#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nix s GLU 4 N 0.00 3.02 -0.06 -0.14 -1.05 -0.94 -4.94 118.70 114.60 3nix s GLU 4 Ca 0.00 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 54.48 3nix s GLU 4 Cb 0.00 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 31.23 3nix s GLU 4 CO 0.00 -0.39 -0.10 0.15 0.95 0.00 0.00 175.26 175.87 3nix s LYS 5 N -4.68 1.37 0.23 -4.83 3.01 -1.26 -0.79 119.74 112.79 3nix s LYS 5 Ca 0.50 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.15 3nix s LYS 5 Cb -0.10 -1.19 -0.04 0.00 -1.01 0.00 0.00 37.83 35.49 3nix s LYS 5 CO 0.40 -0.00 0.12 0.14 0.51 0.00 0.00 175.35 176.52 3nix s VAL 6 N 0.71 0.23 -0.09 3.17 -7.23 -0.44 -4.98 120.40 111.78 3nix s VAL 6 Ca -0.13 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 57.95 3nix s VAL 6 Cb -0.15 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 3nix s VAL 6 CO 0.02 0.00 0.31 0.44 -0.31 0.00 0.00 175.10 175.56 3nix h ASP 7 N 2.51 -0.11 -3.31 4.85 3.32 -1.60 -3.17 116.42 118.91 3nix h ASP 7 Ca -0.37 -0.16 -0.66 0.00 0.02 0.00 0.00 57.03 55.86 3nix h ASP 7 Cb 1.25 0.03 -0.28 0.00 0.22 0.00 0.00 39.33 40.55 3nix h ASP 7 CO 0.56 0.45 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.07 3nix s VAL 8 N -2.17 2.99 -0.24 -1.35 1.01 -0.97 -1.28 120.40 118.39 3nix s VAL 8 Ca -0.05 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 3nix s VAL 8 Cb -0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3nix s VAL 8 CO 0.18 0.51 0.49 -0.22 0.00 0.00 0.00 175.10 176.06 3nix s LEU 9 N 0.66 4.09 -0.25 3.92 2.96 0.57 -2.41 118.68 128.21 3nix s LEU 9 Ca -0.06 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.28 3nix s LEU 9 Cb -0.15 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 3nix s LEU 9 CO 0.02 -0.22 0.15 -0.69 -1.32 0.00 0.00 176.35 174.29 3nix s VAL 10 N 2.00 5.15 -0.45 1.68 1.01 0.14 -1.15 120.40 128.77 3nix s VAL 10 Ca 0.21 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 3nix s VAL 10 Cb -0.15 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.84 3nix s VAL 10 CO 0.09 0.31 0.48 -0.63 0.00 0.00 0.00 175.10 175.35 3nix s ILE 11 N 1.39 5.05 0.00 2.22 1.01 -0.56 -1.75 121.20 128.56 3nix s ILE 11 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3nix s ILE 11 Cb -0.15 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3nix s ILE 11 CO 0.07 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.08 3nix n GLY 12 N 5.14 3.05 2.21 6.18 0.00 -0.90 -0.14 105.19 120.73 3nix n GLY 12 Ca -0.08 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 1.17 5.96 -1.23 4.61 0.00 -1.26 -3.81 120.51 125.94 3nix n ALA 13 Ca 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.06 3nix n ALA 13 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.95 -0.71 0.22 0.00 0.00 -1.26 -4.71 105.19 97.77 3nix n GLY 14 Ca 0.59 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.50 1.61 0.11 -1.93 -1.34 132.00 130.95 3nix h PRO 15 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3nix h PRO 15 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3nix h PRO 15 CO 0.00 0.25 -0.30 0.00 -0.21 0.00 0.00 178.00 177.74 3nix h ALA 16 N 1.75 -1.14 -0.68 -0.75 0.00 -1.88 -2.10 119.26 114.46 3nix h ALA 16 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3nix h ALA 16 Cb 0.51 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3nix h ALA 16 CO 0.03 -1.11 0.25 0.78 0.00 0.00 0.00 179.25 179.21 3nix h GLY 17 N -0.75 1.10 0.80 0.00 0.00 -1.63 -0.34 103.07 102.26 3nix h GLY 17 Ca -0.07 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 3nix h GLY 17 CO 0.07 0.56 -0.07 -0.91 0.00 0.00 0.00 176.54 176.19 3nix h THR 18 N 1.00 1.30 0.07 4.70 1.35 -1.33 0.76 112.91 120.74 3nix h THR 18 Ca 0.23 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3nix h THR 18 Cb 0.23 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3nix h THR 18 CO -0.02 0.33 -0.07 0.58 -0.25 0.00 0.00 175.52 176.09 3nix h VAL 19 N 0.11 0.84 -0.33 6.82 2.07 -1.32 -1.46 116.25 122.98 3nix h VAL 19 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3nix h VAL 19 Cb 0.53 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3nix h VAL 19 CO 0.02 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.40 3nix h ALA 20 N 0.77 -0.01 0.65 1.67 0.00 -0.96 -2.34 119.26 119.04 3nix h ALA 20 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3nix h ALA 20 Cb 0.15 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3nix h ALA 20 CO -0.03 -0.61 -0.37 0.00 0.00 0.00 0.00 179.25 178.24 3nix h ALA 21 N 0.99 -0.97 -0.81 0.00 0.00 0.71 -2.24 119.26 116.95 3nix h ALA 21 Ca 0.17 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.07 3nix h ALA 21 Cb 0.44 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 3nix h ALA 21 CO -0.44 -1.05 -0.03 1.03 0.00 0.00 0.00 179.25 178.76 3nix h SER 22 N -0.95 -0.44 -0.19 0.00 0.87 -1.15 0.15 113.55 111.83 3nix h SER 22 Ca -0.08 0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 3nix h SER 22 Cb 0.76 0.40 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 3nix h SER 22 CO 0.10 -0.22 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.01 3nix h LEU 23 N 0.07 0.54 -0.07 2.23 3.38 -1.02 0.63 115.31 121.05 3nix h LEU 23 Ca 0.44 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3nix h LEU 23 Cb 0.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3nix h LEU 23 CO -0.74 0.68 -0.17 0.58 0.09 0.00 0.00 178.44 178.88 3nix h VAL 24 N 0.52 1.41 -0.73 1.22 2.07 -0.46 -2.78 116.25 117.49 3nix h VAL 24 Ca 0.10 -1.49 0.14 0.00 0.82 0.00 0.00 66.70 66.27 3nix h VAL 24 Cb 0.48 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 3nix h VAL 24 CO 0.03 0.42 0.49 -1.13 0.02 0.00 0.00 177.57 177.40 3nix h ASN 25 N -0.24 0.38 1.02 0.57 -0.73 -0.54 -1.06 115.58 114.98 3nix h ASN 25 Ca 0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3nix h ASN 25 Cb 0.76 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.30 3nix h ASN 25 CO 0.04 0.20 0.00 0.50 -0.37 0.00 0.00 177.43 177.80 3nix h LYS 26 N 0.40 0.00 -0.63 6.67 3.64 -0.59 -2.15 116.57 123.92 3nix h LYS 26 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3nix h LYS 26 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3nix h LYS 26 CO -0.11 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.50 3nix n SER 27 N -2.97 3.64 0.00 4.20 7.64 -0.40 -4.95 113.62 120.77 3nix n SER 27 Ca 0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.90 3nix n SER 27 Cb 0.30 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.58 3.18 3.70 0.23 0.00 -0.81 -5.06 105.19 108.02 3nix n GLY 28 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.88 2.20 -0.25 1.61 0.40 -1.24 -4.99 117.98 112.83 3nix s PHE 29 Ca 0.00 1.20 -0.18 0.00 -0.60 0.00 0.00 56.93 57.35 3nix s PHE 29 Cb 0.00 -3.19 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 3nix s PHE 29 CO 0.00 -2.60 0.54 0.21 0.70 0.00 0.00 175.22 174.07 3nix s LYS 30 N -4.91 4.10 -0.03 0.44 2.20 -1.26 -4.46 119.74 115.81 3nix s LYS 30 Ca 0.64 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 3nix s LYS 30 Cb -0.19 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.50 3nix s LYS 30 CO 0.57 -0.33 -0.09 0.54 -0.36 0.00 0.00 175.35 175.68 3nix s VAL 31 N 2.23 0.83 -0.02 4.02 0.11 -1.26 -1.61 120.40 124.71 3nix s VAL 31 Ca 0.23 -0.37 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 3nix s VAL 31 Cb -0.16 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3nix s VAL 31 CO 0.09 0.27 -0.23 -0.75 -3.33 0.00 0.00 175.10 171.15 3nix s LYS 32 N 0.32 1.93 -0.16 1.54 2.20 -1.01 -3.02 119.74 121.54 3nix s LYS 32 Ca -0.05 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3nix s LYS 32 Cb -0.10 -1.82 -0.02 0.00 -1.51 0.00 0.00 37.83 34.38 3nix s LYS 32 CO 0.01 0.47 -0.09 0.42 -0.36 0.00 0.00 175.35 175.79 3nix s ILE 33 N -0.46 3.30 -0.34 5.43 1.01 -0.50 0.25 121.20 129.89 3nix s ILE 33 Ca 0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 3nix s ILE 33 Cb -0.10 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.96 3nix s ILE 33 CO -0.00 0.49 0.16 0.68 0.00 0.00 0.00 174.94 176.27 3nix s VAL 34 N 0.63 4.35 -0.20 2.92 -7.23 -0.72 -0.82 120.40 119.33 3nix s VAL 34 Ca -0.05 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.26 3nix s VAL 34 Cb -0.15 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 3nix s VAL 34 CO 0.03 -0.11 0.06 -0.70 -0.31 0.00 0.00 175.10 174.06 3nix s GLU 35 N 1.53 3.83 0.20 4.82 2.56 -0.42 -2.12 118.70 129.11 3nix s GLU 35 Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 54.97 54.55 3nix s GLU 35 Cb -0.18 -3.23 0.15 0.00 2.00 0.00 0.00 34.13 32.86 3nix s GLU 35 CO 0.05 0.10 1.56 -0.22 -0.56 0.00 0.00 175.26 176.19 3nix h LYS 36 N 7.27 0.63 -6.72 4.30 3.64 -1.79 -0.16 116.57 123.74 3nix h LYS 36 Ca -0.36 -0.33 -0.46 0.00 -1.27 0.00 0.00 60.65 58.23 3nix h LYS 36 Cb 1.17 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.04 3nix h LYS 36 CO 0.64 0.94 -0.08 -0.65 -2.27 0.00 0.00 179.45 178.03 3nix s GLN 37 N -4.23 3.00 -0.09 1.90 -0.21 -1.26 -3.18 119.66 115.59 3nix s GLN 37 Ca -0.08 -0.52 -0.22 0.00 0.02 0.00 0.00 55.36 54.56 3nix s GLN 37 Cb 0.12 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 3nix s GLN 37 CO 0.84 -0.33 0.67 0.21 -2.12 0.00 0.00 175.29 174.56 3nix s LYS 38 N -4.58 4.39 0.17 2.91 2.20 -1.26 -2.75 119.74 120.82 3nix s LYS 38 Ca 0.49 0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 56.75 3nix s LYS 38 Cb -0.10 -3.47 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 3nix s LYS 38 CO 0.38 0.02 0.58 -0.06 -0.36 0.00 0.00 175.35 175.92 3nix s PHE 39 N 0.97 3.60 0.56 4.03 0.40 -1.26 -3.84 117.98 122.44 3nix s PHE 39 Ca 0.35 1.11 -0.19 0.00 -0.60 0.00 0.00 56.93 57.60 3nix s PHE 39 Cb -0.17 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.90 3nix s PHE 39 CO 0.16 0.40 1.14 -1.25 0.70 0.00 0.00 175.22 176.37 3nix s PRO 40 N -2.02 3.24 -0.06 0.24 0.04 -1.26 -5.12 135.00 130.06 3nix s PRO 40 Ca 0.39 1.63 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 3nix s PRO 40 Cb -0.15 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3nix s PRO 40 CO 0.19 -0.95 0.16 -0.98 0.04 0.00 0.00 177.00 175.47 3nix s ARG 41 N -3.36 0.20 0.09 4.56 1.70 -1.25 -5.05 118.95 115.84 3nix s ARG 41 Ca 0.73 0.19 -0.29 0.00 -0.47 0.00 0.00 55.73 55.89 3nix s ARG 41 Cb -0.25 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.17 3nix s ARG 41 CO 0.29 -0.03 0.92 0.12 -1.08 0.00 0.00 175.30 175.52 3nix s PHE 42 N 0.01 3.78 0.04 5.89 5.36 -1.26 -3.37 117.98 128.43 3nix s PHE 42 Ca -0.01 1.72 -0.03 0.00 -0.96 0.00 0.00 56.93 57.65 3nix s PHE 42 Cb -0.01 -3.01 -0.02 0.00 -0.34 0.00 0.00 43.02 39.64 3nix s PHE 42 CO 0.00 0.20 0.04 0.54 -1.46 0.00 0.00 175.22 174.55 3nix s VAL 43 N 0.08 0.16 0.51 3.12 0.11 -1.26 -4.97 120.40 118.14 3nix s VAL 43 Ca 0.45 -1.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.14 3nix s VAL 43 Cb -0.22 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 3nix s VAL 43 CO 0.28 -0.71 0.84 -0.51 -3.33 0.00 0.00 175.10 171.67 3nix s ILE 44 N -2.91 4.85 0.00 7.04 1.10 -1.26 -4.37 121.20 125.65 3nix s ILE 44 Ca -0.02 0.39 0.00 0.00 -0.51 0.00 0.00 60.65 60.50 3nix s ILE 44 Cb 0.01 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.76 3nix s ILE 44 CO -0.06 -0.89 0.00 0.61 -2.11 0.00 0.00 174.94 172.48 3nix n GLY 45 N -2.30 0.76 0.00 1.50 0.00 -1.26 -5.03 105.19 98.86 3nix n GLY 45 Ca 0.02 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 4.36 -3.57 1.61 1.02 -1.26 -4.83 120.64 117.97 3nix n GLU 46 Ca 0.00 -0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 3nix n GLU 46 Cb 0.00 -0.78 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.62 5.74 0.89 1.62 0.15 -1.26 0.46 113.70 119.68 3nix s SER 47 Ca 0.01 -1.28 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 3nix s SER 47 Cb 0.03 -2.03 0.18 0.00 -1.71 0.00 0.00 66.02 62.49 3nix s SER 47 CO 0.15 -0.49 1.23 -0.76 1.20 0.00 0.00 173.24 174.57 3nix s LEU 48 N 1.50 2.78 0.10 3.45 1.02 -0.98 -4.71 118.68 121.85 3nix s LEU 48 Ca 0.03 0.10 0.10 0.00 0.02 0.00 0.00 54.13 54.38 3nix s LEU 48 Cb -0.22 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.72 3nix s LEU 48 CO 0.04 -2.48 -0.26 -0.76 0.02 0.00 0.00 176.35 172.92 3nix s LEU 49 N -5.68 2.33 0.29 1.79 1.43 -1.26 -4.81 118.68 112.78 3nix s LEU 49 Ca 0.72 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3nix s LEU 49 Cb -0.04 -1.28 0.75 0.00 0.03 0.00 0.00 46.19 45.64 3nix s LEU 49 CO 0.51 0.20 1.68 -0.65 0.23 0.00 0.00 176.35 178.32 3nix h PRO 50 N 4.12 0.32 -1.11 1.29 0.11 -1.77 0.89 132.00 135.86 3nix h PRO 50 Ca -0.50 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 65.91 3nix h PRO 50 Cb 1.16 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3nix h PRO 50 CO 0.41 0.21 0.77 -0.09 -0.21 0.00 0.00 178.00 179.09 3nix h ARG 51 N 0.33 0.16 -3.06 1.05 9.65 -1.51 -3.36 114.38 117.64 3nix h ARG 51 Ca 0.57 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 59.27 3nix h ARG 51 Cb 1.13 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 3nix h ARG 51 CO -0.57 0.11 1.09 0.00 2.80 0.00 0.00 179.97 183.39 3nix n GLU 54 N 3.56 0.00 0.07 0.00 1.02 -1.26 -0.83 120.64 123.21 3nix n GLU 54 Ca 0.24 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.20 3nix n GLU 54 Cb 0.24 -0.14 -0.14 0.00 -0.02 0.00 0.00 31.44 