#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nix s VAL 6 N 0.00 1.24 -0.01 0.58 -7.23 0.32 -4.95 120.40 110.35 3nix s VAL 6 Ca 0.00 -2.06 -0.23 0.00 -1.81 0.00 0.00 61.98 57.88 3nix s VAL 6 Cb 0.00 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.37 3nix s VAL 6 CO 0.00 -0.29 1.07 0.44 -0.31 0.00 0.00 175.10 176.01 3nix h ASP 7 N 2.38 -0.42 -3.31 4.85 3.32 -1.25 -3.19 116.42 118.80 3nix h ASP 7 Ca -0.39 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 55.94 3nix h ASP 7 Cb 1.23 0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.54 3nix h ASP 7 CO 0.66 -0.01 -0.83 -0.69 -1.72 0.00 0.00 179.24 176.65 3nix s VAL 8 N -4.27 1.45 -0.26 -1.35 1.01 -0.32 -0.56 120.40 116.12 3nix s VAL 8 Ca -0.13 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3nix s VAL 8 Cb 0.02 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3nix s VAL 8 CO 0.47 0.43 0.12 -0.22 0.00 0.00 0.00 175.10 175.90 3nix s LEU 9 N 0.86 3.70 -0.27 3.92 2.96 0.11 -2.43 118.68 127.53 3nix s LEU 9 Ca -0.10 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 3nix s LEU 9 Cb -0.15 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3nix s LEU 9 CO 0.01 -0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 3nix s VAL 10 N 1.60 4.69 -0.75 1.68 1.01 -0.34 -0.80 120.40 127.48 3nix s VAL 10 Ca 0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 3nix s VAL 10 Cb -0.15 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 33.10 3nix s VAL 10 CO 0.06 0.26 0.91 -0.63 0.00 0.00 0.00 175.10 175.70 3nix s ILE 11 N 1.66 4.80 0.00 2.22 1.01 -0.26 -1.59 121.20 129.03 3nix s ILE 11 Ca 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3nix s ILE 11 Cb -0.16 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.69 3nix s ILE 11 CO 0.06 -1.31 0.00 0.61 0.00 0.00 0.00 174.94 174.30 3nix n GLY 12 N 5.19 3.62 2.05 6.18 0.00 -1.02 -0.66 105.19 120.56 3nix n GLY 12 Ca 0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 3nix n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nix n ALA 13 N 0.00 5.30 -1.79 4.61 0.00 -1.26 -3.59 120.51 123.78 3nix n ALA 13 Ca 0.00 -2.49 -0.18 0.00 0.00 0.00 0.00 53.44 50.77 3nix n ALA 13 Cb 0.00 -1.45 0.17 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.69 -1.40 0.37 0.00 0.00 -1.26 -4.73 105.19 97.48 3nix n GLY 14 Ca 0.49 -1.71 0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 0.06 1.61 0.11 -1.92 -1.53 132.00 130.33 3nix h PRO 15 Ca -0.36 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.57 3nix h PRO 15 Cb 1.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.12 3nix h PRO 15 CO 0.26 0.00 -0.75 0.00 -0.21 0.00 0.00 178.00 177.30 3nix h ALA 16 N 1.73 0.01 -0.54 -0.75 0.00 -1.88 -2.93 119.26 114.89 3nix h ALA 16 Ca 0.21 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3nix h ALA 16 Cb 0.91 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3nix h ALA 16 CO -0.00 0.40 0.30 0.78 0.00 0.00 0.00 179.25 180.73 3nix h GLY 17 N -0.14 0.81 1.31 0.00 0.00 -1.47 -1.28 103.07 102.30 3nix h GLY 17 Ca -0.11 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 46.63 3nix h GLY 17 CO 0.14 0.35 -0.84 -0.91 0.00 0.00 0.00 176.54 175.28 3nix h THR 18 N 0.73 1.31 -0.26 4.70 1.35 -1.40 0.19 112.91 119.53 3nix h THR 18 Ca 0.19 -2.11 -0.03 0.00 -0.55 0.00 0.00 66.41 63.91 3nix h THR 18 Cb 0.04 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3nix h THR 18 CO -0.03 0.66 0.05 0.58 -0.25 0.00 0.00 175.52 176.53 3nix h VAL 19 N 0.43 1.22 0.34 6.82 2.07 -1.54 -0.11 116.25 125.47 3nix h VAL 19 Ca -0.07 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3nix h VAL 19 Cb 1.47 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3nix h VAL 19 CO 0.16 0.23 -0.38 0.00 0.02 0.00 0.00 177.57 177.61 3nix h ALA 20 N 0.88 -0.79 -0.46 1.67 0.00 -1.10 -1.20 119.26 118.26 3nix h ALA 20 Ca 0.08 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3nix h ALA 20 Cb 0.30 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3nix h ALA 20 CO 0.00 -0.99 0.16 0.00 0.00 0.00 0.00 179.25 178.43 3nix h ALA 21 N -0.31 0.55 -0.59 0.00 0.00 -0.61 0.27 119.26 118.56 3nix h ALA 21 Ca -0.02 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3nix h ALA 21 Cb 0.69 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 3nix h ALA 21 CO -0.09 -0.23 0.06 1.03 0.00 0.00 0.00 179.25 180.02 3nix h SER 22 N 0.33 -0.14 -0.37 0.00 0.87 -0.72 0.15 113.55 113.67 3nix h SER 22 Ca 0.21 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 3nix h SER 22 Cb 0.21 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3nix h SER 22 CO -0.22 -0.06 -0.09 -0.07 -0.53 0.00 0.00 176.83 175.86 3nix h LEU 23 N 0.18 0.72 -0.94 2.23 3.38 0.06 0.36 115.31 121.29 3nix h LEU 23 Ca 0.31 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3nix h LEU 23 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3nix h LEU 23 CO -0.46 0.92 -0.04 0.58 0.09 0.00 0.00 178.44 179.54 3nix h VAL 24 N 0.51 1.24 -0.41 1.22 2.07 -0.41 -2.42 116.25 118.06 3nix h VAL 24 Ca 0.09 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 3nix h VAL 24 Cb 0.61 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3nix h VAL 24 CO 0.04 0.35 -0.19 -1.13 0.02 0.00 0.00 177.57 176.66 3nix h ASN 25 N 0.68 0.87 -1.19 0.57 -0.00 -0.50 -2.98 115.58 113.03 3nix h ASN 25 Ca 0.13 -0.40 0.34 0.00 -0.00 0.00 0.00 56.30 56.37 3nix h ASN 25 Cb 0.48 -0.24 -0.08 0.00 -0.00 0.00 0.00 38.32 38.47 3nix h ASN 25 CO 0.02 1.08 0.81 0.50 -0.00 0.00 0.00 177.43 179.84 3nix h LYS 26 N 0.66 0.17 -0.05 6.67 3.64 0.22 -1.76 116.57 126.12 3nix h LYS 26 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3nix h LYS 26 Cb 0.75 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3nix h LYS 26 CO 0.06 0.11 0.00 0.43 -2.27 0.00 0.00 179.45 177.78 3nix n SER 27 N -4.45 2.95 0.00 4.20 7.64 -1.10 -4.96 113.62 117.90 3nix n SER 27 Ca 0.29 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.21 3nix n SER 27 Cb 1.17 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 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 1.30 0.68 3.94 0.23 0.00 -0.66 -5.10 105.19 105.58 3nix n GLY 28 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 3.50 -0.35 1.61 0.40 -1.21 -5.05 117.98 114.88 3nix s PHE 29 Ca 0.00 0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 56.45 3nix s PHE 29 Cb 0.00 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.62 3nix s PHE 29 CO 0.00 0.11 0.97 0.21 0.70 0.00 0.00 175.22 177.21 3nix s LYS 30 N -4.26 3.94 0.01 0.44 2.20 -1.26 -4.45 119.74 116.36 3nix s LYS 30 Ca 0.40 0.76 0.06 0.00 -0.36 0.00 0.00 55.97 56.84 3nix s LYS 30 Cb -0.10 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 3nix s LYS 30 CO 0.36 -0.91 -0.19 0.54 -0.36 0.00 0.00 175.35 174.79 3nix s VAL 31 N 3.50 1.49 0.03 4.02 0.11 -1.26 -0.81 120.40 127.48 3nix s VAL 31 Ca 0.40 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.57 3nix s VAL 31 Cb -0.12 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 3nix s VAL 31 CO 0.17 0.30 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.33 3nix s LYS 32 N -0.74 1.12 -0.18 1.54 2.20 -1.02 -3.10 119.74 119.55 3nix s LYS 32 Ca 0.07 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3nix s LYS 32 Cb -0.08 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 3nix s LYS 32 CO 0.00 0.29 -0.05 0.42 -0.36 0.00 0.00 175.35 175.65 3nix s ILE 33 N -0.77 3.54 -0.37 5.43 1.01 0.51 -1.20 121.20 129.36 3nix s ILE 33 Ca 0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 3nix s ILE 33 Cb -0.08 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3nix s ILE 33 CO 0.01 0.46 0.22 0.68 0.00 0.00 0.00 174.94 176.31 3nix s VAL 34 N 0.88 4.80 -0.15 2.92 -7.23 -0.62 -0.74 120.40 120.25 3nix s VAL 34 Ca -0.01 -0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 3nix s VAL 34 Cb -0.15 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 3nix s VAL 34 CO 0.01 -0.17 -0.08 -0.70 -0.31 0.00 0.00 175.10 173.85 3nix s GLU 35 N 1.61 3.49 0.39 4.82 2.56 -0.21 -2.43 118.70 128.94 3nix s GLU 35 Ca 0.04 -0.61 0.21 0.00 0.00 0.00 0.00 54.97 54.60 3nix s GLU 35 Cb -0.19 -2.79 0.66 0.00 2.00 0.00 0.00 34.13 33.81 3nix s GLU 35 CO 0.08 0.16 1.71 -0.22 -0.56 0.00 0.00 175.26 176.43 3nix h LYS 36 N 6.91 0.00 -6.20 4.30 3.64 -1.79 0.87 116.57 124.30 3nix h LYS 36 Ca -0.30 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.60 3nix h LYS 36 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 3nix h LYS 36 CO 0.59 0.31 -0.37 -0.65 -2.27 0.00 0.00 179.45 177.06 3nix s GLN 37 N -3.47 2.58 0.14 1.90 -0.21 -1.26 -3.61 119.66 115.73 3nix s GLN 37 Ca 0.01 -1.48 -0.19 0.00 0.02 0.00 0.00 55.36 53.73 3nix s GLN 37 Cb 0.10 -2.43 -0.07 0.00 1.00 0.00 0.00 33.01 31.60 3nix s GLN 37 CO 0.67 -0.17 0.62 0.21 -2.12 0.00 0.00 175.29 174.50 3nix s LYS 38 N -4.14 4.20 -0.14 2.91 2.20 -1.26 -1.88 119.74 121.63 3nix s LYS 38 Ca 0.48 0.75 -0.06 0.00 -0.36 0.00 0.00 55.97 56.78 3nix s LYS 38 Cb -0.04 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3nix s LYS 38 CO 0.28 0.53 0.09 -0.06 -0.36 0.00 0.00 175.35 175.83 3nix s PHE 39 N -1.31 3.39 0.57 4.03 0.40 -1.26 -3.77 117.98 120.02 3nix s PHE 39 Ca 0.35 0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.91 3nix s PHE 39 Cb -0.18 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 3nix s PHE 39 CO 0.20 0.48 0.93 -1.25 0.70 0.00 0.00 175.22 176.29 3nix s PRO 40 N -0.51 3.54 0.01 0.24 0.04 -1.26 -5.12 135.00 131.94 3nix s PRO 40 Ca 0.11 0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.64 3nix s PRO 40 Cb -0.12 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3nix s PRO 40 CO 0.02 -0.44 0.00 -0.98 0.04 0.00 0.00 177.00 175.64 3nix s ARG 41 N -5.00 0.18 0.03 4.56 1.70 -1.25 -5.04 118.95 114.13 3nix s ARG 41 Ca 0.52 -0.29 -0.28 0.00 -0.47 0.00 0.00 55.73 55.20 3nix s ARG 41 Cb -0.11 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 3nix s ARG 41 CO 0.50 -0.03 0.91 0.12 -1.08 0.00 0.00 175.30 175.72 3nix s PHE 42 N -0.74 3.71 0.01 5.89 5.36 -1.26 -3.02 117.98 127.92 3nix s PHE 42 Ca -0.08 1.64 -0.09 0.00 -0.96 0.00 0.00 56.93 57.44 3nix s PHE 42 Cb -0.05 -3.02 0.01 0.00 -0.34 0.00 0.00 43.02 39.62 3nix s PHE 42 CO -0.00 0.11 0.18 0.54 -1.46 0.00 0.00 175.22 174.59 3nix s VAL 43 N 0.52 0.09 0.80 3.12 0.11 -1.26 -4.99 120.40 118.79 3nix s VAL 43 Ca 0.47 -0.71 -0.12 0.00 -2.93 0.00 0.00 61.98 58.68 3nix s VAL 43 Cb -0.21 -0.60 0.07 0.00 -1.53 0.00 0.00 36.38 34.11 3nix s VAL 43 CO 0.27 -0.39 1.17 -0.51 -3.33 0.00 0.00 175.10 172.30 3nix s ILE 44 N -1.70 2.19 0.00 7.04 1.10 -1.26 -4.43 121.20 124.15 3nix s ILE 44 Ca -0.12 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.08 3nix s ILE 44 Cb -0.05 -3.05 0.00 0.00 0.15 0.00 0.00 42.46 39.51 3nix s ILE 44 CO 0.01 -0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.37 3nix n GLY 45 N -3.22 0.75 0.13 1.50 0.00 -1.26 -5.00 105.19 98.09 3nix n GLY 45 Ca 0.08 -0.68 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 0.91 -3.98 1.61 1.02 -1.26 -4.81 120.64 114.13 3nix n GLU 46 Ca 0.00 -0.59 -0.35 0.00 -0.02 0.00 0.00 57.16 56.20 3nix n GLU 46 Cb 0.00 -0.99 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.57 4.59 0.52 1.62 0.15 -1.26 -0.52 113.70 118.22 3nix s SER 47 Ca 0.04 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.46 3nix s SER 47 Cb 0.03 -1.79 0.05 0.00 -1.71 0.00 0.00 66.02 62.61 3nix s SER 47 CO 0.07 0.01 0.72 -0.76 1.20 0.00 0.00 173.24 174.49 3nix s LEU 48 N 1.30 3.34 -0.04 3.45 1.02 -1.07 -4.75 118.68 121.92 3nix s LEU 48 Ca 0.04 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.69 3nix s LEU 48 Cb -0.14 -2.22 -0.00 0.00 0.02 0.00 0.00 46.19 43.85 3nix s LEU 48 CO -0.00 -1.13 -0.15 -0.76 0.02 0.00 0.00 176.35 174.33 3nix s LEU 49 N -4.59 1.87 0.43 1.79 1.43 -1.26 -4.75 118.68 113.60 3nix s LEU 49 Ca 0.59 -0.31 0.35 0.00 -1.03 0.00 0.00 54.13 53.73 3nix s LEU 49 Cb -0.08 -0.86 1.43 0.00 0.03 0.00 0.00 46.19 46.72 3nix s LEU 49 CO 0.37 0.12 1.43 -2.65 0.23 0.00 0.00 176.35 175.85 3nix n PRO 50 N 3.21 -0.02 -0.25 1.29 -0.02 -1.23 0.42 135.00 138.40 3nix n PRO 50 Ca -0.18 1.10 0.05 0.00 -2.02 0.00 0.00 63.50 62.45 3nix n PRO 50 Cb 0.53 -2.27 0.18 0.00 -0.02 0.00 0.00 33.50 31.92 3nix n PRO 50 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3nix h ARG 51 N 0.00 0.39 -3.13 -0.52 9.65 -1.62 -3.36 114.38 115.79 3nix h ARG 51 Ca 0.82 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 59.56 3nix h ARG 51 Cb 2.86 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 31.34 3nix h ARG 51 CO -0.30 0.26 0.95 0.00 2.80 0.00 0.00 179.97 183.68 3nix n GLU 54 N 3.59 0.00 0.13 0.00 1.02 -1.26 0.44 120.64 124.57 3nix n GLU 54 Ca 0.18 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 3nix n GLU 54 Cb 0.19 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.94 -0.78 -0.32 3.86 -1.94 -1.54 115.15 115.37 3nix h HIS 55 Ca 0.00 -0.68 0.14 0.00 -1.16 0.00 0.00 60.37 58.67 3nix h HIS 55 Cb 0.00 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 3nix h HIS 55 CO 0.00 1.53 0.51 -0.07 0.86 0.00 0.00 177.93 180.76 3nix h LEU 56 N 0.10 0.49 -0.02 2.43 4.07 -0.37 -1.79 115.31 120.21 3nix h LEU 56 Ca -0.24 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 3nix h