#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nux s GLU 2 N 0.00 1.75 -0.40 0.03 2.02 -0.29 -4.92 118.70 116.89 2nux s GLU 2 Ca 0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 53.81 2nux s GLU 2 Cb 0.00 -2.05 0.11 0.00 0.10 0.00 0.00 34.13 32.29 2nux s GLU 2 CO 0.00 0.49 0.18 0.42 0.02 0.00 0.00 175.26 176.37 2nux s ILE 3 N -1.01 3.10 -0.07 -1.63 1.01 -1.26 -1.02 121.20 120.31 2nux s ILE 3 Ca 0.15 -2.14 -0.11 0.00 0.00 0.00 0.00 60.65 58.56 2nux s ILE 3 Cb -0.10 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2nux s ILE 3 CO 0.06 -0.68 0.27 -0.63 0.00 0.00 0.00 174.94 173.96 2nux s ILE 4 N 1.07 5.28 -0.22 2.92 1.01 -0.30 -0.55 121.20 130.41 2nux s ILE 4 Ca 0.09 0.51 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 2nux s ILE 4 Cb -0.22 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2nux s ILE 4 CO -0.05 0.58 0.01 -0.55 0.00 0.00 0.00 174.94 174.94 2nux s SER 5 N -0.92 4.77 -1.09 3.58 0.15 -0.01 -3.19 113.70 116.99 2nux s SER 5 Ca 0.19 -0.26 -0.22 0.00 0.70 0.00 0.00 55.95 56.36 2nux s SER 5 Cb -0.14 -1.83 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 2nux s SER 5 CO 0.08 0.00 1.53 -2.16 1.20 0.00 0.00 173.24 173.89 2nux s PRO 6 N 1.38 3.70 0.32 5.44 0.04 -1.26 -0.62 135.00 143.99 2nux s PRO 6 Ca 0.05 -1.35 -0.29 0.00 0.04 0.00 0.00 61.00 59.44 2nux s PRO 6 Cb -0.15 -5.41 -0.11 0.00 0.04 0.00 0.00 34.50 28.88 2nux s PRO 6 CO 0.01 -2.23 1.47 -1.50 0.04 0.00 0.00 177.00 174.80 2nux s ILE 7 N 4.79 2.32 0.77 0.56 2.07 -1.13 -4.45 121.20 126.12 2nux s ILE 7 Ca 0.48 0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 59.90 2nux s ILE 7 Cb 0.01 -3.18 0.05 0.00 0.13 0.00 0.00 42.46 39.47 2nux s ILE 7 CO -0.05 0.06 1.09 0.27 -1.91 0.00 0.00 174.94 174.39 2nux s ILE 8 N -0.55 3.39 -0.39 2.00 -4.36 -1.26 -3.43 121.20 116.60 2nux s ILE 8 Ca 0.56 0.45 -0.09 0.00 -0.26 0.00 0.00 60.65 61.32 2nux s ILE 8 Cb -0.45 -2.99 0.06 0.00 1.25 0.00 0.00 42.46 40.33 2nux s ILE 8 CO 0.52 -0.59 0.21 -0.89 0.24 0.00 0.00 174.94 174.43 2nux s THR 9 N -2.94 4.14 0.14 8.37 2.01 -1.26 -4.88 115.64 121.22 2nux s THR 9 Ca 0.61 -1.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 2nux s THR 9 Cb -0.17 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 2nux s THR 9 CO 0.56 -0.37 1.44 -2.84 -0.69 0.00 0.00 174.62 172.72 2nux s PRO 10 N 1.43 4.29 0.17 4.92 0.02 -1.26 -4.80 135.00 139.78 2nux s PRO 10 Ca 0.02 2.17 0.10 0.00 0.02 0.00 0.00 61.00 63.31 2nux s PRO 10 Cb -0.21 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 2nux s PRO 10 CO 0.03 -0.48 -0.18 -0.06 -0.33 0.00 0.00 177.00 175.97 2nux s PHE 11 N 1.04 2.45 0.45 6.54 0.08 -0.67 0.08 117.98 127.96 2nux s PHE 11 Ca 0.66 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 2nux s PHE 11 Cb -0.39 -1.23 0.09 0.00 -0.57 0.00 0.00 43.02 40.93 2nux s PHE 11 CO 0.31 0.48 0.62 -0.40 -0.10 0.00 0.00 175.22 176.13 2nux n ASP 12 N 0.30 0.64 0.19 1.36 5.68 0.35 -1.00 116.55 124.07 2nux n ASP 12 Ca -0.13 -1.58 0.14 0.00 -0.50 0.00 0.00 54.79 52.72 2nux n ASP 12 Cb 0.55 -0.42 0.62 0.00 -1.14 0.00 0.00 41.12 40.73 2nux n ASP 12 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2nux h LYS 13 N 0.00 0.00 -0.49 0.11 1.63 -1.94 -2.59 116.57 113.28 2nux h LYS 13 Ca -0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 2nux h LYS 13 Cb 0.71 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2nux h LYS 13 CO 0.20 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.24 2nux n GLN 14 N -2.53 2.23 -1.47 1.90 3.00 -1.26 -4.92 117.38 114.32 2nux n GLN 14 Ca 0.01 -1.90 -0.05 0.00 -0.01 0.00 0.00 57.00 55.05 2nux n GLN 14 Cb 0.21 -1.43 -0.01 0.00 0.00 0.00 0.00 30.24 29.01 2nux n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nux n GLY 15 N 1.35 0.56 3.75 1.08 0.00 -0.98 -5.03 105.19 105.92 2nux n GLY 15 Ca 0.18 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2nux n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nux s LYS 16 N -3.06 3.57 0.25 1.61 2.20 -1.26 -4.87 119.74 118.17 2nux s LYS 16 Ca 0.00 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2nux s LYS 16 Cb 0.00 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 33.09 2nux s LYS 16 CO 0.00 0.57 1.40 0.08 -0.36 0.00 0.00 175.35 177.04 2nux s VAL 17 N -0.46 2.78 -0.69 4.02 1.01 -1.26 -0.49 120.40 125.29 2nux s VAL 17 Ca 0.11 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 2nux s VAL 17 Cb -0.12 -3.42 0.17 0.00 0.00 0.00 0.00 36.38 33.01 2nux s VAL 17 CO 0.02 0.11 0.68 0.21 0.00 0.00 0.00 175.10 176.11 2nux s ASN 18 N 0.28 6.47 0.21 3.32 3.84 0.11 -4.84 114.94 124.33 2nux s ASN 18 Ca 0.58 -2.16 -0.10 0.00 0.21 0.00 0.00 52.86 51.39 2nux s ASN 18 Cb -0.41 -2.23 0.16 0.00 -0.55 0.00 0.00 41.25 38.23 2nux s ASN 18 CO 0.43 -0.77 1.87 0.58 -2.79 0.00 0.00 177.10 176.41 2nux h VAL 19 N 5.40 1.21 -0.54 -5.21 2.07 -1.93 -1.97 116.25 115.28 2nux h VAL 19 Ca -0.09 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2nux h VAL 19 Cb 1.07 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2nux h VAL 19 CO 0.92 0.21 0.33 0.44 0.02 0.00 0.00 177.57 179.50 2nux h ASP 20 N 1.06 0.55 -0.56 0.57 3.32 -1.98 -1.18 116.42 118.20 2nux h ASP 20 Ca 0.28 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 2nux h ASP 20 Cb -0.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2nux h ASP 20 CO -0.06 0.39 0.01 0.00 -1.72 0.00 0.00 179.24 177.86 2nux h ALA 21 N 1.23 0.75 -0.76 3.45 0.00 -1.84 -1.96 119.26 120.14 2nux h ALA 21 Ca 0.21 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2nux h ALA 21 Cb 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2nux h ALA 21 CO -0.09 0.57 0.45 1.25 0.00 0.00 0.00 179.25 181.43 2nux h LEU 22 N 0.87 0.68 -0.27 0.00 5.85 -0.86 -1.17 115.31 120.41 2nux h LEU 22 Ca 0.16 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2nux h LEU 22 Cb 0.52 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2nux h LEU 22 CO 0.03 0.44 -0.31 0.11 -0.34 0.00 0.00 178.44 178.36 2nux h LYS 23 N 0.82 0.69 -0.94 1.25 1.57 -1.05 -2.06 116.57 116.85 2nux h LYS 23 Ca 0.34 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2nux h LYS 23 Cb 0.18 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2nux h LYS 23 CO -0.18 1.00 0.59 1.15 -0.57 0.00 0.00 179.45 181.44 2nux h THR 24 N 0.43 1.25 -0.09 -0.16 2.02 -1.07 -1.27 112.91 114.02 2nux h THR 24 Ca 0.04 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 2nux h THR 24 Cb 0.89 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2nux h THR 24 CO 0.08 0.25 -0.04 -0.74 0.37 0.00 0.00 175.52 175.44 2nux h HIS 25 N 1.28 0.22 -0.79 3.16 -0.00 -1.20 -2.48 115.15 115.35 2nux h HIS 25 Ca 0.34 -0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.66 2nux h HIS 25 Cb -0.09 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 2nux h HIS 25 CO 0.00 0.55 0.52 0.00 -0.00 0.00 0.00 177.93 179.00 2nux h ALA 26 N 0.64 1.00 -0.06 5.26 0.00 -1.28 -1.32 119.26 123.49 2nux h ALA 26 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2nux h ALA 26 Cb 0.49 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2nux h ALA 26 CO 0.01 0.41 -0.16 -0.22 0.00 0.00 0.00 179.25 179.30 2nux h LYS 27 N 1.07 -0.23 -0.32 0.00 1.63 -1.18 -0.65 116.57 116.90 2nux h LYS 27 Ca 0.29 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.13 2nux h LYS 27 Cb -0.12 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 2nux h LYS 27 CO -0.06 -0.15 0.14 -0.97 -3.45 0.00 0.00 179.45 174.96 2nux h ASN 28 N -0.23 0.19 -0.08 4.20 -1.24 -1.09 -1.76 115.58 115.57 2nux h ASN 28 Ca 0.07 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.14 2nux h ASN 28 Cb 0.33 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.33 2nux h ASN 28 CO -0.19 0.15 -0.19 -0.07 -1.29 0.00 0.00 177.43 175.83 2nux h LEU 29 N 0.29 -0.59 -0.56 0.34 4.07 -0.79 -0.50 115.31 117.57 2nux h LEU 29 Ca 0.14 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.21 2nux h LEU 29 Cb 0.07 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2nux h LEU 29 CO -0.11 -0.25 0.36 -0.07 -1.08 0.00 0.00 178.44 177.29 2nux h LEU 30 N -0.27 0.60 -1.26 1.67 -0.00 -1.01 -2.20 115.31 112.85 2nux h LEU 30 Ca 0.08 -0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.03 2nux h LEU 30 Cb 0.39 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 40.85 2nux h LEU 30 CO -0.24 0.43 0.54 -0.33 -0.00 0.00 0.00 178.44 178.84 2nux h GLU 31 N 0.72 0.84 -0.10 1.13 5.08 -0.92 -2.14 114.58 119.19 2nux h GLU 31 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2nux h GLU 31 Cb -0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2nux h GLU 31 CO -0.07 0.55 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 2nux n LYS 32 N -4.50 1.23 0.00 2.33 5.02 -0.23 -4.87 118.16 117.14 2nux n LYS 32 Ca 0.13 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2nux n LYS 32 Cb 0.26 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 2nux n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nux n GLY 33 N 0.69 0.74 3.70 0.72 0.00 -0.80 -4.48 105.19 105.76 2nux n GLY 33 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2nux n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nux s ILE 34 N -2.00 3.14 0.20 -0.61 -1.09 -0.90 -4.84 121.20 115.10 2nux s ILE 34 Ca 0.00 0.70 0.07 