix n SER 162 Cb 0.90 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 3nix n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nix n GLY 163 N 0.64 1.78 0.29 5.00 0.00 -1.26 0.34 105.19 111.98 3nix n GLY 163 Ca 0.07 0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.45 3nix n GLY 163 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3nix h TYR 164 N 0.00 0.00 0.00 1.61 0.05 -1.93 0.13 116.97 116.83 3nix h TYR 164 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 3nix h TYR 164 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3nix h TYR 164 CO 0.00 0.00 -0.51 0.78 -1.05 0.00 0.00 178.16 177.38 3nix h GLY 165 N 0.00 0.00 -6.58 3.88 0.00 -0.46 -3.47 103.07 96.44 3nix h GLY 165 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3nix h GLY 165 CO 0.00 0.00 -0.88 0.54 0.00 0.00 0.00 176.54 176.20 3nix n ARG 166 N -3.82 -3.19 0.16 4.80 5.12 0.46 -4.86 116.66 115.33 3nix n ARG 166 Ca -0.01 0.38 -0.15 0.00 -1.93 0.00 0.00 57.85 56.14 3nix n ARG 166 Cb 0.54 -4.62 -0.09 0.00 -1.16 0.00 0.00 32.46 27.13 3nix n ARG 166 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3nix h VAL 167 N -1.77 0.00 -0.25 1.55 2.07 -1.85 0.08 116.25 116.09 3nix h VAL 167 Ca -0.62 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 3nix h VAL 167 Cb 1.38 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3nix h VAL 167 CO 0.66 0.00 -0.28 0.40 0.02 0.00 0.00 177.57 178.37 3nix h ILE 168 N -0.76 1.31 -0.95 4.57 2.04 -1.95 -3.14 117.51 118.64 3nix h ILE 168 Ca -0.02 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.40 3nix h ILE 168 Cb 0.72 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 3nix h ILE 168 CO -0.19 0.46 0.62 -0.65 0.00 0.00 0.00 178.15 178.39 3nix h PRO 169 N 0.34 1.18 -0.60 2.37 0.11 -1.85 -1.52 132.00 132.03 3nix h PRO 169 Ca 0.03 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3nix h PRO 169 Cb 0.85 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3nix h PRO 169 CO 0.07 0.78 0.00 0.54 -0.21 0.00 0.00 178.00 179.18 3nix n ARG 170 N -4.43 0.50 0.00 1.05 1.74 0.01 0.81 116.66 116.34 3nix n ARG 170 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3nix n ARG 170 Cb 0.08 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3nix n ARG 170 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3nix n PHE 172 N 0.30 0.00 -3.66 -1.55 3.01 -0.57 -4.83 117.46 110.16 3nix n PHE 172 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 3nix n PHE 172 Cb 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.67 3nix n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nix n GLY 173 N 0.00 -0.47 0.68 1.37 0.00 -0.41 -4.92 105.19 101.44 3nix n GLY 173 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3nix n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nix n LEU 174 N -4.67 2.01 -4.70 0.99 4.77 0.24 -4.93 117.00 110.70 3nix n LEU 174 Ca -0.08 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 3nix n LEU 174 Cb 0.59 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3nix n LEU 174 CO 0.67 0.45 1.12 -1.81 -1.33 0.00 0.00 177.39 176.49 3nix s ASP 175 N -1.38 6.79 -0.01 -1.43 1.01 -1.24 -0.23 116.67 120.18 3nix s ASP 175 Ca 0.31 2.30 0.07 0.00 0.71 0.00 0.00 52.55 55.94 3nix s ASP 175 Cb 0.17 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 3nix s ASP 175 CO 0.24 -0.71 -0.21 -1.59 0.21 0.00 0.00 175.17 173.11 3nix s LYS 176 N 1.69 1.71 0.55 8.23 -2.85 0.17 -4.78 119.74 124.45 3nix s LYS 176 Ca 0.66 -0.78 -0.20 0.00 -1.00 0.00 0.00 55.97 54.65 3nix s LYS 176 Cb -0.36 -1.67 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 3nix s LYS 176 CO 0.29 0.46 1.17 -2.14 0.10 0.00 0.00 175.35 175.23 3nix s PRO 177 N -0.55 3.28 0.64 1.78 0.02 -1.26 -0.23 135.00 138.67 3nix s PRO 177 Ca 0.08 1.73 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 3nix s PRO 177 Cb -0.08 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3nix s PRO 177 CO -0.01 -0.94 1.04 0.45 -0.33 0.00 0.00 177.00 177.21 3nix s SER 178 N -1.62 6.01 0.01 2.53 0.15 -1.26 -4.60 113.70 114.91 3nix s SER 178 Ca 0.73 1.48 0.26 0.00 0.70 0.00 0.00 55.95 59.13 3nix s SER 178 Cb -0.27 -2.48 0.77 0.00 -1.71 0.00 0.00 66.02 62.33 3nix s SER 178 CO 0.31 -1.02 1.60 0.61 1.20 0.00 0.00 173.24 175.95 3nix n GLY 179 N -2.48 -1.36 3.71 9.45 0.00 -1.26 -4.84 105.19 108.42 3nix n GLY 179 Ca 0.06 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3nix n GLY 179 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nix s PHE 180 N -3.01 3.29 0.73 1.61 0.08 -1.26 -5.00 117.98 114.42 3nix s PHE 180 Ca 0.12 1.13 -0.15 0.00 0.12 0.00 0.00 56.93 58.14 3nix s PHE 180 Cb 0.18 -3.53 0.04 0.00 -0.57 0.00 0.00 43.02 39.13 3nix s PHE 180 CO 0.64 -1.78 1.21 -1.83 -0.10 0.00 0.00 175.22 173.36 3nix s GLU 181 N 1.30 2.14 0.43 0.44 -1.05 -1.26 -4.90 118.70 115.80 3nix s GLU 181 Ca 0.61 1.77 -0.26 0.00 -0.15 0.00 0.00 54.97 56.94 3nix s GLU 181 Cb -0.32 -1.83 -0.09 0.00 -0.44 0.00 0.00 34.13 31.45 3nix s GLU 181 CO 0.29 -1.84 1.42 0.45 0.95 0.00 0.00 175.26 176.53 3nix n SER 182 N -2.70 3.29 -4.28 0.83 2.88 -1.26 -5.01 113.62 107.37 3nix n SER 182 Ca 0.14 1.15 -0.16 0.00 -1.33 0.00 0.00 58.87 58.66 3nix n SER 182 Cb 0.50 -1.59 -0.10 0.00 -0.75 0.00 0.00 64.21 62.27 3nix n SER 182 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3nix s ARG 183 N -2.31 1.14 0.12 -1.46 0.52 -1.26 -4.63 118.95 111.07 3nix s ARG 183 Ca 0.59 -1.47 0.10 0.00 -0.52 0.00 0.00 55.73 54.43 3nix s ARG 183 Cb -0.47 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 3nix s ARG 183 CO 0.59 0.12 -0.26 0.50 0.02 0.00 0.00 175.30 176.28 3nix s ARG 184 N -3.59 1.34 0.01 3.54 3.52 -0.93 -0.80 118.95 122.03 3nix s ARG 184 Ca 0.18 -1.30 0.03 0.00 -0.13 0.00 0.00 55.73 54.51 3nix s ARG 184 Cb 0.01 -1.78 -0.01 0.00 -1.56 0.00 0.00 34.95 31.60 3nix s ARG 184 CO 0.03 0.42 -0.11 -0.08 -0.81 0.00 0.00 175.30 174.75 3nix s THR 185 N -1.08 0.84 -0.07 4.11 -1.32 0.15 -2.46 115.64 115.82 3nix s THR 185 Ca 0.12 -0.59 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 3nix s THR 185 Cb -0.10 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 3nix s THR 185 CO 0.05 0.14 -0.13 -0.22 -2.21 0.00 0.00 174.62 172.25 3nix s LEU 186 N -0.50 1.68 0.23 9.08 0.20 -0.80 -1.94 118.68 126.62 3nix s LEU 186 Ca 0.02 -0.32 -0.14 0.00 0.69 0.00 0.00 54.13 54.39 3nix s LEU 186 Cb -0.05 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.85 3nix s LEU 186 CO -0.00 0.04 0.49 0.72 -0.29 0.00 0.00 176.35 177.31 3nix s PHE 187 N 0.63 0.21 0.20 5.38 -0.12 -0.83 -1.33 117.98 122.13 3nix s PHE 187 Ca -0.15 -0.58 -0.23 0.00 -0.05 0.00 0.00 56.93 55.93 3nix s PHE 187 Cb -0.16 0.25 0.07 0.00 -0.63 0.00 0.00 43.02 42.55 3nix s PHE 187 CO 0.04 -0.96 0.96 -0.08 -0.05 0.00 0.00 175.22 175.13 3nix s THR 188 N -3.97 0.00 -0.16 -4.49 -1.32 -0.85 -0.41 115.64 104.44 3nix s THR 188 Ca 0.18 -0.69 -0.06 0.00 -1.21 0.00 0.00 61.69 59.91 3nix s THR 188 Cb -0.01 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 3nix s THR 188 CO 0.05 0.00 0.05 -1.00 -2.21 0.00 0.00 174.62 171.51 3nix s HIS 189 N -2.74 3.26 -0.12 9.09 3.76 -1.26 -1.31 115.29 125.96 3nix s HIS 189 Ca 0.16 0.11 0.02 0.00 -0.15 0.00 0.00 55.06 55.21 3nix s HIS 189 Cb -0.02 -2.01 -0.00 0.00 1.11 0.00 0.00 32.58 31.65 3nix s HIS 189 CO 0.05 0.25 -0.20 0.42 -0.85 0.00 0.00 174.74 174.41 3nix s ILE 190 N 0.02 2.34 -0.52 0.60 1.01 0.20 -0.79 121.20 124.07 3nix s ILE 190 Ca 0.05 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 3nix s ILE 190 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3nix s ILE 190 CO 0.01 0.54 2.03 -0.75 0.00 0.00 0.00 174.94 176.77 3nix s LYS 191 N 0.52 2.60 -1.53 2.79 2.20 -0.76 -0.71 119.74 124.86 3nix s LYS 191 Ca -0.13 1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.40 3nix s LYS 191 Cb -0.17 -4.42 -0.02 0.00 -1.51 0.00 0.00 37.83 31.72 3nix s LYS 191 CO 0.05 -2.73 2.62 -3.47 -0.36 0.00 0.00 175.35 171.45 3nix n ASP 192 N 13.25 6.87 -0.34 1.43 -0.08 -0.70 -4.52 116.55 132.47 3nix n ASP 192 Ca 0.26 -2.73 0.04 0.00 -1.51 0.00 0.00 54.79 50.85 3nix n ASP 192 Cb 0.52 -1.57 0.20 0.00 2.34 0.00 0.00 41.12 42.60 3nix n ASP 192 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3nix h VAL 193 N 3.35 0.95 -0.88 5.18 2.07 -1.88 -2.13 116.25 122.91 3nix h VAL 193 Ca 0.74 -0.33 -0.46 0.00 0.82 0.00 