LEU 56 Cb 2.09 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.75 3nix h LEU 56 CO 0.26 0.26 -0.07 -0.78 -1.08 0.00 0.00 178.44 177.03 3nix h ASP 57 N 0.52 0.09 1.13 -0.43 3.58 -1.74 -1.51 116.42 118.07 3nix h ASP 57 Ca 0.38 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 57.21 3nix h ASP 57 Cb 0.73 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.76 3nix h ASP 57 CO -0.14 0.70 0.00 -0.08 -2.88 0.00 0.00 179.24 176.84 3nix h GLU 58 N -0.50 0.00 -0.38 0.28 4.81 -0.84 -2.69 114.58 115.25 3nix h GLU 58 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3nix h GLU 58 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3nix h GLU 58 CO 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 3nix n ALA 59 N -1.95 2.42 -2.11 2.92 0.00 -0.71 -4.95 120.51 116.12 3nix n ALA 59 Ca 0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.36 3nix n ALA 59 Cb 0.33 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 1.52 0.06 0.00 0.00 0.00 -1.01 -4.93 105.19 100.83 3nix n GLY 60 Ca 0.19 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.86 0.00 -0.27 1.61 3.72 -0.59 -4.62 117.46 113.45 3nix n PHE 61 Ca -0.13 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 3nix n PHE 61 Cb 0.57 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.98 -0.53 4.37 3.38 -1.80 -0.65 115.31 121.06 3nix h LEU 62 Ca 0.00 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3nix h LEU 62 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3nix h LEU 62 CO 0.00 0.85 -0.14 0.44 0.09 0.00 0.00 178.44 179.68 3nix h ASP 63 N 1.04 1.04 -0.34 -0.43 3.32 -1.91 -1.45 116.42 117.70 3nix h ASP 63 Ca 0.25 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 3nix h ASP 63 Cb 0.15 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3nix h ASP 63 CO -0.03 1.17 -0.31 0.00 -1.72 0.00 0.00 179.24 178.35 3nix h ALA 64 N 0.91 0.49 -0.01 3.45 0.00 -1.77 -1.38 119.26 120.96 3nix h ALA 64 Ca 0.13 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3nix h ALA 64 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3nix h ALA 64 CO 0.06 0.53 -0.09 0.28 0.00 0.00 0.00 179.25 180.03 3nix h VAL 65 N 0.59 0.78 -0.43 0.00 2.07 -0.98 -3.02 116.25 115.25 3nix h VAL 65 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 3nix h VAL 65 Cb 0.89 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 3nix h VAL 65 CO 0.08 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.78 3nix h LYS 66 N -0.15 0.11 0.00 1.57 1.57 -1.14 -2.28 116.57 116.25 3nix h LYS 66 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3nix h LYS 66 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3nix h LYS 66 CO -0.09 0.07 0.31 0.00 -0.57 0.00 0.00 179.45 179.17 3nix h ALA 67 N 1.38 1.23 0.00 3.86 0.00 -1.11 0.25 119.26 124.87 3nix h ALA 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3nix h ALA 67 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3nix h ALA 67 CO -0.35 -0.23 -0.32 1.04 0.00 0.00 0.00 179.25 179.38 3nix n GLN 68 N -2.24 0.21 -3.80 0.00 1.13 -0.86 -4.98 117.38 106.85 3nix n GLN 68 Ca -0.01 0.11 -0.27 0.00 -1.94 0.00 0.00 57.00 54.89 3nix n GLN 68 Cb 0.34 -1.68 0.01 0.00 0.11 0.00 0.00 30.24 29.02 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 1.37 -0.53 3.76 1.08 0.00 0.86 -4.98 105.19 106.76 3nix n GLY 69 Ca 0.05 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.72 2.52 0.31 1.61 0.08 -1.26 -4.78 117.98 112.75 3nix s PHE 70 Ca 0.18 1.57 -0.29 0.00 0.12 0.00 0.00 56.93 58.50 3nix s PHE 70 Cb -0.06 -3.13 -0.12 0.00 -0.57 0.00 0.00 43.02 39.14 3nix s PHE 70 CO 0.86 -1.84 1.49 0.94 -0.10 0.00 0.00 175.22 176.57 3nix n GLN 71 N -3.10 2.49 -3.14 0.44 -0.06 -1.24 -4.88 117.38 107.88 3nix n GLN 71 Ca 0.10 0.88 -0.39 0.00 -2.00 0.00 0.00 57.00 55.59 3nix n GLN 71 Cb 0.52 -2.60 -0.06 0.00 -4.06 0.00 0.00 30.24 24.05 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 -1.12 4.37 -0.22 3.69 -0.21 -1.26 -1.27 119.66 123.63 3nix s GLN 72 Ca 0.61 0.85 -0.06 0.00 0.02 0.00 0.00 55.36 56.78 3nix s GLN 72 Cb -0.53 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.13 3nix s GLN 72 CO 0.55 0.41 0.03 0.21 -2.12 0.00 0.00 175.29 174.37 3nix s LYS 73 N -0.38 3.64 0.00 2.91 2.20 0.21 -4.34 119.74 123.98 3nix s LYS 73 Ca 0.33 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.51 3nix s LYS 73 Cb -0.19 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 32.97 3nix s LYS 73 CO 0.20 -0.08 0.65 1.19 -0.36 0.00 0.00 175.35 176.95 3nix n PHE 74 N 4.55 0.00 -1.56 4.03 3.72 0.18 -1.61 117.46 126.77 3nix n PHE 74 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3nix n PHE 74 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.48 -1.55 2.89 1.37 0.00 -1.20 -0.70 105.19 106.49 3nix n GLY 75 Ca 0.04 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.54 0.81 0.06 4.61 0.00 -0.26 -2.06 121.76 123.39 3nix s ALA 76 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.84 3nix s ALA 76 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3nix s ALA 76 CO 0.00 -0.10 -0.00 0.21 0.00 0.00 0.00 175.76 175.87 3nix s LYS 77 N 1.11 2.63 -0.12 0.00 2.20 0.05 -0.98 119.74 124.64 3nix s LYS 77 Ca -0.08 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3nix s LYS 77 Cb -0.14 -2.58 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 3nix s LYS 77 CO -0.01 0.57 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.37 3nix s PHE 78 N -1.22 1.83 -0.13 4.03 0.08 0.05 -1.22 117.98 121.40 3nix s PHE 78 Ca 0.23 -0.94 -0.02 0.00 0.12 0.00 0.00 56.93 56.32 3nix s PHE 78 Cb -0.12 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 3nix s PHE 78 CO 0.15 -0.54 -0.04 0.08 -0.10 0.00 0.00 175.22 174.76 3nix s VAL 79 N 1.40 3.87 -0.23 -0.44 1.01 0.28 -1.24 120.40 125.05 3nix s VAL 79 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3nix s VAL 79 Cb -0.13 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.67 3nix s VAL 79 CO -0.07 0.53 0.14 -0.60 0.00 0.00 0.00 175.10 175.10 3nix s ARG 80 N -0.04 0.15 7.77 2.72 3.52 -0.47 0.82 118.95 133.42 3nix s ARG 80 Ca 0.01 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 3nix s ARG 80 Cb -0.13 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.86 3nix s ARG 80 CO 0.03 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.10 3nix n GLY 81 N 5.28 3.12 0.80 8.12 0.00 -1.26 -1.14 105.19 120.10 3nix n GLY 81 Ca -0.06 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 13.13 1.95 -2.43 1.61 4.76 -1.26 -4.85 118.16 131.05 3nix n LYS 82 Ca 0.00 -1.64 -0.39 0.00 -2.87 0.00 0.00 58.31 53.42 3nix n LYS 82 Cb 0.00 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 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 -2.01 4.32 -0.06 1.97 2.02 -0.29 -5.05 118.70 119.59 3nix s GLU 83 Ca 0.24 1.74 -0.02 0.00 0.02 0.00 0.00 54.97 56.95 3nix s GLU 83 Cb 0.19 -2.84 0.04 0.00 0.10 0.00 0.00 34.13 31.61 3nix s GLU 83 CO 0.35 -0.06 0.13 0.42 0.02 0.00 0.00 175.26 176.12 3nix s ILE 84 N -1.38 -0.09 -0.29 -1.63 1.01 -1.26 -1.36 121.20 116.20 3nix s ILE 84 Ca 0.52 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 3nix s ILE 84 Cb -0.29 -0.23 0.04 0.00 0.01 0.00 0.00 42.46 42.00 3nix s ILE 84 CO 0.37 0.09 -0.01 0.00 0.00 0.00 0.00 174.94 175.38 3nix s ALA 85 N 1.38 2.79 -0.20 9.38 0.00 -0.37 -4.97 121.76 129.77 3nix s ALA 85 Ca -0.07 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.12 3nix s ALA 85 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3nix s ALA 85 CO -0.05 -1.17 0.08 0.34 0.00 0.00 0.00 175.76 174.96 3nix s ASP 86 N 1.27 5.72 -0.28 0.00 2.15 -1.26 -0.77 116.67 123.50 3nix s ASP 86 Ca -0.04 0.08 -0.01 0.00 0.43 0.00 0.00 52.55 53.00 3nix s ASP 86 Cb -0.19 -1.99 0.04 0.00 -0.30 0.00 0.00 42.92 40.48 3nix s ASP 86 CO -0.02 0.14 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.74 3nix s PHE 87 N 0.57 3.20 -0.32 -5.34 0.40 -0.15 -5.00 117.98 111.34 3nix s PHE 87 Ca 0.04 -1.80 -0.16 0.00 -0.60 0.00 0.00 56.93 54.41 3nix s PHE 87 Cb -0.13 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 3nix s PHE 87 CO 0.01 -0.78 0.43 1.21 0.70 0.00 0.00 175.22 176.79 3nix s ASN 88 N 1.27 6.27 0.13 1.36 3.84 -1.26 -1.10 114.94 125.45 3nix s ASN 88 Ca -0.04 0.04 0.11 0.00 0.21 0.00 0.00 52.86 53.18 3nix s ASN 88 Cb -0.19 -2.23 0.55 0.00 -0.55 0.00 0.00 41.25 38.83 3nix s ASN 88 CO -0.02 -0.35 1.34 0.49 -2.79 0.00 0.00 177.10 175.76 3nix n PHE 89 N 5.52 0.32 0.91 0.43 3.72 0.12 -0.74 117.46 127.74 3nix n PHE 89 Ca -0.07 0.16 0.14 0.00 -0.05 0.00 0.00 57.45 57.63 3nix n PHE 89 Cb 0.50 -0.76 0.57 0.00 -0.94 0.00 0.00 39.48 38.85 3nix n PHE 89 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3nix n SER 90 N -1.83 0.16 -3.91 4.37 7.64 -1.26 -4.16 113.62 114.63 3nix n SER 90 Ca 0.00 0.52 -0.29 0.00 1.01 0.00 0.00 58.87 60.11 3nix n SER 90 Cb 0.05 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 3nix n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3nix s ASP 91 N -3.30 4.88 0.25 6.43 2.15 0.08 -5.09 116.67 122.07 3nix s ASP 91 Ca 0.13 -3.82 0.02 0.00 0.43 0.00 0.00 52.55 49.32 3nix s ASP 91 Cb 0.17 -1.65 -0.05 0.00 -0.30 0.00 0.00 42.92 41.09 3nix s ASP 91 CO 0.54 -0.10 0.04 0.00 -0.17 0.00 0.00 175.17 175.48 3nix s GLN 92 N -1.41 1.38 -0.04 4.34 -2.07 -1.26 -4.46 119.66 116.15 3nix s GLN 92 Ca 0.25 -1.73 -0.24 0.00 -1.82 0.00 0.00 55.36 51.82 3nix s GLN 92 Cb -0.06 -0.48 -0.22 0.00 -1.09 0.00 0.00 33.01 31.17 3nix s GLN 92 CO -0.16 -0.19 1.08 0.35 -1.32 0.00 0.00 175.29 175.05 3nix h PHE 93 N 2.42 0.29 -3.32 9.60 3.57 -1.07 -3.47 116.94 124.96 3nix h PHE 93 Ca -0.38 -0.15 -0.51 0.00 3.53 0.00 0.00 57.97 60.46 3nix h PHE 93 Cb 1.23 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3nix h PHE 93 CO 0.53 0.92 -0.06 -1.12 -2.23 0.00 0.00 178.31 176.34 3nix s SER 94 N -6.30 6.44 0.59 0.41 0.01 -1.26 -5.06 113.70 108.52 3nix s SER 94 Ca -0.15 0.81 -0.19 0.00 1.31 0.00 0.00 55.95 57.72 3nix s SER 94 Cb 0.02 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 3nix s SER 94 CO 0.75 -0.29 1.27 0.20 0.41 0.00 0.00 173.24 175.58 3nix s ASN 95 N -3.31 5.07 0.00 2.44 0.01 -1.26 -4.95 114.94 112.94 3nix s ASN 95 Ca 0.46 2.55 0.00 0.00 -0.71 0.00 0.00 52.86 55.16 3nix s ASN 95 Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3nix s ASN 95 CO 0.32 -1.69 0.00 0.61 -1.51 0.00 0.00 177.10 174.83 3nix n GLY 96 N 0.69 0.93 3.73 0.66 0.00 -1.26 -5.04 105.19 104.89 3nix n GLY 96 Ca 0.13 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.39 2.15 -0.04 1.61 0.52 -1.26 -4.97 118.94 115.57 3nix s TRP 97 Ca 0.00 1.65 0.06 0.00 0.02 0.00 0.00 56.10 57.83 3nix s TRP 97 Cb 0.00 -3.25 0.09 0.00 -1.15 0.00 0.00 33.47 29.17 3nix s TRP 97 CO 0.00 -2.29 0.96 0.27 0.02 0.00 0.00 176.95 175.92 3nix n ASN 98 N -3.47 1.44 -3.60 2.95 2.04 -1.26 -4.84 115.26 108.52 3nix n ASN 98 Ca 0.11 -2.18 -0.11 0.00 -0.44 0.00 0.00 54.58 51.97 3nix n ASN 98 Cb 0.52 -0.17 -0.04 0.00 -2.53 0.00 0.00 39.78 37.56 3nix n ASN 98 CO 0.00 0.00 0.00 -1.66 -0.44 0.00 0.00 177.26 175.16 3nix s TRP 99 N -1.27 -0.27 0.00 -2.53 1.48 -1.26 -4.41 118.94 110.68 3nix s TRP 99 Ca 0.10 -0.02 0.00 0.00 -1.06 0.00 0.00 56.10 55.12 3nix s TRP 99 Cb 0.09 0.35 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 3nix s TRP 99 CO 0.01 -0.76 0.00 -2.37 -4.06 0.00 0.00 176.95 169.77 3nix n THR 100 N -0.28 0.00 -4.06 0.66 5.66 -0.64 -4.52 114.28 111.10 3nix n THR 100 Ca -0.15 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.75 3nix n THR 100 Cb 0.64 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.56 0.54 -0.31 1.09 0.51 -1.26 -0.62 118.94 118.33 3nix s TRP 101 Ca 0.00 -0.73 -0.14 0.00 -2.12 0.00 0.00 56.10 53.10 3nix s TRP 101 Cb 0.00 -0.35 -0.03 0.00 -0.81 0.00 0.00 33.47 32.28 3nix s TRP 101 CO 0.00 -0.21 0.33 -0.65 -0.51 0.00 0.00 176.95 175.92 3nix s GLN 102 N -2.56 3.76 -0.03 4.98 -1.52 -0.40 -2.60 119.66 121.29 3nix s GLN 102 Ca -0.03 -0.27 0.03 0.00 -1.95 0.00 0.00 55.36 53.14 3nix s GLN 102 Cb -0.03 -3.74 0.00 0.00 -0.22 0.00 0.00 33.01 29.03 3nix s GLN 102 CO -0.04 -0.39 -0.12 0.14 -0.25 0.00 0.00 175.29 174.63 3nix s VAL 103 N 1.98 1.03 -0.05 1.09 -7.23 0.32 -3.71 120.40 113.83 3nix s VAL 103 Ca 0.12 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 3nix s VAL 103 Cb -0.16 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.83 3nix s VAL 103 CO 0.11 0.31 1.50 -2.84 -0.31 0.00 0.00 175.10 173.87 3nix s PRO 104 N 0.15 4.22 0.28 4.82 0.02 -1.26 -4.46 135.00 138.78 3nix s PRO 104 Ca -0.04 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.10 3nix s PRO 104 Cb -0.10 -3.79 0.39 0.00 0.02 0.00 0.00 34.50 31.02 3nix s PRO 104 CO 0.01 -0.73 1.64 0.00 -0.33 0.00 0.00 177.00 177.59 3nix h ARG 105 N 8.67 0.08 0.03 5.54 2.47 -1.89 -1.74 114.38 127.54 3nix h ARG 105 Ca -0.36 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.33 3nix h ARG 105 Cb 1.16 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 3nix h ARG 105 CO 0.94 0.62 -0.23 0.78 0.56 0.00 0.00 179.97 182.64 3nix h GLY 106 N 1.61 -0.37 1.50 0.04 0.00 -1.81 0.63 103.07 104.66 3nix h GLY 106 Ca -0.00 0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 3nix h GLY 106 CO 0.08 -0.20 -0.45 3.43 0.00 0.00 0.00 176.54 179.40 3nix h ASN 107 N -0.38 0.59 0.11 0.19 2.35 -1.78 -2.13 115.58 114.53 3nix h ASN 107 Ca 0.05 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3nix h ASN 107 Cb 0.45 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3nix h ASN 107 CO -0.19 0.95 -0.05 0.15 -1.65 0.00 0.00 177.43 176.64 3nix h PHE 108 N 0.44 -0.14 -0.64 1.19 3.57 -1.07 -1.35 116.94 118.93 3nix h PHE 108 Ca 0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3nix h PHE 108 Cb 0.96 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3nix h PHE 108 CO 0.04 0.29 0.37 -0.44 -2.23 0.00 0.00 178.31 176.34 3nix h ASP 109 N -0.64 0.79 -0.72 0.41 5.19 0.22 -1.17 116.42 120.50 3nix h ASP 109 Ca -0.02 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 3nix h ASP 109 Cb 0.50 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 3nix h ASP 109 CO 0.03 0.64 0.47 0.50 -3.12 0.00 0.00 179.24 177.75 3nix h LYS 110 N 0.88 0.91 -0.96 3.56 3.64 -1.45 0.50 116.57 123.65 3nix h LYS 110 Ca 0.23 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 3nix h LYS 110 Cb 0.01 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 31.54 3nix h LYS 110 CO -0.04 0.60 0.61 1.15 -2.27 0.00 0.00 179.45 179.50 3nix h THR 111 N 0.94 0.88 0.15 1.00 2.02 -0.38 0.11 112.91 117.63 3nix h THR 111 Ca 0.27 -0.30 -0.29 0.00 0.77 0.00 0.00 66.41 66.87 3nix h THR 111 Cb -0.07 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.29 3nix h THR 111 CO -0.07 0.16 -1.27 -0.07 0.37 0.00 0.00 175.52 174.63 3nix h LEU 112 N 0.87 0.53 -0.19 2.58 4.07 -0.26 -2.83 115.31 120.07 3nix h LEU 112 Ca 0.48 -0.55 -0.11 0.00 0.08 0.00 0.00 57.88 57.78 3nix h LEU 112 Cb 0.58 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 3nix h LEU 112 CO -0.24 1.43 -0.29 0.00 -1.08 0.00 0.00 178.44 178.25 3nix h ALA 113 N 0.50 0.30 -0.33 1.53 0.00 -0.59 -1.32 119.26 119.34 3nix h ALA 113 Ca -0.16 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.40 3nix h ALA 113 Cb 1.