0.00 -2.23 0.00 0.00 60.65 59.18 2nux s ILE 34 Cb 0.00 -3.45 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 2nux s ILE 34 CO 0.00 0.02 1.45 0.44 -1.23 0.00 0.00 174.94 175.62 2nux h ASP 35 N 7.59 0.09 -4.79 3.58 3.32 -1.17 -3.41 116.42 121.62 2nux h ASP 35 Ca -0.42 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 56.61 2nux h ASP 35 Cb 1.20 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 2nux h ASP 35 CO 0.91 0.85 0.37 0.00 -1.72 0.00 0.00 179.24 179.64 2nux s ALA 36 N -3.26 -1.73 -0.13 3.45 0.00 -1.22 -4.92 121.76 113.95 2nux s ALA 36 Ca -0.01 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2nux s ALA 36 Cb 0.11 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2nux s ALA 36 CO 0.80 -0.71 -0.16 0.42 0.00 0.00 0.00 175.76 176.11 2nux s ILE 37 N -3.30 2.72 -0.37 0.00 1.01 -0.08 -0.83 121.20 120.35 2nux s ILE 37 Ca 0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 2nux s ILE 37 Cb -0.01 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2nux s ILE 37 CO -0.10 0.53 0.36 0.12 0.00 0.00 0.00 174.94 175.85 2nux s PHE 38 N 0.48 3.20 -0.08 3.97 5.36 0.21 -0.97 117.98 130.15 2nux s PHE 38 Ca -0.11 -0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 55.50 2nux s PHE 38 Cb -0.16 -2.70 -0.05 0.00 -0.34 0.00 0.00 43.02 39.77 2nux s PHE 38 CO 0.05 -0.52 0.37 0.08 -1.46 0.00 0.00 175.22 173.74 2nux s VAL 39 N 1.97 5.18 -1.06 3.12 1.01 0.16 -2.81 120.40 127.97 2nux s VAL 39 Ca 0.10 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2nux s VAL 39 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2nux s VAL 39 CO 0.12 0.46 0.23 0.59 0.00 0.00 0.00 175.10 176.50 2nux n ASN 40 N 2.81 -4.34 -2.63 3.32 3.02 -1.26 -1.69 115.26 114.49 2nux n ASN 40 Ca -0.12 -0.11 -0.09 0.00 -0.03 0.00 0.00 54.58 54.23 2nux n ASN 40 Cb 0.52 -3.34 0.06 0.00 -0.61 0.00 0.00 39.78 36.41 2nux n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nux n GLY 41 N -1.15 -1.04 0.17 7.41 0.00 -1.26 -3.83 105.19 105.49 2nux n GLY 41 Ca -0.11 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 2nux n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nux h THR 42 N -1.16 0.80 -0.03 2.61 2.02 -1.95 -0.07 112.91 115.13 2nux h THR 42 Ca -0.13 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2nux h THR 42 Cb 0.38 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2nux h THR 42 CO 0.10 0.04 0.02 0.74 0.37 0.00 0.00 175.52 176.79 2nux h THR 43 N 0.22 0.96 -0.28 3.16 2.02 -1.89 0.13 112.91 117.23 2nux h THR 43 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 2nux h THR 43 Cb 0.23 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2nux h THR 43 CO -0.25 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.25 2nux n GLY 44 N -1.54 1.50 3.34 2.16 0.00 -0.43 -4.33 105.19 105.90 2nux n GLY 44 Ca -0.02 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 2nux n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nux n LEU 45 N 0.34 -2.38 -0.14 0.99 4.77 0.44 -4.29 117.00 116.72 2nux n LEU 45 Ca 0.11 -0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 2nux n LEU 45 Cb 0.51 -2.65 -0.03 0.00 -2.33 0.00 0.00 43.42 38.92 2nux n LEU 45 CO 0.11 0.29 0.37 0.61 -1.33 0.00 0.00 177.39 177.45 2nux n GLY 46 N -1.50 -2.17 0.07 -0.72 0.00 -0.17 -0.34 105.19 100.37 2nux n GLY 46 Ca -0.04 0.64 0.09 0.00 0.00 0.00 0.00 46.02 46.71 2nux n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nux n PRO 47 N -3.70 0.10 0.01 1.61 -0.05 -1.26 -1.83 135.00 129.87 2nux n PRO 47 Ca 0.01 0.38 0.12 0.00 -0.05 0.00 0.00 63.50 63.96 2nux n PRO 47 Cb 0.08 -1.71 0.30 0.00 -0.05 0.00 0.00 33.50 32.13 2nux n PRO 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2nux n ALA 48 N -1.65 3.29 -2.49 0.55 0.00 0.54 -4.88 120.51 115.87 2nux n ALA 48 Ca 0.02 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 2nux n ALA 48 Cb 0.18 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2nux n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nux s LEU 49 N -3.12 4.43 0.90 0.00 1.43 -0.76 -5.08 118.68 116.48 2nux s LEU 49 Ca 0.11 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 2nux s LEU 49 Cb 0.17 -2.78 0.13 0.00 0.03 0.00 0.00 46.19 43.75 2nux s LEU 49 CO 0.67 0.18 1.09 -0.94 0.23 0.00 0.00 176.35 177.59 2nux s SER 50 N -0.48 3.43 0.19 2.29 1.04 -1.26 -4.75 113.70 114.16 2nux s SER 50 Ca 0.27 1.42 -0.18 0.00 0.48 0.00 0.00 55.95 57.95 2nux s SER 50 Cb -0.17 -2.10 0.15 0.00 0.10 0.00 0.00 66.02 63.99 2nux s SER 50 CO 0.15 -2.66 1.62 0.50 0.98 0.00 0.00 173.24 173.83 2nux h LYS 51 N -1.56 -0.10 -0.16 4.02 3.64 -1.97 -0.67 116.57 119.77 2nux h LYS 51 Ca -0.50 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 2nux h LYS 51 Cb 1.29 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2nux h LYS 51 CO 0.55 -0.07 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.99 2nux h ASP 52 N -0.10 0.27 -0.07 4.20 3.32 -1.99 -1.33 116.42 120.72 2nux h ASP 52 Ca 0.24 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 2nux h ASP 52 Cb 0.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2nux h ASP 52 CO -0.59 0.52 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.63 2nux h GLU 53 N 0.25 0.64 -0.16 3.56 5.08 -1.54 0.16 114.58 122.58 2nux h GLU 53 Ca 0.04 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2nux h GLU 53 Cb 0.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2nux h GLU 53 CO 0.04 0.98 0.07 0.87 -1.00 0.00 0.00 179.01 179.97 2nux h LYS 54 N 0.50 0.23 -0.52 2.33 1.57 -0.86 -1.38 116.57 118.45 2nux h LYS 54 Ca 0.02 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2nux h LYS 54 Cb 1.03 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2nux h LYS 54 CO 0.10 0.30 0.31 -0.09 -0.57 0.00 0.00 179.45 179.50 2nux h ARG 55 N 0.11 0.60 0.00 3.15 2.43 -1.11 -2.58 114.38 116.99 2nux h ARG 55 Ca 0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2nux h ARG 55 Cb 0.15 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2nux h ARG 55 CO -0.01 0.40 -0.09 1.96 -1.51 0.00 0.00 179.97 180.72 2nux h GLN 56 N 0.62 0.00 -0.22 0.20 1.08 -0.78 -1.46 115.11 114.55 2nux h GLN 56 Ca 0.21 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.26 2nux h GLN 56 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2nux h GLN 56 CO -0.09 0.09 -0.45 -0.91 -0.95 0.00 0.00 178.83 176.52 2nux h ASN 57 N 0.00 0.76 -0.47 1.46 2.35 -0.90 -1.38 115.58 117.41 2nux h ASN 57 Ca -0.00 -0.55 -0.06 0.00 -0.55 0.00 0.00 56.30 55.14 2nux h ASN 57 Cb 0.61 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2nux h ASN 57 CO 0.01 1.17 0.06 0.25 -1.65 0.00 0.00 177.43 177.27 2nux h LEU 58 N 0.39 0.76 -0.46 1.61 5.85 -1.06 -1.53 115.31 120.86 2nux h LEU 58 Ca 0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2nux h LEU 58 Cb 1.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2nux h LEU 58 CO 0.10 0.84 0.26 0.78 -0.34 0.00 0.00 178.44 180.08 2nux h ASN 59 N 0.65 0.57 -0.16 1.25 2.35 -1.29 0.12 115.58 119.07 2nux h ASN 59 Ca 0.14 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2nux h ASN 59 Cb 0.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2nux h ASN 59 CO 0.01 0.48 0.10 0.00 -1.65 0.00 0.00 177.43 176.38 2nux h ALA 60 N 1.11 0.20 0.00 -0.83 0.00 -1.12 -2.87 119.26 115.74 2nux h ALA 60 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2nux h ALA 60 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2nux h ALA 60 CO -0.03 -0.31 -0.41 -0.07 0.00 0.00 0.00 179.25 178.43 2nux h LEU 61 N 0.21 0.00 -1.82 0.00 3.38 -1.09 -2.85 115.31 113.13 2nux h LEU 61 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2nux h LEU 61 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2nux h LEU 61 CO -0.01 0.41 0.00 0.22 0.09 0.00 0.00 178.44 179.14 2nux h TYR 62 N 0.00 0.00 -0.00 1.13 3.20 -0.53 0.54 116.97 121.32 2nux h TYR 62 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2nux h TYR 62 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2nux h TYR 62 CO 0.00 0.00 -0.03 -0.25 -1.64 0.00 0.00 178.16 176.24 2nux n ASP 63 N -2.98 0.08 -0.05 -2.11 8.00 -1.07 -4.10 116.55 114.32 2nux n ASP 63 Ca -0.00 -0.11 -0.07 0.00 0.71 0.00 0.00 54.79 55.32 2nux n ASP 63 Cb 0.22 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 2nux n ASP 63 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2nux n VAL 64 N -1.28 0.56 -3.83 2.53 0.31 0.04 -5.10 118.33 111.56 2nux n VAL 64 Ca 0.13 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 2nux n VAL 64 Cb 0.26 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.24 2nux n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2nux s THR 65 N -2.19 0.03 -0.74 2.52 -1.32 -0.36 -5.03 115.64 108.54 2nux s THR 65 Ca -0.13 -1.00 0.16 0.00 -1.21 0.00 0.00 61.69 59.51 2nux s THR 65 Cb 0.04 -1.75 -0.17 0.00 -1.51 0.00 0.00 72.50 69.10 2nux s THR 65 CO 0.22 -0.12 0.67 0.00 -2.21 0.00 0.00 174.62 173.18 2nux n HIS 66 N -0.33 0.00 -1.94 9.09 1.44 -1.26 -4.19 115.22 118.02 2nux n HIS 66 Ca -0.08 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.21 2nux n HIS 66 Cb 0.62 -0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.73 2nux n HIS 66 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2nux n LYS 67 N -1.38 3.27 -5.08 -1.40 4.01 -1.26 -3.53 118.16 112.78 2nux n LYS 