31.38 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 0.55 -0.25 -0.32 3.86 -1.94 -1.09 115.15 115.96 3nix h HIS 55 Ca 0.00 -0.40 0.05 0.00 -1.16 0.00 0.00 60.37 58.86 3nix h HIS 55 Cb 0.00 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 3nix h HIS 55 CO 0.00 1.45 -0.08 -0.07 0.86 0.00 0.00 177.93 180.09 3nix h LEU 56 N 0.08 -0.28 0.57 2.43 4.07 -1.34 0.06 115.31 120.90 3nix h LEU 56 Ca -0.26 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 3nix h LEU 56 Cb 2.04 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.94 3nix h LEU 56 CO 0.18 -0.10 -0.42 -0.78 -1.08 0.00 0.00 178.44 176.23 3nix h ASP 57 N -0.03 -1.09 -0.76 -0.43 3.58 -1.80 -0.87 116.42 115.02 3nix h ASP 57 Ca 0.12 0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.77 3nix h ASP 57 Cb 0.21 0.34 -0.09 0.00 1.72 0.00 0.00 39.33 41.52 3nix h ASP 57 CO -0.27 -0.62 0.36 -0.08 -2.88 0.00 0.00 179.24 175.75 3nix h GLU 58 N -0.96 0.54 -0.00 0.28 4.81 -0.87 -0.42 114.58 117.95 3nix h GLU 58 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3nix h GLU 58 Cb 0.80 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3nix h GLU 58 CO 0.02 0.35 -0.00 0.00 -0.73 0.00 0.00 179.01 178.65 3nix n ALA 59 N -2.45 2.66 -3.15 2.92 0.00 -0.02 -4.93 120.51 115.53 3nix n ALA 59 Ca 0.14 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 3nix n ALA 59 Cb 0.37 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 1.06 0.04 0.00 0.00 0.00 -0.17 -4.93 105.19 101.19 3nix n GLY 60 Ca 0.22 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.97 0.00 0.02 1.61 3.72 -0.38 -4.67 117.46 113.79 3nix n PHE 61 Ca -0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 3nix n PHE 61 Cb 0.54 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 3nix n PHE 61 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3nix h LEU 62 N 0.00 -0.39 -0.33 4.37 3.38 -1.86 0.13 115.31 120.61 3nix h LEU 62 Ca 0.00 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3nix h LEU 62 Cb 0.46 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3nix h LEU 62 CO 0.00 -0.18 -0.04 0.44 0.09 0.00 0.00 178.44 178.75 3nix h ASP 63 N -0.18 -0.22 -0.37 -0.43 3.32 -1.93 0.88 116.42 117.49 3nix h ASP 63 Ca 0.07 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3nix h ASP 63 Cb 0.28 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 3nix h ASP 63 CO -0.18 -0.07 0.08 0.00 -1.72 0.00 0.00 179.24 177.34 3nix h ALA 64 N 1.31 0.40 -0.04 3.45 0.00 -1.53 -1.22 119.26 121.62 3nix h ALA 64 Ca 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3nix h ALA 64 Cb 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3nix h ALA 64 CO -0.31 -0.33 0.01 0.28 0.00 0.00 0.00 179.25 178.90 3nix h VAL 65 N 0.20 1.21 -0.96 0.00 2.07 -0.38 -3.00 116.25 115.39 3nix h VAL 65 Ca 0.18 -0.63 0.16 0.00 0.82 0.00 0.00 66.70 67.23 3nix h VAL 65 Cb 0.20 1.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 3nix h VAL 65 CO -0.23 0.17 0.61 0.11 0.02 0.00 0.00 177.57 178.25 3nix h LYS 66 N -0.17 0.73 -0.03 1.57 1.57 -0.49 0.19 116.57 119.94 3nix h LYS 66 Ca 0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3nix h LYS 66 Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3nix h LYS 66 CO 0.00 0.48 0.07 0.00 -0.57 0.00 0.00 179.45 179.44 3nix h ALA 67 N 1.60 1.30 0.00 3.86 0.00 -1.08 -2.22 119.26 122.73 3nix h ALA 67 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3nix h ALA 67 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3nix h ALA 67 CO -0.28 -0.09 -0.27 1.04 0.00 0.00 0.00 179.25 179.65 3nix n GLN 68 N -3.36 0.27 -3.65 0.00 1.13 0.05 -4.97 117.38 106.86 3nix n GLN 68 Ca -0.02 0.16 -0.23 0.00 -1.94 0.00 0.00 57.00 54.96 3nix n GLN 68 Cb 0.15 -1.75 0.06 0.00 0.11 0.00 0.00 30.24 28.81 3nix n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3nix n GLY 69 N 1.32 -0.44 3.74 1.08 0.00 -0.84 -5.00 105.19 105.06 3nix n GLY 69 Ca 0.05 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.40 2.26 0.04 1.61 0.08 -1.26 -4.76 117.98 112.55 3nix s PHE 70 Ca 0.35 1.57 -0.35 0.00 0.12 0.00 0.00 56.93 58.61 3nix s PHE 70 Cb -0.16 -3.40 -0.14 0.00 -0.57 0.00 0.00 43.02 38.74 3nix s PHE 70 CO 0.77 -2.31 1.59 0.94 -0.10 0.00 0.00 175.22 176.11 3nix n GLN 71 N -2.39 1.77 -2.32 0.44 -0.06 -1.25 -4.85 117.38 108.72 3nix n GLN 71 Ca 0.13 0.64 -0.40 0.00 -2.00 0.00 0.00 57.00 55.37 3nix n GLN 71 Cb 0.50 -2.38 -0.03 0.00 -4.06 0.00 0.00 30.24 24.27 3nix n GLN 71 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3nix s GLN 72 N 1.70 4.40 -0.17 3.69 -0.21 -1.26 -1.64 119.66 126.17 3nix s GLN 72 Ca 0.85 1.94 -0.02 0.00 0.02 0.00 0.00 55.36 58.15 3nix s GLN 72 Cb -0.80 -3.02 -0.01 0.00 1.00 0.00 0.00 33.01 30.18 3nix s GLN 72 CO 0.46 -0.05 -0.08 0.21 -2.12 0.00 0.00 175.29 173.71 3nix s LYS 73 N -1.78 3.43 0.00 2.91 2.20 0.11 -4.49 119.74 122.11 3nix s LYS 73 Ca 0.49 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 3nix s LYS 73 Cb -0.34 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3nix s LYS 73 CO 0.44 0.05 0.73 1.19 -0.36 0.00 0.00 175.35 177.41 3nix n PHE 74 N 4.03 0.02 -1.73 4.03 3.72 0.02 -1.54 117.46 126.01 3nix n PHE 74 Ca -0.18 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3nix n PHE 74 Cb 0.52 -0.02 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 -0.11 -1.56 2.92 1.37 0.00 -1.15 -1.88 105.19 104.78 3nix n GLY 75 Ca 0.01 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.49 1.03 -0.17 4.61 0.00 -0.79 -2.05 121.76 122.89 3nix s ALA 76 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 3nix s ALA 76 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3nix s ALA 76 CO 0.00 -0.12 0.01 0.21 0.00 0.00 0.00 175.76 175.85 3nix s LYS 77 N 1.15 3.79 -0.14 0.00 2.20 0.15 -0.77 119.74 126.12 3nix s LYS 77 Ca -0.06 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 3nix s LYS 77 Cb -0.14 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3nix s LYS 77 CO -0.01 0.23 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.06 3nix s PHE 78 N 0.43 2.92 -0.12 4.03 0.08 0.04 -1.20 117.98 124.16 3nix s PHE 78 Ca -0.01 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.62 3nix s PHE 78 Cb -0.13 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 3nix s PHE 78 CO 0.02 -0.08 -0.13 0.08 -0.10 0.00 0.00 175.22 175.00 3nix s VAL 79 N 0.25 1.42 -0.16 -0.44 1.01 -0.61 -1.13 120.40 120.75 3nix s VAL 79 Ca -0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3nix s VAL 79 Cb -0.15 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.95 3nix s VAL 79 CO 0.04 0.43 0.04 -0.60 0.00 0.00 0.00 175.10 175.01 3nix s ARG 80 N 1.31 0.45 4.52 2.72 3.52 -0.64 0.23 118.95 131.06 3nix s ARG 80 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3nix s ARG 80 Cb -0.14 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 3nix s ARG 80 CO -0.06 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.27 3nix n GLY 81 N 5.14 3.40 0.79 8.12 0.00 -1.26 -0.46 105.19 120.92 3nix n GLY 81 Ca -0.08 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 13.98 1.98 -2.37 1.61 4.76 -1.26 -4.91 118.16 131.94 3nix n LYS 82 Ca 0.00 -1.59 -0.42 0.00 -2.87 0.00 0.00 58.31 53.42 3nix n LYS 82 Cb 0.00 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 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 -2.12 4.30 -0.09 1.97 2.02 0.39 -5.03 118.70 120.14 3nix s GLU 83 Ca 0.27 1.77 0.04 0.00 0.02 0.00 0.00 54.97 57.07 3nix s GLU 83 Cb 0.20 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 3nix s GLU 83 CO 0.37 -0.55 -0.20 0.42 0.02 0.00 0.00 175.26 175.31 3nix s ILE 84 N 2.61 2.42 -0.36 -1.63 1.01 -1.26 -1.62 121.20 122.38 3nix s ILE 84 Ca 0.59 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3nix s ILE 84 Cb -0.26 -1.94 0.11 0.00 0.01 0.00 0.00 42.46 40.38 3nix s ILE 84 CO 0.22 0.56 0.11 0.00 0.00 0.00 0.00 174.94 175.83 3nix s ALA 85 N 0.06 2.35 -0.33 9.38 0.00 -0.29 -4.99 121.76 127.94 3nix s ALA 85 Ca -0.08 -2.31 -0.15 0.00 0.00 0.00 0.00 51.96 49.41 3nix s ALA 85 Cb -0.15 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 3nix s ALA 85 CO 0.05 -1.76 0.38 0.34 0.00 0.00 0.00 175.76 174.77 3nix s ASP 86 N 0.97 6.21 -0.26 0.00 2.15 -1.26 -0.78 116.67 123.70 3nix s ASP 86 Ca 0.12 -0.10 -0.16 0.00 0.43 0.00 0.00 52.55 52.84 3nix s ASP 86 Cb -0.20 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 3nix s ASP 86 CO -0.12 -0.32 0.44 -0.36 -0.17 0.00 0.00 175.17 174.63 3nix s PHE 87 N 2.07 3.27 -0.35 -5.34 0.40 0.05 -4.99 117.98 113.09 3nix s PHE 87 Ca 0.13 0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 56.88 3nix s PHE 87 Cb -0.16 -2.63 0.01 0.00 0.51 0.00 0.00 43.02 40.75 3nix s PHE 87 CO 0.12 -0.22 0.21 1.21 0.70 0.00 0.00 175.22 177.23 3nix s ASN 88 N 1.52 5.77 0.41 1.36 3.84 -1.26 -1.89 114.94 124.69 3nix s ASN 88 Ca 0.18 -0.71 0.28 0.00 0.21 0.00 0.00 52.86 52.83 3nix s ASN 88 Cb -0.16 -2.05 1.46 0.00 -0.55 0.00 0.00 41.25 39.95 3nix s ASN 88 CO 0.09 -0.30 1.87 -0.26 -2.79 0.00 0.00 177.10 175.71 3nix h PHE 89 N 8.44 0.00 0.00 0.43 0.04 -1.61 0.27 116.94 124.51 3nix h PHE 89 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 3nix h PHE 89 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 3nix h PHE 89 CO 0.61 0.00 0.00 0.77 -0.60 0.00 0.00 178.31 179.09 3nix h SER 90 N 0.00 0.00 -3.99 2.17 0.02 -1.78 -3.36 113.55 106.61 3nix h SER 90 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3nix h SER 90 Cb 0.09 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.25 3nix h SER 90 CO 0.00 0.00 -0.48 -0.62 -1.14 0.00 0.00 176.83 174.59 3nix s ASP 91 N -4.80 4.87 0.13 3.07 2.15 0.95 -5.08 116.67 117.97 3nix s ASP 91 Ca 0.04 -3.19 -0.04 0.00 0.43 0.00 0.00 52.55 49.79 3nix s ASP 91 Cb 0.09 -1.74 -0.03 0.00 -0.30 0.00 0.00 42.92 40.95 3nix s ASP 91 CO 0.48 -0.24 0.12 0.00 -0.17 0.00 0.00 175.17 175.36 3nix s GLN 92 N -0.55 0.95 0.04 4.34 -2.07 -1.26 -4.60 119.66 116.51 3nix s GLN 92 Ca 0.19 -1.31 -0.19 0.00 -1.82 0.00 0.00 55.36 52.24 3nix s GLN 92 Cb -0.19 0.28 -0.17 0.00 -1.09 0.00 0.00 33.01 31.85 3nix s GLN 92 CO -0.05 -0.29 1.25 0.35 -1.32 0.00 0.00 175.29 175.23 3nix h PHE 93 N 2.79 0.59 -3.09 9.60 3.57 -1.77 -3.46 116.94 125.18 3nix h PHE 93 Ca -0.34 -0.24 -0.48 0.00 3.53 0.00 0.00 57.97 60.44 3nix h PHE 93 Cb 1.20 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 39.86 3nix h PHE 93 CO 0.43 0.98 -0.07 -1.12 -2.23 0.00 0.00 178.31 176.30 3nix s SER 94 N -6.48 6.24 0.55 0.41 0.01 -1.26 -5.09 113.70 108.07 3nix s SER 94 Ca -0.13 0.62 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 3nix s SER 94 Cb 0.05 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.24 3nix s SER 94 CO 0.80 -0.44 0.80 0.20 0.41 0.00 0.00 173.24 175.01 3nix s ASN 95 N -4.08 5.46 0.00 2.44 0.01 -1.26 -4.99 114.94 112.51 3nix s ASN 95 Ca 0.43 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.89 3nix s ASN 95 Cb -0.10 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.26 3nix s ASN 95 CO 0.40 -1.05 0.00 0.61 -1.51 0.00 0.00 177.10 175.55 3nix n GLY 96 N -2.39 0.79 3.77 0.66 0.00 -1.26 -5.09 105.19 101.67 3nix n GLY 96 Ca 0.05 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3nix n GLY 96 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nix s TRP 97 N -0.93 2.92 -0.49 1.61 0.52 -1.26 -4.95 118.94 116.36 3nix s TRP 97 Ca 0.00 1.32 0.11 0.00 0.02 0.00 0.00 56.10 57.56 3nix s TRP 97 Cb 0.00 -3.78 -0.13 0.00 -1.15 0.00 0.00 33.47 28.41 3nix s TRP 97 CO 0.00 -2.22 0.47 0.27 0.02 0.00 0.00 176.95 175.49 3nix n ASN 98 N 0.83 0.72 -4.40 2.95 2.04 -1.26 -4.76 115.26 111.38 3nix n ASN 98 Ca 0.01 -0.69 -0.20 0.00 -0.44 0.00 0.00 54.58 53.26 3nix n ASN 98 Cb 0.41 1.06 -0.10 0.00 -2.53 0.00 0.00 39.78 38.61 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 -2.17 1.81 0.00 -2.53 1.48 -1.26 -4.38 118.94 111.89 3nix s TRP 99 Ca 0.03 -1.04 0.00 0.00 -1.06 0.00 0.00 56.10 54.04 3nix s TRP 99 Cb 0.09 -1.14 0.00 0.00 -1.16 0.00 0.00 33.47 31.26 3nix s TRP 99 CO 0.48 -0.12 0.00 -2.37 -4.06 0.00 0.00 176.95 170.88 3nix n THR 100 N -0.60 0.00 -4.35 0.66 5.66 -0.59 -4.44 114.28 110.62 3nix n THR 100 Ca -0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 3nix n THR 100 Cb 0.66 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.33 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 -1.56 1.94 -0.29 1.09 0.51 -1.26 0.05 118.94 119.41 3nix s TRP 101 Ca 0.00 -0.43 -0.16 0.00 -2.12 0.00 0.00 56.10 53.39 3nix s TRP 101 Cb 0.00 -0.99 -0.03 0.00 -0.81 0.00 0.00 33.47 31.65 3nix s TRP 101 CO 0.00 0.34 0.42 -0.65 -0.51 0.00 0.00 176.95 176.56 3nix s GLN 102 N -2.55 3.88 -0.05 4.98 -1.52 -0.65 -2.33 119.66 121.42 3nix s GLN 102 Ca 0.15 -0.02 0.03 0.00 -1.95 0.00 0.00 55.36 53.57 3nix s GLN 102 Cb -0.07 -3.71 0.01 0.00 -0.22 0.00 0.00 33.01 29.02 3nix s GLN 102 CO 0.07 -0.40 -0.12 0.14 -0.25 0.00 0.00 175.29 174.73 3nix s VAL 103 N 2.17 1.04 -0.03 1.09 -7.23 0.17 -3.76 120.40 113.85 3nix s VAL 103 Ca 0.16 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 3nix s VAL 103 Cb -0.16 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.77 3nix s VAL 103 CO 0.11 0.33 1.79 -2.84 -0.31 0.00 0.00 175.10 174.17 3nix s PRO 104 N 0.47 4.11 0.46 4.82 0.02 -1.26 -4.47 135.00 139.15 3nix s PRO 104 Ca -0.10 2.31 0.18 0.00 0.02 0.00 0.00 61.00 63.42 3nix s PRO 104 Cb -0.13 -4.07 1.10 