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 3nix h ALA 113 CO 0.22 0.31 0.07 -0.44 0.00 0.00 0.00 179.25 179.41 3nix h ASP 114 N 0.20 0.03 -0.43 0.00 3.32 -0.87 0.96 116.42 119.64 3nix h ASP 114 Ca 0.02 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3nix h ASP 114 Cb 0.87 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 3nix h ASP 114 CO 0.07 0.05 0.16 -0.08 -1.72 0.00 0.00 179.24 177.72 3nix h GLU 115 N 0.19 0.32 -0.86 3.56 4.57 -1.48 0.86 114.58 121.74 3nix h GLU 115 Ca 0.15 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3nix h GLU 115 Cb 0.16 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3nix h GLU 115 CO -0.19 0.21 0.57 0.00 -1.18 0.00 0.00 179.01 178.42 3nix h ALA 116 N 1.28 1.11 0.03 2.92 0.00 -0.52 -0.30 119.26 123.77 3nix h ALA 116 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nix h ALA 116 Cb 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3nix h ALA 116 CO -0.20 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.50 3nix h ALA 117 N 1.33 -0.04 -0.14 0.00 0.00 -0.24 -0.50 119.26 119.68 3nix h ALA 117 Ca 0.32 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3nix h ALA 117 Cb -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3nix h ALA 117 CO -0.08 -0.48 0.13 -0.09 0.00 0.00 0.00 179.25 178.73 3nix h ARG 118 N -0.12 0.00 0.00 0.00 2.43 -0.47 0.39 114.38 116.61 3nix h ARG 118 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3nix h ARG 118 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3nix h ARG 118 CO 0.01 0.00 -0.10 1.04 -1.51 0.00 0.00 179.97 179.40 3nix n GLN 119 N -4.02 0.18 0.00 0.20 6.02 -0.16 -4.92 117.38 114.69 3nix n GLN 119 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3nix n GLN 119 Cb 0.25 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 1.38 1.09 3.74 1.08 0.00 0.14 -5.00 105.19 107.62 3nix n GLY 120 Ca 0.06 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 0.14 0.00 0.00 0.00 173.32 173.46 3nix s VAL 121 N -1.97 2.94 -0.37 1.61 1.01 -0.26 -4.91 120.40 118.45 3nix s VAL 121 Ca 0.00 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 3nix s VAL 121 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.87 3nix s VAL 121 CO 0.00 0.13 0.57 1.51 0.00 0.00 0.00 175.10 177.31 3nix s ASP 122 N 0.24 6.34 -0.28 3.32 1.47 -1.18 -3.89 116.67 122.69 3nix s ASP 122 Ca 0.57 -0.09 -0.08 0.00 1.18 0.00 0.00 52.55 54.13 3nix s ASP 122 Cb -0.39 -2.29 -0.01 0.00 -0.34 0.00 0.00 42.92 39.89 3nix s ASP 122 CO 0.42 -0.58 0.09 -0.69 0.68 0.00 0.00 175.17 175.08 3nix s VAL 123 N 2.55 4.24 -0.16 2.11 1.01 -1.26 -0.36 120.40 128.53 3nix s VAL 123 Ca 0.21 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3nix s VAL 123 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3nix s VAL 123 CO 0.15 0.21 -0.08 -0.70 0.00 0.00 0.00 175.10 174.67 3nix s GLU 124 N 1.58 3.48 0.46 2.72 2.12 0.08 -4.97 118.70 124.16 3nix s GLU 124 Ca 0.05 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.84 3nix s GLU 124 Cb -0.16 -2.81 0.03 0.00 0.26 0.00 0.00 34.13 31.44 3nix s GLU 124 CO 0.04 0.13 0.59 0.71 -0.54 0.00 0.00 175.26 176.18 3nix s TYR 125 N 0.61 2.41 -1.11 5.30 2.02 -1.26 -1.04 117.35 124.27 3nix s TYR 125 Ca -0.05 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 3nix s TYR 125 Cb -0.15 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 3nix s TYR 125 CO 0.03 -0.55 0.00 0.39 -1.57 0.00 0.00 175.55 173.84 3nix n GLU 126 N -1.90 -2.13 -4.85 -0.62 1.02 0.18 -4.85 120.64 107.50 3nix n GLU 126 Ca 0.09 0.63 -0.29 0.00 -0.02 0.00 0.00 57.16 57.56 3nix n GLU 126 Cb 0.60 -5.20 -0.17 0.00 -0.02 0.00 0.00 31.44 26.66 3nix n GLU 126 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3nix s VAL 127 N -2.59 1.71 -0.19 2.62 1.01 -0.48 -3.73 120.40 118.76 3nix s VAL 127 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3nix s VAL 127 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3nix s VAL 127 CO 0.00 0.48 -0.12 -0.83 0.00 0.00 0.00 175.10 174.63 3nix s GLY 128 N 0.60 1.50 0.21 4.51 0.00 0.33 -2.48 107.32 111.99 3nix s GLY 128 Ca -0.14 -1.15 -0.32 0.00 0.00 0.00 0.00 44.72 43.11 3nix s GLY 128 CO 0.04 0.27 1.64 -0.62 0.00 0.00 0.00 173.10 174.43 3nix n VAL 129 N 4.54 0.25 0.00 1.40 0.31 -1.26 0.20 118.33 123.76 3nix n VAL 129 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3nix n VAL 129 Cb 0.51 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 3.34 0.00 -3.53 2.52 5.66 0.94 -4.88 114.28 118.33 3nix n THR 130 Ca 0.15 -0.07 -0.13 0.00 -3.05 0.00 0.00 64.05 60.94 3nix n THR 130 Cb 0.33 0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 69.59 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 -1.60 -0.50 -0.01 1.09 2.15 -1.13 -5.00 116.67 111.67 3nix s ASP 131 Ca 0.00 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.40 3nix s ASP 131 Cb 0.00 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.07 3nix s ASP 131 CO 0.00 -0.56 0.01 -0.63 -0.17 0.00 0.00 175.17 173.83 3nix s ILE 132 N -1.74 -0.00 -0.10 4.11 1.01 -1.26 -0.85 121.20 122.36 3nix s ILE 132 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3nix s ILE 132 Cb -0.00 -0.07 0.02 0.00 0.01 0.00 0.00 42.46 42.42 3nix s ILE 132 CO 0.02 0.06 -0.09 -0.54 0.00 0.00 0.00 174.94 174.38 3nix s LYS 133 N 0.58 1.57 0.05 2.79 3.01 -0.58 -5.00 119.74 122.15 3nix s LYS 133 Ca -0.05 -0.30 -0.05 0.00 -1.01 0.00 0.00 55.97 54.56 3nix s LYS 133 Cb -0.07 -1.53 -0.05 0.00 -1.01 0.00 0.00 37.83 35.17 3nix s LYS 133 CO -0.02 -0.19 0.28 -0.06 0.51 0.00 0.00 175.35 175.88 3nix s PHE 134 N 1.41 3.54 -0.26 3.18 0.08 -1.26 -1.09 117.98 123.59 3nix s PHE 134 Ca -0.01 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.52 3nix s PHE 134 Cb -0.13 -1.95 0.10 0.00 -0.57 0.00 0.00 43.02 40.47 3nix s PHE 134 CO -0.05 0.57 0.16 0.12 -0.10 0.00 0.00 175.22 175.92 3nix s PHE 135 N -1.42 0.09 0.00 0.36 5.36 -0.02 -4.99 117.98 117.35 3nix s PHE 135 Ca 0.32 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 3nix s PHE 135 Cb -0.13 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.83 3nix s PHE 135 CO 0.20 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.60 3nix n GLY 136 N 5.27 3.04 0.49 13.12 0.00 -1.26 -2.38 105.19 123.47 3nix n GLY 136 Ca -0.05 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3nix n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nix n THR 137 N 0.00 0.00 -2.74 2.61 -2.24 -1.26 -4.59 114.28 106.06 3nix n THR 137 Ca 0.00 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 3nix n THR 137 Cb 0.00 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.43 6.48 -0.00 3.42 1.01 -1.00 -4.07 116.67 120.06 3nix s ASP 138 Ca 0.21 1.15 -0.07 0.00 0.71 0.00 0.00 52.55 54.55 3nix s ASP 138 Cb 0.19 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.78 3nix s ASP 138 CO 0.54 -0.46 0.13 -0.94 0.21 0.00 0.00 175.17 174.64 3nix s SER 139 N -3.34 0.01 -0.20 0.27 1.04 -0.60 -0.84 113.70 110.04 3nix s SER 139 Ca 0.51 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 3nix s SER 139 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3nix s SER 139 CO 0.34 -0.33 -0.11 -0.69 0.98 0.00 0.00 173.24 173.44 3nix s VAL 140 N -1.21 2.84 -0.13 5.02 1.01 -0.25 -0.40 120.40 127.27 3nix s VAL 140 Ca -0.13 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3nix s VAL 140 Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3nix s VAL 140 CO 0.01 0.47 -0.03 -0.89 0.00 0.00 0.00 175.10 174.67 3nix s THR 141 N 1.35 3.98 -0.23 3.92 2.01 0.47 -1.53 115.64 125.62 3nix s THR 141 Ca 0.05 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 3nix s THR 141 Cb -0.14 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3nix s THR 141 CO -0.07 0.52 0.06 -0.89 -0.69 0.00 0.00 174.62 173.56 3nix s THR 142 N -0.00 4.37 0.19 -0.82 2.01 -0.03 0.12 115.64 121.47 3nix s THR 142 Ca 0.01 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.93 3nix s THR 142 Cb -0.13 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 3nix s THR 142 CO 0.02 0.38 -0.06 0.27 -0.69 0.00 0.00 174.62 174.55 3nix s ILE 143 N 1.22 3.38 -0.10 1.82 -4.36 -0.44 -0.04 121.20 122.67 3nix s ILE 143 Ca 0.04 -1.61 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 3nix s ILE 143 Cb -0.14 -2.70 0.01 0.00 1.25 0.00 0.00 42.46 40.88 3nix s ILE 143 CO 0.03 -0.14 -0.15 -0.70 0.24 0.00 0.00 174.94 174.22 3nix s GLU 144 N -2.95 2.16 0.00 0.37 2.12 0.13 -1.43 118.70 119.10 3nix s GLU 144 Ca 0.26 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.05 3nix s GLU 144 Cb -0.09 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.47 3nix s GLU 144 CO 0.17 -0.05 0.00 -0.40 -0.54 0.00 0.00 175.26 174.44 3nix n ASP 145 N 4.14 0.00 0.11 -1.70 5.68 0.00 -0.51 116.55 124.28 3nix n ASP 145 Ca -0.19 -0.71 0.04 0.00 -0.50 0.00 0.00 54.79 53.42 3nix n ASP 145 Cb 0.51 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.93 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 -0.42 1.13 -0.83 2.12 2.04 -1.88 -2.94 117.51 116.73 3nix h ILE 146 Ca 0.00 -0.50 -0.46 0.00 1.00 0.00 0.00 64.86 64.90 3nix h ILE 146 Cb 0.00 1.00 -0.26 0.00 -0.74 0.00 0.00 36.82 36.82 3nix h ILE 146 CO 0.00 0.17 0.45 0.59 0.00 0.00 0.00 178.15 179.35 3nix n ASN 147 N -4.37 4.04 0.00 1.72 3.02 -1.26 -4.89 115.26 113.53 3nix n ASN 147 Ca -0.00 -3.69 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 3nix n ASN 147 Cb 0.18 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 3nix n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nix n GLY 148 N -1.09 0.70 3.69 7.41 0.00 -1.11 -4.93 105.19 109.85 3nix n GLY 148 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.51 6.50 0.01 1.61 -0.87 -1.26 -4.77 114.94 113.66 3nix s ASN 149 Ca 0.00 2.64 -0.00 0.00 -1.57 0.00 0.00 52.86 53.93 3nix s ASN 149 Cb 0.00 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 3nix s ASN 149 CO 0.00 -0.95 0.11 -0.54 -2.57 0.00 0.00 177.10 173.15 3nix s LYS 150 N 2.70 3.14 0.26 -0.60 1.02 -1.26 -0.82 119.74 124.18 3nix s LYS 150 Ca 0.78 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 56.22 3nix s LYS 150 Cb -0.43 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 3nix s LYS 150 CO 0.35 0.64 0.37 -0.98 -0.92 0.00 0.00 175.35 174.81 3nix s ARG 151 N -1.96 1.54 0.18 1.68 1.70 -0.52 -5.01 118.95 116.57 3nix s ARG 151 Ca 0.26 -1.49 0.08 0.00 -0.47 0.00 0.00 55.73 54.10 3nix s ARG 151 Cb -0.12 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 3nix s ARG 151 CO 0.17 -0.61 -0.03 -1.21 -1.08 0.00 0.00 175.30 172.54 3nix s GLU 152 N -3.82 2.28 -0.04 3.89 2.02 -1.26 -1.33 118.70 120.43 3nix s GLU 152 Ca 0.29 -1.17 -0.01 0.00 0.02 0.00 0.00 54.97 54.10 3nix s GLU 152 Cb 0.02 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 31.99 3nix s GLU 152 CO 0.13 0.44 0.03 0.42 0.02 0.00 0.00 175.26 176.30 3nix s ILE 153 N -1.74 0.09 -0.18 -1.63 1.01 0.33 -4.74 121.20 114.34 3nix s ILE 153 Ca 0.27 0.24 -0.13 0.00 0.00 0.00 0.00 60.65 61.02 3nix s ILE 153 Cb -0.09 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 3nix s ILE 153 CO 0.17 0.18 0.27 -0.70 0.00 0.00 0.00 174.94 174.87 3nix s GLU 154 N 1.71 4.22 0.16 2.79 2.12 -1.26 0.18 118.70 128.61 3nix s GLU 154 Ca -0.00 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.41 3nix s GLU 154 Cb -0.13 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 3nix s GLU 154 CO -0.03 