67 Ca 0.03 -2.96 -0.29 0.00 -0.51 0.00 0.00 58.31 54.58 2nux n LYS 67 Cb 0.25 -3.09 -0.16 0.00 -0.51 0.00 0.00 35.03 31.51 2nux n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2nux s LEU 68 N 1.00 2.00 -0.26 -0.35 1.43 -1.26 -0.90 118.68 120.35 2nux s LEU 68 Ca 0.46 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2nux s LEU 68 Cb 0.13 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2nux s LEU 68 CO -0.05 0.20 0.02 -0.63 0.23 0.00 0.00 176.35 176.12 2nux s ILE 69 N -0.07 3.65 -0.52 -0.59 1.01 -0.15 -1.39 121.20 123.15 2nux s ILE 69 Ca -0.04 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 2nux s ILE 69 Cb -0.13 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.63 2nux s ILE 69 CO 0.03 0.24 0.58 0.12 0.00 0.00 0.00 174.94 175.91 2nux s PHE 70 N 1.48 3.10 0.01 3.97 5.36 -0.03 -0.67 117.98 131.20 2nux s PHE 70 Ca 0.04 -0.78 -0.26 0.00 -0.96 0.00 0.00 56.93 54.97 2nux s PHE 70 Cb -0.16 -3.57 -0.05 0.00 -0.34 0.00 0.00 43.02 38.90 2nux s PHE 70 CO -0.00 -1.03 0.81 -1.14 -1.46 0.00 0.00 175.22 172.40 2nux s GLN 71 N 2.33 4.52 -0.07 10.12 -0.44 -0.68 -0.15 119.66 135.29 2nux s GLN 71 Ca 0.11 1.13 0.11 0.00 -2.50 0.00 0.00 55.36 54.21 2nux s GLN 71 Cb -0.22 -3.41 0.20 0.00 -1.64 0.00 0.00 33.01 27.95 2nux s GLN 71 CO 0.09 0.15 1.10 1.33 0.50 0.00 0.00 175.29 178.46 2nux n VAL 72 N 3.27 0.90 -2.11 1.34 0.24 -0.06 -4.71 118.33 117.20 2nux n VAL 72 Ca 0.00 -1.28 -0.41 0.00 -2.04 0.00 0.00 64.34 60.61 2nux n VAL 72 Cb 0.51 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.08 2nux n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2nux s GLY 73 N -2.03 2.60 0.28 7.63 0.00 -1.26 -4.50 107.32 110.04 2nux s GLY 73 Ca 0.20 1.24 -0.20 0.00 0.00 0.00 0.00 44.72 45.96 2nux s GLY 73 CO -0.02 2.08 0.70 -1.35 0.00 0.00 0.00 173.10 174.51 2nux s SER 74 N 0.04 -0.22 -0.21 1.64 1.04 -1.26 -4.71 113.70 110.02 2nux s SER 74 Ca 0.55 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 56.36 2nux s SER 74 Cb -0.39 0.72 0.50 0.00 0.10 0.00 0.00 66.02 66.95 2nux s SER 74 CO 0.45 -1.35 1.42 0.18 0.98 0.00 0.00 173.24 174.92 2nux n LEU 75 N -0.46 4.60 -3.60 2.42 4.77 -1.26 -4.61 117.00 118.87 2nux n LEU 75 Ca -0.04 -2.38 -0.28 0.00 -0.03 0.00 0.00 56.01 53.28 2nux n LEU 75 Cb 0.59 -0.66 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 2nux n LEU 75 CO 0.17 0.63 -0.33 0.21 -1.33 0.00 0.00 177.39 176.73 2nux s ASN 76 N -0.50 3.34 0.46 -1.43 2.47 -1.26 -5.03 114.94 112.98 2nux s ASN 76 Ca 0.36 -1.17 0.16 0.00 0.42 0.00 0.00 52.86 52.63 2nux s ASN 76 Cb 0.29 -0.44 1.11 0.00 -1.45 0.00 0.00 41.25 40.76 2nux s ASN 76 CO 0.09 -0.41 1.99 0.25 -3.72 0.00 0.00 177.10 175.31 2nux h LEU 77 N 8.34 0.28 -0.79 3.21 5.85 -2.00 0.06 115.31 130.26 2nux h LEU 77 Ca -0.18 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.67 2nux h LEU 77 Cb 1.05 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 2nux h LEU 77 CO 0.41 0.17 0.40 0.78 -0.34 0.00 0.00 178.44 179.85 2nux h ASN 78 N 0.31 0.51 0.04 1.25 -0.26 -1.97 0.13 115.58 115.58 2nux h ASN 78 Ca 0.25 0.07 -0.15 0.00 -0.56 0.00 0.00 56.30 55.92 2nux h ASN 78 Cb 0.59 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 2nux h ASN 78 CO -0.06 0.26 -0.50 0.44 -1.06 0.00 0.00 177.43 176.51 2nux h ASP 79 N 0.63 0.57 -0.57 5.81 3.32 -1.41 -1.83 116.42 122.94 2nux h ASP 79 Ca 0.40 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2nux h ASP 79 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2nux h ASP 79 CO -0.31 0.98 0.10 0.58 -1.72 0.00 0.00 179.24 178.87 2nux h VAL 80 N 0.41 1.25 -0.70 -1.35 2.07 -0.93 -2.16 116.25 114.85 2nux h VAL 80 Ca 0.02 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 2nux h VAL 80 Cb 1.03 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2nux h VAL 80 CO 0.09 0.35 0.14 0.24 0.02 0.00 0.00 177.57 178.41 2nux h MET 81 N 0.84 1.13 -0.26 1.57 2.86 -0.68 -0.66 114.93 119.74 2nux h MET 81 Ca 0.17 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2nux h MET 81 Cb 0.40 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2nux h MET 81 CO 0.01 1.02 0.15 1.49 1.06 0.00 0.00 176.91 180.63 2nux h GLU 82 N 1.06 0.35 -0.74 1.72 4.81 -1.21 -0.81 114.58 119.76 2nux h GLU 82 Ca 0.21 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2nux h GLU 82 Cb 0.41 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2nux h GLU 82 CO 0.01 0.30 0.34 -0.07 -0.73 0.00 0.00 179.01 178.85 2nux h LEU 83 N 0.31 0.98 -0.23 1.64 3.38 -1.13 -1.09 115.31 119.17 2nux h LEU 83 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2nux h LEU 83 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2nux h LEU 83 CO -0.02 0.84 0.11 0.58 0.09 0.00 0.00 178.44 180.05 2nux h VAL 84 N 1.06 1.14 -0.47 1.22 2.07 -0.79 -1.53 116.25 118.94 2nux h VAL 84 Ca 0.25 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2nux h VAL 84 Cb 0.14 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2nux h VAL 84 CO -0.03 0.13 0.18 0.11 0.02 0.00 0.00 177.57 177.98 2nux h LYS 85 N 0.24 0.68 -0.04 1.57 1.57 -0.88 -0.44 116.57 119.27 2nux h LYS 85 Ca 0.08 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2nux h LYS 85 Cb 0.11 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2nux h LYS 85 CO -0.01 0.57 0.02 0.35 -0.57 0.00 0.00 179.45 179.81 2nux h PHE 86 N 0.67 0.06 0.00 -1.35 3.57 -0.94 -2.96 116.94 116.00 2nux h PHE 86 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2nux h PHE 86 Cb 0.15 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2nux h PHE 86 CO 0.01 0.12 0.00 0.66 -2.23 0.00 0.00 178.31 176.87 2nux h SER 87 N -0.02 0.00 -0.06 0.41 4.64 -0.92 -3.05 113.55 114.54 2nux h SER 87 Ca 0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2nux h SER 87 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2nux h SER 87 CO -0.00 0.00 0.06 0.78 -0.87 0.00 0.00 176.83 176.79 2nux h ASN 88 N 0.00 0.00 -0.39 4.97 2.35 -0.90 -1.81 115.58 119.80 2nux h ASN 88 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nux h ASN 88 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2nux h ASN 88 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 2nux n GLU 89 N -4.14 2.62 -4.60 0.81 -0.58 -1.15 -4.91 120.64 108.69 2nux n GLU 89 Ca -0.01 -1.69 -0.23 0.00 -0.42 0.00 0.00 57.16 54.80 2nux n GLU 89 Cb 0.16 -1.63 -0.14 0.00 -0.57 0.00 0.00 31.44 29.25 2nux n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2nux s MET 90 N -1.71 1.24 -1.23 3.49 -1.94 -0.68 -5.07 119.30 113.40 2nux s MET 90 Ca 0.30 -0.78 -0.12 0.00 -1.71 0.00 0.00 55.69 53.39 2nux s MET 90 Cb 0.19 -1.28 0.18 0.00 2.01 0.00 0.00 34.83 35.94 2nux s MET 90 CO 0.15 0.33 1.59 -3.47 -0.01 0.00 0.00 175.02 173.61 2nux n ASP 91 N 2.12 5.23 -4.76 3.03 2.03 -1.26 -4.95 116.55 117.99 2nux n ASP 91 Ca -0.17 -3.05 -0.27 0.00 0.52 0.00 0.00 54.79 51.83 2nux n ASP 91 Cb 0.54 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.36 2nux n ASP 91 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2nux s ILE 92 N 0.85 1.93 0.16 5.18 -4.36 -1.26 -4.79 121.20 118.91 2nux s ILE 92 Ca 0.41 -1.75 -0.10 0.00 -0.26 0.00 0.00 60.65 58.95 2nux s ILE 92 Cb 0.02 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2nux s ILE 92 CO 0.00 0.00 1.54 -0.07 0.24 0.00 0.00 174.94 176.66 2nux h LEU 93 N 1.33 1.01 0.00 0.37 4.07 -1.27 -3.48 115.31 117.34 2nux h LEU 93 Ca -0.42 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.14 2nux h LEU 93 Cb 1.27 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.73 2nux h LEU 93 CO 0.70 1.19 0.00 0.61 -1.08 0.00 0.00 178.44 179.86 2nux n GLY 94 N -0.08 -0.95 3.31 0.83 0.00 -1.16 -4.33 105.19 102.82 2nux n GLY 94 Ca -0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2nux n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nux s VAL 95 N -2.00 1.95 0.11 1.61 0.11 -0.80 -0.85 120.40 120.52 2nux s VAL 95 Ca 0.00 -1.42 -0.02 0.00 -2.93 0.00 0.00 61.98 57.61 2nux s VAL 95 Cb 0.00 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2nux s VAL 95 CO 0.00 0.20 0.04 -0.55 -3.33 0.00 0.00 175.10 171.47 2nux s SER 96 N -1.47 0.34 -0.26 3.54 0.15 0.79 -0.78 113.70 116.01 2nux s SER 96 Ca 0.10 -1.12 -0.25 0.00 0.70 0.00 0.00 55.95 55.37 2nux s SER 96 Cb -0.10 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.57 2nux s SER 96 CO 0.03 -0.70 0.77 -0.55 1.20 0.00 0.00 173.24 173.99 2nux s SER 97 N -3.00 -0.69 0.79 5.45 0.15 -1.09 -0.88 113.70 114.42 2nux s SER 97 Ca 0.19 1.29 -0.09 0.00 0.70 0.00 0.00 55.95 58.03 2nux s SER 97 Cb 0.07 1.29 0.10 0.00 -1.71 0.00 0.00 66.02 65.78 2nux s SER 97 CO -0.02 -0.26 1.12 -1.38 1.20 0.00 0.00 173.24 173.90 2nux s HIS 98 N 0.22 2.46 0.76 3.44 -3.43 -1.25 -1.82 115.29 115.68 2nux s HIS 98 Ca -0.00 0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 54.53 2nux s HIS 98 Cb -0.05 -3.45 0.05 0.00 -1.43 0.00 0.00 32.58 27.70 2nux s HIS 98 CO 0.00 -1.81 1.11 -1.54 -2.00 0.00 0.00 174.74 170.51 2nux s SER 99 N -4.64 4.90 0.62 7.38 1.04 -1.25 -4.85 113.70 116.90 2nux s SER 99 Ca 0.64 1.12 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 2nux s SER 99 Cb -0.09 -1.84 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 2nux s SER 99 CO 0.47 -1.69 0.74 -2.65 0.98 0.00 0.00 173.24 171.10 2nux n PRO 100 N -3.23 0.62 -3.60 