0.00 0.02 0.00 0.00 34.50 31.42 3nix s PRO 104 CO 0.02 -0.95 1.99 0.00 -0.33 0.00 0.00 177.00 177.73 3nix h ARG 105 N 10.17 0.00 -0.10 5.54 2.47 -1.88 -2.03 114.38 128.55 3nix h ARG 105 Ca -0.43 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.29 3nix h ARG 105 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3nix h ARG 105 CO 0.95 0.19 0.06 0.78 0.56 0.00 0.00 179.97 182.51 3nix h GLY 106 N 0.73 0.15 1.72 0.04 0.00 -1.83 0.13 103.07 104.00 3nix h GLY 106 Ca -0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 3nix h GLY 106 CO 0.03 0.06 -0.75 3.43 0.00 0.00 0.00 176.54 179.30 3nix h ASN 107 N 0.09 0.33 0.13 0.19 2.35 -1.80 -2.69 115.58 114.18 3nix h ASN 107 Ca 0.04 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3nix h ASN 107 Cb 0.05 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3nix h ASN 107 CO -0.01 0.97 -0.06 0.15 -1.65 0.00 0.00 177.43 176.83 3nix h PHE 108 N 0.18 -0.16 -0.67 1.19 3.57 -1.07 -1.07 116.94 118.91 3nix h PHE 108 Ca -0.03 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 3nix h PHE 108 Cb 1.33 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 3nix h PHE 108 CO 0.03 0.16 0.17 -0.44 -2.23 0.00 0.00 178.31 176.00 3nix h ASP 109 N -0.49 1.00 -0.70 0.41 5.19 -0.83 -1.47 116.42 119.54 3nix h ASP 109 Ca -0.02 -0.20 0.02 0.00 -0.62 0.00 0.00 57.03 56.21 3nix h ASP 109 Cb 0.39 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.60 3nix h ASP 109 CO 0.03 0.96 0.45 0.50 -3.12 0.00 0.00 179.24 178.05 3nix h LYS 110 N 1.01 0.87 -0.83 3.56 3.64 -1.47 0.68 116.57 124.03 3nix h LYS 110 Ca 0.21 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3nix h LYS 110 Cb 0.35 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3nix h LYS 110 CO -0.00 0.58 0.52 1.15 -2.27 0.00 0.00 179.45 179.43 3nix h THR 111 N 0.90 1.08 -0.02 1.00 2.02 -0.19 0.61 112.91 118.32 3nix h THR 111 Ca 0.27 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3nix h THR 111 Cb -0.05 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3nix h THR 111 CO -0.08 0.18 -0.05 -0.07 0.37 0.00 0.00 175.52 175.87 3nix h LEU 112 N 0.99 0.08 -0.66 2.58 4.07 -0.59 -1.96 115.31 119.82 3nix h LEU 112 Ca 0.35 -0.57 0.04 0.00 0.08 0.00 0.00 57.88 57.77 3nix h LEU 112 Cb 0.09 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 3nix h LEU 112 CO -0.14 0.64 0.40 0.00 -1.08 0.00 0.00 178.44 178.25 3nix h ALA 113 N 0.45 0.87 -0.08 1.53 0.00 -0.75 0.68 119.26 121.95 3nix h ALA 113 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3nix h ALA 113 Cb 0.62 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3nix h ALA 113 CO 0.01 0.13 -0.07 -0.44 0.00 0.00 0.00 179.25 178.89 3nix h ASP 114 N 0.77 -0.21 -0.81 0.00 3.32 -0.83 0.26 116.42 118.92 3nix h ASP 114 Ca 0.27 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.41 3nix h ASP 114 Cb 0.06 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3nix h ASP 114 CO -0.13 -0.09 0.50 -0.08 -1.72 0.00 0.00 179.24 177.72 3nix h GLU 115 N -0.08 0.92 -0.52 3.56 4.57 -1.06 -1.12 114.58 120.85 3nix h GLU 115 Ca 0.06 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3nix h GLU 115 Cb 0.16 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 3nix h GLU 115 CO -0.13 0.61 0.32 0.00 -1.18 0.00 0.00 179.01 178.63 3nix h ALA 116 N 1.36 0.66 -0.18 2.92 0.00 0.89 0.12 119.26 125.03 3nix h ALA 116 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3nix h ALA 116 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3nix h ALA 116 CO -0.14 0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.35 3nix h ALA 117 N 1.17 0.23 -0.99 0.00 0.00 -0.27 0.12 119.26 119.50 3nix h ALA 117 Ca 0.19 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.20 3nix h ALA 117 Cb -0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 3nix h ALA 117 CO -0.04 -0.30 0.63 -0.09 0.00 0.00 0.00 179.25 179.45 3nix h ARG 118 N 0.23 0.99 0.00 0.00 2.43 -0.55 0.34 114.38 117.82 3nix h ARG 118 Ca 0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3nix h ARG 118 Cb -0.02 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3nix h ARG 118 CO -0.02 0.65 0.00 1.04 -1.51 0.00 0.00 179.97 180.13 3nix n GLN 119 N -4.58 0.01 0.00 0.20 6.02 -0.03 -4.85 117.38 114.15 3nix n GLN 119 Ca 0.18 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 3nix n GLN 119 Cb 0.32 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3nix n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nix n GLY 120 N 0.47 1.63 3.76 1.08 0.00 0.10 -5.00 105.19 107.23 3nix n GLY 120 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3nix n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3nix n VAL 121 N 0.00 2.32 -3.69 1.61 0.31 0.00 -4.94 118.33 113.94 3nix n VAL 121 Ca 0.00 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.45 3nix n VAL 121 Cb 0.00 -1.88 -0.12 0.00 -0.91 0.00 0.00 33.84 30.93 3nix n VAL 121 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3nix s ASP 122 N -0.29 5.40 -0.17 4.52 1.47 -1.17 -3.84 116.67 122.60 3nix s ASP 122 Ca 0.57 -0.41 -0.06 0.00 1.18 0.00 0.00 52.55 53.82 3nix s ASP 122 Cb -0.47 -1.97 -0.04 0.00 -0.34 0.00 0.00 42.92 40.10 3nix s ASP 122 CO 0.61 -0.13 0.04 -0.69 0.68 0.00 0.00 175.17 175.68 3nix s VAL 123 N 1.61 4.58 -0.12 2.11 1.01 -1.26 -1.41 120.40 126.92 3nix s VAL 123 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3nix s VAL 123 Cb -0.16 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3nix s VAL 123 CO 0.05 0.47 -0.21 -0.70 0.00 0.00 0.00 175.10 174.72 3nix s GLU 124 N 0.31 2.84 0.50 2.72 2.12 -0.00 -4.97 118.70 122.22 3nix s GLU 124 Ca 0.02 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.63 3nix s GLU 124 Cb -0.13 -2.28 0.05 0.00 0.26 0.00 0.00 34.13 32.03 3nix s GLU 124 CO 0.01 0.02 0.69 0.71 -0.54 0.00 0.00 175.26 176.14 3nix s TYR 125 N 0.75 2.26 -1.61 5.30 2.02 -1.26 -1.30 117.35 123.51 3nix s TYR 125 Ca -0.10 -0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 56.01 3nix s TYR 125 Cb -0.16 -2.38 0.10 0.00 -0.40 0.00 0.00 41.96 39.12 3nix s TYR 125 CO 0.00 -0.78 0.64 0.39 -1.57 0.00 0.00 175.55 174.23 3nix n GLU 126 N -2.08 -3.13 -3.68 -0.62 1.02 -0.35 -4.86 120.64 106.93 3nix n GLU 126 Ca 0.11 0.37 -0.26 0.00 -0.02 0.00 0.00 57.16 57.36 3nix n GLU 126 Cb 0.60 -4.86 -0.17 0.00 -0.02 0.00 0.00 31.44 26.99 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 -3.54 0.21 -0.19 2.62 1.01 -0.22 -3.23 120.40 117.06 3nix s VAL 127 Ca 0.49 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3nix s VAL 127 Cb -0.27 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3nix s VAL 127 CO 0.92 -0.15 0.00 -0.83 0.00 0.00 0.00 175.10 175.04 3nix s GLY 128 N 2.01 1.74 0.48 4.51 0.00 -0.05 -2.49 107.32 113.51 3nix s GLY 128 Ca 0.01 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 43.55 3nix s GLY 128 CO -0.08 0.17 1.39 -0.62 0.00 0.00 0.00 173.10 173.96 3nix n VAL 129 N 4.06 3.06 0.00 1.40 0.31 -1.26 -1.07 118.33 124.82 3nix n VAL 129 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 3nix n VAL 129 Cb 0.52 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 -0.45 0.00 -3.64 2.52 5.66 0.73 -4.87 114.28 114.23 3nix n THR 130 Ca 0.07 -0.05 -0.06 0.00 -3.05 0.00 0.00 64.05 60.96 3nix n THR 130 Cb 0.42 0.39 -0.07 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.74 -0.23 -0.03 1.09 2.15 -1.22 -5.00 116.67 112.69 3nix s ASP 131 Ca 0.00 0.42 0.03 0.00 0.43 0.00 0.00 52.55 53.43 3nix s ASP 131 Cb 0.00 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 3nix s ASP 131 CO 0.00 -0.10 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.15 3nix s ILE 132 N -0.08 1.01 -0.14 4.11 1.01 -1.26 -0.51 121.20 125.34 3nix s ILE 132 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3nix s ILE 132 Cb -0.04 -0.88 0.04 0.00 0.01 0.00 0.00 42.46 41.58 3nix s ILE 132 CO -0.10 0.30 -0.05 -0.54 0.00 0.00 0.00 174.94 174.55 3nix s LYS 133 N 0.11 1.36 -0.13 2.79 3.01 0.10 -4.99 119.74 121.99 3nix s LYS 133 Ca -0.03 -0.39 -0.11 0.00 -1.01 0.00 0.00 55.97 54.44 3nix s LYS 133 Cb -0.09 -1.81 -0.05 0.00 -1.01 0.00 0.00 37.83 34.87 3nix s LYS 133 CO 0.01 -0.38 0.22 -0.06 0.51 0.00 0.00 175.35 175.65 3nix s PHE 134 N 1.69 3.54 -0.32 3.18 0.08 -1.26 -0.51 117.98 124.38 3nix s PHE 134 Ca 0.02 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.66 3nix s PHE 134 Cb -0.14 -2.15 0.10 0.00 -0.57 0.00 0.00 43.02 40.26 3nix s PHE 134 CO -0.08 0.49 0.09 0.12 -0.10 0.00 0.00 175.22 175.75 3nix s PHE 135 N -0.34 2.20 0.00 0.36 5.36 -0.72 -5.01 117.98 119.83 3nix s PHE 135 Ca 0.15 -2.05 0.00 0.00 -0.96 0.00 0.00 56.93 54.07 3nix s PHE 135 Cb -0.13 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 3nix s PHE 135 CO 0.04 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.32 3nix n GLY 136 N 4.67 3.50 0.05 13.12 0.00 -1.26 -2.60 105.19 122.68 3nix n GLY 136 Ca -0.00 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3nix n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nix n THR 137 N 0.00 0.29 -1.72 2.61 -2.24 -1.26 -4.48 114.28 107.48 3nix n THR 137 Ca 0.00 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 3nix n THR 137 Cb 0.00 0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.28 3nix n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3nix s ASP 138 N -4.25 5.56 0.04 3.42 1.01 -1.07 -4.06 116.67 117.32 3nix s ASP 138 Ca 0.04 1.44 -0.05 0.00 0.71 0.00 0.00 52.55 54.69 3nix s ASP 138 Cb 0.13 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 3nix s ASP 138 CO 0.78 -1.31 0.07 -0.94 0.21 0.00 0.00 175.17 173.98 3nix s SER 139 N -4.02 0.21 -0.19 0.27 1.04 0.22 -1.76 113.70 109.47 3nix s SER 139 Ca 0.57 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3nix s SER 139 Cb -0.13 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3nix s SER 139 CO 0.54 -0.49 -0.17 -0.69 0.98 0.00 0.00 173.24 173.41 3nix s VAL 140 N -2.60 2.34 -0.07 5.02 1.01 0.33 -0.91 120.40 125.52 3nix s VAL 140 Ca -0.05 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3nix s VAL 140 Cb -0.01 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3nix s VAL 140 CO -0.05 0.51 -0.14 -0.89 0.00 0.00 0.00 175.10 174.53 3nix s THR 141 N 1.33 3.03 -0.23 3.92 2.01 0.27 -0.72 115.64 125.25 3nix s THR 141 Ca 0.05 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 3nix s THR 141 Cb -0.13 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3nix s THR 141 CO -0.11 0.57 0.04 -0.89 -0.69 0.00 0.00 174.62 173.54 3nix s THR 142 N -0.45 4.13 0.27 -0.82 2.01 0.33 0.13 115.64 121.24 3nix s THR 142 Ca 0.06 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3nix s THR 142 Cb -0.12 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3nix s THR 142 CO 0.02 0.38 0.32 0.27 -0.69 0.00 0.00 174.62 174.92 3nix s ILE 143 N 1.35 4.64 -0.04 1.82 -4.36 0.45 -0.19 121.20 124.87 3nix s ILE 143 Ca 0.05 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 3nix s ILE 143 Cb -0.15 -3.58 0.01 0.00 1.25 0.00 0.00 42.46 39.99 3nix s ILE 143 CO 0.02 -0.29 -0.10 -0.70 0.24 0.00 0.00 174.94 174.11 3nix s GLU 144 N -3.97 1.20 0.58 0.37 2.12 -0.24 -1.78 118.70 116.99 3nix s GLU 144 Ca 0.36 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.41 3nix s GLU 144 Cb -0.08 -1.08 0.11 0.00 0.26 0.00 0.00 34.13 33.33 3nix s GLU 144 CO 0.28 0.07 0.79 -0.40 -0.54 0.00 0.00 175.26 175.46 3nix n ASP 145 N 3.56 1.58 -0.34 -1.70 5.68 -0.67 -0.88 116.55 123.77 3nix n ASP 145 Ca -0.21 -2.21 0.18 0.00 -0.50 0.00 0.00 54.79 52.05 3nix n ASP 145 Cb 0.53 -0.47 0.40 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.21 0.53 0.08 2.12 2.04 -1.89 -1.72 117.51 118.45 3nix h ILE 146 Ca -0.26 -0.19 -0.25 0.00 1.00 0.00 0.00 64.86 65.15 3nix h ILE 146 Cb 1.10 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3nix h ILE 146 CO 0.33 0.10 -1.19 0.78 0.00 0.00 0.00 178.15 178.17 3nix h ASN 147 N 0.56 0.25 0.00 1.72 2.35 -1.93 -3.47 115.58 115.05 3nix h ASN 147 Ca 0.64 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3nix h ASN 147 Cb 1.27 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3nix h ASN 147 CO -0.46 1.22 0.00 0.61 -1.65 0.00 0.00 177.43 177.16 3nix n GLY 148 N 1.48 0.86 3.77 2.83 0.00 -0.65 -5.11 105.19 108.37 3nix n GLY 148 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.21 7.09 0.12 1.61 -0.87 -1.26 -4.74 114.94 116.68 3nix s ASN 149 Ca 0.00 2.04 0.07 0.00 -1.57 0.00 0.00 52.86 53.39 3nix s ASN 149 Cb 0.00 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 3nix s ASN 149 CO 0.00 -0.25 -0.06 -0.54 -2.57 0.00 0.00 177.10 173.68 3nix s LYS 150 N -2.03 2.28 0.09 -0.60 1.02 -1.26 -1.67 119.74 117.56 3nix s LYS 150 Ca 0.51 -1.