0.18 -0.11 0.00 -0.54 0.00 0.00 175.26 174.76 3nix s ALA 155 N 0.65 1.56 -0.29 6.30 0.00 0.46 -0.52 121.76 129.92 3nix s ALA 155 Ca 0.15 -1.51 0.21 0.00 0.00 0.00 0.00 51.96 50.81 3nix s ALA 155 Cb -0.13 0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.12 3nix s ALA 155 CO 0.04 -0.05 1.28 0.00 0.00 0.00 0.00 175.76 177.02 3nix h ARG 156 N 2.80 0.00 -1.96 0.00 3.08 -0.81 -1.59 114.38 115.90 3nix h ARG 156 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 3nix h ARG 156 Cb 1.20 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.03 3nix h ARG 156 CO 0.62 0.09 0.12 0.12 -1.07 0.00 0.00 179.97 179.86 3nix s PHE 157 N -3.21 -0.87 -0.17 3.04 5.36 -0.87 -4.38 117.98 116.88 3nix s PHE 157 Ca 0.03 1.93 -0.06 0.00 -0.96 0.00 0.00 56.93 57.87 3nix s PHE 157 Cb 0.08 0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 43.14 3nix s PHE 157 CO 0.74 -0.42 0.01 0.42 -1.46 0.00 0.00 175.22 174.51 3nix s ILE 158 N 0.88 4.32 -0.39 3.12 1.01 0.15 -0.71 121.20 129.58 3nix s ILE 158 Ca -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3nix s ILE 158 Cb -0.05 -2.93 0.08 0.00 0.01 0.00 0.00 42.46 39.57 3nix s ILE 158 CO -0.08 0.47 0.18 -0.63 0.00 0.00 0.00 174.94 174.88 3nix s ILE 159 N 0.45 3.74 -0.63 2.92 1.01 0.02 -2.02 121.20 126.69 3nix s ILE 159 Ca -0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 60.65 58.86 3nix s ILE 159 Cb -0.13 -3.31 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3nix s ILE 159 CO 0.02 -0.44 1.36 -0.62 0.00 0.00 0.00 174.94 175.26 3nix s ASP 160 N 1.81 6.13 -0.26 3.58 -1.08 -0.69 -1.11 116.67 125.05 3nix s ASP 160 Ca 0.02 0.01 0.11 0.00 -0.52 0.00 0.00 52.55 52.17 3nix s ASP 160 Cb -0.22 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.15 3nix s ASP 160 CO 0.00 -1.76 1.18 0.00 0.52 0.00 0.00 175.17 175.11 3nix n ALA 161 N 9.55 4.36 0.54 3.66 0.00 0.17 -1.51 120.51 137.27 3nix n ALA 161 Ca 0.09 -3.51 0.02 0.00 0.00 0.00 0.00 53.44 50.04 3nix n ALA 161 Cb 0.49 -0.42 0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.71 2.24 0.00 0.00 3.41 0.16 -4.20 113.62 114.52 3nix n SER 162 Ca 0.33 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3nix n SER 162 Cb 0.91 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.23 2.00 0.00 5.00 0.00 -1.26 0.42 105.19 111.58 3nix n GLY 163 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3nix n GLY 163 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3nix n TYR 164 N 11.82 0.00 0.11 1.61 4.02 -1.26 -1.79 117.16 131.66 3nix n TYR 164 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 3nix n TYR 164 Cb 0.00 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 38.92 3nix n TYR 164 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3nix h GLY 165 N 0.00 0.00 -6.89 2.72 0.00 -0.39 -3.47 103.07 95.04 3nix h GLY 165 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3nix h GLY 165 CO 0.00 0.00 -0.92 0.54 0.00 0.00 0.00 176.54 176.16 3nix n ARG 166 N -3.30 -1.88 0.09 4.80 5.12 -0.74 -4.83 116.66 115.92 3nix n ARG 166 Ca 0.01 0.22 -0.14 0.00 -1.93 0.00 0.00 57.85 56.02 3nix n ARG 166 Cb 0.81 -4.20 -0.07 0.00 -1.16 0.00 0.00 32.46 27.85 3nix n ARG 166 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3nix h VAL 167 N -1.65 0.18 -0.28 1.55 2.07 -1.86 0.14 116.25 116.39 3nix h VAL 167 Ca -0.64 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.70 3nix h VAL 167 Cb 1.39 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3nix h VAL 167 CO 0.72 0.00 -0.54 0.40 0.02 0.00 0.00 177.57 178.17 3nix h ILE 168 N -0.60 1.28 -0.29 4.57 2.04 -1.95 -3.23 117.51 119.33 3nix h ILE 168 Ca 0.04 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 64.08 3nix h ILE 168 Cb 0.65 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3nix h ILE 168 CO -0.28 0.56 -0.20 -0.65 0.00 0.00 0.00 178.15 177.59 3nix h PRO 169 N 0.65 0.53 -1.06 2.37 0.11 -1.82 -1.28 132.00 131.50 3nix h PRO 169 Ca 0.01 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3nix h PRO 169 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3nix h PRO 169 CO 0.12 0.71 0.00 0.54 -0.21 0.00 0.00 178.00 179.16 3nix n ARG 170 N -4.15 0.67 0.00 1.05 1.74 0.45 -0.27 116.66 116.17 3nix n ARG 170 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3nix n ARG 170 Cb 0.38 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.46 0.00 -3.85 -1.55 3.01 -0.48 -4.89 117.46 110.15 3nix n PHE 172 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3nix n PHE 172 Cb 0.27 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.75 3nix n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nix n GLY 173 N 0.00 -0.32 0.24 1.37 0.00 -0.56 -4.92 105.19 101.01 3nix n GLY 173 Ca 0.00 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.40 1.02 -4.72 0.99 4.77 0.63 -4.95 117.00 110.35 3nix n LEU 174 Ca -0.22 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 3nix n LEU 174 Cb 0.64 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3nix n LEU 174 CO 0.73 0.19 1.32 -1.81 -1.33 0.00 0.00 177.39 176.49 3nix s ASP 175 N -2.51 6.48 -0.07 -1.43 1.01 -1.25 0.12 116.67 119.03 3nix s ASP 175 Ca 0.24 2.73 0.02 0.00 0.71 0.00 0.00 52.55 56.25 3nix s ASP 175 Cb 0.19 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3nix s ASP 175 CO 0.52 -0.91 -0.12 -0.75 0.21 0.00 0.00 175.17 174.12 3nix s LYS 176 N 1.36 1.72 0.91 8.23 2.20 0.51 -4.68 119.74 129.99 3nix s LYS 176 Ca 0.73 -0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.83 3nix s LYS 176 Cb -0.46 -1.45 0.14 0.00 -1.51 0.00 0.00 37.83 34.54 3nix s LYS 176 CO 0.32 -0.01 1.12 -2.14 -0.36 0.00 0.00 175.35 174.28 3nix s PRO 177 N 0.78 1.12 -0.05 4.03 0.02 -1.26 0.10 135.00 139.74 3nix s PRO 177 Ca -0.12 1.33 -0.15 0.00 0.02 0.00 0.00 61.00 62.08 3nix s PRO 177 Cb -0.15 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 3nix s PRO 177 CO 0.02 -2.49 0.62 1.03 -0.33 0.00 0.00 177.00 175.86 3nix h SER 178 N -1.76 -0.32 0.00 2.53 0.87 -1.86 -3.40 113.55 109.61 3nix h SER 178 Ca -0.46 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 3nix h SER 178 Cb 1.27 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3nix h SER 178 CO 0.46 0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 3nix n GLY 179 N 0.64 3.15 3.65 5.77 0.00 -1.26 -4.99 105.19 112.16 3nix n GLY 179 Ca -0.06 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 3nix n GLY 179 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nix n PHE 180 N 0.00 1.55 -2.28 1.61 3.72 -1.26 -4.97 117.46 115.83 3nix n PHE 180 Ca 0.00 0.51 -0.34 0.00 -0.05 0.00 0.00 57.45 57.57 3nix n PHE 180 Cb 0.00 -2.28 -0.01 0.00 -0.94 0.00 0.00 39.48 36.26 3nix n PHE 180 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3nix s GLU 181 N -2.26 3.47 0.25 -1.08 -1.05 -1.26 -4.97 118.70 111.80 3nix s GLU 181 Ca 0.65 1.41 -0.31 0.00 -0.15 0.00 0.00 54.97 56.57 3nix s GLU 181 Cb -0.51 -2.04 -0.12 0.00 -0.44 0.00 0.00 34.13 31.03 3nix s GLU 181 CO 0.55 -0.72 1.66 0.45 0.95 0.00 0.00 175.26 178.16 3nix s SER 182 N -2.14 6.36 0.43 0.83 0.15 -1.26 -5.02 113.70 113.06 3nix s SER 182 Ca 0.68 2.92 0.07 0.00 0.70 0.00 0.00 55.95 60.32 3nix s SER 182 Cb -0.19 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 3nix s SER 182 CO 0.28 -0.95 0.17 -0.13 1.20 0.00 0.00 173.24 173.80 3nix s ARG 183 N 0.34 2.19 0.13 5.44 0.52 -1.26 -4.69 118.95 121.62 3nix s ARG 183 Ca 0.69 -1.93 0.05 0.00 -0.52 0.00 0.00 55.73 54.03 3nix s ARG 183 Cb -0.49 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3nix s ARG 183 CO 0.40 -0.17 -0.12 0.50 0.02 0.00 0.00 175.30 175.93 3nix s ARG 184 N -3.91 1.04 0.06 3.54 3.52 -0.93 -0.89 118.95 121.38 3nix s ARG 184 Ca 0.37 -1.33 0.02 0.00 -0.13 0.00 0.00 55.73 54.67 3nix s ARG 184 Cb 0.04 -0.80 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 3nix s ARG 184 CO 0.20 0.13 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.67 3nix s THR 185 N -2.61 0.64 -0.06 4.11 -1.32 -0.36 -1.86 115.64 114.18 3nix s THR 185 Ca 0.12 -1.26 -0.00 0.00 -1.21 0.00 0.00 61.69 59.34 3nix s THR 185 Cb -0.02 -0.85 0.03 0.00 -1.51 0.00 0.00 72.50 70.14 3nix s THR 185 CO 0.02 -0.45 -0.02 -0.22 -2.21 0.00 0.00 174.62 171.74 3nix s LEU 186 N -1.86 0.97 0.09 9.08 0.20 -0.61 -2.83 118.68 123.72 3nix s LEU 186 Ca -0.05 -0.10 -0.08 0.00 0.69 0.00 0.00 54.13 54.58 3nix s LEU 186 Cb -0.07 -0.44 -0.00 0.00 -0.43 0.00 0.00 46.19 45.25 3nix s LEU 186 CO -0.00 -0.12 0.18 0.72 -0.29 0.00 0.00 176.35 176.84 3nix s PHE 187 N 1.43 0.16 0.23 5.38 -0.12 -0.89 -0.57 117.98 123.60 3nix s PHE 187 Ca -0.03 -0.59 -0.20 0.00 -0.05 0.00 0.00 56.93 56.06 3nix s PHE 187 Cb -0.13 -0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.22 3nix s PHE 187 CO -0.03 -0.54 0.63 -0.08 -0.05 0.00 0.00 175.22 175.16 3nix s THR 188 N -3.83 0.01 -0.16 -4.49 -1.32 -0.54 -0.85 115.64 104.46 3nix s THR 188 Ca 0.05 -0.75 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 3nix s THR 188 Cb 0.05 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 3nix s THR 188 CO -0.11 -0.03 0.37 -1.00 -2.21 0.00 0.00 174.62 171.65 3nix s HIS 189 N -3.88 3.45 -0.09 9.09 3.76 -1.26 -0.62 115.29 125.74 3nix s HIS 189 Ca 0.09 0.68 0.02 0.00 -0.15 0.00 0.00 55.06 55.70 3nix s HIS 189 Cb -0.03 -2.45 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 3nix s HIS 189 CO 0.00 0.15 -0.15 0.42 -0.85 0.00 0.00 174.74 174.31 3nix s ILE 190 N 0.76 2.91 -0.58 0.60 1.01 0.37 -1.19 121.20 125.09 3nix s ILE 190 Ca 0.20 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.84 3nix s ILE 190 Cb -0.14 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3nix s ILE 190 CO 0.07 0.56 2.01 -0.75 0.00 0.00 0.00 174.94 176.83 3nix s LYS 191 N -0.13 2.48 -1.31 2.79 2.20 -0.54 -0.92 119.74 124.31 3nix s LYS 191 Ca -0.02 0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 56.30 3nix s LYS 191 Cb -0.14 -4.44 -0.05 0.00 -1.51 0.00 0.00 37.83 31.69 3nix s LYS 191 CO 0.04 -2.89 2.40 -3.47 -0.36 0.00 0.00 175.35 171.07 3nix n ASP 192 N 13.63 5.43 -0.27 1.43 2.03 -0.61 -4.39 116.55 133.80 3nix n ASP 192 Ca 0.25 -2.63 -0.01 0.00 0.52 0.00 0.00 54.79 52.91 3nix n ASP 192 Cb 0.53 -1.44 0.11 0.00 -0.72 0.00 0.00 41.12 39.60 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 3.66 1.05 -0.30 5.18 2.07 -1.88 -2.43 116.25 123.60 3nix h VAL 193 Ca 0.63 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3nix h VAL 193 Cb 0.44 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3nix h VAL 193 CO 1.79 0.16 0.00 0.29 0.02 0.00 0.00 177.57 179.83 3nix n LYS 194 N -4.67 2.90 -1.54 1.57 5.02 -1.26 -4.96 118.16 115.22 3nix n LYS 194 Ca 0.10 -1.57 -0.43 0.00 -2.02 0.00 0.00 58.31 54.38 3nix n LYS 194 Cb 0.14 -1.85 -0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.33 0.99 -1.20 1.97 0.63 -0.92 -4.95 116.66 113.52 3nix n ARG 195 Ca 0.14 0.35 -0.29 0.00 -0.92 0.00 0.00 57.85 57.14 3nix n ARG 195 Cb 0.70 -1.73 0.18 0.00 0.45 0.00 0.00 32.46 32.06 3nix n ARG 195 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3nix s PRO 196 N -1.66 0.30 -0.00 -0.14 0.02 -1.26 -5.16 135.00 127.10 3nix s PRO 196 Ca 0.62 0.41 0.00 0.00 0.02 0.00 0.00 61.00 62.05 3nix s PRO 196 Cb -0.65 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.15 3nix s PRO 196 CO 0.58 -2.80 0.59 0.28 -0.33 0.00 0.00 177.00 175.32 3nix n VAL 197 N -4.20 0.03 0.00 3.83 0.31 -1.26 -5.14 118.33 111.89 3nix n VAL 197 Ca 0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3nix n VAL 197 Cb 0.58 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.08 0.95 1.11 2.92 0.00 -1.26 -5.23 105.19 103.76 3nix n GLY 203 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 3.68 -4.41 1.61 6.94 -1.26 -4.80 115.26 117.03 3nix n ASN 204 Ca 0.00 -3.23 -0.24 0.00 -0.02 0.00 0.00 54.58 51.09 3nix n ASN 204 Cb 0.00 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 36.72 3nix n ASN 204 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3nix s ARG 205 N -2.96 1.48 -0.12 -3.83 1.81 -1.26 0.47 118.95 114.55 3nix s ARG 205 Ca 0.45 -1.58 -0.14 0.00 -1.72 0.00 0.00 55.73 52.74 3nix s ARG 205 Cb 0.37 -1.62 -0.05 0.00 -0.45 0.00 0.00 34.95 33.21 3nix s ARG 205 CO 0.07 0.32 0.32 -1.50 -0.68 0.00 0.00 175.30 173.84 3nix s ILE 206 N -2.15 5.25 -0.18 1.52 2.07 -0.87 -4.67 121.20 122.17 3nix s ILE 206 Ca 0.22 0.62 -0.06 0.00 -1.41 0.00 0.00 60.65 60.03 3nix s ILE 206 Cb -0.06 -3.64 -0.03 0.00 0.13 0.00 0.00 42.46 38.85 3nix s ILE 206 CO 0.10 0.45 0.02 -0.89 -1.91 0.00 0.00 174.94 172.71 3nix s THR 207 N -0.02 4.38 -0.09 4.00 2.01 -0.80 -0.77 115.64 124.35 3nix s THR 207 Ca 0.19 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3nix s THR 207 Cb -0.14 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3nix s THR 207 CO 0.07 0.47 -0.11 0.00 -0.69 0.00 0.00 174.62 174.35 3nix s ALA 208 N 0.46 2.74 -0.12 7.40 0.00 -0.36 -0.50 121.76 131.39 3nix s ALA 208 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3nix s ALA 208 Cb -0.13 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.86 3nix s ALA 208 CO 0.02 0.43 -0.15 0.08 0.00 0.00 0.00 175.76 176.14 3nix s VAL 209 N -0.32 1.48 -0.55 0.00 1.01 -0.11 -0.55 120.40 121.36 3nix s VAL 209 Ca 0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 3nix s VAL 209 Cb -0.13 