4.02 -0.02 -1.26 -4.96 135.00 126.58 2nux n PRO 100 Ca 0.07 0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.66 2nux n PRO 100 Cb 0.58 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 2nux n PRO 100 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2nux n TYR 101 N -1.91 -0.50 0.00 6.00 4.11 -1.26 -4.80 117.16 118.80 2nux n TYR 101 Ca 0.13 -1.98 0.00 0.00 -0.00 0.00 0.00 57.90 56.05 2nux n TYR 101 Cb 0.48 0.19 0.00 0.00 -0.00 0.00 0.00 39.34 40.01 2nux n TYR 101 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 2nux n TYR 102 N -0.47 0.00 -1.79 -3.48 4.19 -1.26 -4.87 117.16 109.48 2nux n TYR 102 Ca 0.05 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.83 2nux n TYR 102 Cb 0.43 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.23 2nux n TYR 102 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2nux s PHE 103 N 0.00 1.78 0.55 2.98 0.08 -1.26 -4.98 117.98 117.13 2nux s PHE 103 Ca 0.00 -0.11 -0.04 0.00 0.12 0.00 0.00 56.93 56.90 2nux s PHE 103 Cb 0.00 -4.12 0.01 0.00 -0.57 0.00 0.00 43.02 38.34 2nux s PHE 103 CO 0.00 -4.79 0.83 -1.25 -0.10 0.00 0.00 175.22 169.91 2nux s PRO 104 N 3.74 2.93 -2.05 0.24 0.04 -1.26 -4.41 135.00 134.22 2nux s PRO 104 Ca 0.81 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2nux s PRO 104 Cb -0.41 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2nux s PRO 104 CO 0.36 -0.58 0.00 0.54 0.04 0.00 0.00 177.00 177.36 2nux n ARG 105 N -2.43 -1.55 -2.39 4.56 1.74 -1.26 -4.97 116.66 110.37 2nux n ARG 105 Ca 0.04 1.15 -0.41 0.00 -0.77 0.00 0.00 57.85 57.86 2nux n ARG 105 Cb 0.58 -5.65 -0.03 0.00 -1.02 0.00 0.00 32.46 26.33 2nux n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nux s LEU 106 N -5.28 4.44 0.60 0.55 1.43 -1.26 -4.99 118.68 114.16 2nux s LEU 106 Ca 0.00 2.20 -0.19 0.00 -1.03 0.00 0.00 54.13 55.11 2nux s LEU 106 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2nux s LEU 106 CO 0.00 -0.38 1.26 -2.84 0.23 0.00 0.00 176.35 174.62 2nux s PRO 107 N -0.06 2.90 0.33 1.29 0.02 -1.26 -4.89 135.00 133.32 2nux s PRO 107 Ca 0.54 1.97 0.07 0.00 0.02 0.00 0.00 61.00 63.59 2nux s PRO 107 Cb -0.32 -1.97 0.75 0.00 0.02 0.00 0.00 34.50 32.97 2nux s PRO 107 CO 0.35 -1.30 1.86 1.49 -0.33 0.00 0.00 177.00 179.07 2nux h GLU 108 N 0.92 0.75 -0.50 5.54 4.81 -2.01 -1.37 114.58 122.72 2nux h GLU 108 Ca -0.51 -0.05 0.14 0.00 -0.13 0.00 0.00 59.36 58.82 2nux h GLU 108 Cb 1.31 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2nux h GLU 108 CO 0.55 0.50 0.36 1.57 -0.73 0.00 0.00 179.01 181.25 2nux h LYS 109 N 0.77 0.01 -0.72 1.92 2.10 -2.00 0.59 116.57 119.25 2nux h LYS 109 Ca 0.47 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.05 2nux h LYS 109 Cb 0.68 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.97 2nux h LYS 109 CO -0.23 0.00 0.18 0.74 -2.00 0.00 0.00 179.45 178.14 2nux h PHE 110 N 0.01 1.20 -0.62 0.07 -1.00 -1.60 -0.07 116.94 114.92 2nux h PHE 110 Ca 0.24 -0.14 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 2nux h PHE 110 Cb 0.94 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 2nux h PHE 110 CO -0.00 0.97 0.04 -0.07 -1.61 0.00 0.00 178.31 177.64 2nux h LEU 111 N 1.09 1.04 -0.17 1.54 4.07 -0.98 -1.27 115.31 120.62 2nux h LEU 111 Ca 0.23 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 2nux h LEU 111 Cb 0.37 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2nux h LEU 111 CO 0.00 1.06 -0.02 0.00 -1.08 0.00 0.00 178.44 178.41 2nux h ALA 112 N 1.04 0.24 -0.67 1.53 0.00 -1.05 -2.85 119.26 117.50 2nux h ALA 112 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2nux h ALA 112 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2nux h ALA 112 CO 0.02 -0.03 0.26 0.87 0.00 0.00 0.00 179.25 180.38 2nux h LYS 113 N 0.05 0.98 -0.06 0.00 1.57 -0.93 0.72 116.57 118.90 2nux h LYS 113 Ca 0.05 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2nux h LYS 113 Cb 0.42 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2nux h LYS 113 CO 0.01 0.80 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.59 2nux h TYR 114 N 0.96 -0.47 -0.33 -1.35 3.20 -1.17 -2.12 116.97 115.69 2nux h TYR 114 Ca 0.23 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 2nux h TYR 114 Cb 0.19 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2nux h TYR 114 CO 0.01 -0.26 -0.43 1.88 -1.64 0.00 0.00 178.16 177.72 2nux h TYR 115 N -0.26 1.02 -0.54 -3.82 0.05 -1.23 -3.00 116.97 109.19 2nux h TYR 115 Ca 0.08 -0.32 0.06 0.00 0.05 0.00 0.00 58.73 58.60 2nux h TYR 115 Cb 0.37 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 2nux h TYR 115 CO -0.26 1.12 0.36 0.93 -1.05 0.00 0.00 178.16 179.26 2nux h GLU 116 N 0.68 0.49 -0.22 4.88 5.08 -0.71 -1.16 114.58 123.61 2nux h GLU 116 Ca 0.05 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 2nux h GLU 116 Cb 1.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2nux h GLU 116 CO 0.10 0.32 -0.65 1.49 -1.00 0.00 0.00 179.01 179.27 2nux h GLU 117 N 0.50 0.81 -0.48 2.33 4.57 -1.28 -1.07 114.58 119.97 2nux h GLU 117 Ca 0.24 -0.57 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2nux h GLU 117 Cb 0.29 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2nux h GLU 117 CO -0.06 1.20 0.21 0.82 -1.18 0.00 0.00 179.01 179.99 2nux h ILE 118 N 0.59 1.20 -0.20 2.32 2.04 -1.25 -2.90 117.51 119.31 2nux h ILE 118 Ca -0.01 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 2nux h ILE 118 Cb 1.26 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2nux h ILE 118 CO 0.14 0.23 -0.29 0.00 0.00 0.00 0.00 178.15 178.22 2nux h ALA 119 N 1.05 1.13 0.00 1.87 0.00 -1.17 0.18 119.26 122.33 2nux h ALA 119 Ca 0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2nux h ALA 119 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2nux h ALA 119 CO -0.02 0.55 -0.28 -0.09 0.00 0.00 0.00 179.25 179.42 2nux h ARG 120 N 0.34 0.00 0.00 0.00 2.43 -1.00 -3.29 114.38 112.86 2nux h ARG 120 Ca 0.05 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.97 2nux h ARG 120 Cb 0.69 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.20 2nux h ARG 120 CO 0.05 0.28 -2.02 -0.89 -1.51 0.00 0.00 179.97 175.88 2nux n ILE 121 N -4.12 0.92 -2.38 1.20 2.08 -1.07 -4.98 119.36 111.01 2nux n ILE 121 Ca -0.02 -0.62 -0.41 0.00 0.56 0.00 0.00 62.75 62.26 2nux n ILE 121 Cb 0.33 -0.49 -0.03 0.00 -0.75 0.00 0.00 39.64 38.70 2nux n ILE 121 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2nux s SER 122 N -4.77 7.09 0.00 4.38 0.15 0.03 -4.88 113.70 115.70 2nux s SER 122 Ca -0.07 2.24 0.23 0.00 0.70 0.00 0.00 55.95 59.04 2nux s SER 122 Cb 0.05 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.32 2nux s SER 122 CO 0.64 -0.36 1.49 -1.54 1.20 0.00 0.00 173.24 174.67 2nux n SER 123 N 2.40 3.78 -4.82 5.45 3.41 -1.26 -4.91 113.62 117.67 2nux n SER 123 Ca 0.04 -2.00 -0.22 0.00 -0.26 0.00 0.00 58.87 56.44 2nux n SER 123 Cb 0.45 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 2nux n SER 123 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2nux s HIS 124 N -1.17 2.89 0.41 7.33 3.76 -1.26 -5.09 115.29 122.16 2nux s HIS 124 Ca 0.45 -0.29 -0.26 0.00 -0.15 0.00 0.00 55.06 54.81 2nux s HIS 124 Cb 0.24 -1.69 -0.09 0.00 1.11 0.00 0.00 32.58 32.15 2nux s HIS 124 CO 0.33 0.27 1.39 -1.12 -0.85 0.00 0.00 174.74 174.76 2nux s SER 125 N -3.94 6.17 -0.14 1.40 0.01 -1.26 -4.79 113.70 111.15 2nux s SER 125 Ca 0.39 2.84 -0.13 0.00 1.31 0.00 0.00 55.95 60.35 2nux s SER 125 Cb -0.05 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2nux s SER 125 CO 0.25 -0.97 0.29 -0.22 0.41 0.00 0.00 173.24 173.01 2nux s LEU 126 N -2.45 4.28 -0.19 2.44 2.96 -1.26 -1.91 118.68 122.55 2nux s LEU 126 Ca 0.57 0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 2nux s LEU 126 Cb -0.42 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 43.91 2nux s LEU 126 CO 0.55 0.15 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.27 2nux s TYR 127 N 0.18 2.85 -0.14 5.38 2.02 0.04 -0.74 117.35 126.94 2nux s TYR 127 Ca 0.17 -1.41 -0.22 0.00 -0.37 0.00 0.00 57.07 55.24 2nux s TYR 127 Cb -0.13 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 2nux s TYR 127 CO 0.05 -0.72 0.67 0.42 -1.57 0.00 0.00 175.55 174.40 2nux s ILE 128 N 1.36 5.03 -0.46 2.71 -1.09 -0.20 -2.67 121.20 125.87 2nux s ILE 128 Ca 0.05 1.32 -0.09 0.00 -2.23 0.00 0.00 60.65 59.70 2nux s ILE 128 Cb -0.13 -3.99 0.11 0.00 -1.58 0.00 0.00 42.46 36.86 2nux s ILE 128 CO -0.10 0.17 0.32 -0.47 -1.23 0.00 0.00 174.94 173.64 2nux s TYR 129 N 1.39 3.40 -0.31 3.97 5.04 -0.75 -0.34 117.35 129.75 2nux s TYR 129 Ca 0.33 -1.77 -0.14 0.00 -2.44 0.00 0.00 57.07 53.05 2nux s TYR 129 Cb -0.17 -3.35 -0.03 0.00 0.35 0.00 0.00 41.96 38.76 2nux s TYR 129 CO 0.14 -0.95 0.33 1.21 -1.34 0.00 0.00 175.55 174.93 2nux s ASN 130 N 2.54 6.16 -0.41 4.32 2.47 0.49 -3.94 114.94 126.57 2nux s ASN 130 Ca 0.05 -0.06 0.08 0.00 0.42 0.00 0.00 52.86 53.35 2nux s ASN 130 Cb -0.25 -2.18 0.26 0.00 -1.45 0.00 0.00 41.25 37.62 2nux s ASN 130 CO 0.00 -0.24 0.64 0.00 -3.72 0.00 0.00 177.10 173.78 2nux n TYR 131 N 5.30 -1.05 -0.33 0.43 4.19 -1.26 -0.44 117.16 123.99 2nux n TYR 131 Ca -0.10 -3.14 0.21 0.00 3.31 0.00 0.00 57.90 58.18 2nux n TYR 131 Cb 0.50 0.13 0.43 0.00 0.49 0.00 0.00 39.34 40.89 2nux n TYR 131 