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.24 3nix s LYS 150 Cb -0.24 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 34.79 3nix s LYS 150 CO 0.30 0.50 0.73 -0.98 -0.92 0.00 0.00 175.35 174.98 3nix s ARG 151 N -2.42 1.09 0.11 1.68 1.70 -0.73 -5.00 118.95 115.37 3nix s ARG 151 Ca 0.24 -0.41 0.07 0.00 -0.47 0.00 0.00 55.73 55.16 3nix s ARG 151 Cb -0.11 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3nix s ARG 151 CO 0.16 -0.48 -0.10 -1.21 -1.08 0.00 0.00 175.30 172.59 3nix s GLU 152 N -3.48 2.13 -0.06 3.89 2.02 -1.26 -0.41 118.70 121.52 3nix s GLU 152 Ca 0.03 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.01 3nix s GLU 152 Cb -0.01 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.93 3nix s GLU 152 CO -0.11 0.51 -0.08 0.42 0.02 0.00 0.00 175.26 176.02 3nix s ILE 153 N -1.22 0.85 -0.16 -1.63 1.01 0.35 -2.21 121.20 118.18 3nix s ILE 153 Ca 0.21 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3nix s ILE 153 Cb -0.11 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3nix s ILE 153 CO 0.14 0.30 0.08 -0.70 0.00 0.00 0.00 174.94 174.76 3nix s GLU 154 N 0.95 3.81 0.06 2.79 2.12 0.03 0.98 118.70 129.43 3nix s GLU 154 Ca -0.10 -0.28 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 3nix s GLU 154 Cb -0.15 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 3nix s GLU 154 CO 0.00 0.43 0.08 0.00 -0.54 0.00 0.00 175.26 175.23 3nix s ALA 155 N -0.04 0.10 -1.55 6.30 0.00 -0.09 -1.32 121.76 125.15 3nix s ALA 155 Ca 0.07 -0.85 0.28 0.00 0.00 0.00 0.00 51.96 51.46 3nix s ALA 155 Cb -0.12 0.36 1.03 0.00 0.00 0.00 0.00 23.12 24.39 3nix s ALA 155 CO 0.01 -0.42 1.74 0.54 0.00 0.00 0.00 175.76 177.63 3nix n ARG 156 N 0.14 0.60 -3.64 0.00 1.74 -0.41 -0.61 116.66 114.47 3nix n ARG 156 Ca -0.15 -0.25 -0.03 0.00 -0.77 0.00 0.00 57.85 56.65 3nix n ARG 156 Cb 0.61 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 3nix n ARG 156 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3nix s PHE 157 N -2.58 -0.58 -0.21 -1.55 5.36 -0.66 -4.50 117.98 113.27 3nix s PHE 157 Ca 0.25 1.15 -0.09 0.00 -0.96 0.00 0.00 56.93 57.28 3nix s PHE 157 Cb 0.19 0.35 -0.05 0.00 -0.34 0.00 0.00 43.02 43.18 3nix s PHE 157 CO 0.51 -0.28 0.11 0.42 -1.46 0.00 0.00 175.22 174.52 3nix s ILE 158 N 1.33 5.09 -0.41 3.12 1.01 0.17 -0.31 121.20 131.20 3nix s ILE 158 Ca -0.09 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 3nix s ILE 158 Cb -0.04 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.16 3nix s ILE 158 CO -0.15 0.41 0.25 -0.63 0.00 0.00 0.00 174.94 174.82 3nix s ILE 159 N 0.69 4.38 -0.73 2.92 1.01 -0.30 -2.16 121.20 127.02 3nix s ILE 159 Ca 0.06 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.23 3nix s ILE 159 Cb -0.13 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.77 3nix s ILE 159 CO 0.01 -0.42 1.31 -0.62 0.00 0.00 0.00 174.94 175.23 3nix s ASP 160 N 1.96 6.12 -0.35 3.58 -1.08 -0.47 -1.50 116.67 124.93 3nix s ASP 160 Ca 0.02 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 51.74 3nix s ASP 160 Cb -0.22 -2.56 0.47 0.00 -1.46 0.00 0.00 42.92 39.16 3nix s ASP 160 CO 0.04 -1.86 1.43 0.00 0.52 0.00 0.00 175.17 175.30 3nix n ALA 161 N 9.54 4.92 1.32 3.66 0.00 0.80 -2.28 120.51 138.46 3nix n ALA 161 Ca 0.04 -3.49 0.12 0.00 0.00 0.00 0.00 53.44 50.11 3nix n ALA 161 Cb 0.49 -0.71 0.65 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.92 0.00 0.00 0.00 3.41 -0.09 -4.33 113.62 111.69 3nix n SER 162 Ca 0.42 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3nix n SER 162 Cb 0.92 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.54 3.63 0.32 5.00 0.00 -1.26 -0.85 105.19 112.57 3nix n GLY 163 Ca 0.15 0.18 0.21 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.99 -1.93 -0.27 116.97 114.39 3nix h TYR 164 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 3nix h TYR 164 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3nix h TYR 164 CO 0.00 0.00 -0.32 0.78 -0.00 0.00 0.00 178.16 178.62 3nix h GLY 165 N 0.55 0.00 -6.79 3.88 0.00 -1.35 -3.47 103.07 95.90 3nix h GLY 165 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3nix h GLY 165 CO 0.00 0.00 -0.90 0.54 0.00 0.00 0.00 176.54 176.18 3nix n ARG 166 N -3.68 -2.38 0.02 4.80 1.74 -0.13 -4.82 116.66 112.22 3nix n ARG 166 Ca -0.01 0.29 -0.10 0.00 -0.77 0.00 0.00 57.85 57.25 3nix n ARG 166 Cb 0.43 -4.44 -0.04 0.00 -1.02 0.00 0.00 32.46 27.40 3nix n ARG 166 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3nix h VAL 167 N -1.65 0.37 -0.03 1.55 2.07 -1.86 -1.57 116.25 115.13 3nix h VAL 167 Ca -0.63 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3nix h VAL 167 Cb 1.39 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3nix h VAL 167 CO 0.71 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 178.47 3nix h ILE 168 N -0.37 1.49 -0.95 4.57 2.04 -1.95 -3.25 117.51 119.09 3nix h ILE 168 Ca 0.09 -1.79 0.22 0.00 1.00 0.00 0.00 64.86 64.38 3nix h ILE 168 Cb 0.50 2.55 -0.08 0.00 -0.74 0.00 0.00 36.82 39.05 3nix h ILE 168 CO -0.30 0.49 0.62 -0.65 0.00 0.00 0.00 178.15 178.32 3nix h PRO 169 N -0.38 0.44 -1.00 2.37 0.11 -1.83 -1.17 132.00 130.53 3nix h PRO 169 Ca -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3nix h PRO 169 Cb 0.93 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3nix h PRO 169 CO 0.05 0.29 0.01 0.54 -0.21 0.00 0.00 178.00 178.68 3nix n ARG 170 N -4.56 1.06 0.00 1.05 1.74 -0.60 0.13 116.66 115.48 3nix n ARG 170 Ca 0.21 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3nix n ARG 170 Cb 0.73 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 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 0.26 0.00 -3.72 -1.55 3.01 -0.44 -4.77 117.46 110.25 3nix n PHE 172 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 3nix n PHE 172 Cb 0.42 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.91 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 0.03 -0.67 0.09 1.37 0.00 -1.01 -4.93 105.19 100.08 3nix n GLY 173 Ca 0.00 0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.20 0.93 -4.73 0.99 4.77 0.35 -4.93 117.00 110.19 3nix n LEU 174 Ca -0.19 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 3nix n LEU 174 Cb 0.63 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3nix n LEU 174 CO 0.69 0.21 1.34 -1.81 -1.33 0.00 0.00 177.39 176.48 3nix s ASP 175 N -2.29 6.38 -0.03 -1.43 1.01 -1.19 0.20 116.67 119.32 3nix s ASP 175 Ca 0.08 2.89 0.01 0.00 0.71 0.00 0.00 52.55 56.23 3nix s ASP 175 Cb 0.12 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.46 3nix s ASP 175 CO 0.56 -0.95 -0.04 -0.75 0.21 0.00 0.00 175.17 174.20 3nix s LYS 176 N 0.71 0.66 0.57 8.23 2.20 0.42 -4.67 119.74 127.87 3nix s LYS 176 Ca 0.72 -0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 56.02 3nix s LYS 176 Cb -0.49 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 3nix s LYS 176 CO 0.36 -0.04 1.29 -2.30 -0.36 0.00 0.00 175.35 174.30 3nix n PRO 177 N 3.82 1.47 0.12 4.03 -0.02 -1.26 0.14 135.00 143.30 3nix n PRO 177 Ca -0.23 0.55 -0.22 0.00 -2.02 0.00 0.00 63.50 61.58 3nix n PRO 177 Cb 0.52 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 3nix n PRO 177 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3nix h SER 178 N 1.14 0.75 0.00 2.55 0.87 -1.87 -3.41 113.55 113.59 3nix h SER 178 Ca -0.50 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.29 3nix h SER 178 Cb 1.32 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3nix h SER 178 CO 0.55 1.59 0.00 0.61 -0.53 0.00 0.00 176.83 179.05 3nix n GLY 179 N 1.55 2.98 3.77 5.77 0.00 -1.26 -4.96 105.19 113.05 3nix n GLY 179 Ca -0.14 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.92 2.86 0.68 1.61 0.08 -1.26 -5.03 117.98 116.01 3nix s PHE 180 Ca 0.00 1.32 -0.10 0.00 0.12 0.00 0.00 56.93 58.27 3nix s PHE 180 Cb 0.00 -3.81 0.01 0.00 -0.57 0.00 0.00 43.02 38.65 3nix s PHE 180 CO 0.00 -2.29 1.06 -1.83 -0.10 0.00 0.00 175.22 172.06 3nix s GLU 181 N -1.93 2.88 0.42 0.44 -1.05 -1.26 -5.00 118.70 113.20 3nix s GLU 181 Ca 0.51 0.38 -0.25 0.00 -0.15 0.00 0.00 54.97 55.46 3nix s GLU 181 Cb -0.42 -2.07 -0.08 0.00 -0.44 0.00 0.00 34.13 31.12 3nix s GLU 181 CO 0.57 -0.96 1.24 0.45 0.95 0.00 0.00 175.26 177.50 3nix s SER 182 N -4.35 6.31 0.06 0.83 0.15 -1.26 -4.98 113.70 110.46 3nix s SER 182 Ca 0.57 2.50 0.04 0.00 0.70 0.00 0.00 55.95 59.75 3nix s SER 182 Cb -0.11 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3nix s SER 182 CO 0.51 -0.84 -0.11 -0.13 1.20 0.00 0.00 173.24 173.87 3nix s ARG 183 N -2.36 0.68 0.25 5.44 0.52 -1.26 -4.62 118.95 117.59 3nix s ARG 183 Ca 0.59 -0.89 0.09 0.00 -0.52 0.00 0.00 55.73 55.00 3nix s ARG 183 Cb -0.34 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 3nix s ARG 183 CO 0.43 0.11 0.03 0.50 0.02 0.00 0.00 175.30 176.38 3nix s ARG 184 N -1.80 2.41 0.04 3.54 3.52 0.03 -1.79 118.95 124.91 3nix s ARG 184 Ca -0.05 -1.31 0.02 0.00 -0.13 0.00 0.00 55.73 54.26 3nix s ARG 184 Cb -0.09 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.02 3nix s ARG 184 CO 0.01 0.39 -0.06 -0.08 -0.81 0.00 0.00 175.30 174.74 3nix s THR 185 N -2.18 0.46 -0.10 4.11 -1.32 0.04 -1.55 115.64 115.10 3nix s THR 185 Ca 0.31 -1.18 -0.04 0.00 -1.21 0.00 0.00 61.69 59.57 3nix s THR 185 Cb -0.07 -0.71 0.05 0.00 -1.51 0.00 0.00 72.50 70.26 3nix s THR 185 CO 0.20 -0.49 0.19 -0.22 -2.21 0.00 0.00 174.62 172.09 3nix s LEU 186 N -1.80 -0.09 0.22 9.08 0.20 0.13 -2.77 118.68 123.65 3nix s LEU 186 Ca -0.08 0.40 -0.09 0.00 0.69 0.00 0.00 54.13 55.06 3nix s LEU 186 Cb -0.07 0.40 -0.02 0.00 -0.43 0.00 0.00 46.19 46.07 3nix s LEU 186 CO -0.01 -0.24 0.35 0.72 -0.29 0.00 0.00 176.35 176.88 3nix s PHE 187 N 2.26 0.61 0.12 5.38 -0.12 -1.04 0.71 117.98 125.90 3nix s PHE 187 Ca 0.02 -0.93 -0.26 0.00 -0.05 0.00 0.00 56.93 55.71 3nix s PHE 187 Cb -0.12 -0.07 0.08 0.00 -0.63 0.00 0.00 43.02 42.29 3nix s PHE 187 CO -0.07 -0.86 1.08 -0.08 -0.05 0.00 0.00 175.22 175.24 3nix s THR 188 N -4.06 0.00 -0.11 -4.49 -1.32 -0.59 -1.34 115.64 103.73 3nix s THR 188 Ca 0.27 -0.52 -0.06 0.00 -1.21 0.00 0.00 61.69 60.18 3nix s THR 188 Cb 0.02 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 3nix s THR 188 CO 0.09 0.00 0.11 -1.00 -2.21 0.00 0.00 174.62 171.61 3nix s HIS 189 N -2.70 3.51 -0.06 9.09 3.76 -1.26 -1.45 115.29 126.18 3nix s HIS 189 Ca 0.16 0.46 0.05 0.00 -0.15 0.00 0.00 55.06 55.58 3nix s HIS 189 Cb -0.00 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 3nix s HIS 189 CO 0.02 0.68 -0.22 0.42 -0.85 0.00 0.00 174.74 174.79 3nix s ILE 190 N -1.01 1.83 -0.36 0.60 1.01 -0.62 -1.21 121.20 121.44 3nix s ILE 190 Ca 0.15 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 3nix s ILE 190 Cb -0.12 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3nix s ILE 190 CO 0.04 0.51 2.01 -0.75 0.00 0.00 0.00 174.94 176.75 3nix s LYS 191 N -0.04 3.02 -1.39 2.79 2.20 -0.01 -1.12 119.74 125.19 3nix s LYS 191 Ca -0.05 1.49 -0.08 0.00 -0.36 0.00 0.00 55.97 56.97 3nix s LYS 191 Cb -0.13 -4.32 0.08 0.00 -1.51 0.00 0.00 37.83 31.94 3nix s LYS 191 CO 0.04 -2.23 2.38 -3.47 -0.36 0.00 0.00 175.35 171.70 3nix n ASP 192 N 11.77 7.13 -0.24 1.43 2.03 -0.31 -4.45 116.55 133.91 3nix n ASP 192 Ca 0.26 -2.98 0.16 0.00 0.52 0.00 0.00 54.79 52.75 3nix n ASP 192 Cb 0.48 -1.46 0.46 0.00 -0.72 0.00 0.00 41.12 39.88 3nix n ASP 192 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3nix h VAL 193 N 3.08 0.75 -0.54 5.18 2.07 -1.88 -1.83 116.25 123.08 3nix h VAL 193 Ca 0.66 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 68.00 3nix h VAL 193 Cb 0.40 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3nix h VAL 193 CO 1.62 0.09 0.00 0.29 0.02 0.00 0.00 177.57 179.59 3nix n LYS 194 N -4.54 3.42 -1.68 1.57 5.02 -1.26 -4.96 118.16 115.73 3nix n LYS 194 Ca 0.18 -2.43 -0.57 0.00 -2.02 0.00 0.00 58.31 53.46 3nix n LYS 194 Cb 0.59 -1.84 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3nix n LYS 194 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3nix n ARG 195 N 0.87 1.03 -1.58 1.97 0.63 -0.69 -4.89 116.66 113.99 3nix n ARG 195 Ca 0.22 0.37 -0.42 0.00 -0.92 0.00 0.00 57.85 57.11 3nix n ARG 195 Cb 0.80 -2.03 0.01 0.00 0.45 0.00 0.00 32.46 31.69 3nix n ARG 195 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3nix n PRO 196 N 4.57 1.23 0.00 -0.14 -0.02 -1.26 -5.16 135.00 134.22 3nix n PRO 196 Ca 0.25 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3nix n PRO 196 Cb 0.12 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.44 0.00 0.00 -1.45 0.31 -1.26 -5.12 118.33 110.36 3nix n VAL 197 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3nix n VAL 197 Cb 0.38 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 0.32 1.00 2.14 2.92 0.00 -1.26 -5.28 105.19 105.03 3nix n GLY 203 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 6.23 -3.74 1.61 0.23 -1.26 -4.85 115.26 113.48 3nix n ASN 204 Ca 0.00 -3.77 -0.14 0.00 -0.53 0.00 0.00 54.58 50.15 3nix n ASN 204 Cb 0.00 -0.76 -0.09 0.00 -2.08 0.00 0.00 39.78 36.85 3nix n ASN 204 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3nix s ARG 205 N -3.68 0.66 0.28 -3.83 1.81 -1.26 -0.80 118.95 112.13 3nix s ARG 205 Ca 0.59 -0.06 -0.17 0.00 -1.72 0.00 0.00 55.73 54.37 3nix s ARG 205 Cb 0.47 0.30 -0.09 0.00 -0.45 0.00 0.00 34.95 35.18 3nix s ARG 205 CO 0.01 -0.17 0.74 -1.50 -0.68 0.00 0.00 175.30 173.70 3nix s ILE 206 N -1.10 4.61 -0.13 1.52 2.07 -0.87 -4.57 121.20 122.74 3nix s ILE 206 Ca -0.11 1.13 0.02 0.00 -1.41 0.00 0.00 60.65 60.27 3nix s ILE 206 Cb -0.04 -3.73 0.01 0.00 0.13 0.00 0.00 42.46 38.83 3nix s ILE 206 CO 0.04 -0.00 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.99 3nix s THR 207 N -1.77 1.79 -0.23 4.00 2.01 -0.51 -0.67 115.64 120.26 3nix s THR 207 Ca 0.49 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 3nix s THR 207 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3nix s THR 207 CO 0.19 0.50 -0.01 0.00 -0.69 0.00 0.00 174.62 174.60 3nix s ALA 208 N 0.98 2.90 -0.27 7.40 0.00 -0.34 -0.22 121.76 132.21 3nix s ALA 208 Ca -0.05 