0.00 66.70 67.47 3nix h VAL 193 Cb 0.42 -0.08 -0.27 0.00 -1.52 0.00 0.00 31.29 29.84 3nix h VAL 193 CO 1.79 0.17 0.59 0.29 0.02 0.00 0.00 177.57 180.43 3nix n LYS 194 N -4.64 2.12 -1.85 1.57 4.01 -1.26 -4.98 118.16 113.12 3nix n LYS 194 Ca 0.16 -2.66 -0.42 0.00 -0.51 0.00 0.00 58.31 54.88 3nix n LYS 194 Cb 0.29 -2.04 -0.03 0.00 -0.51 0.00 0.00 35.03 32.74 3nix n LYS 194 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3nix s ARG 195 N -2.92 4.18 0.68 1.97 3.52 -0.80 -4.93 118.95 120.64 3nix s ARG 195 Ca 0.50 2.45 -0.17 0.00 -0.13 0.00 0.00 55.73 58.39 3nix s ARG 195 Cb 0.42 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 3nix s ARG 195 CO 0.09 -0.67 0.73 -2.30 -0.81 0.00 0.00 175.30 172.33 3nix n PRO 196 N 4.14 0.49 0.00 5.12 -0.02 -1.26 -5.16 135.00 138.31 3nix n PRO 196 Ca 0.15 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3nix n PRO 196 Cb 0.37 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3nix n PRO 196 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3nix n VAL 197 N -2.21 0.00 0.00 -1.45 0.31 -1.26 -5.14 118.33 108.58 3nix n VAL 197 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3nix n VAL 197 Cb 0.49 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3nix n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nix n GLY 203 N 0.79 0.90 0.19 2.92 0.00 -1.26 -5.26 105.19 103.47 3nix n GLY 203 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3nix n GLY 203 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3nix n ASN 204 N 0.00 2.11 -4.23 1.61 6.94 -1.26 -4.75 115.26 115.67 3nix n ASN 204 Ca 0.00 -3.14 -0.16 0.00 -0.02 0.00 0.00 54.58 51.26 3nix n ASN 204 Cb 0.00 -0.43 -0.11 0.00 -2.36 0.00 0.00 39.78 36.88 3nix n ASN 204 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3nix s ARG 205 N -2.74 0.99 -0.05 -3.83 1.81 -1.26 -0.13 118.95 113.74 3nix s ARG 205 Ca 0.31 -1.27 -0.17 0.00 -1.72 0.00 0.00 55.73 52.87 3nix s ARG 205 Cb 0.28 -0.74 -0.05 0.00 -0.45 0.00 0.00 34.95 33.99 3nix s ARG 205 CO 0.01 0.12 0.47 -1.50 -0.68 0.00 0.00 175.30 173.73 3nix s ILE 206 N -2.52 5.07 -0.19 1.52 2.07 -0.92 -4.65 121.20 121.59 3nix s ILE 206 Ca 0.10 0.97 -0.08 0.00 -1.41 0.00 0.00 60.65 60.24 3nix s ILE 206 Cb -0.03 -3.80 -0.04 0.00 0.13 0.00 0.00 42.46 38.72 3nix s ILE 206 CO 0.02 0.44 0.07 -0.89 -1.91 0.00 0.00 174.94 172.66 3nix s THR 207 N -0.15 4.80 -0.22 4.00 2.01 -0.85 -0.61 115.64 124.62 3nix s THR 207 Ca 0.26 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 3nix s THR 207 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 3nix s THR 207 CO 0.13 0.46 -0.01 0.00 -0.69 0.00 0.00 174.62 174.51 3nix s ALA 208 N 0.41 2.95 -0.24 7.40 0.00 0.74 -1.41 121.76 131.60 3nix s ALA 208 Ca 0.03 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 3nix s ALA 208 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3nix s ALA 208 CO 0.00 -0.37 0.08 0.08 0.00 0.00 0.00 175.76 175.56 3nix s VAL 209 N 1.38 4.54 -0.34 0.00 1.01 0.32 -0.68 120.40 126.63 3nix s VAL 209 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 3nix s VAL 209 Cb -0.15 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3nix s VAL 209 CO -0.00 0.35 1.61 -0.69 0.00 0.00 0.00 175.10 176.37 3nix s VAL 210 N 1.39 3.69 -0.23 2.92 1.01 0.10 -1.39 120.40 127.89 3nix s VAL 210 Ca 0.06 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 3nix s VAL 210 Cb -0.15 -3.89 -0.17 0.00 0.00 0.00 0.00 36.38 32.18 3nix s VAL 210 CO 0.04 -0.53 -0.06 1.57 0.00 0.00 0.00 175.10 176.12 3nix n HIS 211 N 9.38 0.49 -4.21 5.22 -0.00 0.19 -4.63 115.22 121.65 3nix n HIS 211 Ca 0.20 0.18 -0.13 0.00 -0.00 0.00 0.00 57.72 57.96 3nix n HIS 211 Cb 0.47 -1.05 -0.10 0.00 -0.00 0.00 0.00 29.99 29.31 3nix n HIS 211 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3nix s LYS 212 N -2.47 1.32 0.38 1.57 -0.14 -0.02 -4.97 119.74 115.41 3nix s LYS 212 Ca -0.33 -1.70 0.19 0.00 -1.36 0.00 0.00 55.97 52.76 3nix s LYS 212 Cb 0.10 0.28 1.13 0.00 -1.68 0.00 0.00 37.83 37.66 3nix s LYS 212 CO 0.58 -0.45 1.71 -1.35 -0.76 0.00 0.00 175.35 175.08 3nix h PRO 213 N 2.52 0.34 0.00 -1.68 0.10 -2.00 -2.44 132.00 128.84 3nix h PRO 213 Ca -0.34 -0.02 -0.01 0.00 0.10 0.00 0.00 66.00 65.73 3nix h PRO 213 Cb 1.25 -0.08 -0.03 0.00 0.10 0.00 0.00 31.00 32.24 3nix h PRO 213 CO 0.49 0.22 -0.28 1.63 0.10 0.00 0.00 178.00 180.17 3nix n LYS 214 N -4.76 0.99 -3.92 1.05 5.02 -1.26 -4.86 118.16 110.41 3nix n LYS 214 Ca 0.29 -2.37 -0.19 0.00 -2.02 0.00 0.00 58.31 54.02 3nix n LYS 214 Cb 0.99 -1.21 -0.17 0.00 -0.02 0.00 0.00 35.03 34.62 3nix n LYS 214 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nix s VAL 215 N -2.15 0.28 0.34 -0.18 1.01 -0.92 -2.04 120.40 116.74 3nix s VAL 215 Ca 0.27 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.37 3nix s VAL 215 Cb 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 3nix s VAL 215 CO -0.01 0.19 0.15 -1.66 0.00 0.00 0.00 175.10 173.78 3nix s TRP 216 N 1.34 1.70 -0.05 5.22 1.48 0.10 -0.64 118.94 128.09 3nix s TRP 216 Ca -0.05 -1.34 -0.02 0.00 -1.06 0.00 0.00 56.10 53.62 3nix s TRP 216 Cb -0.13 -0.97 0.03 0.00 -1.16 0.00 0.00 33.47 31.24 3nix s TRP 216 CO -0.02 -0.45 0.12 0.42 -4.06 0.00 0.00 176.95 172.96 3nix s ILE 217 N -3.44 -0.05 0.07 0.66 1.01 -0.49 0.02 121.20 118.98 3nix s ILE 217 Ca 0.32 0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.17 3nix s ILE 217 Cb 0.04 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 3nix s ILE 217 CO 0.17 0.07 0.14 -1.66 0.00 0.00 0.00 174.94 173.67 3nix s TRP 218 N 1.08 3.34 -0.27 3.97 -2.14 0.20 -0.52 118.94 124.60 3nix s TRP 218 Ca -0.09 0.15 -0.03 0.00 2.66 0.00 0.00 56.10 58.80 3nix s TRP 218 Cb -0.11 -1.68 0.09 0.00 -3.10 0.00 0.00 33.47 28.67 3nix s TRP 218 CO -0.05 0.55 0.11 0.08 -2.66 0.00 0.00 176.95 174.98 3nix s VAL 219 N -1.46 0.20 -0.31 -0.66 1.01 -0.50 -2.11 120.40 116.57 3nix s VAL 219 Ca 0.32 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3nix s VAL 219 Cb -0.12 -1.10 0.06 0.00 0.00 0.00 0.00 36.38 35.22 3nix s VAL 219 CO 0.25 -0.62 0.02 -0.63 0.00 0.00 0.00 175.10 174.12 3nix s ILE 220 N 1.97 2.96 -0.32 2.22 1.01 -0.12 -2.00 121.20 126.92 3nix s ILE 220 Ca 0.07 -1.53 -0.24 0.00 0.00 0.00 0.00 60.65 58.95 3nix s ILE 220 Cb -0.16 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3nix s ILE 220 CO -0.28 -0.20 0.84 -2.16 0.00 0.00 0.00 174.94 173.13 3nix s PRO 221 N 1.21 3.95 0.43 2.79 0.04 -1.26 -0.07 135.00 142.10 3nix s PRO 221 Ca -0.03 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.59 3nix s PRO 221 Cb -0.20 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 3nix s PRO 221 CO -0.02 -0.75 0.72 -0.06 0.04 0.00 0.00 177.00 176.94 3nix s PHE 222 N 3.10 3.54 -1.11 0.56 0.08 0.19 -4.72 117.98 119.62 3nix s PHE 222 Ca 0.34 0.74 0.28 0.00 0.12 0.00 0.00 56.93 58.41 3nix s PHE 222 Cb -0.14 -2.22 1.24 0.00 -0.57 0.00 0.00 43.02 41.33 3nix s PHE 222 CO 0.14 -0.15 1.90 -1.13 -0.10 0.00 0.00 175.22 175.88 3nix n SER 223 N -1.98 0.00 0.00 1.36 3.41 -1.26 -2.85 113.62 112.30 3nix n SER 223 Ca -0.00 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.05 3nix n SER 223 Cb 0.55 -0.45 0.60 0.00 -0.26 0.00 0.00 64.21 64.66 3nix n SER 223 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3nix n ASN 224 N -1.45 0.00 0.00 4.04 6.94 -1.26 -4.85 115.26 118.68 3nix n ASN 224 Ca 0.08 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 3nix n ASN 224 Cb 0.30 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 3nix n ASN 224 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3nix n GLY 225 N 0.54 0.71 3.80 4.83 0.00 -1.13 -5.05 105.19 108.88 3nix n GLY 225 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3nix n GLY 225 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nix s ASN 226 N -2.98 4.70 -0.03 1.61 -0.87 -1.26 -1.72 114.94 114.40 3nix s ASN 226 Ca 0.00 -0.92 -0.01 0.00 -1.57 0.00 0.00 52.86 50.36 3nix s ASN 226 Cb 0.00 -0.53 0.03 0.00 -0.02 0.00 0.00 41.25 40.73 3nix s ASN 226 CO 0.00 -0.58 0.05 -0.89 -2.57 0.00 0.00 177.10 173.11 3nix s THR 227 N -2.54 -0.08 -0.02 1.60 2.01 0.11 -0.64 115.64 116.08 3nix s THR 227 Ca 0.44 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 3nix s THR 227 Cb 0.01 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 3nix s THR 227 CO 0.25 0.13 1.13 -0.55 -0.69 0.00 0.00 