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 2nux h PRO 132 N 3.87 0.32 0.00 2.98 0.11 -1.76 0.11 132.00 137.62 2nux h PRO 132 Ca 0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2nux h PRO 132 Cb 0.93 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2nux h PRO 132 CO 0.42 0.21 -0.10 0.00 -0.21 0.00 0.00 178.00 178.33 2nux h ALA 133 N 1.83 1.23 0.05 -0.75 0.00 -1.88 0.17 119.26 119.91 2nux h ALA 133 Ca 0.70 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 55.15 2nux h ALA 133 Cb 1.54 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2nux h ALA 133 CO -0.60 0.12 -2.07 0.00 0.00 0.00 0.00 179.25 176.70 2nux n ALA 134 N -2.24 1.06 0.02 0.00 0.00 0.30 -4.63 120.51 115.01 2nux n ALA 134 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 53.44 52.65 2nux n ALA 134 Cb 0.23 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 2nux n ALA 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2nux n THR 135 N -3.72 1.02 -0.61 0.00 -2.24 -0.77 -4.78 114.28 103.18 2nux n THR 135 Ca -0.39 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2nux n THR 135 Cb 0.94 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2nux n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nux n GLY 136 N 1.39 0.74 3.02 3.38 0.00 0.59 -4.09 105.19 110.22 2nux n GLY 136 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2nux n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nux s TYR 137 N -2.49 0.73 -0.17 1.61 2.02 -1.25 -5.01 117.35 112.80 2nux s TYR 137 Ca 0.00 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2nux s TYR 137 Cb 0.00 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 41.07 2nux s TYR 137 CO 0.00 -0.01 -0.04 0.34 -1.57 0.00 0.00 175.55 174.27 2nux s ASP 138 N -0.40 4.73 -0.45 2.29 2.15 -1.26 -3.68 116.67 120.06 2nux s ASP 138 Ca 0.02 -0.17 -0.25 0.00 0.43 0.00 0.00 52.55 52.58 2nux s ASP 138 Cb -0.04 -1.78 0.03 0.00 -0.30 0.00 0.00 42.92 40.83 2nux s ASP 138 CO -0.00 0.14 0.88 -0.63 -0.17 0.00 0.00 175.17 175.39 2nux s ILE 139 N 0.53 4.54 0.45 4.11 1.01 -1.26 -5.04 121.20 125.54 2nux s ILE 139 Ca -0.03 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 2nux s ILE 139 Cb -0.14 -4.39 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 2nux s ILE 139 CO 0.03 -0.76 0.83 -2.16 0.00 0.00 0.00 174.94 172.87 2nux s PRO 140 N 3.58 3.77 0.55 2.79 0.04 -1.26 -4.95 135.00 139.52 2nux s PRO 140 Ca 0.35 0.55 0.31 0.00 0.04 0.00 0.00 61.00 62.25 2nux s PRO 140 Cb -0.11 -2.32 1.47 0.00 0.04 0.00 0.00 34.50 33.59 2nux s PRO 140 CO 0.24 -0.14 1.88 -1.35 0.04 0.00 0.00 177.00 177.67 2nux h PRO 141 N 0.95 0.00 -0.62 0.56 0.11 -1.97 -2.17 132.00 128.85 2nux h PRO 141 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 2nux h PRO 141 Cb 1.19 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 2nux h PRO 141 CO 0.63 0.00 -0.34 0.77 -0.21 0.00 0.00 178.00 178.85 2nux h SER 142 N 0.00 -1.18 -0.55 -2.05 0.02 -1.98 -0.53 113.55 107.27 2nux h SER 142 Ca 0.39 0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 61.48 2nux h SER 142 Cb 1.65 0.59 -0.02 0.00 0.14 0.00 0.00 62.40 64.76 2nux h SER 142 CO -0.00 -0.30 -0.02 0.40 -1.14 0.00 0.00 176.83 175.76 2nux h ILE 143 N -0.15 1.27 0.00 3.27 2.04 -1.78 -3.22 117.51 118.94 2nux h ILE 143 Ca 0.24 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2nux h ILE 143 Cb 0.55 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2nux h ILE 143 CO -0.70 0.41 0.00 -0.07 0.00 0.00 0.00 178.15 177.79 2nux h LEU 144 N 0.87 0.00 -1.70 1.44 3.38 -1.13 -3.02 115.31 115.14 2nux h LEU 144 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2nux h LEU 144 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2nux h LEU 144 CO 0.03 0.00 -0.12 0.11 0.09 0.00 0.00 178.44 178.55 2nux h LYS 145 N 0.00 0.00 0.00 1.13 1.57 -1.17 -2.71 116.57 115.40 2nux h LYS 145 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2nux h LYS 145 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2nux h LYS 145 CO 0.00 0.12 -0.57 0.77 -0.57 0.00 0.00 179.45 179.20 2nux h SER 146 N 0.00 0.00 -2.87 0.86 0.02 -1.72 -3.47 113.55 106.37 2nux h SER 146 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2nux h SER 146 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2nux h SER 146 CO 0.02 0.18 -0.40 -0.76 -1.14 0.00 0.00 176.83 174.72 2nux s LEU 147 N -5.96 4.29 -1.41 5.07 1.43 -1.02 -5.00 118.68 116.08 2nux s LEU 147 Ca 0.03 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 2nux s LEU 147 Cb 0.07 -3.09 0.07 0.00 0.03 0.00 0.00 46.19 43.27 2nux s LEU 147 CO 0.74 0.05 2.35 -0.81 0.23 0.00 0.00 176.35 178.90 2nux n PRO 148 N -0.24 3.77 -2.46 1.29 -0.04 -1.26 -4.95 135.00 131.11 2nux n PRO 148 Ca -0.05 -3.02 -0.42 0.00 -0.04 0.00 0.00 63.50 59.97 2nux n PRO 148 Cb 0.53 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 2nux n PRO 148 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nux s VAL 149 N 0.90 4.15 -0.20 0.52 1.01 -1.26 -4.07 120.40 121.45 2nux s VAL 149 Ca 0.52 1.54 0.05 0.00 0.00 0.00 0.00 61.98 64.09 2nux s VAL 149 Cb 0.15 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.33 2nux s VAL 149 CO -0.06 0.10 0.02 1.17 0.00 0.00 0.00 175.10 176.33 2nux n LYS 150 N 4.10 0.68 -3.90 2.72 4.81 0.08 -4.79 118.16 121.86 2nux n LYS 150 Ca 0.09 0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.59 2nux n LYS 150 Cb 0.47 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.87 2nux n LYS 150 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2nux s GLY 151 N -6.01 0.20 -0.05 3.14 0.00 -0.96 -1.00 107.32 102.64 2nux s GLY 151 Ca -0.25 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 2nux s GLY 151 CO 0.70 -0.86 0.00 -0.42 0.00 0.00 0.00 173.10 172.52 2nux s ILE 152 N -3.89 0.26 -0.26 0.90 1.01 0.28 -1.04 121.20 118.47 2nux s ILE 152 Ca 0.08 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2nux s ILE 152 Cb 0.05 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 2nux s ILE 152 CO -0.09 0.21 0.30 -0.75 0.00 0.00 0.00 174.94 174.61 2nux s LYS 153 N 1.56 4.02 -0.36 2.79 2.20 0.54 -0.94 119.74 129.55 2nux s LYS 153 Ca -0.02 -0.08 -0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2nux s LYS 153 Cb -0.13 -3.63 0.09 0.00 -1.51 0.00 0.00 37.83 32.65 2nux s LYS 153 CO -0.03 -0.19 0.10 0.34 -0.36 0.00 0.00 175.35 175.20 2nux s ASP 154 N 1.56 4.99 -0.73 1.43 2.15 0.30 -0.38 116.67 125.99 2nux s ASP 154 Ca 0.12 -1.87 -0.21 0.00 0.43 0.00 0.00 52.55 51.03 2nux s ASP 154 Cb -0.16 -1.73 0.09 0.00 -0.30 0.00 0.00 42.92 40.83 2nux s ASP 154 CO 0.09 -0.41 0.97 -0.89 -0.17 0.00 0.00 175.17 174.76 2nux s THR 155 N 1.09 4.53 -0.18 1.71 2.01 0.41 -0.87 115.64 124.34 2nux s THR 155 Ca 0.05 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 2nux s THR 155 Cb -0.21 -4.68 0.05 0.00 0.01 0.00 0.00 72.50 67.67 2nux s THR 155 CO -0.05 -1.42 0.49 0.21 -0.69 0.00 0.00 174.62 173.16 2nux s ASN 156 N 3.65 -0.51 0.00 3.53 3.84 -1.26 -4.37 114.94 119.83 2nux s ASN 156 Ca 0.23 0.97 0.29 0.00 0.21 0.00 0.00 52.86 54.56 2nux s ASN 156 Cb -0.14 0.99 1.17 0.00 -0.55 0.00 0.00 41.25 42.72 2nux s ASN 156 CO 0.04 -0.17 1.86 0.00 -2.79 0.00 0.00 177.10 176.03 2nux n GLN 157 N 2.79 0.22 -3.17 0.43 1.13 -1.26 -4.58 117.38 112.94 2nux n GLN 157 Ca -0.13 -0.04 -0.45 0.00 -1.94 0.00 0.00 57.00 54.43 2nux n GLN 157 Cb 0.57 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.37 2nux n GLN 157 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2nux s ASP 158 N -2.82 6.19 0.52 1.08 -1.08 -1.26 -4.90 116.67 114.40 2nux s ASP 158 Ca 0.19 -1.44 0.18 0.00 -0.52 0.00 0.00 52.55 50.96 2nux s ASP 158 Cb 0.19 -2.28 1.29 0.00 -1.46 0.00 0.00 42.92 40.67 2nux s ASP 158 CO 0.53 -1.02 2.13 0.25 0.52 0.00 0.00 175.17 177.58 2nux h LEU 159 N 9.69 0.00 -1.47 -1.34 5.85 -2.02 -0.22 115.31 125.80 2nux h LEU 159 Ca -0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2nux h LEU 159 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2nux h LEU 159 CO 1.07 0.04 0.11 0.00 -0.34 0.00 0.00 178.44 179.31 2nux h ALA 160 N 1.96 1.59 -0.54 1.25 0.00 -1.97 -0.99 119.26 120.56 2nux h ALA 160 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2nux h ALA 160 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2nux h ALA 160 CO 0.00 0.32 0.20 1.25 0.00 0.00 0.00 179.25 181.02 2nux h HIS 161 N 0.46 0.84 -0.49 0.00 -0.00 -1.44 -0.48 115.15 114.05 2nux h HIS 161 Ca 0.11 -0.07 -0.12 0.00 -0.00 0.00 0.00 60.37 60.30 2nux h HIS 161 Cb 0.13 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2nux h HIS 161 CO 0.00 0.70 -0.15 0.77 -0.00 0.00 0.00 177.93 179.25 2nux h SER 162 N 0.74 0.98 0.12 3.26 0.02 -1.41 -3.08 113.55 114.18 2nux h SER 162 Ca 0.18 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2nux h SER 162 Cb 0.23 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2nux h SER 162 CO -0.01 1.13 -0.24 0.25 -1.14 0.00 0.00 176.83 176.82 2nux h LEU 163 N 0.82 0.20 -1.68 5.07 5.85 -1.03 -2.47 115.31 122.07 2nux h LEU 163 Ca 0.12 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2nux h LEU 163 Cb 0.72 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2nux h LEU 163 CO 0.05 0.45 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.42 2nux h GLU 164 N 0.19 0.07 0.02 1.25 