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 3nix s ALA 208 Cb -0.15 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 3nix s ALA 208 CO -0.03 -0.46 0.19 0.08 0.00 0.00 0.00 175.76 175.54 3nix s VAL 209 N 1.51 5.32 -0.77 0.00 1.01 0.25 -1.57 120.40 126.15 3nix s VAL 209 Ca 0.06 0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 3nix s VAL 209 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3nix s VAL 209 CO -0.02 0.27 1.51 -0.69 0.00 0.00 0.00 175.10 176.17 3nix s VAL 210 N 1.58 3.65 -0.11 2.92 1.01 0.14 -1.02 120.40 128.57 3nix s VAL 210 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3nix s VAL 210 Cb -0.15 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 3nix s VAL 210 CO 0.09 -1.57 -0.05 -0.74 0.00 0.00 0.00 175.10 172.83 3nix h HIS 211 N 11.27 0.00 -3.49 5.22 6.17 -1.43 -3.41 115.15 129.47 3nix h HIS 211 Ca -0.16 0.00 -0.37 0.00 0.71 0.00 0.00 60.37 60.55 3nix h HIS 211 Cb 1.07 0.00 -0.14 0.00 2.52 0.00 0.00 27.41 30.85 3nix h HIS 211 CO 1.14 0.00 -0.63 0.15 0.71 0.00 0.00 177.93 179.30 3nix s LYS 212 N -1.72 1.40 0.38 5.26 -0.14 -0.77 -4.96 119.74 119.18 3nix s LYS 212 Ca -0.04 -1.74 0.22 0.00 -1.36 0.00 0.00 55.97 53.05 3nix s LYS 212 Cb 0.01 -0.46 1.33 0.00 -1.68 0.00 0.00 37.83 37.02 3nix s LYS 212 CO 0.06 -0.21 1.60 -1.35 -0.76 0.00 0.00 175.35 174.70 3nix h PRO 213 N 2.40 0.07 0.00 -1.68 0.10 -2.02 0.02 132.00 130.88 3nix h PRO 213 Ca -0.38 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.71 3nix h PRO 213 Cb 1.24 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.32 3nix h PRO 213 CO 0.64 0.05 -0.06 1.63 0.10 0.00 0.00 178.00 180.35 3nix n LYS 214 N -5.09 1.29 -4.56 1.05 5.02 -1.26 -4.98 118.16 109.63 3nix n LYS 214 Ca 0.37 -2.21 -0.22 0.00 -2.02 0.00 0.00 58.31 54.23 3nix n LYS 214 Cb 1.28 -1.29 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 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 -2.24 1.02 0.08 -0.18 1.01 -0.01 -3.14 120.40 116.95 3nix s VAL 215 Ca 0.24 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3nix s VAL 215 Cb 0.21 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3nix s VAL 215 CO 0.02 0.30 0.02 -1.66 0.00 0.00 0.00 175.10 173.79 3nix s TRP 216 N 0.08 0.61 -0.03 5.22 1.48 0.39 -1.16 118.94 125.53 3nix s TRP 216 Ca -0.02 -1.09 0.05 0.00 -1.06 0.00 0.00 56.10 53.98 3nix s TRP 216 Cb -0.09 -0.39 -0.01 0.00 -1.16 0.00 0.00 33.47 31.82 3nix s TRP 216 CO 0.01 -0.44 -0.17 0.42 -4.06 0.00 0.00 176.95 172.71 3nix s ILE 217 N -3.96 1.36 -0.10 0.66 1.01 -0.19 0.18 121.20 120.16 3nix s ILE 217 Ca 0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3nix s ILE 217 Cb 0.08 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 3nix s ILE 217 CO -0.06 0.39 0.03 -1.66 0.00 0.00 0.00 174.94 173.64 3nix s TRP 218 N -0.17 3.23 -0.26 3.97 -2.14 -0.19 0.87 118.94 124.25 3nix s TRP 218 Ca 0.01 0.20 0.03 0.00 2.66 0.00 0.00 56.10 59.01 3nix s TRP 218 Cb -0.09 -1.85 0.06 0.00 -3.10 0.00 0.00 33.47 28.49 3nix s TRP 218 CO 0.01 0.45 -0.10 0.08 -2.66 0.00 0.00 176.95 174.72 3nix s VAL 219 N -0.70 2.14 -0.26 -0.66 1.01 0.70 -1.33 120.40 121.29 3nix s VAL 219 Ca 0.11 -1.63 0.02 0.00 0.00 0.00 0.00 61.98 60.48 3nix s VAL 219 Cb -0.12 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.06 3nix s VAL 219 CO 0.02 -0.04 -0.07 -0.63 0.00 0.00 0.00 175.10 174.38 3nix s ILE 220 N 1.11 1.93 -0.14 2.22 1.01 0.68 -1.42 121.20 126.60 3nix s ILE 220 Ca -0.08 -1.54 -0.27 0.00 0.00 0.00 0.00 60.65 58.75 3nix s ILE 220 Cb -0.20 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3nix s ILE 220 CO -0.05 -0.11 0.90 -2.16 0.00 0.00 0.00 174.94 173.52 3nix s PRO 221 N 1.20 4.36 0.43 2.79 0.04 -1.26 -0.32 135.00 142.24 3nix s PRO 221 Ca -0.06 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.20 3nix s PRO 221 Cb -0.19 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.80 3nix s PRO 221 CO -0.06 -0.30 0.60 -0.06 0.04 0.00 0.00 177.00 177.22 3nix s PHE 222 N 2.01 2.95 -2.38 0.56 0.08 -0.25 -4.70 117.98 116.25 3nix s PHE 222 Ca 0.43 -0.20 0.22 0.00 0.12 0.00 0.00 56.93 57.49 3nix s PHE 222 Cb -0.17 -2.35 0.65 0.00 -0.57 0.00 0.00 43.02 40.58 3nix s PHE 222 CO 0.15 -0.40 1.50 -1.13 -0.10 0.00 0.00 175.22 175.24 3nix n SER 223 N -1.92 2.19 -1.24 1.36 3.41 -1.26 -3.87 113.62 112.29 3nix n SER 223 Ca 0.05 -1.79 0.08 0.00 -0.26 0.00 0.00 58.87 56.96 3nix n SER 223 Cb 0.59 -0.13 0.28 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.67 3.63 0.00 4.04 0.23 -1.26 -4.91 115.26 117.66 3nix n ASN 224 Ca 0.17 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.00 3nix n ASN 224 Cb 0.42 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3nix n ASN 224 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3nix n GLY 225 N 1.16 2.33 3.86 4.83 0.00 -1.25 -5.05 105.19 111.07 3nix n GLY 225 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.63 5.56 -0.06 1.61 0.02 -1.26 -1.16 114.94 118.02 3nix s ASN 226 Ca 0.00 -0.29 -0.00 0.00 -1.02 0.00 0.00 52.86 51.55 3nix s ASN 226 Cb 0.00 -1.31 0.03 0.00 0.02 0.00 0.00 41.25 39.99 3nix s ASN 226 CO 0.00 -0.16 -0.02 -0.89 0.02 0.00 0.00 177.10 176.05 3nix s THR 227 N -2.17 0.43 0.06 1.60 2.01 -0.28 -1.09 115.64 116.21 3nix s THR 227 Ca 0.36 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 3nix s THR 227 Cb -0.07 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.84 3nix s THR 227 CO 0.26 0.24 1.47 -0.55 -0.69 0.00 0.00 174.62 175.35 3nix s SER 228 N 1.47 6.77 -0.04 3.53 0.15 0.57 -1.59 113.70 124.55 3nix s SER 228 Ca -0.03 2.30 0.04 0.00 0.70 0.00 0.00 55.95 58.96 3nix s SER 228 Cb -0.13 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3nix s SER 228 CO -0.03 -0.75 -0.17 -0.69 1.20 0.00 0.00 173.24 172.81 3nix s VAL 229 N 1.99 1.41 -0.08 4.45 1.01 -0.53 -0.23 120.40 128.42 3nix s VAL 229 Ca 0.67 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3nix s VAL 229 Cb -0.36 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 34.86 3nix s VAL 229 CO 0.29 0.41 0.19 -0.83 0.00 0.00 0.00 175.10 175.16 3nix s GLY 230 N 0.02 -0.09 0.04 4.51 0.00 -0.45 -1.54 107.32 109.81 3nix s GLY 230 Ca -0.03 0.82 -0.24 0.00 0.00 0.00 0.00 44.72 45.26 3nix s GLY 230 CO 0.02 1.08 0.74 -1.36 0.00 0.00 0.00 173.10 173.58 3nix s PHE 231 N 1.13 3.73 0.02 1.90 0.40 0.22 -1.02 117.98 124.37 3nix s PHE 231 Ca -0.09 1.44 0.05 0.00 -0.60 0.00 0.00 56.93 57.73 3nix s PHE 231 Cb -0.10 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 3nix s PHE 231 CO -0.07 0.29 -0.15 0.08 0.70 0.00 0.00 175.22 176.07 3nix s VAL 232 N -0.08 1.17 -5.00 -0.44 1.01 0.13 -0.69 120.40 116.49 3nix s VAL 232 Ca 0.37 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3nix s VAL 232 Cb -0.20 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3nix s VAL 232 CO 0.22 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3nix n GLY 233 N 2.16 0.03 3.63 4.51 0.00 -0.60 -0.46 105.19 114.46 3nix n GLY 233 Ca -0.17 -1.31 -0.51 0.00 0.00 0.00 0.00 46.02 44.03 3nix n GLY 233 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3nix n GLU 234 N 0.00 1.43 -0.05 1.61 2.13 -1.19 -0.79 120.64 123.78 3nix n GLU 234 Ca 0.00 0.52 -0.08 0.00 0.66 0.00 0.00 57.16 58.26 3nix n GLU 234 Cb 0.00 -2.20 -0.02 0.00 0.27 0.00 0.00 31.44 29.49 3nix n GLU 234 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3nix h PRO 235 N 5.36 -0.05 -1.11 5.31 0.13 -1.90 -2.46 132.00 137.28 3nix h PRO 235 Ca -0.47 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.98 3nix h PRO 235 Cb 1.31 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 3nix h PRO 235 CO 0.83 -0.03 0.78 0.66 -0.23 0.00 0.00 178.00 180.01 3nix h SER 236 N -0.05 0.12 -0.36 1.44 4.64 -1.98 0.20 113.55 117.57 3nix h SER 236 Ca 0.12 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 3nix h SER 236 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3nix h SER 236 CO -0.28 0.02 0.11 0.22 -0.87 0.00 0.00 176.83 176.04 3nix h TYR 237 N 0.10 0.58 -0.01 4.77 3.20 -1.81 -2.69 116.97 121.11 3nix h TYR 237 Ca 0.56 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.37 3nix h TYR 237 Cb 2.00 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 40.11 3nix h TYR 237 CO -0.00 0.56 0.01 0.74 -1.64 0.00 0.00 178.16 177.82 3nix h PHE 238 N 0.43 0.00 0.00 -3.82 -1.00 -0.67 -1.88 116.94 110.00 3nix h PHE 238 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3nix h PHE 238 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 3nix h PHE 238 CO 0.01 0.00 0.00 -0.25 -1.61 0.00 0.00 178.31 176.46 3nix n ASP 239 N -4.44 0.49 -0.27 2.17 8.00 -0.96 -2.52 116.55 119.01 3nix n ASP 239 Ca -0.03 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.15 3nix n ASP 239 Cb 0.10 -0.69 0.49 0.00 -0.02 0.00 0.00 41.12 40.99 3nix n ASP 239 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3nix n GLU 240 N -1.98 1.36 -4.97 -1.24 0.28 -0.71 -4.64 120.64 108.74 3nix n GLU 240 Ca 0.05 -0.54 -0.32 0.00 -0.16 0.00 0.00 57.16 56.18 3nix n GLU 240 Cb 0.32 -1.35 -0.15 0.00 1.43 0.00 0.00 31.44 31.69 3nix n GLU 240 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3nix s TYR 241 N -1.91 2.69 0.37 -1.84 1.51 -1.05 -5.13 117.35 111.99 3nix s TYR 241 Ca 0.31 -0.72 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 3nix s TYR 241 Cb 0.16 -1.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 3nix s TYR 241 CO 0.25 -0.23 0.08 0.95 -1.11 0.00 0.00 175.55 175.48 3nix s THR 242 N 0.19 2.51 -0.56 -0.71 -4.23 -1.26 -5.00 115.64 106.57 3nix s THR 242 Ca -0.10 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3nix s THR 242 Cb -0.16 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3nix s THR 242 CO 0.06 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3nix n GLY 243 N -1.06 0.52 3.78 3.99 0.00 -1.26 -4.56 105.19 106.59 3nix n GLY 243 Ca -0.03 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 3nix n GLY 243 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nix s THR 244 N -0.51 3.50 0.26 2.61 -4.23 -1.26 -4.73 115.64 111.28 3nix s THR 244 Ca 0.00 0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 3nix s THR 244 Cb 0.00 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.99 3nix s THR 244 CO 0.00 -0.57 1.69 -0.65 -0.54 0.00 0.00 174.62 174.55 3nix h PRO 245 N -0.62 0.31 -0.77 3.99 0.11 -1.98 0.73 132.00 133.78 3nix h PRO 245 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3nix h PRO 245 Cb 1.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3nix h PRO 245 CO 0.54 0.20 0.34 1.49 -0.21 0.00 0.00 178.00 180.36 3nix h GLU 246 N 0.32 1.12 -0.34 1.05 4.81 -1.92 -3.16 114.58 116.46 3nix h GLU 246 Ca 0.46 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3nix h GLU 246 Cb 0.81 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3nix h GLU 246 CO -0.52 0.90 -0.01 0.93 -0.73 0.00 0.00 179.01 179.58 3nix h GLU 247 N 1.09 0.61 -0.85 1.92 5.08 -1.32 -0.67 114.58 120.44 3nix h GLU 247 Ca 0.26 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3nix h GLU 247 Cb 0.17 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3nix h GLU 247 CO -0.03 0.73 0.00 0.54 -1.00 0.00 0.00 179.01 179.25 3nix n ARG 248 N -4.51 0.00 0.00 2.33 1.74 0.04 -0.43 116.66 115.84 3nix n ARG 248 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3nix n ARG 248 Cb 0.28 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.71 0.00 0.00 5.56 1.74 -0.26 -4.55 116.66 119.86 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 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 1.66 0.00 7.54 0.00 0.43 -1.65 120.51 128.49 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 0.26 0.00 0.22 0.00 5.41 -1.26 -2.27 119.36 121.72 3nix n ILE 253 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 3nix n ILE 253 Cb 0.10 0.00 0.81 0.00 -0.71 0.00 0.00 39.64 39.85 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 1.82 -0.28 -1.39 0.00 -1.64 -1.13 119.26 116.64 3nix h ALA 254 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nix h ALA 254 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3nix h ALA 254 CO 0.00 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.14 3nix n ASN 255 N -3.98 2.30 -3.82 0.00 5.03 -0.96 -4.79 115.26 109.04 3nix n ASN 255 Ca 0.00 -2.19 -0.28 0.00 0.87 0.00 0.00 54.58 52.98 3nix n ASN 255 Cb 0.25 -0.38 -0.16 0.00 -1.02 0.00 0.00 39.78 38.46 3nix n ASN 255 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3nix s GLU 256 N -1.66 1.05 0.28 3.52 2.56 -0.43 -5.02 118.70 119.00 3nix s GLU 256 Ca 0.22 -0.59 0.01 0.00 0.00 0.00 0.00 54.97 54.61 3nix s GLU 256 Cb 0.14 -2.21 0.65 0.00 2.00 0.00 0.00 34.13 34.71 3nix s GLU 256 CO 0.11 -0.59 1.71 0.78 -0.56 0.00 0.00 175.26 176.71 3nix h GLY 257 N 8.14 1.43 2.00 -1.50 0.00 -1.86 0.59 103.07 111.87 3nix h GLY 257 Ca -0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3nix h GLY 257 CO 0.37 -0.20 -0.08 0.84 0.00 0.00 0.00 176.54 177.46 3nix h HIS 258 N 0.44 0.00 0.00 5.60 6.17 -1.94 -3.32 115.15 122.09 3nix h HIS 258 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.60 3nix h HIS 258 Cb 0.92 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.85 3nix h HIS 258 CO -0.14 0.08 -0.27 0.44 0.71 0.00 0.00 177.93 178.75 3nix n ILE 259 N -3.96 0.00 -0.04 6.26 -5.35 -0.79 -4.83 119.36 110.66 3nix n ILE 259 Ca -0.02 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.16 