174.62 174.89 3nix s SER 228 N 1.55 7.14 -0.06 3.53 0.15 0.91 -0.63 113.70 126.29 3nix s SER 228 Ca -0.03 1.81 0.02 0.00 0.70 0.00 0.00 55.95 58.45 3nix s SER 228 Cb -0.13 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3nix s SER 228 CO -0.03 -0.47 -0.12 -0.69 1.20 0.00 0.00 173.24 173.13 3nix s VAL 229 N 1.62 1.11 -0.07 4.45 1.01 -0.43 -0.95 120.40 127.15 3nix s VAL 229 Ca 0.55 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3nix s VAL 229 Cb -0.25 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.15 3nix s VAL 229 CO 0.25 0.35 0.16 -0.83 0.00 0.00 0.00 175.10 175.03 3nix s GLY 230 N 0.62 -0.09 -0.09 4.51 0.00 -0.90 -2.01 107.32 109.36 3nix s GLY 230 Ca -0.13 0.57 -0.16 0.00 0.00 0.00 0.00 44.72 44.99 3nix s GLY 230 CO 0.03 0.65 0.41 -1.36 0.00 0.00 0.00 173.10 172.83 3nix s PHE 231 N 0.52 3.57 0.00 1.90 0.40 -0.44 0.58 117.98 124.51 3nix s PHE 231 Ca -0.04 0.85 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 3nix s PHE 231 Cb -0.05 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.06 3nix s PHE 231 CO -0.02 0.34 -0.05 0.08 0.70 0.00 0.00 175.22 176.27 3nix s VAL 232 N 0.03 0.37 -5.00 -0.44 1.01 0.10 -1.90 120.40 114.57 3nix s VAL 232 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3nix s VAL 232 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3nix s VAL 232 CO 0.10 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3nix n GLY 233 N 2.81 0.11 3.69 4.51 0.00 -1.03 0.02 105.19 115.31 3nix n GLY 233 Ca -0.14 -1.29 -0.57 0.00 0.00 0.00 0.00 46.02 44.02 3nix n GLY 233 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nix n GLU 234 N 0.00 1.09 0.01 1.61 -0.58 -0.86 -2.20 120.64 119.70 3nix n GLU 234 Ca 0.00 0.40 0.11 0.00 -0.42 0.00 0.00 57.16 57.25 3nix n GLU 234 Cb 0.00 -2.07 0.55 0.00 -0.57 0.00 0.00 31.44 29.35 3nix n GLU 234 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3nix h PRO 235 N 6.66 0.28 -0.74 3.49 0.11 -1.90 -2.13 132.00 137.76 3nix h PRO 235 Ca -0.47 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.73 3nix h PRO 235 Cb 1.32 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 3nix h PRO 235 CO 0.93 0.19 0.37 0.66 -0.21 0.00 0.00 178.00 179.94 3nix h SER 236 N 0.29 0.48 -0.85 -2.05 4.64 -1.98 -1.45 113.55 112.63 3nix h SER 236 Ca 0.20 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.67 3nix h SER 236 Cb 0.43 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 3nix h SER 236 CO -0.04 0.26 0.50 0.22 -0.87 0.00 0.00 176.83 176.90 3nix h TYR 237 N 0.61 0.92 -0.32 4.77 3.20 -1.76 -1.31 116.97 123.08 3nix h TYR 237 Ca 0.37 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.23 3nix h TYR 237 Cb 0.41 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3nix h TYR 237 CO -0.11 0.41 0.03 0.74 -1.64 0.00 0.00 178.16 177.59 3nix h PHE 238 N 0.87 0.49 0.00 -3.82 -1.00 -1.34 -1.58 116.94 110.56 3nix h PHE 238 Ca 0.40 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.14 3nix h PHE 238 Cb 0.30 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.72 3nix h PHE 238 CO -0.05 0.47 0.00 -0.25 -1.61 0.00 0.00 178.31 176.87 3nix n ASP 239 N -4.32 0.34 0.05 2.17 8.00 -0.50 -1.63 116.55 120.67 3nix n ASP 239 Ca 0.01 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.23 3nix n ASP 239 Cb 0.21 -0.67 0.46 0.00 -0.02 0.00 0.00 41.12 41.10 3nix n ASP 239 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3nix n GLU 240 N -1.90 0.10 -4.56 -1.24 1.02 -0.59 -4.71 120.64 108.75 3nix n GLU 240 Ca 0.02 0.21 -0.33 0.00 -0.02 0.00 0.00 57.16 57.03 3nix n GLU 240 Cb 0.15 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 3nix n GLU 240 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3nix s TYR 241 N -3.09 2.86 0.16 -0.32 2.02 -0.65 -5.12 117.35 113.21 3nix s TYR 241 Ca 0.09 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 3nix s TYR 241 Cb 0.13 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3nix s TYR 241 CO 0.44 -0.26 0.17 -0.08 -1.57 0.00 0.00 175.55 174.25 3nix s THR 242 N 0.57 4.70 -0.18 -0.71 -1.32 -1.26 -4.95 115.64 112.48 3nix s THR 242 Ca -0.07 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 3nix s THR 242 Cb -0.15 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 3nix s THR 242 CO 0.03 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3nix n GLY 243 N -0.35 0.39 3.89 6.08 0.00 -1.26 -4.37 105.19 109.56 3nix n GLY 243 Ca -0.08 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 3nix n GLY 243 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nix s THR 244 N -0.13 4.86 0.24 2.61 -1.32 -1.26 -4.79 115.64 115.85 3nix s THR 244 Ca 0.00 0.41 -0.13 0.00 -1.21 0.00 0.00 61.69 60.76 3nix s THR 244 Cb 0.00 -3.76 0.32 0.00 -1.51 0.00 0.00 72.50 67.55 3nix s THR 244 CO 0.00 -0.53 1.58 -0.65 -2.21 0.00 0.00 174.62 172.81 3nix h PRO 245 N 1.18 -0.02 -0.53 7.08 0.11 -1.96 1.04 132.00 138.90 3nix h PRO 245 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3nix h PRO 245 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3nix h PRO 245 CO 0.64 -0.01 0.29 1.49 -0.21 0.00 0.00 178.00 180.19 3nix h GLU 246 N -0.02 0.72 -0.06 1.05 4.81 -1.93 -3.03 114.58 116.11 3nix h GLU 246 Ca 0.38 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3nix h GLU 246 Cb 0.61 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3nix h GLU 246 CO -0.86 0.53 -0.02 0.93 -0.73 0.00 0.00 179.01 178.86 3nix h GLU 247 N 0.73 0.12 -1.34 1.92 5.08 0.55 -2.13 114.58 119.52 3nix h GLU 247 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3nix h GLU 247 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3nix h GLU 247 CO -0.03 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 178.98 3nix n ARG 248 N -4.82 0.21 0.00 2.33 1.74 0.10 -1.67 116.66 114.56 3nix n ARG 248 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3nix n ARG 248 Cb 0.23 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3nix n ARG 248 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3nix n ARG 250 N 0.75 0.00 0.00 5.56 1.74 -0.80 -4.60 116.66 119.32 3nix n ARG 250 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3nix n ARG 250 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 3nix n ARG 250 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nix n ALA 251 N 0.00 1.97 0.00 7.54 0.00 -0.67 -1.22 120.51 128.13 3nix n ALA 251 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3nix n ALA 251 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3nix n ALA 251 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3nix n ILE 253 N 0.39 0.00 0.06 0.00 5.41 -1.26 -2.79 119.36 121.16 3nix n ILE 253 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 3nix n ILE 253 Cb 0.21 0.00 0.56 0.00 -0.71 0.00 0.00 39.64 39.70 3nix n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3nix h ALA 254 N 0.00 2.03 0.00 -1.39 0.00 -1.45 -1.66 119.26 116.79 3nix h ALA 254 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3nix h ALA 254 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3nix h ALA 254 CO 0.00 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.24 3nix n ASN 255 N -4.48 0.32 -3.81 0.00 3.02 -1.12 -4.68 115.26 104.51 3nix n ASN 255 Ca 0.04 -1.81 -0.27 0.00 -0.03 0.00 0.00 54.58 52.51 3nix n ASN 255 Cb 0.26 -0.16 -0.17 0.00 -0.61 0.00 0.00 39.78 39.10 3nix n ASN 255 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3nix s GLU 256 N -1.65 0.98 0.37 3.52 2.56 -0.62 -5.04 118.70 118.82 3nix s GLU 256 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 54.97 54.64 3nix s GLU 256 Cb 0.00 -1.95 0.84 0.00 2.00 0.00 0.00 34.13 35.02 3nix s GLU 256 CO 0.00 -0.52 1.92 0.78 -0.56 0.00 0.00 175.26 176.88 3nix h GLY 257 N 8.19 0.99 2.00 -1.50 0.00 -1.85 0.21 103.07 111.11 3nix h GLY 257 Ca -0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3nix h GLY 257 CO 0.35 0.14 -0.11 0.84 0.00 0.00 0.00 176.54 177.76 3nix h HIS 258 N 0.65 0.00 0.00 5.60 6.17 -1.94 -3.34 115.15 122.30 3nix h HIS 258 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.45 3nix h HIS 258 Cb 0.56 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.49 3nix h HIS 258 CO -0.00 0.11 -0.56 0.44 0.71 0.00 0.00 177.93 178.63 3nix n ILE 259 N -3.33 0.00 -0.34 6.26 -5.35 -0.81 -4.88 119.36 110.91 3nix n ILE 259 Ca -0.01 -0.04 -0.02 0.00 -0.27 0.00 0.00 62.75 62.42 3nix n ILE 259 