4.81 -0.99 -2.63 114.58 117.30 2nux h GLU 164 Ca 0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2nux h GLU 164 Cb 0.53 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2nux h GLU 164 CO 0.04 0.18 -0.01 1.88 -0.73 0.00 0.00 179.01 180.36 2nux h TYR 165 N 0.07 -0.03 -0.98 0.92 0.05 -1.48 -2.19 116.97 113.32 2nux h TYR 165 Ca 0.01 -0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.06 2nux h TYR 165 Cb 0.23 0.01 -0.13 0.00 1.01 0.00 0.00 36.73 37.85 2nux h TYR 165 CO 0.00 0.17 0.54 0.87 -1.05 0.00 0.00 178.16 178.70 2nux h LYS 166 N -0.23 0.44 0.13 4.88 1.79 -1.51 -0.48 116.57 121.58 2nux h LYS 166 Ca -0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2nux h LYS 166 Cb 0.22 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2nux h LYS 166 CO 0.01 0.29 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.53 2nux h LEU 167 N 0.45 -0.15 -0.05 2.94 3.38 -1.39 -3.34 115.31 117.15 2nux h LEU 167 Ca 0.66 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2nux h LEU 167 Cb 1.36 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2nux h LEU 167 CO -0.54 0.36 -0.13 0.59 0.09 0.00 0.00 178.44 178.81 2nux n ASN 168 N -4.93 0.21 -3.42 -0.43 5.03 -0.84 -4.37 115.26 106.51 2nux n ASN 168 Ca -0.08 0.02 -0.26 0.00 0.87 0.00 0.00 54.58 55.12 2nux n ASN 168 Cb 0.27 -0.22 -0.09 0.00 -1.02 0.00 0.00 39.78 38.72 2nux n ASN 168 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2nux n LEU 169 N -1.35 1.29 -4.66 3.41 4.77 -0.23 -4.98 117.00 115.26 2nux n LEU 169 Ca 0.09 -4.87 -0.45 0.00 -0.03 0.00 0.00 56.01 50.76 2nux n LEU 169 Cb 0.31 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2nux n LEU 169 CO 0.27 1.96 0.90 -2.65 -1.33 0.00 0.00 177.39 176.54 2nux n PRO 170 N 1.75 1.87 -0.67 3.23 -0.02 -1.26 -1.87 135.00 138.04 2nux n PRO 170 Ca 0.25 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2nux n PRO 170 Cb 0.46 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2nux n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nux n GLY 171 N 1.72 1.47 3.79 -1.23 0.00 -1.26 -5.02 105.19 104.65 2nux n GLY 171 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2nux n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nux s VAL 172 N -3.59 4.87 -0.08 1.61 1.01 -0.78 -4.98 120.40 118.47 2nux s VAL 172 Ca 0.00 1.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.87 2nux s VAL 172 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2nux s VAL 172 CO 0.00 0.49 0.89 -0.54 0.00 0.00 0.00 175.10 175.93 2nux s LYS 173 N -0.60 4.44 -0.09 2.72 1.02 -0.17 -4.86 119.74 122.20 2nux s LYS 173 Ca 0.29 1.20 0.03 0.00 0.02 0.00 0.00 55.97 57.51 2nux s LYS 173 Cb -0.18 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 2nux s LYS 173 CO 0.17 -0.14 -0.19 0.08 -0.92 0.00 0.00 175.35 174.35 2nux s VAL 174 N 1.42 2.53 0.05 3.17 1.01 -1.26 -0.55 120.40 126.77 2nux s VAL 174 Ca 0.45 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2nux s VAL 174 Cb -0.19 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2nux s VAL 174 CO 0.20 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.37 2nux s TYR 175 N 0.10 1.48 -0.02 5.22 2.02 -0.12 -0.69 117.35 125.34 2nux s TYR 175 Ca -0.09 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 2nux s TYR 175 Cb -0.15 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 2nux s TYR 175 CO 0.06 0.08 0.04 1.21 -1.57 0.00 0.00 175.55 175.37 2nux s ASN 176 N -1.33 5.41 0.00 2.29 3.84 -1.10 -0.54 114.94 123.51 2nux s ASN 176 Ca 0.04 0.09 0.24 0.00 0.21 0.00 0.00 52.86 53.44 2nux s ASN 176 Cb -0.09 -1.50 0.31 0.00 -0.55 0.00 0.00 41.25 39.42 2nux s ASN 176 CO 0.02 0.29 1.28 0.61 -2.79 0.00 0.00 177.10 176.51 2nux n GLY 177 N 1.40 -0.65 3.74 1.21 0.00 -0.05 -1.66 105.19 109.18 2nux n GLY 177 Ca -0.14 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2nux n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nux s SER 178 N -2.70 7.37 0.22 1.61 0.15 -1.26 -4.38 113.70 114.71 2nux s SER 178 Ca 0.17 1.99 0.07 0.00 0.70 0.00 0.00 55.95 58.88 2nux s SER 178 Cb 0.18 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 62.05 2nux s SER 178 CO 0.64 -0.14 1.50 0.78 1.20 0.00 0.00 173.24 177.22 2nux h ASN 179 N 5.14 0.09 -0.00 5.45 2.35 -1.93 -3.21 115.58 123.47 2nux h ASN 179 Ca -0.44 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2nux h ASN 179 Cb 1.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2nux h ASN 179 CO 0.72 0.79 0.00 0.35 -1.65 0.00 0.00 177.43 177.64 2nux n THR 180 N -3.70 0.00 -0.85 2.81 -2.24 -1.26 -3.33 114.28 105.72 2nux n THR 180 Ca -0.02 -0.04 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2nux n THR 180 Cb 0.71 -0.33 0.05 0.00 -2.10 0.00 0.00 70.33 68.67 2nux n THR 180 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nux n LEU 181 N -0.80 1.53 -0.10 3.22 4.77 -1.21 -4.88 117.00 119.53 2nux n LEU 181 Ca 0.22 -1.95 -0.05 0.00 -0.03 0.00 0.00 56.01 54.20 2nux n LEU 181 Cb 0.14 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2nux n LEU 181 CO 0.17 0.47 0.78 0.40 -1.33 0.00 0.00 177.39 177.87 2nux h ILE 182 N 1.53 0.58 -0.68 -0.08 2.04 -1.60 -1.40 117.51 117.90 2nux h ILE 182 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2nux h ILE 182 Cb 0.90 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 2nux h ILE 182 CO 0.00 0.00 0.22 0.22 0.00 0.00 0.00 178.15 178.59 2nux h TYR 183 N -0.04 0.37 -0.41 1.37 5.03 -1.89 -1.62 116.97 119.78 2nux h TYR 183 Ca 0.18 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.37 2nux h TYR 183 Cb 0.31 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 2nux h TYR 183 CO -0.35 0.03 -0.35 1.88 -1.32 0.00 0.00 178.16 178.04 2nux h TYR 184 N 0.36 1.14 -0.78 -3.82 0.05 -1.67 -3.03 116.97 109.22 2nux h TYR 184 Ca 0.36 -0.33 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 2nux h TYR 184 Cb 0.53 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 2nux h TYR 184 CO -0.20 1.16 0.29 0.77 -1.05 0.00 0.00 178.16 179.13 2nux h SER 185 N 0.79 1.10 0.68 3.88 0.02 -0.86 -1.73 113.55 117.44 2nux h SER 185 Ca 0.07 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2nux h SER 185 Cb 0.95 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2nux h SER 185 CO 0.09 0.99 0.00 0.18 -1.14 0.00 0.00 176.83 176.95 2nux n LEU 186 N -4.26 0.71 -1.16 5.07 4.77 -0.65 -0.74 117.00 120.73 2nux n LEU 186 Ca 0.07 0.69 0.11 0.00 -0.03 0.00 0.00 56.01 56.84 2nux n LEU 186 Cb 0.20 -0.60 0.25 0.00 -2.33 0.00 0.00 43.42 40.94 2nux n LEU 186 CO 0.41 -0.62 0.72 0.18 -1.33 0.00 0.00 177.39 176.75 2nux n LEU 187 N -2.29 3.58 0.00 2.23 4.77 -0.67 -4.75 117.00 119.87 2nux n LEU 187 Ca 0.02 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 2nux n LEU 187 Cb 0.22 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2nux n LEU 187 CO 0.19 0.84 0.00 -1.54 -1.33 0.00 0.00 177.39 175.56 2nux n SER 188 N 1.42 0.00 -3.34 -1.43 3.41 -0.95 -5.08 113.62 107.66 2nux n SER 188 Ca 0.20 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 2nux n SER 188 Cb 0.58 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2nux n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nux n LEU 189 N -0.30 0.00 0.04 1.04 4.77 0.08 -5.03 117.00 117.61 2nux n LEU 189 Ca 0.00 -1.39 0.13 0.00 -0.03 0.00 0.00 56.01 54.72 2nux n LEU 189 Cb 0.00 0.01 0.53 0.00 -2.33 0.00 0.00 43.42 41.63 2nux n LEU 189 CO 0.00 -0.39 0.93 0.47 -1.33 0.00 0.00 177.39 177.07 2nux n ASP 190 N -1.82 0.29 0.00 -1.43 8.00 0.13 -4.66 116.55 117.06 2nux n ASP 190 Ca -0.02 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2nux n ASP 190 Cb 0.30 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2nux n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nux n GLY 191 N 1.35 -0.49 3.01 0.44 0.00 -1.22 -1.13 105.19 107.14 2nux n GLY 191 Ca 0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2nux n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nux s VAL 192 N -3.14 0.20 -0.59 1.61 -7.23 -0.19 -2.70 120.40 108.35 2nux s VAL 192 Ca 0.00 -1.03 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 2nux s VAL 192 Cb 0.00 -0.44 0.17 0.00 0.56 0.00 0.00 36.38 36.67 2nux s VAL 192 CO 0.00 -0.53 0.44 0.52 -0.31 0.00 0.00 175.10 175.23 2nux n VAL 193 N 1.43 0.55 -4.22 1.32 0.31 -0.66 -1.15 118.33 115.91 2nux n VAL 193 Ca -0.23 -4.32 -0.34 0.00 -0.01 0.00 0.00 64.34 59.43 2nux n VAL 193 Cb 0.56 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.40 2nux n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nux s ALA 194 N -0.92 3.27 0.50 3.52 0.00 -1.19 -4.36 121.76 122.58 2nux s ALA 194 Ca 0.28 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.62 2nux s ALA 194 Cb -0.00 -1.70 1.20 0.00 0.00 0.00 0.00 23.12 22.62 2nux s ALA 194 CO -0.18 0.31 2.12 0.66 0.00 0.00 0.00 175.76 178.67 2nux h SER 195 N 6.24 0.02 0.61 0.00 4.64 -1.88 -1.96 113.55 121.22 2nux h SER 195 Ca -0.39 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2nux h SER 195 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nux h SER 195 CO 0.64 0.05 0.00 -0.26 -0.87 0.00 0.00 176.83 176.38 2nux h PHE 196 N 0.03 0.00 -0.01 4.77 -1.00 -1.95 -2.14 116.94 116.64 2nux h PHE 196 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2nux h PHE 196 Cb 0.05 