3nix n ILE 259 Cb 0.17 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 38.70 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 -0.62 -0.47 -1.28 0.00 -1.00 -0.22 119.26 115.67 3nix h ALA 260 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3nix h ALA 260 Cb 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3nix h ALA 260 CO 0.00 -0.95 -0.04 1.49 0.00 0.00 0.00 179.25 179.75 3nix h GLU 261 N -0.46 0.81 -0.35 0.00 4.57 -1.85 -1.65 114.58 115.65 3nix h GLU 261 Ca 0.08 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3nix h GLU 261 Cb 0.63 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3nix h GLU 261 CO -0.46 0.84 0.18 -0.09 -1.18 0.00 0.00 179.01 178.30 3nix h ARG 262 N 0.75 0.51 -0.26 1.92 2.43 -1.59 -3.23 114.38 114.91 3nix h ARG 262 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3nix h ARG 262 Cb 0.51 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3nix h ARG 262 CO 0.03 0.45 0.00 1.19 -1.51 0.00 0.00 179.97 180.12 3nix n PHE 263 N -4.74 0.32 -2.30 2.20 3.72 -0.20 -4.51 117.46 111.94 3nix n PHE 263 Ca -0.01 -0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 3nix n PHE 263 Cb 0.10 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3nix n PHE 263 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3nix s LYS 264 N -1.41 4.40 0.00 -1.08 2.20 -0.63 -2.74 119.74 120.49 3nix s LYS 264 Ca 0.30 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 3nix s LYS 264 Cb 0.19 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3nix s LYS 264 CO 0.26 -0.29 0.00 0.43 -0.36 0.00 0.00 175.35 175.39 3nix n SER 265 N 3.54 0.00 -4.76 1.43 7.64 -1.26 -5.00 113.62 115.21 3nix n SER 265 Ca 0.09 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.57 3nix n SER 265 Cb 0.44 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.08 4.70 0.36 1.43 0.41 -1.11 -5.00 118.70 119.40 3nix s GLU 266 Ca 0.00 1.31 -0.28 0.00 -0.41 0.00 0.00 54.97 55.58 3nix s GLU 266 Cb 0.00 -3.28 -0.11 0.00 -1.78 0.00 0.00 34.13 28.97 3nix s GLU 266 CO 0.00 0.53 1.44 -2.00 -0.49 0.00 0.00 175.26 174.74 3nix s GLU 267 N -1.10 4.18 0.03 1.61 2.12 -1.26 -4.81 118.70 119.46 3nix s GLU 267 Ca 0.38 2.47 -0.19 0.00 0.36 0.00 0.00 54.97 57.99 3nix s GLU 267 Cb -0.24 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.08 3nix s GLU 267 CO 0.29 -0.44 0.54 -0.06 -0.54 0.00 0.00 175.26 175.05 3nix s PHE 268 N -1.06 3.74 0.13 5.30 0.40 -1.26 -0.83 117.98 124.41 3nix s PHE 268 Ca 0.52 1.18 0.12 0.00 -0.60 0.00 0.00 56.93 58.15 3nix s PHE 268 Cb -0.45 -2.49 0.19 0.00 0.51 0.00 0.00 43.02 40.78 3nix s PHE 268 CO 0.59 0.51 1.50 -0.07 0.70 0.00 0.00 175.22 178.46 3nix h LEU 269 N 4.98 0.00 -7.24 -0.37 -0.00 -1.54 -3.47 115.31 107.68 3nix h LEU 269 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.34 3nix h LEU 269 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.72 3nix h LEU 269 CO 0.65 0.68 0.02 0.72 -0.00 0.00 0.00 178.44 180.51 3nix s PHE 270 N -3.21 -0.38 0.23 1.13 -0.71 -1.26 -5.04 117.98 108.75 3nix s PHE 270 Ca 0.01 0.32 -0.31 0.00 -1.04 0.00 0.00 56.93 55.90 3nix s PHE 270 Cb 0.11 0.33 -0.13 0.00 -1.21 0.00 0.00 43.02 42.12 3nix s PHE 270 CO 0.76 -0.67 1.48 -1.91 -1.34 0.00 0.00 175.22 173.55 3nix n GLU 271 N 0.23 2.20 -1.62 1.99 2.13 -1.26 -4.69 120.64 119.61 3nix n GLU 271 Ca -0.18 0.78 -0.48 0.00 0.66 0.00 0.00 57.16 57.94 3nix n GLU 271 Cb 0.61 -2.49 -0.04 0.00 0.27 0.00 0.00 31.44 29.79 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 2.35 1.56 -4.08 5.31 -0.02 -1.26 -4.96 135.00 133.89 3nix n PRO 272 Ca 0.12 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 3nix n PRO 272 Cb 0.32 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.11 2.82 -0.07 -0.52 0.52 -0.45 -4.82 118.95 116.52 3nix s ARG 273 Ca 0.76 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 3nix s ARG 273 Cb -0.80 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 3nix s ARG 273 CO 0.47 0.52 -0.23 0.99 0.02 0.00 0.00 175.30 177.07 3nix s THR 274 N -1.57 2.19 -0.04 0.02 2.01 -1.26 -2.48 115.64 114.51 3nix s THR 274 Ca 0.29 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.33 3nix s THR 274 Cb -0.11 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3nix s THR 274 CO 0.22 0.56 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.94 3nix s ILE 275 N -0.02 1.19 0.07 1.82 1.01 -1.12 -4.97 121.20 119.19 3nix s ILE 275 Ca -0.08 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3nix s ILE 275 Cb -0.15 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3nix s ILE 275 CO 0.05 0.35 -0.10 -0.70 0.00 0.00 0.00 174.94 174.54 3nix s GLU 276 N 0.17 0.72 -1.16 2.79 2.12 -1.26 -0.78 118.70 121.30 3nix s GLU 276 Ca -0.05 -0.97 -0.08 0.00 0.36 0.00 0.00 54.97 54.24 3nix s GLU 276 Cb -0.11 -0.49 0.01 0.00 0.26 0.00 0.00 34.13 33.80 3nix s GLU 276 CO 0.02 0.09 1.01 0.41 -0.54 0.00 0.00 175.26 176.24 3nix n GLY 277 N 1.04 -0.32 0.00 -1.50 0.00 -0.74 -4.89 105.19 98.78 3nix n GLY 277 Ca -0.20 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.64 0.00 -2.94 1.61 0.18 -1.26 -4.77 117.16 105.34 3nix n TYR 278 Ca 0.01 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.39 3nix n TYR 278 Cb 0.55 -0.48 -0.06 0.00 -0.38 0.00 0.00 39.34 38.98 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 -2.96 3.39 -0.10 -3.48 0.00 -1.26 -4.81 121.76 112.54 3nix s ALA 279 Ca 0.14 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 3nix s ALA 279 Cb 0.18 -3.02 0.11 0.00 0.00 0.00 0.00 23.12 20.39 3nix s ALA 279 CO 0.50 0.18 0.94 -1.50 0.00 0.00 0.00 175.76 175.87 3nix s ILE 280 N -0.69 0.00 0.11 0.00 1.10 -1.21 -4.61 121.20 115.91 3nix s ILE 280 Ca 0.38 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.53 3nix s ILE 280 Cb -0.23 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 41.38 3nix s ILE 280 CO 0.26 0.00 0.02 -0.24 -2.11 0.00 0.00 174.94 172.87 3nix n SER 281 N 0.44 1.50 -3.81 4.50 2.88 0.38 -2.34 113.62 117.17 3nix n SER 281 Ca -0.10 -1.53 -0.15 0.00 -1.33 0.00 0.00 58.87 55.76 3nix n SER 281 Cb 0.59 0.19 -0.15 0.00 -0.75 0.00 0.00 64.21 64.08 3nix n SER 281 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3nix s ALA 282 N -2.25 0.11 0.44 -1.46 0.00 -1.23 -0.44 121.76 116.93 3nix s ALA 282 Ca 0.03 0.19 0.12 0.00 0.00 0.00 0.00 51.96 52.30 3nix s ALA 282 Cb 0.00 -0.19 0.98 0.00 0.00 0.00 0.00 23.12 23.92 3nix s ALA 282 CO 0.02 -0.07 2.02 0.66 0.00 0.00 0.00 175.76 178.40 3nix h SER 283 N 6.93 0.15 -5.09 0.00 4.64 0.20 -3.44 113.55 116.94 3nix h SER 283 Ca -0.39 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 3nix h SER 283 Cb 1.15 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 3nix h SER 283 CO 0.49 0.22 -0.24 -1.59 -0.87 0.00 0.00 176.83 174.84 3nix s LYS 284 N -4.92 0.88 0.00 4.77 -2.85 -1.26 -5.07 119.74 111.28 3nix s LYS 284 Ca -0.05 -0.68 0.15 0.00 -1.00 0.00 0.00 55.97 54.39 3nix s LYS 284 Cb 0.16 0.37 0.25 0.00 -2.06 0.00 0.00 37.83 36.56 3nix s LYS 284 CO 0.71 -0.30 1.14 1.28 0.10 0.00 0.00 175.35 178.28 3nix n LEU 285 N 0.22 2.70 -3.73 2.77 4.32 -1.26 -4.97 117.00 117.04 3nix n LEU 285 Ca -0.17 -1.44 -0.06 0.00 -0.02 0.00 0.00 56.01 54.32 3nix n LEU 285 Cb 0.61 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 42.26 3nix n LEU 285 CO 0.21 0.59 0.61 -0.72 -1.22 0.00 0.00 177.39 176.85 3nix s TYR 286 N -1.14 -0.21 0.10 -1.77 1.13 -1.26 -0.64 117.35 113.56 3nix s TYR 286 Ca 0.24 -0.12 -0.04 0.00 -1.41 0.00 0.00 57.07 55.73 3nix s TYR 286 Cb 0.14 0.64 0.02 0.00 -1.10 0.00 0.00 41.96 41.66 3nix s TYR 286 CO 0.20 -0.93 0.22 0.41 -2.51 0.00 0.00 175.55 172.94 3nix n GLY 287 N -0.44 1.64 3.61 5.49 0.00 0.13 -4.97 105.19 110.65 3nix n GLY 287 Ca -0.07 -1.06 -0.46 0.00 0.00 0.00 0.00 46.02 44.43 3nix n GLY 287 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nix n ASP 288 N -1.10 3.32 0.00 1.61 8.00 -1.26 -2.14 116.55 124.99 3nix n ASP 288 Ca -0.02 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.09 3nix n ASP 288 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 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 5.24 0.82 3.34 0.44 0.00 -1.26 -4.70 105.19 109.07 3nix n GLY 289 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.03 -0.34 0.08 1.61 -0.71 -0.91 0.43 117.98 115.11 3nix s PHE 290 Ca 0.00 0.48 0.04 0.00 -1.04 0.00 0.00 56.93 56.40 3nix s PHE 290 Cb 0.00 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 3nix s PHE 290 CO 0.00 -0.52 -0.11 0.54 -1.34 0.00 0.00 175.22 173.80 3nix s VAL 291 N -1.72 0.90 0.16 -2.49 0.11 -0.92 -0.70 120.40 115.75 3nix s VAL 291 Ca -0.10 -1.45 0.06 0.00 -2.93 0.00 0.00 61.98 57.56 3nix s VAL 291 Cb -0.02 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 3nix s VAL 291 CO 0.03 -0.44 0.06 -0.76 -3.33 0.00 0.00 175.10 170.66 3nix s LEU 292 N -2.10 3.55 0.00 2.54 1.43 0.19 -1.36 118.68 122.93 3nix s LEU 292 Ca 0.01 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3nix s LEU 292 Cb -0.06 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 3nix s LEU 292 CO 0.01 0.09 0.06 0.35 0.23 0.00 0.00 176.35 177.08 3nix n THR 293 N -0.15 0.00 0.00 5.49 -2.24 -0.96 -4.83 114.28 111.59 3nix n THR 293 Ca -0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3nix n THR 293 Cb 0.55 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3nix n THR 293 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nix n GLY 294 N -0.03 0.95 0.00 3.38 0.00 -1.26 -1.51 105.19 106.72 3nix n GLY 294 Ca 0.01 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.65 0.00 -0.13 1.61 4.13 -1.26 -1.56 115.26 117.40 3nix n ASN 295 Ca 0.00 -0.55 0.15 0.00 1.68 0.00 0.00 54.58 55.85 3nix n ASN 295 Cb 0.00 -0.09 0.72 0.00 -1.54 0.00 0.00 39.78 38.88 3nix n ASN 295 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nix n ALA 296 N -1.09 2.68 -1.90 5.41 0.00 -0.57 -4.56 120.51 120.49 3nix n ALA 296 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3nix n ALA 296 Cb 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.80 0.00 -4.03 0.00 -1.04 -0.57 -4.65 114.28 103.19 3nix n THR 297 Ca 0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.02 3nix n THR 297 Cb 0.23 -0.18 -0.16 0.00 -1.82 0.00 0.00 70.33 68.40 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 0.53 0.46 -0.08 -2.82 2.12 -1.26 -3.53 118.70 114.11 3nix s GLU 298 Ca 0.00 -0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.32 3nix s GLU 298 Cb 0.00 -0.55 -0.03 0.00 0.26 0.00 0.00 34.13 33.82 3nix s GLU 298 CO 0.00 -0.07 -0.09 0.12 -0.54 0.00 0.00 175.26 174.68 3nix s PHE 299 N 0.75 2.87 0.00 5.30 5.36 -0.99 -4.86 117.98 126.42 3nix s PHE 299 Ca -0.08 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 3nix s PHE 299 Cb -0.11 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3nix s PHE 299 CO -0.01 0.16 0.00 1.28 -1.46 0.00 0.00 175.22 175.20 3nix n LEU 300 N 2.62 1.14 -3.59 6.12 4.77 -1.26 -3.30 117.00 123.49 3nix n LEU 300 Ca -0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3nix n LEU 300 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 3nix n LEU 300 CO 0.28 0.00 0.77 -0.62 -1.33 0.00 0.00 177.39 176.49 3nix s ASP 301 N -1.00 -0.39 0.00 -1.43 2.15 -1.26 -4.49 116.67 110.25 3nix s ASP 301 Ca 0.00 0.51 0.24 0.00 0.43 0.00 0.00 52.55 53.73 3nix s ASP 301 Cb 0.00 0.43 1.33 0.00 -0.30 0.00 0.00 42.92 44.39 3nix s ASP 301 CO 0.00 -0.30 1.81 -0.81 -0.17 0.00 0.00 175.17 175.70 3nix n PRO 302 N 1.07 0.56 -1.88 4.34 -0.04 -1.26 -4.67 135.00 133.12 3nix n PRO 302 Ca -0.11 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 3nix n PRO 302 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 3nix n PRO 302 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3nix s ILE 303 N -2.28 2.36 0.00 0.52 1.10 -1.26 -1.38 121.20 120.26 3nix s ILE 303 Ca 0.30 0.29 0.00 0.00 -0.51 0.00 0.00 60.65 60.73 3nix s ILE 303 Cb 0.16 -3.19 0.00 0.00 0.15 0.00 0.00 42.46 39.59 3nix s ILE 303 CO 0.32 0.04 0.00 0.49 -2.11 0.00 0.00 174.94 173.68 3nix n PHE 304 N 2.52 0.00 -3.78 3.50 3.72 -1.26 -4.61 117.46 117.55 3nix n PHE 304 Ca 0.09 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.20 3nix n PHE 304 Cb 0.38 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.93 3nix n PHE 304 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3nix n SER 305 N 0.00 -5.01 -0.01 4.37 3.41 -0.48 -4.93 113.62 110.97 3nix n SER 305 Ca 0.00 -0.97 0.06 0.00 -0.26 0.00 0.00 58.87 57.70 3nix n SER 305 Cb 0.00 -2.18 -0.11 0.00 -0.26 0.00 0.00 64.21 61.66 3nix n SER 305 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3nix n SER 306 N -2.44 1.60 -0.31 4.04 3.41 -1.26 -4.62 113.62 114.05 3nix n SER 306 Ca -0.22 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.54 3nix n SER 306 Cb 0.64 1.61 0.33 0.00 -0.26 0.00 0.00 64.21 66.52 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 2.72 1.56 2.00 5.00 0.00 -1.91 0.17 103.07 112.60 3nix h GLY 307 Ca -0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3nix h GLY 307 CO 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 176.54 175.80 3nix h ALA 308 N 1.76 0.77 -0.10 3.60 0.00 -1.89 0.10 119.26 123.49 3nix h ALA 308 Ca 0.58 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3nix h ALA 308 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3nix h ALA 308 CO -0.59 0.50 -0.26 1.15 0.00 0.00 0.00 179.25 180.05 3nix h THR 309 N 0.00 