Cb 0.31 0.39 0.03 0.00 -1.74 0.00 0.00 39.64 38.63 3nix n ILE 259 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nix h ALA 260 N 0.00 0.11 -0.12 -1.28 0.00 -0.68 -1.36 119.26 115.94 3nix h ALA 260 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 3nix h ALA 260 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3nix h ALA 260 CO 0.00 -0.64 -0.73 1.49 0.00 0.00 0.00 179.25 179.37 3nix h GLU 261 N -0.04 0.57 -0.30 0.00 4.57 -1.85 -2.16 114.58 115.38 3nix h GLU 261 Ca 0.32 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 3nix h GLU 261 Cb 0.59 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3nix h GLU 261 CO -0.91 1.08 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.82 3nix h ARG 262 N 0.39 0.48 -0.02 1.92 2.43 -1.61 -2.93 114.38 115.04 3nix h ARG 262 Ca -0.04 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3nix h ARG 262 Cb 1.33 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3nix h ARG 262 CO 0.14 0.58 -0.14 1.19 -1.51 0.00 0.00 179.97 180.22 3nix n PHE 263 N -4.23 0.00 -1.69 2.20 3.72 -0.89 -4.51 117.46 112.06 3nix n PHE 263 Ca 0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.96 3nix n PHE 263 Cb 0.29 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 3nix n PHE 263 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3nix n LYS 264 N 0.57 2.41 -0.81 -1.08 4.81 -0.81 -1.53 118.16 121.72 3nix n LYS 264 Ca 0.09 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 3nix n LYS 264 Cb 0.41 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.78 3nix n LYS 264 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3nix n SER 265 N 3.95 -2.62 -4.82 3.14 7.64 -1.26 -4.96 113.62 114.69 3nix n SER 265 Ca 0.17 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.72 3nix n SER 265 Cb 0.31 -2.34 -0.07 0.00 -1.01 0.00 0.00 64.21 61.10 3nix n SER 265 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3nix s GLU 266 N -1.14 4.20 0.37 1.43 0.41 -0.58 -5.02 118.70 118.36 3nix s GLU 266 Ca 0.00 1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 55.33 3nix s GLU 266 Cb 0.00 -2.29 -0.09 0.00 -1.78 0.00 0.00 34.13 29.97 3nix s GLU 266 CO 0.00 0.04 1.03 -2.00 -0.49 0.00 0.00 175.26 173.85 3nix s GLU 267 N -3.04 4.32 -0.19 1.61 2.12 -1.26 -4.90 118.70 117.35 3nix s GLU 267 Ca 0.59 1.51 -0.08 0.00 0.36 0.00 0.00 54.97 57.35 3nix s GLU 267 Cb -0.10 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 3nix s GLU 267 CO 0.15 -0.00 0.08 -0.06 -0.54 0.00 0.00 175.26 174.89 3nix s PHE 268 N -1.58 3.27 0.37 5.30 0.40 -1.26 -1.82 117.98 122.65 3nix s PHE 268 Ca 0.54 0.09 0.25 0.00 -0.60 0.00 0.00 56.93 57.22 3nix s PHE 268 Cb -0.23 -2.11 1.29 0.00 0.51 0.00 0.00 43.02 42.48 3nix s PHE 268 CO 0.29 0.14 2.01 -0.07 0.70 0.00 0.00 175.22 178.28 3nix h LEU 269 N 6.85 0.00 -7.69 -0.37 -0.00 -1.35 -3.44 115.31 109.31 3nix h LEU 269 Ca -0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.40 3nix h LEU 269 Cb 1.17 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.66 3nix h LEU 269 CO 0.70 0.16 -0.35 0.72 -0.00 0.00 0.00 178.44 179.67 3nix s PHE 270 N -4.13 0.01 0.04 1.13 -0.71 -1.26 -5.01 117.98 108.05 3nix s PHE 270 Ca -0.02 -0.22 -0.35 0.00 -1.04 0.00 0.00 56.93 55.30 3nix s PHE 270 Cb 0.13 0.01 -0.14 0.00 -1.21 0.00 0.00 43.02 41.81 3nix s PHE 270 CO 0.61 -0.46 1.66 -1.91 -1.34 0.00 0.00 175.22 173.78 3nix n GLU 271 N 0.61 1.96 -1.45 1.99 2.13 -1.26 -4.73 120.64 119.89 3nix n GLU 271 Ca -0.19 0.71 -0.39 0.00 0.66 0.00 0.00 57.16 57.95 3nix n GLU 271 Cb 0.59 -2.48 0.02 0.00 0.27 0.00 0.00 31.44 29.84 3nix n GLU 271 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3nix n PRO 272 N 4.52 0.52 -4.51 5.31 -0.02 -1.26 -4.95 135.00 134.62 3nix n PRO 272 Ca 0.20 0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 3nix n PRO 272 Cb 0.27 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 3nix n PRO 272 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3nix s ARG 273 N -1.81 1.71 -0.12 -0.52 0.52 0.45 -4.80 118.95 114.38 3nix s ARG 273 Ca 0.66 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3nix s ARG 273 Cb -0.51 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 3nix s ARG 273 CO 0.57 0.49 -0.04 0.99 0.02 0.00 0.00 175.30 177.33 3nix s THR 274 N -1.01 3.92 -0.06 0.02 2.01 -1.26 -1.95 115.64 117.31 3nix s THR 274 Ca 0.15 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.79 3nix s THR 274 Cb -0.10 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.75 3nix s THR 274 CO 0.06 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.83 3nix s ILE 275 N -0.11 0.76 0.03 1.82 1.01 -0.82 -4.99 121.20 118.90 3nix s ILE 275 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.49 3nix s ILE 275 Cb -0.13 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3nix s ILE 275 CO 0.02 0.28 -0.16 -0.70 0.00 0.00 0.00 174.94 174.39 3nix s GLU 276 N 0.94 1.09 -0.90 2.79 2.12 -1.26 0.32 118.70 123.79 3nix s GLU 276 Ca -0.10 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 3nix s GLU 276 Cb -0.15 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.13 3nix s GLU 276 CO 0.00 0.28 0.77 0.41 -0.54 0.00 0.00 175.26 176.19 3nix n GLY 277 N 2.04 -0.12 0.09 -1.50 0.00 0.02 -4.90 105.19 100.81 3nix n GLY 277 Ca -0.17 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3nix n GLY 277 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3nix n TYR 278 N -3.72 0.75 -2.83 1.61 0.18 -1.26 -4.77 117.16 107.12 3nix n TYR 278 Ca -0.11 0.22 -0.42 0.00 1.88 0.00 0.00 57.90 59.48 3nix n TYR 278 Cb 0.58 -0.86 -0.04 0.00 -0.38 0.00 0.00 39.34 38.65 3nix n TYR 278 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3nix s ALA 279 N -3.10 3.60 0.13 -3.48 0.00 -1.26 -4.74 121.76 112.91 3nix s ALA 279 Ca 0.11 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 3nix s ALA 279 Cb 0.13 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.97 3nix s ALA 279 CO 0.56 -0.85 0.49 -1.50 0.00 0.00 0.00 175.76 174.47 3nix s ILE 280 N 2.66 0.04 0.21 0.00 1.10 -1.22 -4.22 121.20 119.77 3nix s ILE 280 Ca 0.39 -0.31 -0.01 0.00 -0.51 0.00 0.00 60.65 60.21 3nix s ILE 280 Cb -0.16 -1.08 -0.04 0.00 0.15 0.00 0.00 42.46 41.34 3nix s ILE 280 CO 0.09 -0.17 0.16 -0.55 -2.11 0.00 0.00 174.94 172.36 3nix s SER 281 N -2.70 0.23 0.15 4.50 0.15 0.69 -1.79 113.70 114.91 3nix s SER 281 Ca 0.01 -1.39 0.06 0.00 0.70 0.00 0.00 55.95 55.34 3nix s SER 281 Cb 0.00 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 3nix s SER 281 CO -0.11 -0.87 0.01 0.00 1.20 0.00 0.00 173.24 173.47 3nix s ALA 282 N -4.11 3.27 -0.04 5.45 0.00 -0.14 0.43 121.76 126.62 3nix s ALA 282 Ca 0.38 -1.28 0.12 0.00 0.00 0.00 0.00 51.96 51.19 3nix s ALA 282 Cb 0.06 -1.09 -0.10 0.00 0.00 0.00 0.00 23.12 21.99 3nix s ALA 282 CO 0.13 0.55 1.18 0.66 0.00 0.00 0.00 175.76 178.28 3nix h SER 283 N 2.88 0.00 -5.21 0.00 4.64 -0.91 -3.43 113.55 111.52 3nix h SER 283 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 3nix h SER 283 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 3nix h SER 283 CO 0.59 0.75 -0.46 -1.59 -0.87 0.00 0.00 176.83 175.24 3nix s LYS 284 N -2.82 0.82 -0.01 4.77 -2.85 -1.26 -5.07 119.74 113.31 3nix s LYS 284 Ca 0.01 -1.08 0.18 0.00 -1.00 0.00 0.00 55.97 54.08 3nix s LYS 284 Cb 0.09 0.31 -0.23 0.00 -2.06 0.00 0.00 37.83 35.93 3nix s LYS 284 CO 0.79 -0.24 0.62 1.28 0.10 0.00 0.00 175.35 177.90 3nix n LEU 285 N -0.03 0.51 -4.00 2.77 4.32 -1.26 -4.94 117.00 114.37 3nix n LEU 285 Ca -0.13 -0.30 -0.12 0.00 -0.02 0.00 0.00 56.01 55.44 3nix n LEU 285 Cb 0.62 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.40 3nix n LEU 285 CO 0.25 0.13 0.26 -0.72 -1.22 0.00 0.00 177.39 176.08 3nix s TYR 286 N -2.94 0.70 -0.10 -1.77 1.13 -1.26 -0.63 117.35 112.48 3nix s TYR 286 Ca 0.01 -1.07 -0.32 0.00 -1.41 0.00 0.00 57.07 54.28 3nix s TYR 286 Cb 0.13 0.22 0.13 0.00 -1.10 0.00 0.00 41.96 41.34 3nix s TYR 286 CO 0.75 -1.25 1.41 0.20 -2.51 0.00 0.00 175.55 174.16 3nix s GLY 287 N -3.16 -0.38 -0.17 5.49 0.00 -1.00 -4.98 107.32 103.12 3nix s GLY 287 Ca 0.25 0.60 -0.39 0.00 0.00 0.00 0.00 44.72 45.18 3nix s GLY 287 CO 0.16 3.32 1.66 1.22 0.00 0.00 0.00 173.10 179.47 3nix n ASP 288 N -0.73 2.32 0.00 1.64 8.00 -1.26 -1.32 116.55 125.21 3nix n ASP 288 Ca -0.02 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.55 3nix n ASP 288 Cb 0.61 