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3nix s VAL 209 CO 0.03 0.44 1.83 -0.69 0.00 0.00 0.00 175.10 176.71 3nix s VAL 210 N 1.11 3.40 -0.16 2.92 1.01 0.24 -1.51 120.40 127.40 3nix s VAL 210 Ca -0.04 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 3nix s VAL 210 Cb -0.14 -3.89 -0.23 0.00 0.00 0.00 0.00 36.38 32.11 3nix s VAL 210 CO -0.03 -0.81 0.37 -0.74 0.00 0.00 0.00 175.10 173.89 3nix h HIS 211 N 14.45 0.19 -4.08 5.22 6.17 -1.58 -3.42 115.15 132.10 3nix h HIS 211 Ca -0.27 -0.14 -0.44 0.00 0.71 0.00 0.00 60.37 60.23 3nix h HIS 211 Cb 1.16 -0.01 -0.14 0.00 2.52 0.00 0.00 27.41 30.95 3nix h HIS 211 CO 1.02 1.51 -0.54 0.15 0.71 0.00 0.00 177.93 180.79 3nix s LYS 212 N -2.41 1.66 0.51 5.26 -0.14 -0.03 -4.96 119.74 119.63 3nix s LYS 212 Ca -0.25 -1.96 0.23 0.00 -1.36 0.00 0.00 55.97 52.63 3nix s LYS 212 Cb 0.05 -0.02 1.37 0.00 -1.68 0.00 0.00 37.83 37.55 3nix s LYS 212 CO 0.67 -0.51 2.10 -1.00 -0.76 0.00 0.00 175.35 175.85 3nix h PRO 213 N 2.16 0.00 0.00 -1.68 0.13 -1.98 -2.58 132.00 128.04 3nix h PRO 213 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3nix h PRO 213 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3nix h PRO 213 CO 0.48 0.10 -0.00 1.63 -0.23 0.00 0.00 178.00 179.98 3nix n LYS 214 N -3.99 2.37 -4.30 0.86 4.76 -1.26 -4.80 118.16 111.79 3nix n LYS 214 Ca -0.02 -1.86 -0.19 0.00 -2.87 0.00 0.00 58.31 53.36 3nix n LYS 214 Cb 0.19 -1.17 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 3nix n LYS 214 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nix s VAL 215 N -1.64 0.65 0.14 -0.18 1.01 -0.97 -1.68 120.40 117.73 3nix s VAL 215 Ca 0.11 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3nix s VAL 215 Cb 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3nix s VAL 215 CO 0.01 0.21 0.29 -1.66 0.00 0.00 0.00 175.10 173.95 3nix s TRP 216 N 0.21 0.24 0.03 5.22 1.48 0.86 -0.85 118.94 126.13 3nix s TRP 216 Ca -0.03 -0.62 0.03 0.00 -1.06 0.00 0.00 56.10 54.43 3nix s TRP 216 Cb -0.08 0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.22 3nix s TRP 216 CO 0.00 -0.69 -0.10 0.96 -4.06 0.00 0.00 176.95 173.06 3nix s ILE 217 N -3.92 0.79 -0.14 0.66 -4.36 -0.57 0.41 121.20 114.06 3nix s ILE 217 Ca 0.12 -0.81 -0.06 0.00 -0.26 0.00 0.00 60.65 59.64 3nix s ILE 217 Cb 0.03 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.97 3nix s ILE 217 CO -0.04 -0.05 0.09 -1.66 0.24 0.00 0.00 174.94 173.51 3nix s TRP 218 N -0.78 3.38 -0.24 1.37 -2.14 0.04 -0.93 118.94 119.63 3nix s TRP 218 Ca -0.01 0.30 0.02 0.00 2.66 0.00 0.00 56.10 59.07 3nix s TRP 218 Cb -0.07 -1.98 0.05 0.00 -3.10 0.00 0.00 33.47 28.38 3nix s TRP 218 CO 0.01 0.45 -0.12 0.08 -2.66 0.00 0.00 176.95 174.71 3nix s VAL 219 N -0.41 2.04 -0.25 -0.66 1.01 0.34 -2.26 120.40 120.21 3nix s VAL 219 Ca 0.10 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.65 3nix s VAL 219 Cb -0.12 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.21 3nix s VAL 219 CO 0.02 0.06 -0.03 -0.63 0.00 0.00 0.00 175.10 174.51 3nix s ILE 220 N 1.18 1.56 -0.18 2.22 1.01 0.24 -1.90 121.20 125.34 3nix s ILE 220 Ca -0.06 -1.35 -0.27 0.00 0.00 0.00 0.00 60.65 58.97 3nix s ILE 220 Cb -0.19 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3nix s ILE 220 CO -0.07 -0.19 0.92 -2.16 0.00 0.00 0.00 174.94 173.45 3nix s PRO 221 N 1.36 4.30 0.16 2.79 0.04 -1.26 -0.11 135.00 142.29 3nix s PRO 221 Ca -0.03 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 3nix s PRO 221 Cb -0.19 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 3nix s PRO 221 CO -0.08 -0.42 0.35 -0.06 0.04 0.00 0.00 177.00 176.83 3nix s PHE 222 N 2.45 3.49 -0.80 0.56 0.08 0.30 -4.74 117.98 119.32 3nix s PHE 222 Ca 0.42 0.34 0.21 0.00 0.12 0.00 0.00 56.93 58.02 3nix s PHE 222 Cb -0.16 -1.84 0.85 0.00 -0.57 0.00 0.00 43.02 41.29 3nix s PHE 222 CO 0.12 0.44 1.65 -1.13 -0.10 0.00 0.00 175.22 176.20 3nix n SER 223 N -0.35 0.31 0.00 1.36 3.41 -1.26 -2.64 113.62 114.45 3nix n SER 223 Ca -0.05 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.18 3nix n SER 223 Cb 0.53 -0.63 0.31 0.00 -0.26 0.00 0.00 64.21 64.15 3nix n SER 223 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3nix n ASN 224 N -1.83 0.00 0.00 4.04 0.23 -1.26 -4.86 115.26 111.58 3nix n ASN 224 Ca 0.04 -1.48 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 3nix n ASN 224 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.55 1.49 3.99 4.83 0.00 -1.08 -5.04 105.19 109.93 3nix n GLY 225 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3nix n GLY 225 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nix s ASN 226 N -2.98 5.81 -0.08 1.61 0.02 -1.26 -1.58 114.94 116.49 3nix s ASN 226 Ca 0.00 -0.22 -0.03 0.00 -1.02 0.00 0.00 52.86 51.59 3nix s ASN 226 Cb 0.00 -1.04 0.04 0.00 0.02 0.00 0.00 41.25 40.27 3nix s ASN 226 CO 0.00 -0.61 0.15 -0.89 0.02 0.00 0.00 177.10 175.77 3nix s THR 227 N -2.30 -0.20 0.03 1.60 2.01 -0.10 -0.54 115.64 116.15 3nix s THR 227 Ca 0.49 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 3nix s THR 227 Cb -0.10 -0.27 -0.06 0.00 0.01 0.00 0.00 72.50 72.09 3nix s THR 227 CO 0.33 0.13 1.31 -0.55 -0.69 0.00 0.00 174.62 175.15 3nix s SER 228 N 2.00 6.95 -0.05 3.53 0.15 0.85 -0.47 113.70 126.65 3nix s SER 228 Ca 0.00 2.08 0.03 0.00 0.70 0.00 0.00 55.95 58.76 3nix s SER 228 Cb -0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3nix s SER 228 CO -0.06 -0.61 -0.15 -0.69 1.20 0.00 0.00 173.24 172.93 3nix s VAL 229 N 1.72 1.34 -0.03 4.45 1.01 0.21 -0.59 120.40 128.51 3nix s VAL 229 Ca 0.61 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3nix s VAL 229 Cb -0.31 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3nix s VAL 229 CO 0.27 0.39 0.07 -0.83 0.00 0.00 0.00 175.10 175.00 3nix s GLY 230 N 0.29 0.04 -0.25 4.51 0.00 -0.96 -1.47 107.32 109.47 3nix s GLY 230 Ca -0.09 0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 3nix s GLY 230 CO 0.03 0.68 0.42 -1.36 0.00 0.00 0.00 173.10 172.87 3nix s PHE 231 N 0.91 3.28 -0.06 1.90 0.40 0.26 -0.78 117.98 123.89 3nix s PHE 231 Ca -0.07 0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 3nix s PHE 231 Cb -0.10 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 3nix s PHE 231 CO -0.03 -0.20 -0.21 0.08 0.70 0.00 0.00 175.22 175.55 3nix s VAL 232 N 2.00 1.78 -5.00 -0.44 1.01 0.16 -1.58 120.40 118.34 3nix s VAL 232 Ca 0.18 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3nix s VAL 232 Cb -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3nix s VAL 232 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3nix n GLY 233 N 3.11 -0.15 3.67 4.51 0.00 -0.78 -0.10 105.19 115.46 3nix n GLY 233 Ca -0.18 -1.06 -0.49 0.00 0.00 0.00 0.00 46.02 44.29 3nix n GLY 233 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nix n GLU 234 N 0.00 2.08 -0.14 1.61 1.02 -0.68 -2.19 120.64 122.34 3nix n GLU 234 Ca 0.00 0.75 0.09 0.00 -0.02 0.00 0.00 57.16 57.98 3nix n GLU 234 Cb 0.00 -2.63 0.41 0.00 -0.02 0.00 0.00 31.44 29.20 3nix n GLU 234 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3nix h PRO 235 N 9.47 0.60 0.00 3.49 0.11 -1.91 0.58 132.00 144.35 3nix h PRO 235 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3nix h PRO 235 Cb 1.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3nix h PRO 235 CO 0.95 0.40 -0.03 0.66 -0.21 0.00 0.00 178.00 179.77 3nix h SER 236 N 0.62 0.00 -0.30 -2.05 4.64 -1.98 -0.97 113.55 113.51 3nix h SER 236 Ca 0.30 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.51 3nix h SER 236 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3nix h SER 236 CO -0.10 0.03 -0.25 0.22 -0.87 0.00 0.00 176.83 175.87 3nix h TYR 237 N 0.00 0.83 -0.20 4.77 3.20 -1.24 -3.11 116.97 121.22 3nix h TYR 237 Ca -0.00 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 61.59 3nix h TYR 237 Cb 0.16 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3nix h TYR 237 CO 0.00 0.97 -0.09 0.74 -1.64 0.00 0.00 178.16 178.14 3nix h PHE 238 N 0.44 0.32 0.00 -3.82 -1.00 -1.20 -2.16 116.94 109.52 3nix h PHE 238 Ca 0.05 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3nix h PHE 238 Cb 0.81 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.28 3nix h PHE 238 CO 0.07 0.40 0.00 -0.25 -1.61 0.00 0.00 178.31 176.92 3nix n ASP 239 N -4.29 0.31 0.00 2.17 8.00 -1.06 -1.55 116.55 120.13 3nix n ASP 239 Ca -0.00 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.17 3nix n ASP 239 Cb 0.25 -0.64 0.51 0.00 -0.02 0.00 0.00 41.12 41.22 3nix n ASP 239 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3nix n GLU 240 N -1.83 0.15 -4.69 -1.24 1.02 -0.81 -4.72 120.64 108.51 3nix n GLU 240 Ca 0.04 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 3nix n GLU 240 Cb 0.23 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 3nix n GLU 240 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3nix s TYR 241 N -2.80 2.87 0.19 -0.32 2.02 -0.60 -5.12 117.35 113.60 3nix s TYR 241 Ca 0.15 -0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.76 3nix s TYR 241 Cb 0.14 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 3nix s TYR 241 CO 0.37 0.16 -0.03 -0.08 -1.57 0.00 0.00 175.55 174.39 3nix s THR 242 N -0.45 3.48 0.00 -0.71 -1.32 -1.26 -4.99 115.64 110.39 3nix s THR 242 Ca 0.06 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 3nix s THR 242 Cb -0.12 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 3nix s THR 242 CO 0.02 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 3nix n GLY 243 N -0.22 0.24 3.92 6.08 0.00 -1.26 -4.29 105.19 109.66 3nix n GLY 243 Ca -0.09 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 3nix n GLY 243 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nix s THR 244 N 0.00 5.20 0.39 2.61 -1.32 -1.26 -4.84 115.64 116.42 3nix s THR 244 Ca 0.00 -0.23 0.22 0.00 -1.21 0.00 0.00 61.69 60.47 3nix s THR 244 Cb 0.00 -3.69 0.40 0.00 -1.51 0.00 0.00 72.50 67.70 3nix s THR 244 CO 0.00 -0.10 1.65 -0.65 -2.21 0.00 0.00 174.62 173.31 3nix h PRO 245 N 2.29 0.19 0.01 7.08 0.11 -1.95 0.74 132.00 140.48 3nix h PRO 245 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3nix h PRO 245 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3nix h PRO 245 CO 0.70 0.13 -0.00 1.49 -0.21 0.00 0.00 178.00 180.10 3nix h GLU 246 N 0.20 -0.01 -0.61 1.05 4.81 -1.94 -3.28 114.58 114.80 3nix h GLU 246 Ca 0.77 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 60.12 3nix h GLU 246 Cb 2.09 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.38 3nix h GLU 246 CO -0.51 0.51 0.10 0.93 -0.73 0.00 0.00 179.01 179.32 3nix h GLU 247 N -0.55 0.22 -0.93 1.92 5.08 -0.04 -0.87 114.58 119.42 3nix h GLU 247 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3nix h GLU 247 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3nix h GLU 247 CO 0.00 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.70 3nix n ARG 248 N -5.16 0.31 0.00 2.33 1.74 0.69 -1.60 116.66 114.96 3nix n ARG 248 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3nix n ARG 248 Cb 0.34 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.57 0.00 0.00 5.56 1.74 -0.33 -4.61 116.66 119.59 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 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 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 1.08 0.00 7.54 0.00 -0.63 -1.35 120.51 127.16 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 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.07 0.00 5.41 -1.26 -2.03 119.36 121.81 3nix n ILE 253 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 3nix n ILE 253 Cb 0.00 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 39.33 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 1.58 0.00 -1.39 0.00 -1.51 -1.69 119.26 116.24 3nix h ALA 254 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3nix h ALA 254 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3nix h ALA 254 CO 0.00 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.65 3nix n ASN 255 N -4.36 0.01 -3.73 0.00 4.13 -0.86 -4.59 115.26 105.85 3nix n ASN 255 Ca 0.01 -1.18 -0.25 0.00 1.68 0.00 0.00 54.58 54.83 3nix n ASN 255 Cb 0.19 -0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.25 3nix n ASN 255 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3nix s GLU 256 N -1.99 0.56 0.21 3.52 2.56 -0.64 -5.06 118.70 117.86 3nix s GLU 256 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.97 54.66 3nix s GLU 256 Cb 0.00 -1.60 0.21 0.00 2.00 0.00 0.00 34.13 34.74 3nix s GLU 256 CO 0.00 -0.51 1.61 0.78 -0.56 0.00 0.00 175.26 176.59 3nix h GLY 257 N 8.30 0.30 1.90 -1.50 0.00 -1.84 0.17 103.07 110.41 3nix h GLY 257 Ca -0.17 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.45 3nix h GLY 257 CO 0.30 -0.24 0.04 0.84 0.00 0.00 0.00 176.54 177.47 3nix h HIS 258 N -0.05 0.00 0.00 5.60 6.17 -1.94 -3.27 115.15 121.66 3nix h HIS 258 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.37 3nix h HIS 258 Cb 0.51 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.44 3nix h HIS 258 CO -0.56 0.00 -0.47 0.44 0.71 0.00 0.00 177.93 178.05 3nix n ILE 259 N -3.97 0.00 -0.31 6.26 -5.35 -1.02 -4.85 119.36 110.12 3nix n ILE 259 Ca -0.02 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 3nix n ILE 259 Cb 0.13 0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 38.55 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 -0.58 -0.49 -1.28 0.00 -1.02 -2.12 119.26 113.77 3nix h ALA 260 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3nix h ALA 260 Cb 0.00 1.