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 2nux h PHE 196 CO 0.00 0.00 0.02 1.79 -1.61 0.00 0.00 178.31 178.51 2nux h THR 197 N 0.00 0.38 -0.82 -1.55 1.35 -1.63 -1.27 112.91 109.37 2nux h THR 197 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 2nux h THR 197 Cb 0.30 0.99 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 2nux h THR 197 CO 0.00 0.00 0.52 0.78 -0.25 0.00 0.00 175.52 176.57 2nux h ASN 198 N 0.00 0.84 0.00 5.36 2.35 -1.60 -2.97 115.58 119.57 2nux h ASN 198 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2nux h ASN 198 Cb 0.04 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2nux h ASN 198 CO -0.00 0.57 -0.69 2.22 -1.65 0.00 0.00 177.43 177.87 2nux n PHE 199 N -4.60 0.00 -2.91 1.19 1.16 -0.83 -4.73 117.46 106.73 2nux n PHE 199 Ca 0.10 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.51 2nux n PHE 199 Cb 0.12 -0.06 -0.01 0.00 -1.61 0.00 0.00 39.48 37.92 2nux n PHE 199 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 2nux n ILE 200 N -1.38 0.90 -0.29 1.97 -5.35 -0.54 -4.61 119.36 110.06 2nux n ILE 200 Ca 0.00 -4.26 -0.05 0.00 -0.27 0.00 0.00 62.75 58.17 2nux n ILE 200 Cb 0.13 -0.21 0.07 0.00 -1.74 0.00 0.00 39.64 37.88 2nux n ILE 200 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2nux h PRO 201 N 2.96 1.09 -0.71 6.28 0.13 -1.69 -2.47 132.00 137.58 2nux h PRO 201 Ca 0.06 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2nux h PRO 201 Cb 0.97 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 2nux h PRO 201 CO 0.58 0.79 0.47 1.05 -0.23 0.00 0.00 178.00 180.66 2nux h GLU 202 N 1.09 0.90 -0.06 0.86 9.09 -1.89 0.41 114.58 124.98 2nux h GLU 202 Ca 0.28 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.63 2nux h GLU 202 Cb -0.00 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 26.89 2nux h GLU 202 CO -0.05 0.60 0.03 0.28 0.05 0.00 0.00 179.01 179.92 2nux h VAL 203 N 0.93 1.11 -0.24 -1.06 2.07 -1.84 0.82 116.25 118.04 2nux h VAL 203 Ca 0.27 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 2nux h VAL 203 Cb -0.05 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2nux h VAL 203 CO -0.07 0.09 -0.37 0.40 0.02 0.00 0.00 177.57 177.65 2nux h ILE 204 N -0.02 1.29 -0.22 4.57 2.04 -1.34 -1.33 117.51 122.49 2nux h ILE 204 Ca 0.02 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.31 2nux h ILE 204 Cb 0.12 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2nux h ILE 204 CO -0.00 0.47 -0.16 0.58 0.00 0.00 0.00 178.15 179.03 2nux h VAL 205 N 0.44 1.22 -0.35 1.67 2.07 -0.77 -2.40 116.25 118.13 2nux h VAL 205 Ca 0.05 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 2nux h VAL 205 Cb 0.84 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2nux h VAL 205 CO 0.07 0.32 -0.21 0.50 0.02 0.00 0.00 177.57 178.27 2nux h LYS 206 N 0.35 0.77 -0.59 1.57 1.63 -0.33 -1.35 116.57 118.61 2nux h LYS 206 Ca 0.06 -0.35 0.05 0.00 -0.85 0.00 0.00 60.65 59.56 2nux h LYS 206 Cb 0.50 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 2nux h LYS 206 CO 0.03 0.97 0.31 1.96 -3.45 0.00 0.00 179.45 179.28 2nux h GLN 207 N 0.55 0.58 -0.24 1.90 4.20 -1.07 0.21 115.11 121.24 2nux h GLN 207 Ca 0.07 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2nux h GLN 207 Cb 0.76 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2nux h GLN 207 CO 0.06 0.38 0.13 -0.09 -0.67 0.00 0.00 178.83 178.65 2nux h ARG 208 N 0.60 0.34 -0.35 1.46 1.12 -1.24 -1.11 114.38 115.19 2nux h ARG 208 Ca 0.26 -0.04 -0.15 0.00 -1.11 0.00 0.00 59.98 58.94 2nux h ARG 208 Cb 0.15 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2nux h ARG 208 CO -0.17 0.30 -0.36 -0.44 -3.11 0.00 0.00 179.97 176.19 2nux h ASP 209 N 0.28 0.86 -0.60 -3.80 3.32 -0.95 -1.07 116.42 114.46 2nux h ASP 209 Ca 0.08 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2nux h ASP 209 Cb 0.06 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2nux h ASP 209 CO -0.01 1.13 0.21 -0.07 -1.72 0.00 0.00 179.24 178.77 2nux h LEU 210 N 0.67 0.86 -0.88 1.55 3.38 -0.49 -1.92 115.31 118.48 2nux h LEU 210 Ca 0.06 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2nux h LEU 210 Cb 0.92 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2nux h LEU 210 CO 0.08 0.82 -0.16 0.40 0.09 0.00 0.00 178.44 179.67 2nux h ILE 211 N 0.85 1.26 0.00 1.22 2.04 -1.10 0.10 117.51 121.88 2nux h ILE 211 Ca 0.20 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 2nux h ILE 211 Cb 0.26 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2nux h ILE 211 CO -0.01 0.39 -0.19 0.50 0.00 0.00 0.00 178.15 178.85 2nux h LYS 212 N 0.58 0.00 -0.14 2.37 3.64 -0.83 -1.31 116.57 120.87 2nux h LYS 212 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2nux h LYS 212 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2nux h LYS 212 CO 0.04 0.19 0.00 1.04 -2.27 0.00 0.00 179.45 178.45 2nux n GLN 213 N -4.15 1.89 -0.92 1.90 6.02 -0.75 -4.95 117.38 116.41 2nux n GLN 213 Ca -0.02 -1.32 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 2nux n GLN 213 Cb 0.26 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2nux n GLN 213 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nux n GLY 214 N 1.22 0.66 3.05 1.08 0.00 -0.49 -4.97 105.19 105.74 2nux n GLY 214 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2nux n GLY 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nux n LYS 215 N -2.67 3.67 0.05 1.61 5.02 0.30 -4.79 118.16 121.35 2nux n LYS 215 Ca 0.00 -3.79 -0.07 0.00 -2.02 0.00 0.00 58.31 52.44 2nux n LYS 215 Cb 0.00 -2.88 0.11 0.00 -0.02 0.00 0.00 35.03 32.24 2nux n LYS 215 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2nux h LEU 216 N 7.94 0.43 -1.18 -0.35 3.38 -1.91 -2.90 115.31 120.72 2nux h LEU 216 Ca 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2nux h LEU 216 Cb 0.70 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2nux h LEU 216 CO 1.46 0.89 0.50 0.44 0.09 0.00 0.00 178.44 181.82 2nux h ASP 217 N 0.30 0.92 0.35 -0.43 3.32 -1.97 0.63 116.42 119.55 2nux h ASP 217 Ca 0.00 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 2nux h ASP 217 Cb 1.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2nux h ASP 217 CO 0.09 0.69 -0.79 0.44 -1.72 0.00 0.00 179.24 177.95 2nux h ASP 218 N 1.08 0.42 0.16 6.45 3.32 -1.96 -1.48 116.42 124.42 2nux h ASP 218 Ca 0.29 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 2nux h ASP 218 Cb -0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2nux h ASP 218 CO -0.06 1.05 -0.65 0.00 -1.72 0.00 0.00 179.24 177.86 2nux h ALA 219 N 0.93 0.65 -0.16 3.45 0.00 -1.24 -2.61 119.26 120.29 2nux h ALA 219 Ca -0.04 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 2nux h ALA 219 Cb 1.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2nux h ALA 219 CO 0.13 0.73 -0.56 1.25 0.00 0.00 0.00 179.25 180.80 2nux h LEU 220 N 0.33 0.53 -0.60 0.00 5.85 -0.85 -1.85 115.31 118.72 2nux h LEU 220 Ca -0.02 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2nux h LEU 220 Cb 1.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2nux h LEU 220 CO 0.12 0.98 0.34 -0.09 -0.34 0.00 0.00 178.44 179.45 2nux h ARG 221 N 0.36 0.82 -0.41 1.25 2.43 -1.17 -0.50 114.38 117.15 2nux h ARG 221 Ca 0.00 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 2nux h ARG 221 Cb 1.09 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2nux h ARG 221 CO 0.10 0.61 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.10 2nux h LEU 222 N 0.81 0.64 -0.84 3.80 3.38 -1.32 -2.71 115.31 119.07 2nux h LEU 222 Ca 0.21 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2nux h LEU 222 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2nux h LEU 222 CO -0.04 0.71 0.11 -0.61 0.09 0.00 0.00 178.44 178.71 2nux h GLN 223 N 0.63 0.98 -0.67 1.13 5.75 -0.47 -1.60 115.11 120.86 2nux h GLN 223 Ca 0.13 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2nux h GLN 223 Cb 0.41 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 2nux h GLN 223 CO 0.02 0.89 0.42 0.93 -2.65 0.00 0.00 178.83 178.44 2nux h GLU 224 N 0.92 0.80 -0.26 1.69 5.08 -0.81 -0.62 114.58 121.38 2nux h GLU 224 Ca 0.19 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2nux h GLU 224 Cb 0.39 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2nux h GLU 224 CO 0.01 0.53 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.20 2nux h LEU 225 N 0.82 0.52 -0.29 1.33 3.38 -1.27 -2.33 115.31 117.47 2nux h LEU 225 Ca 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2nux h LEU 225 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2nux h LEU 225 CO -0.10 0.78 0.12 0.40 0.09 0.00 0.00 178.44 179.73 2nux h ILE 226 N 0.45 1.17 0.00 1.22 2.04 -0.72 -1.84 117.51 119.82 2nux h ILE 226 Ca 0.06 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2nux h ILE 226 Cb 0.71 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2nux h ILE 226 CO 0.05 0.18 -0.19 0.78 0.00 0.00 0.00 178.15 178.97 2nux h ASN 227 N 0.32 0.00 -0.06 1.72 4.21 -0.95 -0.37 115.58 120.45 2nux h ASN 227 Ca 0.10 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.40 2nux h ASN 227 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2nux h ASN 227 CO -0.01 0.19 -0.71 0.03 -1.29 0.00 0.00 177.43 175.64 2nux h ARG 228 N 0.00 0.70 -0.53 0.81 3.08 -1.19 -2.83 114.38 114.41 2nux h ARG 