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3nix n ASP 288 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nix n GLY 289 N 3.81 0.55 3.53 0.44 0.00 -1.24 -4.80 105.19 107.49 3nix n GLY 289 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 3nix n GLY 289 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3nix s PHE 290 N -2.45 0.24 -0.05 1.61 -0.71 -0.43 0.04 117.98 116.22 3nix s PHE 290 Ca 0.00 -0.60 -0.09 0.00 -1.04 0.00 0.00 56.93 55.20 3nix s PHE 290 Cb 0.00 0.20 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 3nix s PHE 290 CO 0.00 -0.93 0.23 0.54 -1.34 0.00 0.00 175.22 173.72 3nix s VAL 291 N -3.97 0.03 0.14 -2.49 0.11 -0.82 -2.39 120.40 111.01 3nix s VAL 291 Ca 0.18 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3nix s VAL 291 Cb -0.00 -0.41 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 3nix s VAL 291 CO 0.04 -0.14 0.38 -0.76 -3.33 0.00 0.00 175.10 171.29 3nix s LEU 292 N -0.49 4.27 0.20 2.54 1.43 0.20 -2.01 118.68 124.81 3nix s LEU 292 Ca -0.06 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 3nix s LEU 292 Cb -0.04 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3nix s LEU 292 CO 0.01 0.06 0.24 0.42 0.23 0.00 0.00 176.35 177.31 3nix s THR 293 N -1.65 0.02 0.00 5.49 -4.23 -0.78 -4.88 115.64 109.62 3nix s THR 293 Ca 0.41 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3nix s THR 293 Cb -0.12 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3nix s THR 293 CO 0.24 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3nix n GLY 294 N -0.28 3.15 0.29 3.99 0.00 -1.26 -1.84 105.19 109.24 3nix n GLY 294 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3nix n GLY 294 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nix n ASN 295 N 3.31 0.87 -1.06 1.61 5.03 -1.26 -2.16 115.26 121.60 3nix n ASN 295 Ca 0.00 -1.55 0.08 0.00 0.87 0.00 0.00 54.58 53.98 3nix n ASN 295 Cb 0.00 -0.05 0.24 0.00 -1.02 0.00 0.00 39.78 38.95 3nix n ASN 295 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nix n ALA 296 N -0.22 2.60 -1.67 5.41 0.00 -0.76 -4.50 120.51 121.36 3nix n ALA 296 Ca 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3nix n ALA 296 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3nix n ALA 296 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3nix n THR 297 N 0.94 0.00 -3.82 0.00 -1.04 -0.92 -4.58 114.28 104.86 3nix n THR 297 Ca 0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.07 3nix n THR 297 Cb 0.53 -0.50 -0.13 0.00 -1.82 0.00 0.00 70.33 68.41 3nix n THR 297 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3nix s GLU 298 N 0.00 0.16 -0.02 -2.82 2.12 -1.25 -0.97 118.70 115.92 3nix s GLU 298 Ca 0.00 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.58 3nix s GLU 298 Cb 0.00 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 3nix s GLU 298 CO 0.00 -0.02 -0.17 0.12 -0.54 0.00 0.00 175.26 174.65 3nix s PHE 299 N 0.10 2.62 0.00 5.30 5.36 -0.74 -4.74 117.98 125.89 3nix s PHE 299 Ca -0.00 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 3nix s PHE 299 Cb -0.01 -1.57 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 3nix s PHE 299 CO 0.00 0.17 0.00 1.28 -1.46 0.00 0.00 175.22 175.21 3nix n LEU 300 N 2.14 0.00 -3.50 6.12 4.77 -1.26 -3.44 117.00 121.84 3nix n LEU 300 Ca -0.17 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.66 3nix n LEU 300 Cb 0.52 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3nix n LEU 300 CO 0.25 -0.05 0.48 -0.62 -1.33 0.00 0.00 177.39 176.12 3nix s ASP 301 N -1.24 -0.59 0.45 -1.43 2.15 -1.26 -4.60 116.67 110.15 3nix s ASP 301 Ca 0.00 0.45 0.30 0.00 0.43 0.00 0.00 52.55 53.73 3nix s ASP 301 Cb 0.00 0.52 1.32 0.00 -0.30 0.00 0.00 42.92 44.46 3nix s ASP 301 CO 0.00 -0.68 1.91 1.55 -0.17 0.00 0.00 175.17 177.78 3nix h PRO 302 N 2.62 0.00 -6.83 4.34 0.13 -2.01 -3.42 132.00 126.83 3nix h PRO 302 Ca -0.28 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 3nix h PRO 302 Cb 1.19 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.39 3nix h PRO 302 CO 0.37 0.00 0.72 -1.50 -0.23 0.00 0.00 178.00 177.37 3nix s ILE 303 N -3.58 2.54 0.00 -3.56 1.10 -1.26 -1.67 121.20 114.77 3nix s ILE 303 Ca 0.02 0.50 0.00 0.00 -0.51 0.00 0.00 60.65 60.66 3nix s ILE 303 Cb 0.09 -3.32 0.00 0.00 0.15 0.00 0.00 42.46 39.38 3nix s ILE 303 CO 0.46 0.10 0.00 0.49 -2.11 0.00 0.00 174.94 173.88 3nix n PHE 304 N 1.43 0.00 -3.70 3.50 3.72 -1.26 -4.59 117.46 116.56 3nix n PHE 304 Ca 0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.17 3nix n PHE 304 Cb 0.40 -0.46 0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3nix n PHE 304 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3nix n SER 305 N 0.00 -3.30 -0.21 4.37 7.64 -0.67 -4.89 113.62 116.55 3nix n SER 305 Ca 0.00 -0.93 0.08 0.00 1.01 0.00 0.00 58.87 59.03 3nix n SER 305 Cb 0.00 -3.69 -0.05 0.00 -1.01 0.00 0.00 64.21 59.46 3nix n SER 305 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3nix n SER 306 N -2.90 1.29 0.36 6.43 3.41 -1.26 -4.54 113.62 116.41 3nix n SER 306 Ca -0.19 -1.15 -0.18 0.00 -0.26 0.00 0.00 58.87 57.09 3nix n SER 306 Cb 0.64 0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 65.21 3nix n SER 306 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3nix h GLY 307 N 3.87 -1.06 1.10 5.00 0.00 -1.90 0.27 103.07 110.35 3nix h GLY 307 Ca 0.00 0.43 0.12 0.00 0.00 0.00 0.00 47.33 47.88 3nix h GLY 307 CO 0.00 -0.37 0.34 0.00 0.00 0.00 0.00 176.54 176.51 3nix h ALA 308 N -0.70 2.27 0.12 3.60 0.00 -1.90 0.35 119.26 123.00 3nix h ALA 308 Ca -0.08 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3nix h ALA 308 Cb 0.79 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.59 3nix h ALA 308 CO 0.08 -0.40 -0.99 1.15 0.00 0.00 0.00 179.25 179.09 3nix h THR 309 N 0.14 1.39 -0.33 0.00 2.02 -1.66 -3.26 112.91 111.20 3nix h THR 309 Ca 0.23 -2.42 0.02 0.00 0.77 0.00 0.00 66.41 65.01 3nix h THR 309 Cb 0.73 2.87 -0.03 0.00 -1.74 0.00 0.00 68.15 69.98 3nix h THR 309 CO -0.03 0.71 0.17 -0.26 0.37 0.00 0.00 175.52 176.48 3nix h PHE 310 N -0.03 0.32 0.00 3.16 0.04 0.21 0.29 116.94 120.93 3nix h PHE 310 Ca -0.16 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.63 3nix h PHE 310 Cb 1.72 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.78 3nix h PHE 310 CO 0.15 0.17 0.00 0.00 -0.60 0.00 0.00 178.31 178.03 3nix n ALA 311 N -2.25 0.67 0.00 2.45 0.00 0.12 0.48 120.51 121.98 3nix n ALA 311 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3nix n ALA 311 Cb 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3nix n ALA 311 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3nix n GLU 313 N 0.08 0.00 0.02 0.00 4.07 0.10 -0.11 120.64 124.80 3nix n GLU 313 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 3nix n GLU 313 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 3nix n GLU 313 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3nix h SER 314 N 0.00 0.36 -0.74 4.31 4.64 -0.20 -1.68 113.55 120.24 3nix h SER 314 Ca 0.00 -0.91 0.16 0.00 -0.47 0.00 0.00 61.79 60.56 3nix h SER 314 Cb 0.00 -0.12 -0.14 0.00 -0.31 0.00 0.00 62.40 61.84 3nix h SER 314 CO 0.00 1.40 -0.11 1.23 -0.87 0.00 0.00 176.83 178.48 3nix h GLY 315 N -0.38 0.65 0.71 -0.77 0.00 -0.73 0.45 103.07 103.00 3nix h GLY 315 Ca -0.17 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3nix h GLY 315 CO 0.09 -0.29 -0.50 0.23 0.00 0.00 0.00 176.54 176.08 3nix h SER 316 N 0.03 -1.29 -0.58 0.19 0.87 -1.77 0.41 113.55 111.41 3nix h SER 316 Ca 0.38 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3nix h SER 316 Cb 0.62 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3nix h SER 316 CO -0.72 -0.73 0.38 0.11 -0.53 0.00 0.00 176.83 175.34 3nix h LYS 317 N -1.15 0.75 -0.70 2.24 6.56 -0.80 -2.16 116.57 121.32 3nix h LYS 317 Ca -0.09 -0.05 0.08 0.00 -1.06 0.00 0.00 60.65 59.54 3nix h LYS 317 Cb 0.94 -0.17 -0.07 0.00 -0.57 0.00 0.00 32.23 32.36 3nix h LYS 317 CO 0.05 0.50 0.36 0.78 -2.06 0.00 0.00 179.45 179.08 3nix h GLY 318 N 0.78 1.05 0.75 3.86 0.00 0.05 -0.65 103.07 108.90 3nix h GLY 318 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3nix h GLY 318 CO -0.05 0.09 -0.00 -1.33 0.00 0.00 0.00 176.54 175.24 3nix h GLY 319 N 0.63 -0.01 1.04 4.60 0.00 -0.28 -0.53 103.07 108.52 3nix h GLY 319 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 