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3nix h ALA 260 CO 0.00 -0.93 -0.09 1.49 0.00 0.00 0.00 179.25 179.71 3nix h GLU 261 N -0.11 0.90 -0.64 0.00 4.57 -1.86 -2.04 114.58 115.39 3nix h GLU 261 Ca 0.12 -0.31 0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3nix h GLU 261 Cb 0.43 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 3nix h GLU 261 CO -0.78 0.95 0.23 -0.09 -1.18 0.00 0.00 179.01 178.14 3nix h ARG 262 N 0.81 0.38 -0.01 1.92 2.43 -1.72 -3.14 114.38 115.05 3nix h ARG 262 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3nix h ARG 262 Cb 0.61 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3nix h ARG 262 CO 0.04 0.25 -0.15 1.19 -1.51 0.00 0.00 179.97 179.79 3nix n PHE 263 N -5.02 0.00 -1.64 2.20 3.72 -1.03 -4.42 117.46 111.27 3nix n PHE 263 Ca 0.10 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.04 3nix n PHE 263 Cb 0.31 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 3nix n PHE 263 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3nix n LYS 264 N 0.25 2.27 -0.91 -1.08 4.81 -0.77 -1.65 118.16 121.07 3nix n LYS 264 Ca 0.07 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 3nix n LYS 264 Cb 0.31 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.52 3nix n LYS 264 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3nix n SER 265 N 8.00 -0.10 -4.82 3.14 7.64 -1.26 -5.01 113.62 121.21 3nix n SER 265 Ca 0.25 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.81 3nix n SER 265 Cb 0.35 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.20 3.12 0.29 1.43 0.41 -0.66 -5.00 118.70 118.10 3nix s GLU 266 Ca 0.00 1.02 -0.28 0.00 -0.41 0.00 0.00 54.97 55.31 3nix s GLU 266 Cb 0.00 -2.01 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 3nix s GLU 266 CO 0.00 -0.95 0.98 -2.00 -0.49 0.00 0.00 175.26 172.79 3nix s GLU 267 N -4.71 4.66 -0.26 1.61 2.12 -1.26 -4.88 118.70 115.98 3nix s GLU 267 Ca 0.60 1.48 -0.12 0.00 0.36 0.00 0.00 54.97 57.29 3nix s GLU 267 Cb -0.14 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 3nix s GLU 267 CO 0.48 0.32 0.24 -0.06 -0.54 0.00 0.00 175.26 175.70 3nix s PHE 268 N -1.38 3.26 0.44 5.30 0.40 -1.26 -1.46 117.98 123.27 3nix s PHE 268 Ca 0.47 0.25 0.14 0.00 -0.60 0.00 0.00 56.93 57.18 3nix s PHE 268 Cb -0.24 -2.40 0.98 0.00 0.51 0.00 0.00 43.02 41.87 3nix s PHE 268 CO 0.30 -0.11 1.98 -0.07 0.70 0.00 0.00 175.22 178.02 3nix h LEU 269 N 8.15 0.00 -7.41 -0.37 -0.00 -1.54 -3.44 115.31 110.70 3nix h LEU 269 Ca -0.35 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.47 3nix h LEU 269 Cb 1.18 -0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.70 3nix h LEU 269 CO 0.61 0.20 -0.10 0.72 -0.00 0.00 0.00 178.44 179.87 3nix s PHE 270 N -4.61 -0.20 0.13 1.13 -0.71 -1.26 -5.05 117.98 107.42 3nix s PHE 270 Ca -0.04 -0.05 -0.35 0.00 -1.04 0.00 0.00 56.93 55.45 3nix s PHE 270 Cb 0.16 0.23 -0.16 0.00 -1.21 0.00 0.00 43.02 42.04 3nix s PHE 270 CO 0.70 -0.66 1.33 -1.91 -1.34 0.00 0.00 175.22 173.34 3nix n GLU 271 N -0.04 1.36 -1.65 1.99 2.13 -1.26 -4.75 120.64 118.41 3nix n GLU 271 Ca -0.17 0.49 -0.47 0.00 0.66 0.00 0.00 57.16 57.68 3nix n GLU 271 Cb 0.63 -2.11 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 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 2.40 1.92 -4.05 5.31 -0.02 -1.26 -4.92 135.00 134.37 3nix n PRO 272 Ca 0.17 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 62.04 3nix n PRO 272 Cb 0.23 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.35 2.93 -0.10 -0.52 0.52 -0.03 -4.81 118.95 117.29 3nix s ARG 273 Ca 0.76 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 3nix s ARG 273 Cb -0.72 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3nix s ARG 273 CO 0.44 0.55 -0.03 0.99 0.02 0.00 0.00 175.30 177.27 3nix s THR 274 N -1.49 4.02 -0.07 0.02 2.01 -1.26 -2.09 115.64 116.78 3nix s THR 274 Ca 0.30 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.97 3nix s THR 274 Cb -0.12 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.71 3nix s THR 274 CO 0.23 0.57 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.03 3nix s ILE 275 N -0.46 0.80 0.10 1.82 1.01 -1.13 -5.00 121.20 118.34 3nix s ILE 275 Ca 0.08 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.57 3nix s ILE 275 Cb -0.12 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3nix s ILE 275 CO 0.02 0.30 -0.18 -0.70 0.00 0.00 0.00 174.94 174.38 3nix s GLU 276 N 1.20 1.02 -1.37 2.79 2.12 -1.26 -1.23 118.70 121.97 3nix s GLU 276 Ca -0.06 -1.11 -0.06 0.00 0.36 0.00 0.00 54.97 54.10 3nix s GLU 276 Cb -0.14 -1.16 0.03 0.00 0.26 0.00 0.00 34.13 33.11 3nix s GLU 276 CO -0.02 0.26 0.96 0.41 -0.54 0.00 0.00 175.26 176.34 3nix n GLY 277 N 1.08 -0.43 0.10 -1.50 0.00 -0.06 -4.88 105.19 99.50 3nix n GLY 277 Ca -0.20 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.56 0.81 -3.18 1.61 0.18 -1.26 -4.74 117.16 106.01 3nix n TYR 278 Ca -0.12 0.25 -0.40 0.00 1.88 0.00 0.00 57.90 59.51 3nix n TYR 278 Cb 0.60 -0.91 -0.06 0.00 -0.38 0.00 0.00 39.34 38.59 3nix n TYR 278 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3nix s ALA 279 N -3.13 3.54 0.18 -3.48 0.00 -1.26 -4.78 121.76 112.83 3nix s ALA 279 Ca 0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 3nix s ALA 279 Cb 0.12 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3nix s ALA 279 CO 0.55 -0.50 0.38 -1.50 0.00 0.00 0.00 175.76 174.68 3nix s ILE 280 N 1.78 0.05 0.37 0.00 1.10 -1.19 -4.44 121.20 118.86 3nix s ILE 280 Ca 0.26 -1.17 0.05 0.00 -0.51 0.00 0.00 60.65 59.28 3nix s ILE 280 Cb -0.16 -1.76 -0.03 0.00 0.15 0.00 0.00 42.46 40.67 3nix s ILE 280 CO 0.10 -0.23 0.18 -0.55 -2.11 0.00 0.00 174.94 172.33 3nix s SER 281 N -2.94 2.29 0.03 4.50 0.15 0.28 -2.30 113.70 115.72 3nix s SER 281 Ca 0.14 -1.69 0.07 0.00 0.70 0.00 0.00 55.95 55.17 3nix s SER 281 Cb 0.02 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 3nix s SER 281 CO -0.01 -0.97 -0.20 0.00 1.20 0.00 0.00 173.24 173.26 3nix s ALA 282 N -3.33 1.72 0.28 5.45 0.00 -0.98 -0.36 121.76 124.53 3nix s ALA 282 Ca 0.30 -1.01 0.14 0.00 0.00 0.00 0.00 51.96 51.40 3nix s ALA 282 Cb 0.03 -0.36 0.61 0.00 0.00 0.00 0.00 23.12 23.40 3nix s ALA 282 CO 0.19 0.39 1.73 0.66 0.00 0.00 0.00 175.76 178.73 3nix h SER 283 N 5.05 0.00 -5.04 0.00 4.64 0.70 -3.43 113.55 115.46 3nix h SER 283 Ca -0.41 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 3nix h SER 283 Cb 1.16 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 3nix h SER 283 CO 0.45 0.45 -0.19 -1.59 -0.87 0.00 0.00 176.83 175.09 3nix s LYS 284 N -3.81 0.85 0.00 4.77 -2.85 -1.26 -5.07 119.74 112.36 3nix s LYS 284 Ca -0.01 -0.42 0.20 0.00 -1.00 0.00 0.00 55.97 54.73 3nix s LYS 284 Cb 0.13 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 3nix s LYS 284 CO 0.72 -0.28 0.97 1.28 0.10 0.00 0.00 175.35 178.15 3nix n LEU 285 N 0.59 1.82 -3.76 2.77 4.32 -1.26 -4.92 117.00 116.56 3nix n LEU 285 Ca -0.19 -0.75 -0.08 0.00 -0.02 0.00 0.00 56.01 54.97 3nix n LEU 285 Cb 0.59 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.37 3nix n LEU 285 CO 0.21 0.34 0.42 -0.72 -1.22 0.00 0.00 177.39 176.43 3nix s TYR 286 N -2.23 -0.24 0.21 -1.77 1.13 -1.26 -0.86 117.35 112.32 3nix s TYR 286 Ca 0.16 -0.15 -0.19 0.00 -1.41 0.00 0.00 57.07 55.48 3nix s TYR 286 Cb 0.16 0.63 0.07 0.00 -1.10 0.00 0.00 41.96 41.71 3nix s TYR 286 CO 0.51 -1.11 0.92 0.41 -2.51 0.00 0.00 175.55 173.77 3nix n GLY 287 N -0.43 0.72 3.53 5.49 0.00 -0.69 -5.00 105.19 108.81 3nix n GLY 287 Ca -0.07 -1.16 -0.51 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.30 2.41 0.00 1.61 8.00 -1.26 -2.07 116.55 123.94 3nix n ASP 288 Ca -0.03 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.06 3nix n ASP 288 Cb 0.55 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 5.86 0.56 3.36 0.44 0.00 -1.26 -4.76 105.19 109.39 3nix n GLY 289 Ca 0.36 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 3nix n GLY 289 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3nix s PHE 290 N -2.00 -0.34 0.00 1.61 -0.71 -0.88 0.30 117.98 115.97 3nix s PHE 290 Ca 0.00 0.27 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 3nix s PHE 290 Cb 0.00 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 3nix s PHE 290 CO 0.00 -0.65 -0.06 0.54 -1.34 0.00 0.00 175.22 173.71 3nix s VAL 291 N -2.81 0.48 0.18 -2.49 0.11 -0.86 -1.71 120.40 113.30 3nix s VAL 291 Ca -0.03 -0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 58.53 3nix s VAL 291 Cb -0.00 -0.43 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 3nix s VAL 291 CO -0.05 0.04 0.50 -0.76 -3.33 0.00 0.00 175.10 171.50 3nix s LEU 292 N -0.39 4.24 0.27 2.54 1.43 -0.04 -1.70 118.68 125.03 3nix s LEU 292 Ca 0.00 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 3nix s LEU 292 Cb -0.04 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 3nix s LEU 292 CO -0.00 0.01 0.10 0.42 0.23 0.00 0.00 176.35 177.11 3nix s THR 293 N -1.67 0.58 0.00 5.49 -4.23 -0.57 -4.86 115.64 110.38 3nix s THR 293 Ca 0.43 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3nix s THR 293 Cb -0.12 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3nix s THR 293 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 3nix n GLY 294 N -0.49 1.39 0.00 3.99 0.00 -1.26 -1.70 105.19 107.11 3nix n GLY 294 Ca -0.00 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.14 0.00 -0.51 1.61 5.03 -1.26 -1.00 115.26 116.99 3nix n ASN 295 Ca 0.00 -0.12 0.07 0.00 0.87 0.00 0.00 54.58 55.40 3nix n ASN 295 Cb 0.00 -0.15 0.26 0.00 -1.02 0.00 0.00 39.78 38.87 3nix n ASN 295 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nix n ALA 296 N -1.15 2.49 -2.00 5.41 0.00 -0.69 -4.55 120.51 120.02 3nix n ALA 296 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3nix n ALA 296 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.27 0.00 -4.08 0.00 -1.04 -0.17 -4.69 114.28 104.56 3nix n THR 297 Ca 0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.94 3nix n THR 297 Cb 0.27 -0.19 -0.16 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.23 0.68 -0.09 -2.82 2.12 -1.25 -2.33 118.70 115.25 3nix s GLU 298 Ca 0.00 -0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 3nix s GLU 298 Cb 0.00 -0.76 -0.03 0.00 0.26 0.00 0.00 34.13 33.60 3nix s GLU 298 CO 0.00 -0.11 -0.01 0.12 -0.54 0.00 0.00 175.26 174.72 3nix s PHE 299 N 1.01 3.12 0.00 5.30 5.36 -0.97 -4.79 117.98 127.00 3nix s PHE 299 Ca -0.10 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 3nix s PHE 299 Cb -0.14 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 3nix s PHE 299 CO -0.01 0.42 0.00 1.28 -1.46 0.00 0.00 175.22 175.45 3nix n LEU 300 N 2.23 0.21 -3.54 6.12 4.77 -1.26 -3.18 117.00 122.34 3nix n LEU 300 Ca -0.18 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.76 3nix n LEU 300 Cb 0.53 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3nix n LEU 300 CO 0.28 -0.24 0.82 -0.62 -1.33 0.00 0.00 177.39 176.30 3nix s ASP 301 N -2.36 -0.28 0.00 -1.43 2.15 -1.26 -4.60 116.67 108.89 3nix s ASP 301 Ca 0.00 0.03 0.31 0.00 0.43 0.00 0.00 52.55 53.32 3nix s ASP 301 Cb 0.00 0.28 1.61 0.00 -0.30 0.00 0.00 42.92 44.52 3nix s ASP 301 CO 0.00 -0.45 2.07 -0.81 -0.17 0.00 0.00 175.17 175.81 3nix n PRO 302 N -0.11 1.16 -2.36 4.34 -0.04 -1.26 -4.67 135.00 132.06 3nix n PRO 302 Ca -0.05 -0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 62.71 3nix n PRO 302 Cb 0.60 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3nix n PRO 302 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3nix s ILE 303 N -2.04 3.33 0.00 0.52 1.01 -1.26 -2.42 121.20 120.34 3nix s ILE 303 Ca 0.44 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.35 3nix s ILE 303 Cb 0.22 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3nix s ILE 303 CO 0.37 0.27 0.00 0.49 0.00 0.00 0.00 174.94 176.07 3nix n PHE 304 N 1.53 0.00 -4.00 3.97 3.72 -1.26 -4.50 117.46 116.92 3nix n PHE 304 Ca 0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 3nix n PHE 304 Cb 0.44 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3nix n PHE 304 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3nix n SER 305 N -0.02 -3.25 -0.21 4.37 7.64 -1.01 -4.85 113.62 116.29 3nix n SER 305 Ca 0.00 -1.19 0.10 0.00 1.01 0.00 0.00 58.87 58.79 3nix n SER 305 Cb 0.01 -2.26 -0.07 0.00 -1.01 0.00 0.00 64.21 60.87 3nix n SER 305 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3nix n SER 306 N -2.49 1.43 0.42 6.43 3.41 -1.26 -4.58 113.62 116.98 3nix n SER 306 Ca -0.16 -1.21 -0.16 0.00 -0.26 0.00 0.00 58.87 57.07 3nix n SER 306 Cb 0.60 0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 65.25 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 4.94 -1.12 0.06 5.00 0.00 -1.88 -0.02 103.07 110.05 3nix h GLY 307 Ca 0.00 0.41 0.21 0.00 0.00 0.00 0.00 47.33 47.96 3nix h GLY 307 CO 0.00 -0.41 0.62 0.00 0.00 0.00 0.00 176.54 176.75 3nix h ALA 308 N -1.50 1.83 -0.17 3.60 0.00 -1.87 -0.51 119.26 120.63 3nix h ALA 308 Ca -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3nix