1.40 -0.82 0.00 2.02 -1.08 -3.22 112.91 111.21 3nix h THR 309 Ca -0.00 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 3nix h THR 309 Cb 1.24 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 69.77 3nix h THR 309 CO 0.05 0.46 0.45 -0.26 0.37 0.00 0.00 175.52 176.59 3nix h PHE 310 N -0.09 1.12 0.00 3.16 0.04 -0.62 0.13 116.94 120.68 3nix h PHE 310 Ca -0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3nix h PHE 310 Cb 0.87 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3nix h PHE 310 CO 0.11 0.78 0.00 0.00 -0.60 0.00 0.00 178.31 178.60 3nix n ALA 311 N -2.42 1.28 0.00 2.45 0.00 -0.01 0.84 120.51 122.66 3nix n ALA 311 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3nix n ALA 311 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.56 0.00 -0.09 0.00 4.07 0.46 -0.37 120.64 125.27 3nix n GLU 313 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 3nix n GLU 313 Cb 0.04 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.51 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 0.79 -0.25 4.31 4.64 0.20 -1.63 113.55 121.61 3nix h SER 314 Ca 0.00 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3nix h SER 314 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3nix h SER 314 CO 0.00 0.97 0.08 1.23 -0.87 0.00 0.00 176.83 178.24 3nix h GLY 315 N 0.96 0.43 0.84 -0.77 0.00 -0.91 -1.83 103.07 101.79 3nix h GLY 315 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3nix h GLY 315 CO 0.05 0.24 -0.29 0.23 0.00 0.00 0.00 176.54 176.78 3nix h SER 316 N 0.25 -0.73 -0.48 0.19 0.87 -1.76 0.26 113.55 112.14 3nix h SER 316 Ca 0.08 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3nix h SER 316 Cb 0.24 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3nix h SER 316 CO -0.00 -0.45 0.21 0.11 -0.53 0.00 0.00 176.83 176.17 3nix h LYS 317 N -0.70 0.71 -0.26 2.24 1.79 -1.32 -0.19 116.57 118.84 3nix h LYS 317 Ca -0.05 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.18 3nix h LYS 317 Cb 0.58 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3nix h LYS 317 CO 0.04 0.62 -0.34 0.78 -1.08 0.00 0.00 179.45 179.46 3nix h GLY 318 N 0.64 0.62 0.94 3.86 0.00 -1.21 -0.32 103.07 107.60 3nix h GLY 318 Ca 0.16 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.94 3nix h GLY 318 CO -0.02 0.52 0.55 -1.33 0.00 0.00 0.00 176.54 176.27 3nix h GLY 319 N 1.04 1.21 0.53 4.60 0.00 -0.20 0.84 103.07 111.09 3nix h GLY 319 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3nix h GLY 319 CO 0.07 0.40 -0.07 0.50 0.00 0.00 0.00 176.54 177.43 3nix h LYS 320 N 1.11 -0.19 0.00 4.80 1.57 -0.23 -2.99 116.57 120.64 3nix h LYS 320 Ca 0.32 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 3nix h LYS 320 Cb -0.06 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3nix h LYS 320 CO -0.09 0.22 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.82 3nix h LEU 321 N -0.67 0.00 -1.26 2.94 3.38 -1.10 -0.97 115.31 117.63 3nix h LEU 321 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3nix h LEU 321 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3nix h LEU 321 CO 0.03 0.13 -0.27 0.00 0.09 0.00 0.00 178.44 178.42 3nix h ALA 322 N 1.87 1.38 -0.02 1.53 0.00 -0.81 -1.41 119.26 121.80 3nix h ALA 322 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3nix h ALA 322 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3nix h ALA 322 CO 0.02 0.44 -0.08 0.28 0.00 0.00 0.00 179.25 179.90 3nix h VAL 323 N 0.15 1.48 -1.00 0.00 2.07 -1.05 -1.88 116.25 116.02 3nix h VAL 323 Ca 0.02 -1.54 0.22 0.00 0.82 0.00 0.00 66.70 66.22 3nix h VAL 323 Cb 0.56 2.45 -0.10 0.00 -1.52 0.00 0.00 31.29 32.68 3nix h VAL 323 CO 0.04 0.41 0.62 1.56 0.02 0.00 0.00 177.57 180.23 3nix h GLN 324 N -0.50 0.55 0.17 1.57 1.08 -1.33 -0.75 115.11 115.91 3nix h GLN 324 Ca -0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3nix h GLN 324 Cb 0.72 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3nix h GLN 324 CO 0.02 0.37 -0.08 0.35 -0.95 0.00 0.00 178.83 178.53 3nix h PHE 325 N 0.57 -0.22 -0.11 2.96 3.57 -1.00 -1.24 116.94 121.47 3nix h PHE 325 Ca 0.58 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 3nix h PHE 325 Cb 1.17 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3nix h PHE 325 CO -0.00 -0.02 0.02 -0.07 -2.23 0.00 0.00 178.31 176.01 3nix h LEU 326 N -0.38 0.14 0.00 0.59 3.38 -0.40 -0.71 115.31 117.93 3nix h LEU 326 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3nix h LEU 326 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3nix h LEU 326 CO 0.04 0.15 0.00 0.29 0.09 0.00 0.00 178.44 179.01 3nix n LYS 327 N -4.46 0.56 -0.39 1.13 5.02 -0.41 -4.84 118.16 114.77 3nix n LYS 327 Ca -0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3nix n LYS 327 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.40 1.76 3.69 0.72 0.00 -0.27 -5.03 105.19 106.45 3nix n GLY 328 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.17 1.23 -0.05 1.61 0.41 -0.48 -4.98 118.70 116.28 3nix s GLU 329 Ca 0.00 1.57 -0.19 0.00 -0.41 0.00 0.00 54.97 55.93 3nix s GLU 329 Cb 0.00 -1.75 -0.05 0.00 -1.78 0.00 0.00 34.13 30.55 3nix s GLU 329 CO 0.00 -2.48 0.54 -2.00 -0.49 0.00 0.00 175.26 170.83 3nix s GLU 330 N -4.56 4.30 -0.10 1.61 2.12 -1.26 -4.45 118.70 116.35 3nix s GLU 330 Ca 0.68 0.62 0.03 0.00 0.36 0.00 0.00 54.97 56.65 3nix s GLU 330 Cb -0.23 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 3nix s GLU 330 CO 0.56 0.30 -0.21 0.08 -0.54 0.00 0.00 175.26 175.46 3nix s VAL 331 N 0.09 2.38 -0.81 3.70 1.01 -1.26 -5.00 120.40 120.50 3nix s VAL 331 Ca 0.29 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 3nix s VAL 331 Cb -0.17 -1.93 0.21 0.00 0.00 0.00 0.00 36.38 34.49 3nix s VAL 331 CO 0.14 0.55 0.75 0.21 0.00 0.00 0.00 175.10 176.76 3nix s ASN 332 N 0.23 6.73 0.12 3.32 3.84 -1.26 -4.90 114.94 123.02 3nix s ASN 332 Ca -0.13 -2.64 -0.14 0.00 0.21 0.00 0.00 52.86 50.16 3nix s ASN 332 Cb -0.17 -2.21 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 3nix s ASN 332 CO 0.07 -0.59 1.52 -0.50 -2.79 0.00 0.00 177.10 174.81 3nix h TRP 333 N 7.84 0.84 -0.65 0.43 4.06 -1.97 0.32 115.95 126.83 3nix h TRP 333 Ca 0.08 -0.19 0.13 0.00 2.06 0.00 0.00 58.89 60.97 3nix h TRP 333 Cb 1.04 -0.20 -0.10 0.00 -1.00 0.00 0.00 29.16 28.91 3nix h TRP 333 CO 1.02 0.90 0.13 1.49 -3.56 0.00 0.00 178.44 178.42 3nix h GLU 334 N 0.55 0.24 0.12 0.49 4.57 -1.96 -0.07 114.58 118.52 3nix h GLU 334 Ca 0.09 -0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.92 3nix h GLU 334 Cb 0.64 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3nix h GLU 334 CO 0.04 0.16 -1.83 -0.22 -1.18 0.00 0.00 179.01 175.99 3nix h LYS 335 N 0.25 0.26 0.00 1.92 3.64 -1.91 -1.62 116.57 119.11 3nix h LYS 335 Ca 0.35 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3nix h LYS 335 Cb 0.54 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3nix h LYS 335 CO -0.45 1.21 -0.62 -0.25 -2.27 0.00 0.00 179.45 177.08 3nix n ASP 336 N -3.64 0.58 0.05 4.20 8.00 0.11 -3.94 116.55 121.91 3nix n ASP 336 Ca -0.30 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 54.90 3nix n ASP 336 Cb 1.00 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 3nix n ASP 336 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3nix n PHE 337 N -1.60 -0.16 0.44 1.24 7.35 -0.17 -4.74 117.46 119.82 3nix n PHE 337 Ca 0.05 0.03 -0.19 0.00 -0.76 0.00 0.00 57.45 56.57 3nix n PHE 337 Cb 0.35 0.04 -0.09 0.00 0.35 0.00 0.00 39.48 40.13 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 0.18 -0.96 -2.13 2.07 -1.25 -3.06 116.25 111.11 3nix h VAL 338 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3nix h VAL 338 Cb 0.00 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 3nix h VAL 338 CO 0.00 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.83 3nix h GLU 339 N -1.11 0.78 -4.26 1.57 5.08 -1.44 -3.40 114.58 111.79 3nix h GLU 339 Ca -0.11 -0.05 -0.40 0.00 -1.00 0.00 0.00 59.36 57.80 3nix h GLU 339 Cb 0.86 -0.18 0.06 0.00 0.50 0.00 0.00 28.75 29.99 3nix h GLU 339 CO 0.18 0.52 1.78 1.58 -1.00 0.00 0.00 179.01 182.07 3nix n HIS 340 N -4.74 0.76 0.00 4.33 -0.00 -1.16 -4.69 115.22 109.71 3nix n HIS 340 Ca 0.20 -1.14 0.00 0.00 0.46 0.00 0.00 57.72 57.23 3nix n HIS 340 Cb 0.45 -1.15 0.00 0.00 -0.12 0.00 0.00 29.99 29.17 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 6.12 0.00 -0.09 1.57 -0.06 -1.26 -4.75 117.38 118.90 3nix n GLN 343 Ca 0.35 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 55.22 3nix n GLN 343 Cb 0.24 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.38 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 0.64 1.99 1.69 0.00 -1.84 -2.22 103.07 103.33 3nix h GLY 344 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 3nix h GLY 344 CO 0.00 0.54 -0.48 -2.22 0.00 0.00 0.00 176.54 174.39 3nix h ILE 345 N 0.32 1.34 -0.00 2.60 1.08 -1.93 -1.88 117.51 119.03 3nix h ILE 345 Ca 0.06 -1.63 -0.22 0.00 -0.39 0.00 0.00 64.86 62.67 3nix h ILE 345 Cb 0.70 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 3nix h ILE 345 CO 0.05 0.47 -0.93 0.44 -0.69 0.00 0.00 178.15 177.49 3nix h ASP 346 N 0.01 0.51 0.82 1.72 3.32 -1.97 -1.07 116.42 119.75 3nix h ASP 346 Ca -0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 3nix h ASP 346 Cb 0.84 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.24 3nix h ASP 346 CO 0.06 1.20 -0.43 0.74 -1.72 0.00 0.00 179.24 179.10 3nix h THR 347 N 0.22 0.00 -0.95 0.35 2.02 -1.06 -2.52 112.91 110.97 3nix h THR 347 Ca -0.07 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.26 3nix h THR 347 Cb 1.56 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 3nix h THR 347 CO 0.16 0.00 0.60 -0.26 0.37 0.00 0.00 175.52 176.39 3nix h PHE 348 N -1.14 0.95 -0.21 3.16 0.04 -1.41 -2.31 116.94 116.01 3nix h PHE 348 Ca -0.11 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.72 3nix h PHE 348 Cb 0.89 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 38.67 3nix h PHE 348 CO -0.00 0.32 -0.54 -0.09 -0.60 0.00 0.00 178.31 177.40 3nix h ARG 349 N 0.77 -0.51 -0.39 1.51 2.43 -1.02 0.43 114.38 117.61 3nix h ARG 349 Ca 0.49 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.81 3nix h ARG 349 Cb 0.74 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3nix h ARG 349 CO -0.26 -0.34 0.32 0.77 -1.51 0.00 0.00 179.97 178.96 3nix h SER 350 N -0.53 0.00 0.55 -3.80 0.02 -0.99 0.17 113.55 108.98 3nix h SER 350 Ca 0.05 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.71 3nix h SER 350 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3nix h SER 350 CO -0.48 0.00 -1.46 -0.26 -1.14 0.00 0.00 176.83 173.49 3nix h PHE 351 N 0.00 0.34 -0.05 3.45 -1.00 -0.52 -1.30 116.94 117.85 3nix h PHE 351 Ca 0.18 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 3nix h PHE 351 Cb 0.83 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.37 3nix h PHE 351 CO 0.00 1.28 0.02 0.28 -1.61 0.00 0.00 178.31 178.28 3nix h VAL 352 N 0.05 1.13 -0.13 -0.55 2.07 0.95 0.14 116.25 119.91 3nix h VAL 352 Ca -0.21 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3nix h VAL 352 Cb 1.98 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 3nix h VAL 352 CO 0.15 0.11 -0.13 0.74 0.02 0.00 0.00 177.57 178.45 3nix h THR 353 N -0.06 0.63 -0.70 2.57 2.02 -0.75 -1.59 112.91 115.02 3nix h THR 353 Ca 0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.28 3nix h THR 353 Cb 0.15 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3nix h THR 353 CO -0.00 0.00 0.46 1.23 0.37 0.00 0.00 175.52 177.58 3nix h GLY 354 N -0.16 0.87 0.81 2.16 0.00 -1.16 -1.74 103.07 103.86 3nix h GLY 354 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.18 3nix h GLY 354 CO -0.23 0.17 0.02 -0.25 0.00 0.00 0.00 176.54 176.25 3nix h TRP 355 N 0.64 0.04 -0.01 5.60 2.91 0.25 -1.14 115.95 124.24 3nix h TRP 355 Ca 0.32 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.35 3nix h TRP 355 Cb 0.40 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.05 3nix h TRP 355 CO -0.00 0.01 -0.17 0.66 -1.03 0.00 0.00 178.44 177.91 3nix n TYR 356 N -5.10 0.00 0.02 2.65 4.01 -0.92 -4.01 117.16 113.81 3nix n TYR 356 Ca -0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.77 3nix n TYR 356 Cb 0.08 -0.14 0.15 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.74 2.85 0.00 7.72 5.68 -0.69 -4.98 116.55 126.39 3nix n ASP 357 Ca 0.14 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 3nix n ASP 357 Cb 0.31 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3nix n ASP 357 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3nix n GLY 358 N 0.76 2.36 0.28 6.12 0.00 -1.23 -4.86 105.19 108.62 3nix n GLY 358 Ca 0.12 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 0.62 -0.33 2.61 1.35 -1.89 -2.01 112.91 113.26 3nix h THR 359 Ca 0.00 -0.14 -0.17 0.00 -0.55 0.00 0.00 66.41 65.55 3nix h THR 359 Cb 0.00 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 66.60 3nix h THR 359 CO 0.00 0.07 -0.45 0.25 -0.25 0.00 0.00 175.52 175.15 3nix h LEU 360 N 0.41 0.93 -1.18 3.87 5.85 -1.51 -2.91 115.31 120.77 3nix h LEU 360 Ca 0.42 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3nix h LEU 360 Cb 0.66 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3nix h LEU 360 CO -0.43 1.24 0.31 0.45 -0.34 0.00 0.00 178.44 179.67 3nix h HIS 361 N 0.69 0.87 -0.86 1.25 3.86 -1.58 -1.63 115.15 117.75 3nix h