3nix h GLY 319 CO -0.25 -0.00 0.37 0.50 0.00 0.00 0.00 176.54 177.16 3nix h LYS 320 N -0.26 1.18 -0.32 4.80 1.57 -1.12 -0.47 116.57 121.96 3nix h LYS 320 Ca -0.00 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3nix h LYS 320 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3nix h LYS 320 CO 0.00 0.92 0.09 -0.07 -0.57 0.00 0.00 179.45 179.83 3nix h LEU 321 N 1.15 0.47 -0.70 2.94 3.38 -1.05 -2.22 115.31 119.29 3nix h LEU 321 Ca 0.27 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.16 3nix h LEU 321 Cb 0.15 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 3nix h LEU 321 CO -0.03 0.56 0.24 0.00 0.09 0.00 0.00 178.44 179.30 3nix h ALA 322 N 0.93 0.94 -0.91 1.53 0.00 -0.38 -1.01 119.26 120.35 3nix h ALA 322 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3nix h ALA 322 Cb 0.27 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3nix h ALA 322 CO -0.00 -0.25 0.57 0.28 0.00 0.00 0.00 179.25 179.85 3nix h VAL 323 N 0.37 1.24 -0.84 0.00 2.07 -0.80 0.55 116.25 118.84 3nix h VAL 323 Ca 0.38 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3nix h VAL 323 Cb 0.58 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3nix h VAL 323 CO -0.41 0.25 0.40 1.56 0.02 0.00 0.00 177.57 179.39 3nix h GLN 324 N 1.25 1.20 0.71 1.57 4.20 -0.67 -0.71 115.11 122.66 3nix h GLN 324 Ca 0.33 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3nix h GLN 324 Cb -0.09 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.48 3nix h GLN 324 CO -0.07 0.92 -0.34 0.35 -0.67 0.00 0.00 178.83 179.03 3nix h PHE 325 N 1.19 -0.89 -0.32 2.96 3.57 0.07 -0.93 116.94 122.60 3nix h PHE 325 Ca 0.29 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.80 3nix h PHE 325 Cb 0.12 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3nix h PHE 325 CO 0.01 -0.55 0.22 -0.07 -2.23 0.00 0.00 178.31 175.69 3nix h LEU 326 N -0.97 0.24 0.00 0.59 3.38 -0.84 0.85 115.31 118.57 3nix h LEU 326 Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3nix h LEU 326 Cb 0.74 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3nix h LEU 326 CO 0.16 0.16 0.00 0.29 0.09 0.00 0.00 178.44 179.15 3nix n LYS 327 N -4.49 0.04 -0.26 1.13 5.02 -0.29 -4.85 118.16 114.47 3nix n LYS 327 Ca 0.03 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3nix n LYS 327 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3nix n LYS 327 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nix n GLY 328 N 0.19 1.03 3.72 0.72 0.00 0.29 -5.06 105.19 106.09 3nix n GLY 328 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3nix n GLY 328 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nix s GLU 329 N -0.53 1.31 -0.07 1.61 2.02 -0.37 -5.00 118.70 117.67 3nix s GLU 329 Ca 0.00 0.88 -0.30 0.00 0.02 0.00 0.00 54.97 55.57 3nix s GLU 329 Cb 0.00 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 3nix s GLU 329 CO 0.00 -2.22 1.04 -2.00 0.02 0.00 0.00 175.26 172.09 3nix s GLU 330 N -4.91 4.44 -0.12 1.61 2.56 -1.26 -4.44 118.70 116.58 3nix s GLU 330 Ca 0.63 1.46 -0.00 0.00 0.00 0.00 0.00 54.97 57.06 3nix s GLU 330 Cb -0.18 -3.52 -0.02 0.00 2.00 0.00 0.00 34.13 32.41 3nix s GLU 330 CO 0.57 -0.27 -0.11 0.08 -0.56 0.00 0.00 175.26 174.97 3nix s VAL 331 N 1.77 3.24 -1.09 3.70 1.01 -1.26 -4.96 120.40 122.81 3nix s VAL 331 Ca 0.51 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3nix s VAL 331 Cb -0.20 -2.36 0.27 0.00 0.00 0.00 0.00 36.38 34.09 3nix s VAL 331 CO 0.21 0.53 1.08 0.21 0.00 0.00 0.00 175.10 177.14 3nix s ASN 332 N 0.11 7.24 0.50 3.32 3.84 -1.26 -4.87 114.94 123.81 3nix s ASN 332 Ca -0.05 -3.57 0.19 0.00 0.21 0.00 0.00 52.86 49.64 3nix s ASN 332 Cb -0.14 -2.19 1.27 0.00 -0.55 0.00 0.00 41.25 39.63 3nix s ASN 332 CO 0.04 -0.29 2.10 -0.50 -2.79 0.00 0.00 177.10 175.66 3nix h TRP 333 N 6.68 0.00 -0.21 0.43 4.06 -1.96 -1.15 115.95 123.80 3nix h TRP 333 Ca 0.17 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.94 3nix h TRP 333 Cb 0.88 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 3nix h TRP 333 CO 0.77 0.08 -0.61 1.49 -3.56 0.00 0.00 178.44 176.61 3nix h GLU 334 N 0.00 0.69 0.00 0.49 4.57 -1.95 -1.69 114.58 116.68 3nix h GLU 334 Ca -0.00 -0.47 -0.20 0.00 -1.18 0.00 0.00 59.36 57.51 3nix h GLU 334 Cb 0.16 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3nix h GLU 334 CO 0.01 1.09 -1.15 -0.22 -1.18 0.00 0.00 179.01 177.57 3nix h LYS 335 N 0.52 0.00 0.00 1.92 3.64 -1.89 -1.63 116.57 119.13 3nix h LYS 335 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3nix h LYS 335 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3nix h LYS 335 CO 0.12 0.85 -0.39 -0.44 -2.27 0.00 0.00 179.45 177.33 3nix h ASP 336 N -1.00 0.00 0.00 4.20 3.32 -1.36 -3.06 116.42 118.52 3nix h ASP 336 Ca -0.30 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3nix h ASP 336 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3nix h ASP 336 CO -0.18 0.02 0.00 0.33 -1.72 0.00 0.00 179.24 177.69 3nix n PHE 337 N -2.67 0.00 -0.22 4.55 7.35 -1.02 -4.54 117.46 120.91 3nix n PHE 337 Ca 0.03 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.67 3nix n PHE 337 Cb 0.50 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.34 3nix n PHE 337 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3nix h VAL 338 N 0.00 0.15 -0.17 -2.13 2.07 -1.40 -2.33 116.25 112.44 3nix h VAL 338 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3nix h VAL 338 Cb 0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3nix h VAL 338 CO 0.00 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.34 3nix h GLU 339 N -0.15 0.26 -4.77 1.57 5.08 -1.34 -3.40 114.58 111.82 3nix h GLU 339 Ca 0.24 -0.04 -0.41 0.00 -1.00 0.00 0.00 59.36 58.15 3nix h GLU 339 Cb 0.55 -0.04 0.11 0.00 0.50 0.00 0.00 28.75 29.87 3nix h GLU 339 CO -0.71 0.31 1.20 1.58 -1.00 0.00 0.00 179.01 180.40 3nix n HIS 340 N -4.87 0.00 0.00 4.33 -0.00 -0.88 -4.69 115.22 109.11 3nix n HIS 340 Ca -0.04 -0.45 0.00 0.00 0.46 0.00 0.00 57.72 57.68 3nix n HIS 340 Cb 0.11 -0.68 0.00 0.00 -0.12 0.00 0.00 29.99 29.29 3nix n HIS 340 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3nix n GLN 343 N 6.95 0.00 -0.07 1.57 -0.06 -1.26 -4.74 117.38 119.76 3nix n GLN 343 Ca 0.33 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 55.18 3nix n GLN 343 Cb 0.31 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.36 3nix n GLN 343 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 3nix h GLY 344 N 0.00 0.00 0.51 1.69 0.00 -1.84 -2.77 103.07 100.66 3nix h GLY 344 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.38 3nix h GLY 344 CO 0.00 0.01 0.06 -2.22 0.00 0.00 0.00 176.54 174.39 3nix h ILE 345 N -0.99 0.79 -0.14 2.60 1.08 -1.94 -1.51 117.51 117.40 3nix h ILE 345 Ca -0.04 -0.06 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3nix h ILE 345 Cb 1.04 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 3nix h ILE 345 CO -0.02 0.03 -0.13 0.44 -0.69 0.00 0.00 178.15 177.78 3nix h ASP 346 N 0.18 0.20 0.81 1.72 3.32 -1.97 0.12 116.42 120.79 3nix h ASP 346 Ca 0.18 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3nix h ASP 346 Cb 0.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3nix h ASP 346 CO -0.25 0.36 -0.43 0.74 -1.72 0.00 0.00 179.24 177.93 3nix h THR 347 N 0.20 0.00 -0.91 0.35 2.02 -1.11 -2.08 112.91 111.38 3nix h THR 347 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 3nix h THR 347 Cb 0.36 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.69 3nix h THR 347 CO 0.02 0.00 0.55 -0.26 0.37 0.00 0.00 175.52 176.20 3nix h PHE 348 N -1.14 1.00 -0.56 3.16 0.04 -1.02 -2.22 116.94 116.20 3nix h PHE 348 Ca -0.11 0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.80 3nix h PHE 348 Cb 0.89 -0.31 -0.09 0.00 2.20 0.00 0.00 35.95 38.64 3nix h PHE 348 CO -0.02 0.42 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.01 3nix h ARG 349 N 0.92 0.10 -0.85 1.51 2.43 -0.72 0.41 114.38 118.18 3nix h ARG 349 Ca 0.43 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.73 3nix h ARG 349 Cb 0.37 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.81 3nix h ARG 349 CO -0.24 0.07 0.45 0.77 -1.51 0.00 0.00 179.97 179.51 3nix h SER 350 N 0.11 0.58 0.31 -3.80 0.02 -0.77 -1.56 113.55 108.43 3nix h SER 350 Ca 0.28 0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 61.12 3nix h SER 350 Cb 0.44 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3nix h SER 350 CO -0.48 0.26 -0.81 -0.26 -1.14 0.00 0.00 176.83 174.41 3nix h PHE 351 N 0.67 0.55 -0.63 3.45 -1.00 -0.29 -1.02 116.94 118.67 3nix h PHE 351 Ca 0.45 -0.26 0.02 0.00 2.81 0.00 0.00 57.97 60.99 3nix h PHE 351 Cb 0.59 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.04 3nix h PHE 351 CO -0.08 1.04 0.40 0.28 -1.61 0.00 0.00 178.31 178.35 3nix h VAL 352 N 0.25 1.12 -0.21 -0.55 2.07 -0.11 0.33 116.25 119.15 3nix h VAL 352 Ca -0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3nix h VAL 352 Cb 1.40 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3nix h VAL 352 CO 0.14 0.15 0.04 0.74 0.02 0.00 0.00 177.57 178.65 3nix h THR 353 N 0.81 1.22 -0.90 2.57 2.02 -1.13 -1.61 112.91 115.88 3nix h THR 353 Ca 0.24 -0.74 0.13 0.00 0.77 0.00 0.00 66.41 66.82 3nix h THR 353 Cb -0.03 1.