h ALA 308 Cb 0.82 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3nix h ALA 308 CO 0.18 -0.22 -0.05 1.15 0.00 0.00 0.00 179.25 180.31 3nix h THR 309 N 0.64 1.29 -0.59 0.00 2.02 -1.73 -2.61 112.91 111.93 3nix h THR 309 Ca 0.58 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3nix h THR 309 Cb 1.07 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 3nix h THR 309 CO -0.36 0.31 0.37 -0.26 0.37 0.00 0.00 175.52 175.94 3nix h PHE 310 N 0.04 0.77 0.00 3.16 0.04 -0.01 0.25 116.94 121.19 3nix h PHE 310 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3nix h PHE 310 Cb 0.50 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3nix h PHE 310 CO 0.05 0.50 0.00 0.00 -0.60 0.00 0.00 178.31 178.27 3nix n ALA 311 N -2.45 1.11 0.00 2.45 0.00 -0.30 0.35 120.51 121.67 3nix n ALA 311 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3nix n ALA 311 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.43 0.00 0.07 0.00 4.07 0.87 -0.95 120.64 125.13 3nix n GLU 313 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 3nix n GLU 313 Cb 0.01 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.27 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 0.15 -0.57 4.31 4.64 -0.36 -1.07 113.55 120.65 3nix h SER 314 Ca 0.00 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3nix h SER 314 Cb 0.00 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3nix h SER 314 CO 0.00 1.13 0.31 1.23 -0.87 0.00 0.00 176.83 178.63 3nix h GLY 315 N 2.53 0.86 0.81 -0.77 0.00 -1.26 0.23 103.07 105.48 3nix h GLY 315 Ca -0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3nix h GLY 315 CO 0.15 0.38 -0.43 0.23 0.00 0.00 0.00 176.54 176.88 3nix h SER 316 N 0.77 -1.03 -0.94 0.19 0.87 -1.76 0.25 113.55 111.91 3nix h SER 316 Ca 0.20 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3nix h SER 316 Cb 0.06 0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 3nix h SER 316 CO -0.03 -0.70 0.61 0.11 -0.53 0.00 0.00 176.83 176.30 3nix h LYS 317 N -1.14 1.11 -0.19 2.24 6.56 -1.20 -1.59 116.57 122.36 3nix h LYS 317 Ca -0.11 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.34 3nix h LYS 317 Cb 0.88 -0.25 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 3nix h LYS 317 CO 0.16 0.73 -0.18 0.78 -2.06 0.00 0.00 179.45 178.88 3nix h GLY 318 N 1.14 0.50 0.96 3.86 0.00 -0.36 -1.57 103.07 107.60 3nix h GLY 318 Ca 0.39 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3nix h GLY 318 CO -0.13 0.46 0.15 -1.33 0.00 0.00 0.00 176.54 175.69 3nix h GLY 319 N 0.13 0.40 0.53 4.60 0.00 -0.29 -1.03 103.07 107.41 3nix h GLY 319 Ca 0.03 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.23 3nix h GLY 319 CO 0.05 0.17 -0.05 0.50 0.00 0.00 0.00 176.54 177.20 3nix h LYS 320 N 0.32 0.01 -0.74 4.80 1.57 -1.21 -1.19 116.57 120.14 3nix h LYS 320 Ca 0.09 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3nix h LYS 320 Cb 0.05 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3nix h LYS 320 CO -0.02 0.01 0.25 -0.07 -0.57 0.00 0.00 179.45 179.05 3nix h LEU 321 N 0.01 1.06 -1.01 2.94 3.38 -1.16 -2.34 115.31 118.19 3nix h LEU 321 Ca 0.12 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3nix h LEU 321 Cb 0.18 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3nix h LEU 321 CO -0.24 0.97 0.65 0.00 0.09 0.00 0.00 178.44 179.91 3nix h ALA 322 N 1.13 1.42 -0.59 1.53 0.00 -0.34 -0.37 119.26 122.03 3nix h ALA 322 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3nix h ALA 322 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3nix h ALA 322 CO -0.01 0.43 0.38 0.28 0.00 0.00 0.00 179.25 180.33 3nix h VAL 323 N 1.16 1.12 -0.84 0.00 2.07 -0.72 0.24 116.25 119.29 3nix h VAL 323 Ca 0.44 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.75 3nix h VAL 323 Cb 0.20 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3nix h VAL 323 CO -0.18 0.14 0.52 1.56 0.02 0.00 0.00 177.57 179.63 3nix h GLN 324 N 0.77 0.94 -0.33 1.57 4.20 -0.79 0.34 115.11 121.82 3nix h GLN 324 Ca 0.22 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3nix h GLN 324 Cb -0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3nix h GLN 324 CO -0.06 0.62 0.04 0.35 -0.67 0.00 0.00 178.83 179.11 3nix h PHE 325 N 0.97 0.60 -0.00 2.96 3.57 -0.18 -1.05 116.94 123.82 3nix h PHE 325 Ca 0.36 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 3nix h PHE 325 Cb 0.13 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3nix h PHE 325 CO -0.03 0.65 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.34 3nix h LEU 326 N 0.39 0.01 -0.07 0.59 3.38 0.19 -2.25 115.31 117.55 3nix h LEU 326 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3nix h LEU 326 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3nix h LEU 326 CO 0.01 0.30 -0.00 0.29 0.09 0.00 0.00 178.44 179.13 3nix n LYS 327 N -4.19 1.01 -0.50 1.13 5.02 0.04 -4.86 118.16 115.81 3nix n LYS 327 Ca -0.02 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3nix n LYS 327 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.03 1.09 3.57 0.72 0.00 -0.84 -5.04 105.19 105.71 3nix n GLY 328 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.35 -0.55 -0.03 1.61 2.02 -0.42 -5.01 118.70 115.97 3nix s GLU 329 Ca 0.00 0.52 -0.18 0.00 0.02 0.00 0.00 54.97 55.34 3nix s GLU 329 Cb 0.00 -1.62 -0.05 0.00 0.10 0.00 0.00 34.13 32.56 3nix s GLU 329 CO 0.00 -3.40 0.49 -2.00 0.02 0.00 0.00 175.26 170.37 3nix s GLU 330 N -4.82 4.19 -0.11 1.61 2.56 -1.26 -4.59 118.70 116.26 3nix s GLU 330 Ca 0.67 0.53 0.03 0.00 0.00 0.00 0.00 54.97 56.20 3nix s GLU 330 Cb -0.20 -3.32 0.01 0.00 2.00 0.00 0.00 34.13 32.61 3nix s GLU 330 CO 0.60 0.43 -0.20 0.08 -0.56 0.00 0.00 175.26 175.61 3nix s VAL 331 N -0.30 1.86 -1.12 3.70 1.01 -1.26 -4.95 120.40 119.35 3nix s VAL 331 Ca 0.26 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3nix s VAL 331 Cb -0.17 -1.64 0.22 0.00 0.00 0.00 0.00 36.38 34.79 3nix s VAL 331 CO 0.14 0.51 1.22 0.21 0.00 0.00 0.00 175.10 177.18 3nix s ASN 332 N 0.69 7.13 0.21 3.32 3.84 -1.26 -4.86 114.94 124.01 3nix s ASN 332 Ca -0.11 -3.18 -0.07 0.00 0.21 0.00 0.00 52.86 49.71 3nix s ASN 332 Cb -0.16 -2.30 0.16 0.00 -0.55 0.00 0.00 41.25 38.39 3nix s ASN 332 CO 0.02 -0.55 1.71 -0.50 -2.79 0.00 0.00 177.10 174.99 3nix h TRP 333 N 7.09 1.11 0.00 0.43 4.06 -1.96 0.12 115.95 126.80 3nix h TRP 333 Ca 0.23 -0.16 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 3nix h TRP 333 Cb 0.90 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 3nix h TRP 333 CO 0.95 0.95 -0.21 1.49 -3.56 0.00 0.00 178.44 178.05 3nix h GLU 334 N 0.98 0.00 0.00 0.49 4.57 -1.96 -1.63 114.58 117.03 3nix h GLU 334 Ca 0.19 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.01 3nix h GLU 334 Cb 0.45 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 3nix h GLU 334 CO 0.01 0.21 -2.27 1.17 -1.18 0.00 0.00 179.01 176.95 3nix n LYS 335 N -3.70 0.51 0.09 1.92 4.81 -1.13 -2.05 118.16 118.62 3nix n LYS 335 Ca -0.01 0.18 0.13 0.00 -0.87 0.00 0.00 58.31 57.73 3nix n LYS 335 Cb 0.33 -1.37 0.34 0.00 0.02 0.00 0.00 35.03 34.35 3nix n LYS 335 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3nix n ASP 336 N -3.69 0.80 0.02 3.14 8.00 0.41 -3.23 116.55 121.98 3nix n ASP 336 Ca -0.43 0.45 -0.00 0.00 0.71 0.00 0.00 54.79 55.52 3nix n ASP 336 Cb 0.86 -0.54 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.23 0.00 -0.22 1.24 7.35 -0.69 -4.65 117.46 118.26 3nix n PHE 337 Ca 0.05 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.68 3nix n PHE 337 Cb 0.43 -0.02 0.04 0.00 0.35 0.00 0.00 39.48 40.29 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 -0.04 1.16 -0.23 -2.13 2.07 -1.45 -3.11 116.25 112.52 3nix h VAL 338 Ca 0.00 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3nix h VAL 338 Cb 0.04 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3nix h VAL 338 CO 0.00 0.15 -0.09 -0.33 0.02 0.00 0.00 177.57 177.32 3nix h GLU 339 N 0.84 0.48 -4.48 1.57 5.08 -1.45 -3.40 114.58 113.22 3nix h GLU 339 Ca 0.23 -0.20 -0.48 0.00 -1.00 0.00 0.00 59.36 57.91 3nix h GLU 339 Cb -0.10 -0.02 0.08 0.00 0.50 0.00 0.00 28.75 29.21 3nix h GLU 339 CO -0.05 0.73 1.72 1.58 -1.00 0.00 0.00 179.01 182.00 3nix n HIS 340 N -4.53 0.71 0.00 4.33 -0.00 -1.18 -4.66 115.22 109.90 3nix n HIS 340 Ca -0.04 -1.06 0.00 0.00 0.46 0.00 0.00 57.72 57.08 3nix n HIS 340 Cb 0.32 -1.11 0.00 0.00 -0.12 0.00 0.00 29.99 29.08 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 6.71 0.00 0.17 1.57 -0.06 -1.26 -4.71 117.38 119.80 3nix n GLN 343 Ca 0.39 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.25 3nix n GLN 343 Cb 0.30 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.40 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 -0.46 0.61 1.69 0.00 -1.83 -2.89 103.07 100.19 3nix h GLY 344 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.55 3nix h GLY 344 CO 0.00 -0.17 0.04 -2.22 0.00 0.00 0.00 176.54 174.19 3nix h ILE 345 N -0.70 0.83 -0.24 2.60 1.08 -1.93 -2.14 117.51 117.01 3nix h ILE 345 Ca -0.04 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 3nix h ILE 345 Cb 0.48 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3nix h ILE 345 CO 0.07 0.02 0.03 0.44 -0.69 0.00 0.00 178.15 178.03 3nix h ASP 346 N 0.13 0.32 -0.04 1.72 3.32 -1.98 0.13 116.42 120.03 3nix h ASP 346 Ca 0.14 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3nix h ASP 346 Cb 0.16 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3nix h ASP 346 CO -0.20 0.36 0.01 0.74 -1.72 0.00 0.00 179.24 178.42 3nix h THR 347 N 0.35 1.19 -0.40 0.35 2.02 -1.20 -1.60 112.91 113.61 3nix h THR 347 Ca 0.08 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 3nix h THR 347 Cb 0.19 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3nix h THR 347 CO 0.00 0.15 -0.08 -0.26 0.37 0.00 0.00 175.52 175.70 3nix h PHE 348 N -0.16 0.75 -0.91 3.16 0.04 -0.76 -2.87 116.94 116.19 3nix h PHE 348 Ca 0.01 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.67 3nix h PHE 348 Cb 0.23 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 3nix h PHE 348 CO 0.00 0.75 0.60 -0.09 -0.60 0.00 0.00 178.31 178.97 3nix h ARG 349 N 0.64 1.18 -0.64 1.51 2.43 -0.66 0.26 114.38 119.10 3nix h ARG 349 Ca 0.12 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3nix h ARG 349 Cb 0.51 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3nix h ARG 349 CO 0.03 0.78 0.43 0.77 -1.51 0.00 0.00 179.97 180.47 3nix h SER 350 N 1.22 0.74 -0.46 -3.80 0.02 -1.10 -1.36 113.55 108.81 3nix h SER 350 Ca 0.34 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.17 3nix h SER 350 Cb -0.12 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3nix h SER 350 CO -0.08 0.53 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.82 3nix h PHE 351 N 0.87 1.00 -0.95 3.45 -1.00 -1.10 -0.80 116.94 118.42 3nix h PHE 351 Ca 0.24 -0.18 0.02 0.00 2.81 0.00 0.00 57.97 60.86 3nix h PHE 351 Cb -0.10 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.15 3nix h PHE 351 CO -0.03 0.93 0.63 0.28 -1.61 0.00 0.00 178.31 178.51 3nix h VAL 352 N 0.83 1.21 -0.23 -0.55 2.07 -0.27 0.14 116.25 119.45 3nix h VAL 352 Ca 0.14 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 3nix h VAL 352 Cb 0.58 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3nix h VAL 352 CO 0.04 0.23 -0.43 0.74 0.02 0.00 0.00 177.57 178.17 3nix h THR 353 N 1.25 1.30 -0.32 2.57 2.02 -0.84 -2.23 112.91 116.66 3nix h THR 353 Ca 0.36 -1.61 -0.04 0.00 0.77 0.00 0.00 66.41 65.90 3nix h THR 353 Cb -0.08 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3nix h THR 353 CO -0.10 0.50 0.04 1.23 0.37 0.00 0.00 175.52 177.57 3nix h GLY 354 N 1.07 0.52 0.90 2.16 0.00 -0.35 -2.52 103.07 104.84 3nix h GLY 354 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3nix h GLY 354 CO 0.08 0.26 -0.30 -0.25 0.00 0.00 0.00 176.54 176.34 3nix h TRP 355 N 0.47 -0.77 0.00 5.60 2.91 -0.14 -2.22 115.95 121.80 3nix h TRP 355 Ca 0.11 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.11 3nix h TRP 355 Cb 0.24 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3nix h TRP 355 CO 0.01 -0.44 0.00 0.66 -1.03 0.00 0.00 178.44 177.64 3nix n TYR 356 N -5.40 0.00 -0.60 2.65 4.01 -1.08 -3.60 117.16 113.13 3nix n TYR 356 Ca -0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.68 3nix n TYR 356 Cb 0.35 -0.30 0.20 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.30 3.33 0.00 7.72 5.68 -0.95 -4.85 116.55 126.18 3nix n ASP 357 Ca 0.13 -2.54 0.00 0.00 -0.50 0.00 0.00 54.79 51.88 3nix n ASP 357 Cb 0.23 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 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 -0.11 2.28 0.47 6.12 0.00 -1.21 -4.84 105.19 107.90 3nix n GLY 358 Ca 0.16 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 0.08 -0.68 2.61 1.35 -1.86 -2.53 112.91 111.88 3nix h THR 359 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 3nix h THR 359 Cb 0.00 0.08 -0.03 0.00 -1.73 0.00 0.00 68.15 66.46 3nix h THR 359 CO 0.00 0.00 0.32 0.25 -0.25 0.00 0.00 175.52 175.84 3nix h LEU 360 N -0.87 0.87 -1.65 3.87 5.85 -1.70 -0.44 115.31 121.25 3nix h LEU 360 Ca -0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3nix h LEU 360 Cb 0.80 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3nix h LEU 360 CO -0.13 0.75 0.25 0.45 -0.34 0.00 0.00 178.44 179.42 3nix h HIS 361 N 0.96 0.45 -0.17 1.25 3.86 -1.72 -0.58 115.15 119.20 3nix h HIS 361 Ca 0.23 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.31 3nix h HIS 361 Cb 0.11 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3nix h HIS 361 CO 0.01 0.28 -0.50 0.00 0.86 0.00 0.00 177.93 178.57 3nix h ALA 362 N 1.77 0.82 -0.08 2.45 0.00 -0.64 -1.84 119.26 121.74 3nix h ALA 362 Ca 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3nix h ALA 362 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3nix h ALA 362 CO -0.03 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 180.14 3nix h VAL 363 N 0.36 1.32 -0.26 0.00 2.07 -1.04 -3.04 116.25 115.67 3nix h VAL 363 Ca 0.02 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3nix h VAL 363 Cb 1.01 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3nix h VAL 363 CO 0.09 0.28 0.17 -0.26 0.02 0.00 0.00 177.57 177.88 3nix h PHE 364 N -0.21 0.24 -0.03 1.57 -1.00 -1.04 -3.25 116.94 113.22 3nix h PHE 364 Ca 0.02 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3nix h PHE 364 Cb 0.47 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.95 3nix h PHE 364 CO 0.06 0.14 0.00 1.19 -1.61 0.00 0.00 178.31 178.10 3nix n PHE 365 N -4.50 0.06 -1.53 -0.55 3.72 -0.70 -4.45 117.46 109.52 3nix n PHE 365 Ca 0.02 -0.75 -0.34 0.00 -0.05 0.00 0.00 57.45 56.33 3nix n PHE 365 Cb 0.15 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 38.66 3nix n PHE 365 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nix s ALA 366 N -1.94 2.20 0.21 4.37 0.00 -1.15 -4.97 121.76 120.47 3nix s ALA 366 Ca 0.18 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 3nix s ALA 366 Cb 0.15 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3nix s ALA 366 CO 0.02 -1.75 1.27 0.21 0.00 0.00 0.00 175.76 175.52 3nix s LYS 367 N -3.84 4.42 -0.84 0.00 2.20 -1.26 -3.91 119.74 116.51 3nix s LYS 367 Ca 0.74 2.00 -0.03 0.00 -0.36 0.00 0.00 55.97 58.33 3nix s LYS 367 Cb -0.29 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3nix s LYS 367 CO 0.43 -0.18 0.69 0.09 -0.36 0.00 0.00 175.35 176.02 3nix n ASN 368 N 2.42 -6.41 -4.77 1.43 3.02 -1.26 -4.90 115.26 104.78 3nix n ASN 368 Ca 0.05 -0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 53.67 3nix n ASN 368 Cb 0.43 -3.80 -0.00 0.00 -0.61 0.00 0.00 39.78 35.80 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 -4.13 3.99 -0.03 3.52 0.04 -1.25 -4.88 135.00 132.26 3nix s PRO 369 Ca 0.08 2.21 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 3nix s PRO 369 Cb -0.03 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3nix s PRO 369 CO 0.82 -0.49 2.00 -3.47 0.04 0.00 0.00 177.00 175.89 3nix n ASP 370 N 0.19 3.88 0.02 6.66 -0.08 -1.26 -4.85 116.55 121.11 3nix n ASP 370 Ca 0.03 0.81 0.06 0.00 -1.51 0.00 0.00 54.79 54.18 3nix n ASP 370 Cb 0.43 -1.50 0.46 0.00 2.34 0.00 0.00 41.12 42.86 3nix n ASP 370 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3nix h PRO 371 N 10.97 0.45 -0.05 -0.67 0.13 -1.99 0.18 132.00 141.02 3nix h PRO 371 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3nix h PRO 371 Cb 1.25 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3nix h PRO 371 CO 0.95 0.30 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.52 3nix h ASP 372 N 0.46 0.13 -0.94 1.44 3.32 -2.00 -1.13 116.42 117.70 3nix h ASP 372 Ca 0.15 -0.49 0.21 0.00 0.02 0.00 0.00 57.03 56.92 3nix h ASP 372 Cb 0.03 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.42 3nix h ASP 372 CO -0.03 0.59 0.51 0.45 -1.72 0.00 0.00 179.24 179.03 3nix h HIS 373 N -0.33 0.86 -0.22 4.55 3.86 -1.74 -2.30 115.15 119.83 3nix h HIS 373 Ca 0.01 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3nix h HIS 373 Cb 0.56 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3nix h HIS 373 CO 0.09 0.07 0.04 -0.22 0.86 0.00 0.00 177.93 178.78 3nix h LYS 374 N 0.55 0.13 -1.17 2.45 1.63 -0.10 0.10 116.57 120.17 3nix h LYS 374 Ca 0.58 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 3nix h LYS 374 Cb 1.03 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 3nix h LYS 374 CO -0.46 0.08 0.00 0.54 -3.45 0.00 0.00 179.45 176.16 3nix n ARG 375 N -5.08 0.21 0.00 1.90 1.74 -0.48 -0.15 116.66 114.79 3nix n ARG 375 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3nix n ARG 375 Cb 0.10 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.70 0.00 0.10 0.55 5.41 0.02 -0.37 119.36 125.77 3nix n ILE 377 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 3nix n ILE 377 Cb 0.08 0.00 0.52 0.00 -0.71 0.00 0.00 39.64 39.53 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 0.31 0.16 0.28 0.00 0.02 -1.64 -1.88 113.55 110.81 3nix h SER 379 Ca 0.10 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3nix h SER 379 Cb 0.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3nix h SER 379 CO -0.02 0.83 -0.14 0.58 -1.14 0.00 0.00 176.83 176.95 3nix h VAL 380 N 0.09 0.75 -0.28 2.27 2.07 -1.50 -2.82 116.25 116.83 3nix h VAL 380 Ca -0.02 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.13 3nix h VAL 380 Cb 1.29 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3nix h VAL 380 CO 0.11 0.09 0.37 -0.07 0.02 0.00 0.00 177.57 178.09 3nix h LEU 381 N -0.63 0.00 -0.83 2.57 3.38 -0.94 0.30 115.31 119.16 3nix h LEU 381 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3nix h LEU 381 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3nix h LEU 381 CO 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.50 3nix n ALA 382 N -2.24 2.76 -0.00 1.53 0.00 -0.72 -4.89 120.51 116.95 3nix n ALA 382 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3nix n ALA 382 Cb 0.51 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.24 0.24 3.34 0.00 0.00 0.11 -1.60 105.19 108.52 3nix n GLY 383 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 4.36 -0.66 1.61 4.01 -1.07 -4.64 117.16 118.78 3nix n TYR 384 Ca 0.00 -2.91 0.08 0.00 -0.16 0.00 0.00 57.90 54.92 3nix n TYR 384 Cb 0.00 -2.57 0.29 0.00 -0.31 0.00 0.00 39.34 36.75 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 5.88 1.86 0.53 -0.72 0.24 -1.26 -4.07 118.33 120.80 3nix n VAL 385 Ca 0.49 -1.36 0.06 0.00 -2.04 0.00 0.00 64.34 61.49 3nix n VAL 385 Cb 0.44 0.07 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.52 0.00 -2.45 6.34 8.01 -1.26 -4.31 117.44 124.29 3nix n TRP 386 Ca 0.22 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 56.01 3nix n TRP 386 Cb 0.82 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.09 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 -1.21 6.03 0.00 -0.99 -1.08 -1.26 -4.86 116.67 113.31 3nix s ASP 387 Ca 0.13 -0.52 0.14 0.00 -0.52 0.00 0.00 52.55 51.78 3nix s ASP 387 Cb 0.10 -2.56 0.63 0.00 -1.46 0.00 0.00 42.92 39.64 3nix s ASP 387 CO 0.20 -1.91 1.42 0.29 0.52 0.00 0.00 175.17 175.69 3nix n LYS 388 N 9.24 0.08 0.07 4.34 4.76 -1.26 -1.67 118.16 133.71 3nix n LYS 388 Ca 0.13 0.22 0.13 0.00 -2.87 0.00 0.00 58.31 55.92 3nix n LYS 388 Cb 0.50 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.49 3nix n LYS 388 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3nix n ASN 389 N -1.42 0.67 -4.59 4.39 3.02 -1.26 -4.41 115.26 111.66 3nix n ASN 389 Ca 0.05 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.46 3nix n ASN 389 Cb 0.14 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3nix n ASN 389 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3nix s ASN 390 N -4.15 6.60 0.34 6.41 3.84 -0.67 -4.91 114.94 122.41 3nix s ASN 390 Ca 0.09 0.37 0.10 0.00 0.21 0.00 0.00 52.86 53.62 3nix s ASN 390 Cb 0.14 -2.52 0.85 0.00 -0.55 0.00 0.00 41.25 39.17 3nix s ASN 390 CO 0.66 -1.18 1.81 -0.65 -2.79 0.00 0.00 177.10 174.94 3nix h PRO 391 N 9.16 0.64 0.00 0.43 0.11 -1.87 0.56 132.00 141.03 3nix h PRO 391 Ca -0.23 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 3nix h PRO 391 Cb 1.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3nix h PRO 391 CO 1.09 0.42 -0.23 0.74 -0.21 0.00 0.00 178.00 179.82 3nix h PHE 392 N 0.66 0.00 0.07 0.65 0.04 -1.91 0.30 116.94 116.75 3nix h PHE 392 Ca 0.54 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.30 3nix h PHE 392 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 3nix h PHE 392 CO -0.00 0.23 -0.03 0.28 -0.60 0.00 0.00 178.31 178.18 3nix h VAL 393 N 0.00 0.78 -0.66 -0.55 2.07 -0.59 -2.79 116.25 114.51 3nix h VAL 393 Ca -0.00 -1.41 0.14 0.00 0.82 0.00 0.00 66.70 66.24 3nix h VAL 393 Cb 0.49 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 3nix h VAL 393 CO 0.03 0.24 0.10 0.50 0.02 0.00 0.00 177.57 178.47 3nix h LYS 394 N -0.97 0.21 -0.60 1.57 1.63 0.10 -2.48 116.57 116.02 3nix h LYS 394 Ca -0.01 -0.01 -0.40 0.00 -0.85 0.00 0.00 60.65 59.38 3nix h LYS 394 Cb 0.47 -0.05 -0.25 0.00 -0.60 0.00 0.00 32.23 31.80 3nix h LYS 394 CO 0.02 0.14 -0.17 1.63 -3.45 0.00 0.00 179.45 177.61 3nix n LYS 395 N -5.19 2.60 -0.15 1.90 5.02 0.10 -4.83 118.16 117.62 3nix n LYS 395 Ca 0.11 -3.56 -0.05 0.00 -2.02 0.00 0.00 58.31 52.80 3nix n LYS 395 Cb 0.38 -2.06 0.04 0.00 -0.02 0.00 0.00 35.03 33.38 3nix n LYS 395 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3nix h HIS 396 N 1.59 0.37 0.00 2.13 2.07 -1.15 0.37 115.15 120.53 3nix h HIS 396 Ca 0.34 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.88 3nix h HIS 396 Cb 1.46 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.34 3nix h HIS 396 CO 1.05 0.16 0.00 0.27 -3.07 0.00 0.00 177.93 176.34 3nix n ASN 397 N -4.95 0.00 0.00 3.10 0.23 -1.26 -3.45 115.26 108.93 3nix n ASN 397 Ca 0.04 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 3nix n ASN 397 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3nix n ASN 397 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3nix n THR 398 N -0.68 0.00 0.24 5.53 -1.04 -0.48 -4.93 114.28 112.92 3nix n THR 398 Ca 0.06 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.20 3nix n THR 398 Cb 0.03 -0.37 0.41 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.16 -0.09 12.58 2.10 -0.35 -2.55 117.51 129.35 3nix h ILE 399 Ca 0.00 -0.93 -0.24 0.00 1.08 0.00 0.00 64.86 64.78 3nix h ILE 399 Cb 0.44 1.81 0.01 0.00 -1.09 0.00 0.00 36.82 37.99 3nix h ILE 399 CO 0.00 0.07 -0.87 -0.07 -1.08 0.00 0.00 178.15 176.21 3nix h LEU 400 N 0.00 0.89 -0.24 2.19 3.38 -1.82 -0.88 115.31 118.83 3nix h LEU 400 Ca -0.00 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.28 3nix h LEU 400 Cb 0.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3nix h LEU 400 CO 0.01 1.43 -0.09 0.11 0.09 0.00 0.00 178.44 179.99 3nix h LYS 401 N 0.47 0.49 -0.36 1.13 1.57 -1.88 -1.39 116.57 116.61 3nix h LYS 401 Ca -0.08 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 3nix h LYS 401 Cb 1.50 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 3nix h LYS 401 CO 0.17 0.74 0.07 1.15 -0.57 0.00 0.00 179.45 181.01 3nix h THR 402 N 0.22 1.23 -0.28 -0.16 2.02 -1.49 -1.78 112.91 112.68 3nix h THR 402 Ca 0.06 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3nix h THR 402 Cb 0.57 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3nix h THR 402 CO 0.03 0.27 0.14 0.25 0.37 0.00 0.00 175.52 176.59 3nix h LEU 403 N 0.43 0.35 -1.62 2.58 7.12 -1.18 -0.88 115.31 122.11 3nix h LEU 403 Ca 0.11 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3nix h LEU 403 Cb 0.34 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.38 3nix h LEU 403 CO 0.00 0.36 -0.06 0.00 -0.13 0.00 0.00 178.44 178.62 3nix h ALA 404 N 1.01 1.04 0.05 1.25 0.00 -1.00 0.10 119.26 121.72 3nix h ALA 404 Ca 0.10 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3nix h ALA 404 Cb 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3nix h ALA 404 CO -0.01 0.07 -0.85 -0.22 0.00 0.00 0.00 179.25 178.23 3nix h LYS 405 N 0.00 0.48 -0.82 0.00 1.63 -1.06 -3.06 116.57 113.75 3nix h LYS 405 Ca -0.00 -0.59 0.05 0.00 -0.85 0.00 0.00 60.65 59.25 3nix h LYS 405 Cb 0.48 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 3nix h LYS 405 CO 0.01 1.23 0.51 0.28 -3.45 0.00 0.00 179.45 178.03 3nix h VAL 406 N 0.01 1.08 -0.78 2.00 2.07 0.41 -2.90 116.25 118.15 3nix h VAL 406 Ca -0.12 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3nix h VAL 406 Cb 1.57 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3nix h VAL 406 CO 0.17 0.18 0.31 0.40 0.02 0.00 0.00 177.57 178.64 3nix h ILE 407 N 0.97 1.26 0.00 4.57 2.04 -1.25 -2.49 117.51 122.62 3nix h ILE 407 Ca 0.34 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3nix h ILE 407 Cb 0.08 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3nix h ILE 407 CO -0.14 0.34 0.00 1.67 0.00 0.00 0.00 178.15 180.02 3nix n GLN 408 N -4.29 0.13 0.00 2.37 7.27 -1.10 -2.11 117.38 119.65 3nix n GLN 408 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3nix n GLN 408 Cb 0.19 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.54 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 0.76 0.00 0.09 1.69 0.00 -0.94 -1.47 105.19 105.32 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 0.00 0.00 1.61 5.08 -1.73 -3.55 114.58 115.99 3nix h GLU 411 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3nix h GLU 411 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3nix h GLU 411 CO 0.00 0.83 0.00 0.39 -1.00 0.00 0.00 179.01 179.23