HIS 361 Ca 0.04 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 3nix h HIS 361 Cb 1.03 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.17 3nix h HIS 361 CO 0.06 0.63 0.57 0.00 0.86 0.00 0.00 177.93 180.05 3nix h ALA 362 N 1.46 1.51 -0.15 2.45 0.00 -1.20 0.35 119.26 123.67 3nix h ALA 362 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3nix h ALA 362 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3nix h ALA 362 CO -0.03 0.38 -0.18 0.28 0.00 0.00 0.00 179.25 179.70 3nix h VAL 363 N 1.02 1.35 -0.57 0.00 2.07 -1.31 -2.11 116.25 116.70 3nix h VAL 363 Ca 0.36 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3nix h VAL 363 Cb 0.12 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3nix h VAL 363 CO -0.12 0.40 0.24 -0.26 0.02 0.00 0.00 177.57 177.85 3nix h PHE 364 N 0.02 0.87 -0.37 1.57 0.04 -0.54 -3.18 116.94 115.36 3nix h PHE 364 Ca 0.02 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3nix h PHE 364 Cb 0.73 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3nix h PHE 364 CO 0.09 0.70 0.00 1.19 -0.60 0.00 0.00 178.31 179.68 3nix n PHE 365 N -4.49 0.47 -1.67 -0.55 3.72 0.04 -4.71 117.46 110.26 3nix n PHE 365 Ca 0.03 -0.25 -0.47 0.00 -0.05 0.00 0.00 57.45 56.71 3nix n PHE 365 Cb 0.16 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 3nix n PHE 365 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nix n ALA 366 N 1.42 1.08 -1.71 4.37 0.00 -0.79 -4.89 120.51 119.99 3nix n ALA 366 Ca 0.18 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.59 3nix n ALA 366 Cb 0.59 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 3nix n ALA 366 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3nix n LYS 367 N 4.35 2.44 -3.32 0.00 4.81 -1.26 -2.74 118.16 122.44 3nix n LYS 367 Ca 0.19 0.87 -0.11 0.00 -0.87 0.00 0.00 58.31 58.39 3nix n LYS 367 Cb 0.28 -2.62 0.01 0.00 0.02 0.00 0.00 35.03 32.72 3nix n LYS 367 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3nix n ASN 368 N 2.54 -6.71 -4.77 3.14 3.02 -1.26 -4.90 115.26 106.32 3nix n ASN 368 Ca 0.11 -0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 53.82 3nix n ASN 368 Cb 0.34 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 35.24 3nix n ASN 368 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3nix s PRO 369 N -3.98 3.82 -0.06 3.52 0.04 -1.11 -4.93 135.00 132.31 3nix s PRO 369 Ca 0.12 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 3nix s PRO 369 Cb -0.03 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 3nix s PRO 369 CO 0.80 -0.54 1.96 0.34 0.04 0.00 0.00 177.00 179.59 3nix s ASP 370 N -1.16 6.23 0.24 6.66 -1.08 -1.26 -4.89 116.67 121.42 3nix s ASP 370 Ca 0.61 2.34 -0.06 0.00 -0.52 0.00 0.00 52.55 54.92 3nix s ASP 370 Cb -0.32 -2.53 0.30 0.00 -1.46 0.00 0.00 42.92 38.92 3nix s ASP 370 CO 0.39 -1.27 1.87 1.55 0.52 0.00 0.00 175.17 178.23 3nix h PRO 371 N 11.53 1.03 -0.43 4.34 0.13 -1.99 0.33 132.00 146.95 3nix h PRO 371 Ca -0.45 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 3nix h PRO 371 Cb 1.22 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3nix h PRO 371 CO 0.95 0.68 0.14 -0.44 -0.23 0.00 0.00 178.00 179.11 3nix h ASP 372 N 1.06 0.62 -0.70 1.44 3.32 -1.99 -0.81 116.42 119.37 3nix h ASP 372 Ca 0.37 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3nix h ASP 372 Cb 0.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3nix h ASP 372 CO -0.14 0.66 0.17 0.45 -1.72 0.00 0.00 179.24 178.65 3nix h HIS 373 N 0.56 1.18 -0.60 4.55 3.86 -1.56 -2.03 115.15 121.11 3nix h HIS 373 Ca 0.14 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3nix h HIS 373 Cb 0.25 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.33 3nix h HIS 373 CO 0.01 0.96 0.31 -0.22 0.86 0.00 0.00 177.93 179.85 3nix h LYS 374 N 1.07 0.57 0.00 2.45 1.63 -0.15 0.82 116.57 122.95 3nix h LYS 374 Ca 0.22 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3nix h LYS 374 Cb 0.38 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3nix h LYS 374 CO 0.00 0.38 0.00 0.54 -3.45 0.00 0.00 179.45 176.92 3nix n ARG 375 N -4.85 0.00 0.00 1.90 1.74 -0.33 0.48 116.66 115.60 3nix n ARG 375 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3nix n ARG 375 Cb 0.17 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.36 0.00 -0.21 0.55 5.41 0.28 -1.93 119.36 123.83 3nix n ILE 377 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3nix n ILE 377 Cb 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 38.97 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 0.97 0.27 -0.08 0.00 0.02 -1.65 -2.64 113.55 110.44 3nix h SER 379 Ca 0.17 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3nix h SER 379 Cb 0.54 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3nix h SER 379 CO 0.03 0.35 0.01 0.58 -1.14 0.00 0.00 176.83 176.66 3nix h VAL 380 N 0.29 1.23 -0.39 2.27 2.07 -1.56 -1.45 116.25 118.70 3nix h VAL 380 Ca 0.07 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.99 3nix h VAL 380 Cb 0.25 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3nix h VAL 380 CO 0.01 0.20 0.45 -0.07 0.02 0.00 0.00 177.57 178.17 3nix h LEU 381 N -0.11 0.00 -0.51 2.57 3.38 -1.18 -1.18 115.31 118.28 3nix h LEU 381 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3nix h LEU 381 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3nix h LEU 381 CO 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.29 3nix n ALA 382 N -2.31 3.04 0.00 1.53 0.00 -1.00 -4.88 120.51 116.89 3nix n ALA 382 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3nix n ALA 382 Cb 0.62 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.33 0.69 2.45 0.00 0.00 -0.44 -1.34 105.19 107.88 3nix n GLY 383 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 1.93 0.68 1.61 4.01 -0.58 -4.47 117.16 118.36 3nix n TYR 384 Ca 0.00 -2.32 0.06 0.00 -0.16 0.00 0.00 57.90 55.48 3nix n TYR 384 Cb 0.00 -1.62 0.17 0.00 -0.31 0.00 0.00 39.34 37.58 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 1.43 0.64 -0.10 -0.72 0.24 -1.26 -3.09 118.33 115.47 3nix n VAL 385 Ca 0.55 -0.54 0.07 0.00 -2.04 0.00 0.00 64.34 62.39 3nix n VAL 385 Cb 0.44 0.15 0.17 0.00 -1.47 0.00 0.00 33.84 33.13 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 0.56 0.49 -3.08 6.34 8.01 -1.26 -4.21 117.44 124.27 3nix n TRP 386 Ca 0.13 -0.43 -0.45 0.00 -1.31 0.00 0.00 57.50 55.45 3nix n TRP 386 Cb 0.38 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.31 29.63 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 -1.02 6.36 0.03 -0.99 -1.08 -1.18 -4.90 116.67 113.89 3nix s ASP 387 Ca 0.27 -1.70 0.20 0.00 -0.52 0.00 0.00 52.55 50.79 3nix s ASP 387 Cb 0.14 -2.32 0.84 0.00 -1.46 0.00 0.00 42.92 40.13 3nix s ASP 387 CO 0.19 -1.06 1.64 0.29 0.52 0.00 0.00 175.17 176.75 3nix n LYS 388 N 6.16 0.03 0.19 4.34 4.76 -1.26 -1.78 118.16 130.59 3nix n LYS 388 Ca 0.01 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.73 3nix n LYS 388 Cb 0.45 -1.54 0.13 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.77 4.39 2.35 -1.99 -3.40 115.58 114.15 3nix h ASN 389 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3nix h ASN 389 Cb 0.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3nix h ASN 389 CO 0.00 0.14 1.14 0.21 -1.65 0.00 0.00 177.43 177.27 3nix s ASN 390 N -6.25 6.34 0.47 5.81 3.84 -0.74 -4.92 114.94 119.49 3nix s ASN 390 Ca 0.06 1.57 0.19 0.00 0.21 0.00 0.00 52.86 54.89 3nix s ASN 390 Cb 0.06 -2.53 1.15 0.00 -0.55 0.00 0.00 41.25 39.37 3nix s ASN 390 CO 0.69 -1.30 2.00 -0.65 -2.79 0.00 0.00 177.10 175.06 3nix h PRO 391 N 10.91 0.00 0.00 0.43 0.11 -1.85 0.16 132.00 141.75 3nix h PRO 391 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3nix h PRO 391 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3nix h PRO 391 CO 1.01 0.18 0.00 1.19 -0.21 0.00 0.00 178.00 180.17 3nix n PHE 392 N -4.03 0.77 -0.10 0.65 3.01 -1.26 -0.59 117.46 115.91 3nix n PHE 392 Ca -0.02 0.26 -0.23 0.00 1.01 0.00 0.00 57.45 58.47 3nix n PHE 392 Cb 0.26 -0.92 -0.12 0.00 -0.01 0.00 0.00 39.48 38.69 3nix n PHE 392 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3nix n VAL 393 N -2.16 1.58 -0.19 -4.37 0.31 -0.83 -3.45 118.33 109.22 3nix n VAL 393 Ca 0.04 -0.38 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3nix n VAL 393 Cb 0.32 -1.80 0.09 0.00 -0.91 0.00 0.00 33.84 31.54 3nix n VAL 393 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3nix h LYS 394 N -0.56 0.11 -0.97 5.55 1.63 -0.53 -3.09 116.57 118.72 3nix h LYS 394 Ca -0.52 -0.01 -0.58 0.00 -0.85 0.00 0.00 60.65 58.69 3nix h LYS 394 Cb 1.68 -0.03 -0.40 0.00 -0.60 0.00 0.00 32.23 32.88 3nix h LYS 394 CO -0.19 0.08 -0.52 1.63 -3.45 0.00 0.00 179.45 177.00 3nix n LYS 395 N -5.27 3.43 -0.15 1.90 5.02 0.25 -4.87 118.16 118.48 3nix n LYS 395 Ca 0.08 -4.10 -0.06 0.00 -2.02 0.00 0.00 58.31 52.21 3nix n LYS 395 Cb 0.33 -2.28 0.11 0.00 -0.02 0.00 0.00 35.03 33.17 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 2.26 0.96 0.00 2.13 2.07 -1.56 0.40 115.15 121.41 3nix h HIS 396 Ca 0.39 -0.15 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 3nix h HIS 396 Cb 1.28 -0.26 0.00 0.00 2.57 0.00 0.00 27.41 31.00 3nix h HIS 396 CO 0.93 0.88 0.00 0.27 -3.07 0.00 0.00 177.93 176.94 3nix n ASN 397 N -4.19 0.00 0.01 3.10 0.23 -1.26 -3.96 115.26 109.18 3nix n ASN 397 Ca 0.03 -0.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 3nix n ASN 397 Cb 0.32 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 -1.24 0.16 -0.10 5.53 -1.04 -0.86 -4.87 114.28 111.85 3nix n THR 398 Ca 0.12 0.05 0.26 0.00 -2.04 0.00 0.00 64.05 62.43 3nix n THR 398 Cb 0.16 -1.48 0.72 0.00 -1.82 0.00 0.00 70.33 67.91 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 0.55 -0.02 12.58 6.09 -0.36 -2.04 117.51 134.32 3nix h ILE 399 Ca 0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 3nix h ILE 399 Cb 0.84 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.73 3nix h ILE 399 CO 0.00 0.00 -0.16 -0.07 -3.07 0.00 0.00 178.15 174.85 3nix h LEU 400 N 0.00 0.17 -1.30 2.19 3.38 -1.81 0.72 115.31 118.66 3nix h LEU 400 Ca 0.35 -0.72 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 3nix h LEU 400 Cb 1.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3nix h LEU 400 CO -0.00 0.86 -0.12 0.11 0.09 0.00 0.00 178.44 179.38 3nix h LYS 401 N -0.51 0.33 0.26 1.13 1.57 -1.73 -1.51 116.57 116.11 3nix h LYS 401 Ca -0.02 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3nix h LYS 401 Cb 0.87 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3nix h LYS 401 CO 0.03 0.46 -0.13 1.15 -0.57 0.00 0.00 179.45 180.39 3nix h THR 402 N 0.31 0.77 -0.11 -0.16 2.02 -1.40 -3.06 112.91 111.28 3nix h THR 402 Ca 0.06 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.61 3nix h THR 402 Cb 0.41 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3nix h THR 402 CO 0.02 0.13 -0.06 0.25 0.37 0.00 0.00 175.52 176.23 3nix h LEU 403 N -0.72 -0.20 -0.96 2.58 7.12 -0.70 -1.59 115.31 120.84 3nix h LEU 403 Ca -0.04 0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.21 3nix h LEU 403 Cb 0.49 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.62 3nix h LEU 403 CO 0.06 -0.08 0.55 0.00 -0.13 0.00 0.00 178.44 178.84 3nix h ALA 404 N 1.04 1.57 -0.41 1.25 0.00 -1.38 0.33 119.26 121.66 3nix h ALA 404 Ca 0.06 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3nix h ALA 404 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3nix h ALA 404 CO -0.15 -0.09 -0.16 -0.22 0.00 0.00 0.00 179.25 178.63 3nix h LYS 405 N 0.70 0.83 -0.55 0.00 1.63 -1.23 -1.89 116.57 116.05 3nix h LYS 405 Ca 0.55 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 3nix h LYS 405 Cb 0.87 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 3nix h LYS 405 CO -0.39 0.98 0.08 0.28 -3.45 0.00 0.00 179.45 176.95 3nix h VAL 406 N 0.64 1.24 -0.05 2.00 2.07 0.40 -2.94 116.25 119.61 3nix h VAL 406 Ca 0.09 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3nix h VAL 406 Cb 0.71 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3nix h VAL 406 CO 0.05 0.34 -0.09 0.40 0.02 0.00 0.00 177.57 178.30 3nix h ILE 407 N 0.84 0.76 0.00 4.57 2.04 -0.40 -0.01 117.51 125.31 3nix h ILE 407 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3nix h ILE 407 Cb 0.38 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3nix h ILE 407 CO 0.01 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.83 3nix n GLN 408 N -5.22 0.06 0.00 2.37 7.27 -0.74 -1.94 117.38 119.19 3nix n GLN 408 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 3nix n GLN 408 Cb 0.14 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.39 3nix n GLN 408 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nix n GLY 410 N 0.90 0.00 0.20 1.69 0.00 -0.02 -1.27 105.19 106.69 3nix n GLY 410 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.31 -0.94 1.61 5.08 -1.65 -2.93 114.58 116.05 3nix h GLU 411 Ca 0.00 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3nix h GLU 411 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3nix h GLU 411 CO 0.00 0.69 0.59 0.93 -1.00 0.00 0.00 179.01 180.23 3nix h GLU 412 N 0.25 1.05 0.00 2.33 5.08 -1.47 -3.55 114.58 118.27 3nix h GLU 412 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3nix h GLU 412 Cb 0.88 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3nix h GLU 412 CO 0.07 0.69 0.00 0.00 -1.00 0.00 0.00 179.01 178.78