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.60 3nix h THR 353 CO -0.08 0.23 0.52 1.23 0.37 0.00 0.00 175.52 177.79 3nix h GLY 354 N 0.14 1.47 1.01 2.16 0.00 -0.81 -1.46 103.07 105.58 3nix h GLY 354 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3nix h GLY 354 CO 0.00 0.06 0.45 -0.25 0.00 0.00 0.00 176.54 176.81 3nix h TRP 355 N 0.79 0.92 -0.01 5.60 2.91 0.53 -2.54 115.95 124.15 3nix h TRP 355 Ca 0.47 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.50 3nix h TRP 355 Cb 0.55 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 3nix h TRP 355 CO -0.05 0.60 -0.09 0.66 -1.03 0.00 0.00 178.44 178.54 3nix n TYR 356 N -4.56 0.00 -0.00 2.65 4.01 -0.69 -4.07 117.16 114.49 3nix n TYR 356 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3nix n TYR 356 Cb 0.04 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3nix n TYR 356 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3nix n ASP 357 N -0.16 1.89 0.00 7.72 5.75 -0.63 -4.87 116.55 126.23 3nix n ASP 357 Ca 0.17 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 3nix n ASP 357 Cb 0.34 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3nix n ASP 357 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nix n GLY 358 N -0.32 3.24 0.13 6.12 0.00 -1.18 -4.91 105.19 108.28 3nix n GLY 358 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3nix n GLY 358 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3nix h THR 359 N 0.00 1.24 -0.76 2.61 1.35 -1.88 -2.31 112.91 113.16 3nix h THR 359 Ca 0.00 -0.81 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 3nix h THR 359 Cb 0.00 1.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.78 3nix h THR 359 CO 0.00 0.25 0.38 0.25 -0.25 0.00 0.00 175.52 176.15 3nix h LEU 360 N 0.12 0.97 -0.38 3.87 5.85 -1.77 -1.92 115.31 122.05 3nix h LEU 360 Ca 0.06 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3nix h LEU 360 Cb 0.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3nix h LEU 360 CO 0.01 0.80 0.24 0.45 -0.34 0.00 0.00 178.44 179.60 3nix h HIS 361 N 1.07 0.45 -0.90 1.25 3.86 -1.77 0.16 115.15 119.28 3nix h HIS 361 Ca 0.26 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.59 3nix h HIS 361 Cb 0.08 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.34 3nix h HIS 361 CO 0.01 0.27 0.58 0.00 0.86 0.00 0.00 177.93 179.65 3nix h ALA 362 N 1.16 1.63 -0.12 2.45 0.00 -0.79 -0.38 119.26 123.21 3nix h ALA 362 Ca 0.15 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3nix h ALA 362 Cb -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3nix h ALA 362 CO -0.05 0.18 -0.57 0.28 0.00 0.00 0.00 179.25 179.09 3nix h VAL 363 N 0.89 1.34 -0.60 0.00 2.07 -0.75 -2.82 116.25 116.37 3nix h VAL 363 Ca 0.42 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 3nix h VAL 363 Cb 0.42 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3nix h VAL 363 CO -0.18 0.57 0.34 -0.26 0.02 0.00 0.00 177.57 178.06 3nix h PHE 364 N 0.24 0.81 -0.34 1.57 0.04 -0.23 -3.30 116.94 115.74 3nix h PHE 364 Ca -0.04 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3nix h PHE 364 Cb 1.21 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.10 3nix h PHE 364 CO 0.11 0.58 0.00 1.19 -0.60 0.00 0.00 178.31 179.58 3nix n PHE 365 N -4.59 1.22 -1.85 -0.55 3.72 -0.20 -4.58 117.46 110.63 3nix n PHE 365 Ca 0.04 -0.85 -0.40 0.00 -0.05 0.00 0.00 57.45 56.19 3nix n PHE 365 Cb 0.08 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 3nix n PHE 365 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nix s ALA 366 N -2.82 3.40 0.25 4.37 0.00 -1.06 -4.97 121.76 120.92 3nix s ALA 366 Ca 0.45 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 3nix s ALA 366 Cb 0.36 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 3nix s ALA 366 CO 0.10 -1.06 1.43 0.21 0.00 0.00 0.00 175.76 176.44 3nix s LYS 367 N -2.24 4.28 -1.19 0.00 2.20 -1.26 -3.31 119.74 118.22 3nix s LYS 367 Ca 0.56 2.28 -0.09 0.00 -0.36 0.00 0.00 55.97 58.37 3nix s LYS 367 Cb -0.44 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3nix s LYS 367 CO 0.58 -0.40 0.79 0.09 -0.36 0.00 0.00 175.35 176.05 3nix n ASN 368 N 2.27 -3.90 -4.66 1.43 3.02 -1.26 -4.91 115.26 107.25 3nix n ASN 368 Ca 0.06 -0.86 -0.40 0.00 -0.03 0.00 0.00 54.58 53.36 3nix n ASN 368 Cb 0.40 -4.13 0.02 0.00 -0.61 0.00 0.00 39.78 35.47 3nix n ASN 368 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3nix n PRO 369 N -3.99 1.52 -1.88 3.52 -0.04 -1.21 -4.88 135.00 128.04 3nix n PRO 369 Ca -0.17 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 3nix n PRO 369 Cb 0.63 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 3nix n PRO 369 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3nix s ASP 370 N -0.79 6.58 0.43 3.54 -1.08 -1.26 -4.90 116.67 119.19 3nix s ASP 370 Ca 0.66 2.45 0.11 0.00 -0.52 0.00 0.00 52.55 55.25 3nix s ASP 370 Cb -0.49 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.37 3nix s ASP 370 CO 0.54 -0.95 2.02 1.55 0.52 0.00 0.00 175.17 178.85 3nix h PRO 371 N 9.42 0.22 -0.04 4.34 0.13 -1.99 -1.90 132.00 142.17 3nix h PRO 371 Ca -0.43 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3nix h PRO 371 Cb 1.20 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3nix h PRO 371 CO 0.94 0.26 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.50 3nix h ASP 372 N 0.22 0.10 -0.89 1.44 3.32 -2.00 -2.59 116.42 116.02 3nix h ASP 372 Ca 0.05 -0.44 0.11 0.00 0.02 0.00 0.00 57.03 56.78 3nix h ASP 372 Cb 0.17 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 3nix h ASP 372 CO 0.00 0.52 0.52 0.45 -1.72 0.00 0.00 179.24 179.01 3nix h HIS 373 N -0.32 0.94 -0.71 4.55 3.86 -1.86 -2.65 115.15 118.96 3nix h HIS 373 Ca 0.01 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3nix h HIS 373 Cb 0.49 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 3nix h HIS 373 CO 0.08 0.35 0.45 -0.22 0.86 0.00 0.00 177.93 179.44 3nix h LYS 374 N 0.82 0.85 -0.58 2.45 1.63 -1.18 0.82 116.57 121.38 3nix h LYS 374 Ca 0.45 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 3nix h LYS 374 Cb 0.47 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3nix h LYS 374 CO -0.28 0.56 0.00 0.54 -3.45 0.00 0.00 179.45 176.82 3nix n ARG 375 N -4.66 0.11 0.00 1.90 1.74 -0.99 -0.36 116.66 114.40 3nix n ARG 375 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3nix n ARG 375 Cb 0.08 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3nix n ARG 375 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3nix n ILE 377 N 0.58 0.00 -0.28 0.55 5.41 0.28 -1.15 119.36 124.74 3nix n ILE 377 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.82 3nix n ILE 377 Cb 0.03 0.00 0.22 0.00 -0.71 0.00 0.00 39.64 39.19 3nix n ILE 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3nix h SER 379 N 0.54 0.00 0.19 0.00 0.02 -1.67 -0.06 113.55 112.57 3nix h SER 379 Ca 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3nix h SER 379 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3nix h SER 379 CO -0.39 0.45 -0.09 0.58 -1.14 0.00 0.00 176.83 176.23 3nix h VAL 380 N 0.00 0.91 -0.24 2.27 2.07 -1.46 -1.88 116.25 117.91 3nix h VAL 380 Ca -0.00 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3nix h VAL 380 Cb 0.95 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3nix h VAL 380 CO 0.06 0.14 0.18 -0.07 0.02 0.00 0.00 177.57 177.90 3nix h LEU 381 N -0.57 0.00 -0.00 2.57 3.38 -0.66 0.19 115.31 120.21 3nix h LEU 381 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3nix h LEU 381 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3nix h LEU 381 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3nix n ALA 382 N -2.55 2.30 0.00 1.53 0.00 -0.08 -4.85 120.51 116.86 3nix n ALA 382 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3nix n ALA 382 Cb 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3nix n ALA 382 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nix n GLY 383 N 1.40 0.88 2.63 0.00 0.00 0.67 -1.04 105.19 109.72 3nix n GLY 383 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3nix n GLY 383 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3nix n TYR 384 N -0.71 2.88 -0.29 1.61 4.01 -0.71 -4.67 117.16 119.28 3nix n TYR 384 Ca 0.00 -2.90 0.08 0.00 -0.16 0.00 0.00 57.90 54.92 3nix n TYR 384 Cb 0.00 -2.17 0.31 0.00 -0.31 0.00 0.00 39.34 37.17 3nix n TYR 384 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3nix n VAL 385 N 3.38 1.58 -0.08 -0.72 0.24 -1.26 -3.53 118.33 117.93 3nix n VAL 385 Ca 0.56 -1.00 0.05 0.00 -2.04 0.00 0.00 64.34 61.91 3nix n VAL 385 Cb 0.31 0.05 0.13 0.00 -1.47 0.00 0.00 33.84 32.86 3nix n VAL 385 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3nix n TRP 386 N 0.92 0.38 -3.10 6.34 8.01 -1.26 -4.46 117.44 124.27 3nix n TRP 386 Ca 0.22 -0.43 -0.45 0.00 -1.31 0.00 0.00 57.50 55.53 3nix n TRP 386 Cb 0.79 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 30.03 3nix n TRP 386 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 3nix s ASP 387 N -0.98 6.42 0.00 -0.99 -1.08 -1.23 -4.90 116.67 113.91 3nix s ASP 387 Ca 0.21 -1.84 0.17 0.00 -0.52 0.00 0.00 52.55 50.57 3nix s ASP 387 Cb 0.11 -2.31 0.96 0.00 -1.46 0.00 0.00 42.92 40.22 3nix s ASP 387 CO 0.15 -1.00 1.48 0.29 0.52 0.00 0.00 175.17 176.61 3nix n LYS 388 N 5.95 0.40 0.21 4.34 4.76 -1.26 -1.49 118.16 131.06 3nix n LYS 388 Ca 0.04 0.06 0.10 0.00 -2.87 0.00 0.00 58.31 55.64 3nix n LYS 388 Cb 0.45 -1.50 0.24 0.00 -1.84 0.00 0.00 35.03 32.38 3nix n LYS 388 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3nix h ASN 389 N 0.00 0.00 -3.59 4.39 4.21 -2.00 -3.41 115.58 115.18 3nix h ASN 389 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 3nix h ASN 389 Cb 0.08 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.20 3nix h ASN 389 CO 0.00 0.16 0.79 0.21 -1.29 0.00 0.00 177.43 177.30 3nix s ASN 390 N -6.21 6.67 0.56 5.81 3.84 -0.56 -4.89 114.94 120.16 3nix s ASN 390 Ca 0.05 0.52 0.25 0.00 0.21 0.00 0.00 52.86 53.89 3nix s ASN 390 Cb 0.07 -2.51 1.50 0.00 -0.55 0.00 0.00 41.25 39.76 3nix s ASN 390 CO 0.67 -1.08 2.08 -0.65 -2.79 0.00 0.00 177.10 175.33 3nix h PRO 391 N 8.86 0.00 0.00 0.43 0.11 -1.87 0.42 132.00 139.95 3nix h PRO 391 Ca -0.23 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.83 3nix h PRO 391 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3nix h PRO 391 CO 1.07 0.00 -0.27 0.74 -0.21 0.00 0.00 178.00 179.32 3nix h PHE 392 N 0.00 0.00 0.00 0.65 -1.00 -1.91 0.71 116.94 115.39 3nix h PHE 392 Ca 0.12 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 3nix h PHE 392 Cb 0.56 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 3nix h PHE 392 CO 0.00 0.27 -0.43 0.28 -1.61 0.00 0.00 178.31 176.83 3nix h VAL 393 N 0.00 0.88 -0.72 -0.55 2.07 -1.06 -3.12 116.25 113.74 3nix h VAL 393 Ca -0.00 -1.80 0.16 0.00 0.82 0.00 0.00 66.70 65.88 3nix h VAL 393 Cb 0.70 1.80 -0.12 0.00 -1.52 0.00 0.00 31.29 32.16 3nix h VAL 393 CO 0.04 0.30 0.10 0.50 0.02 0.00 0.00 177.57 178.52 3nix h LYS 394 N -1.00 0.18 -0.50 1.57 1.63 -0.03 -1.80 116.57 116.62 3nix h LYS 394 Ca -0.10 -0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 59.39 3nix h LYS 394 Cb 0.79 -0.04 -0.19 0.00 -0.60 0.00 0.00 32.23 32.19 3nix h LYS 394 CO -0.06 0.12 -0.09 1.63 -3.45 0.00 0.00 179.45 177.60 3nix n LYS 395 N -5.24 2.22 -0.35 1.90 5.02 0.25 -4.87 118.16 117.09 3nix n LYS 395 Ca 0.13 -3.37 0.05 0.00 -2.02 0.00 0.00 58.31 53.11 3nix n LYS 395 Cb 0.45 -1.95 0.21 0.00 -0.02 0.00 0.00 35.03 33.72 3nix n LYS 395 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3nix h HIS 396 N 1.30 1.11 -0.02 2.13 2.07 -1.26 -0.11 115.15 120.37 3nix h HIS 396 Ca 0.30 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 3nix h HIS 396 Cb 1.59 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3nix h HIS 396 CO 1.08 0.47 0.00 0.27 -3.07 0.00 0.00 177.93 176.68 3nix n ASN 397 N -4.61 0.25 0.00 3.10 0.23 -1.26 -3.96 115.26 109.00 3nix n ASN 397 Ca 0.17 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 3nix n ASN 397 Cb 0.31 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 3nix n ASN 397 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3nix n THR 398 N -0.38 0.00 0.16 5.53 -1.04 -0.50 -4.92 114.28 113.14 3nix n THR 398 Ca 0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3nix n THR 398 Cb 0.05 -0.10 0.39 0.00 -1.82 0.00 0.00 70.33 68.85 3nix n THR 398 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3nix h ILE 399 N 0.00 1.21 -0.13 12.58 2.10 -1.20 -2.59 117.51 129.48 3nix h ILE 399 Ca 0.00 -0.96 -0.03 0.00 1.08 0.00 0.00 64.86 64.95 3nix h ILE 399 Cb 0.12 1.42 -0.00 0.00 -1.09 0.00 0.00 36.82 37.27 3nix h ILE 399 CO 0.00 0.28 -0.05 -0.07 -1.08 0.00 0.00 178.15 177.24 3nix h LEU 400 N 0.11 0.26 -0.46 2.19 3.38 -1.84 0.29 115.31 119.25 3nix h LEU 400 Ca 0.02 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3nix h LEU 400 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3nix h LEU 400 CO 0.03 0.60 0.16 0.11 0.09 0.00 0.00 178.44 179.43 3nix h LYS 401 N -0.07 0.70 0.16 1.13 1.57 -1.91 0.13 116.57 118.27 3nix h LYS 401 Ca 0.03 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3nix h LYS 401 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3nix h LYS 401 CO 0.02 0.65 -0.07 1.15 -0.57 0.00 0.00 179.45 180.62 3nix h THR 402 N 0.60 0.90 -0.08 -0.16 2.02 -1.39 -1.24 112.91 113.55 3nix h THR 402 Ca 0.15 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3nix h THR 402 Cb 0.23 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3nix h THR 402 CO -0.01 0.05 0.05 -0.07 0.37 0.00 0.00 175.52 175.92 3nix h LEU 403 N -0.31 0.09 -0.79 2.58 3.38 -0.35 0.14 115.31 120.05 3nix h LEU 403 Ca -0.02 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3nix h LEU 403 Cb 0.25 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3nix h LEU 403 CO 0.03 0.07 0.45 0.00 0.09 0.00 0.00 178.44 179.09 3nix h ALA 404 N 1.03 1.12 -0.31 1.53 0.00 -0.72 0.48 119.26 122.38 3nix h ALA 404 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3nix h ALA 404 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3nix h ALA 404 CO -0.01 0.10 0.16 -0.22 0.00 0.00 0.00 179.25 179.28 3nix h LYS 405 N 0.78 0.44 -0.93 0.00 1.63 -0.91 -1.80 116.57 115.78 3nix h LYS 405 Ca 0.38 -0.06 0.15 0.00 -0.85 0.00 0.00 60.65 60.26 3nix h LYS 405 Cb 0.31 -0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.78 3nix h LYS 405 CO -0.23 0.39 0.59 0.28 -3.45 0.00 0.00 179.45 177.04 3nix h VAL 406 N 0.37 0.83 -0.26 2.00 2.07 0.54 -2.85 116.25 118.95 3nix h VAL 406 Ca 0.11 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3nix h VAL 406 Cb 0.09 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3nix h VAL 406 CO -0.02 0.14 -0.07 0.40 0.02 0.00 0.00 177.57 178.04 3nix h ILE 407 N 0.75 1.28 0.00 4.57 2.04 -0.16 -2.55 117.51 123.44 3nix h ILE 407 Ca 0.48 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3nix h ILE 407 Cb 0.72 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3nix h ILE 407 CO -0.24 0.34 0.00 1.67 0.00 0.00 0.00 178.15 179.92 3nix n GLN 408 N -4.54 0.07 0.00 2.37 0.00 -0.77 -1.91 117.38 112.60 3nix n GLN 408 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 3nix n GLN 408 Cb 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.13 3nix n GLN 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3nix n GLY 410 N 0.91 0.00 0.08 1.69 0.00 -0.96 -0.45 105.19 106.46 3nix n GLY 410 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3nix n GLY 410 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3nix h GLU 411 N 0.00 0.00 0.00 1.61 5.08 -1.68 -3.55 114.58 116.04 3nix h GLU 411 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3nix h GLU 411 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3nix h GLU 411 CO 0.00 0.94 0.00 0.39 -1.00 0.00 0.00 179.01 179.34