228 Ca -0.00 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2nux h ARG 228 Cb 0.36 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2nux h ARG 228 CO 0.02 1.15 0.34 -0.07 -1.07 0.00 0.00 179.97 180.34 2nux h LEU 229 N 0.49 0.63 -0.58 3.04 3.38 -0.46 -2.81 115.31 119.00 2nux h LEU 229 Ca -0.03 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2nux h LEU 229 Cb 1.31 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2nux h LEU 229 CO 0.14 0.48 0.18 0.00 0.09 0.00 0.00 178.44 179.34 2nux h ALA 230 N 1.17 0.72 -0.81 1.53 0.00 -1.00 -0.66 119.26 120.22 2nux h ALA 230 Ca 0.19 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2nux h ALA 230 Cb -0.04 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2nux h ALA 230 CO -0.04 -0.24 0.51 -0.44 0.00 0.00 0.00 179.25 179.05 2nux h ASP 231 N 0.35 0.84 -0.28 0.00 3.32 -1.32 -2.81 116.42 116.51 2nux h ASP 231 Ca 0.29 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2nux h ASP 231 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2nux h ASP 231 CO -0.32 0.57 -0.06 0.40 -1.72 0.00 0.00 179.24 178.12 2nux h ILE 232 N 0.99 1.28 0.00 0.35 2.04 -0.93 -3.14 117.51 118.10 2nux h ILE 232 Ca 0.33 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2nux h ILE 232 Cb 0.04 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2nux h ILE 232 CO -0.12 0.34 -0.16 -0.07 0.00 0.00 0.00 178.15 178.13 2nux h LEU 233 N 0.30 0.00 -1.13 1.44 4.07 -1.04 -3.13 115.31 115.81 2nux h LEU 233 Ca 0.07 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.07 2nux h LEU 233 Cb 0.52 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.21 2nux h LEU 233 CO 0.03 0.16 0.59 0.03 -1.08 0.00 0.00 178.44 178.17 2nux h ARG 234 N 0.00 1.08 -0.95 1.13 3.08 -1.44 -1.59 114.38 115.70 2nux h ARG 234 Ca -0.00 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.07 2nux h ARG 234 Cb 0.38 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 2nux h ARG 234 CO 0.02 0.72 0.61 0.87 -1.07 0.00 0.00 179.97 181.12 2nux h LYS 235 N 1.12 0.98 0.00 0.04 1.57 -1.70 -2.81 116.57 115.77 2nux h LYS 235 Ca 0.36 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2nux h LYS 235 Cb 0.04 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2nux h LYS 235 CO -0.11 0.65 -0.93 0.66 -0.57 0.00 0.00 179.45 179.15 2nux n TYR 236 N -4.53 0.41 -0.09 -1.35 4.01 -0.82 -5.03 117.16 109.76 2nux n TYR 236 Ca 0.16 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 2nux n TYR 236 Cb 0.26 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 2nux n TYR 236 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nux n GLY 237 N 1.34 0.42 0.30 2.72 0.00 -0.66 -4.63 105.19 104.67 2nux n GLY 237 Ca 0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2nux n GLY 237 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2nux h SER 238 N 0.00 -0.81 -0.75 1.61 0.02 -1.80 0.28 113.55 112.10 2nux h SER 238 Ca 0.00 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2nux h SER 238 Cb 0.00 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2nux h SER 238 CO 0.00 -0.34 0.49 0.40 -1.14 0.00 0.00 176.83 176.24 2nux h ILE 239 N -0.41 1.14 -0.26 3.27 2.04 -1.94 -0.22 117.51 121.13 2nux h ILE 239 Ca 0.06 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 2nux h ILE 239 Cb 0.50 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2nux h ILE 239 CO -0.24 0.18 -0.32 0.28 0.00 0.00 0.00 178.15 178.05 2nux h SER 240 N 0.97 0.57 -0.33 1.72 0.02 -1.76 -3.01 113.55 111.72 2nux h SER 240 Ca 0.29 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2nux h SER 240 Cb -0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2nux h SER 240 CO -0.09 0.86 -0.04 0.00 -1.14 0.00 0.00 176.83 176.41 2nux h ALA 241 N 1.18 0.45 -1.06 3.77 0.00 0.15 -3.15 119.26 120.60 2nux h ALA 241 Ca 0.06 -0.27 0.30 0.00 0.00 0.00 0.00 54.91 54.99 2nux h ALA 241 Cb 0.79 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 2nux h ALA 241 CO 0.06 0.26 0.65 0.82 0.00 0.00 0.00 179.25 181.04 2nux h ILE 242 N 0.41 0.41 -0.00 0.00 2.04 -0.91 -0.62 117.51 118.84 2nux h ILE 242 Ca 0.09 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2nux h ILE 242 Cb 0.52 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2nux h ILE 242 CO 0.03 0.07 0.00 1.88 0.00 0.00 0.00 178.15 180.13 2nux h TYR 243 N 0.38 0.00 -0.42 1.37 -1.99 -1.60 0.64 116.97 115.35 2nux h TYR 243 Ca 0.68 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.41 2nux h TYR 243 Cb 1.64 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.35 2nux h TYR 243 CO -0.01 0.02 0.27 0.28 -0.00 0.00 0.00 178.16 178.73 2nux h VAL 244 N -0.02 1.10 -0.04 -2.88 2.07 -1.27 -2.92 116.25 112.28 2nux h VAL 244 Ca 0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2nux h VAL 244 Cb 0.02 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2nux h VAL 244 CO -0.00 0.10 -0.32 -0.07 0.02 0.00 0.00 177.57 177.30 2nux h LEU 245 N 0.56 0.08 -0.18 2.57 3.38 -1.07 -1.64 115.31 119.01 2nux h LEU 245 Ca 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2nux h LEU 245 Cb -0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2nux h LEU 245 CO -0.04 0.40 0.09 0.58 0.09 0.00 0.00 178.44 179.56 2nux h VAL 246 N 0.07 1.12 -0.18 1.22 2.07 -0.68 0.11 116.25 119.98 2nux h VAL 246 Ca 0.01 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2nux h VAL 246 Cb 0.61 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2nux h VAL 246 CO 0.04 0.11 0.11 -1.13 0.02 0.00 0.00 177.57 176.73 2nux h ASN 247 N 0.17 0.18 -0.42 0.57 -0.73 -1.44 0.33 115.58 114.24 2nux h ASN 247 Ca 0.06 -0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.27 2nux h ASN 247 Cb 0.10 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.61 2nux h ASN 247 CO -0.01 0.13 0.20 -0.08 -0.37 0.00 0.00 177.43 177.30 2nux h GLU 248 N 0.22 0.38 0.09 6.67 4.57 -0.98 -1.17 114.58 124.37 2nux h GLU 248 Ca 0.07 -0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 57.90 2nux h GLU 248 Cb -0.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2nux h GLU 248 CO -0.03 0.25 -1.79 0.74 -1.18 0.00 0.00 179.01 177.01 2nux h PHE 249 N 0.40 0.33 0.00 0.92 -1.00 -0.66 -3.41 116.94 113.53 2nux h PHE 249 Ca 0.18 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.66 2nux h PHE 249 Cb 0.11 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2nux h PHE 249 CO -0.11 1.45 -1.97 1.04 -1.61 0.00 0.00 178.31 177.10 2nux n GLN 250 N -3.34 0.66 -0.25 1.51 1.13 0.11 -5.02 117.38 112.17 2nux n GLN 250 Ca -0.23 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 2nux n GLN 250 Cb 1.05 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.85 2nux n GLN 250 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nux n GLY 251 N 1.33 0.82 3.17 1.08 0.00 -0.44 -5.02 105.19 106.11 2nux n GLY 251 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2nux n GLY 251 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nux s TYR 252 N -2.11 0.99 -0.08 1.61 -0.85 -1.26 -5.03 117.35 110.61 2nux s TYR 252 Ca 0.00 -0.71 -0.28 0.00 -0.52 0.00 0.00 57.07 55.56 2nux s TYR 252 Cb 0.00 -0.55 -0.02 0.00 0.38 0.00 0.00 41.96 41.77 2nux s TYR 252 CO 0.00 -0.04 0.90 0.34 -1.52 0.00 0.00 175.55 175.23 2nux s ASP 253 N -2.55 7.16 -0.16 -0.18 2.15 -1.26 -3.69 116.67 118.15 2nux s ASP 253 Ca 0.06 1.42 0.16 0.00 0.43 0.00 0.00 52.55 54.62 2nux s ASP 253 Cb -0.01 -2.51 0.47 0.00 -0.30 0.00 0.00 42.92 40.57 2nux s ASP 253 CO -0.01 -0.32 1.36 1.33 -0.17 0.00 0.00 175.17 177.36 2nux n VAL 254 N 4.26 2.12 -4.66 1.11 0.24 -1.26 -4.85 118.33 115.29 2nux n VAL 254 Ca 0.05 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 2nux n VAL 254 Cb 0.50 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2nux n VAL 254 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nux n GLY 255 N -0.59 1.69 3.25 7.63 0.00 -1.26 -4.17 105.19 111.74 2nux n GLY 255 Ca 0.20 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 2nux n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nux s TYR 256 N 0.00 1.39 0.92 1.61 2.02 -0.17 -4.82 117.35 118.30 2nux s TYR 256 Ca 0.00 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 55.97 2nux s TYR 256 Cb 0.00 -0.72 0.14 0.00 -0.40 0.00 0.00 41.96 40.99 2nux s TYR 256 CO 0.00 0.15 1.17 -1.25 -1.57 0.00 0.00 175.55 174.06 2nux s PRO 257 N -2.98 1.09 -0.21 -1.71 0.04 -1.26 -1.67 135.00 128.29 2nux s PRO 257 Ca 0.12 0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.22 2nux s PRO 257 Cb -0.03 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2nux s PRO 257 CO 0.03 -2.20 -0.02 0.50 0.04 0.00 0.00 177.00 175.35 2nux s ARG 258 N -5.46 3.51 0.49 4.56 3.52 -1.21 -4.51 118.95 119.85 2nux s ARG 258 Ca 0.65 -0.57 -0.22 0.00 -0.13 0.00 0.00 55.73 55.47 2nux s ARG 258 Cb -0.12 -3.05 -0.08 0.00 -1.56 0.00 0.00 34.95 30.14 2nux s ARG 258 CO 0.52 -0.08 0.97 -0.35 -0.81 0.00 0.00 175.30 175.56 2nux n PRO 259 N 4.49 1.17 0.07 5.12 -0.04 -1.26 -2.30 135.00 142.25 2nux n PRO 259 Ca -0.18 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2nux n PRO 259 Cb 0.51 -2.08 0.22 0.00 -0.04 0.00 0.00 33.50 32.12 2nux n PRO 259 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2nux n PRO 260 N -0.26 0.05 -2.88 0.54 -0.04 -1.26 -4.94 135.00 126.21 2nux n PRO 260 Ca 0.11 0.51 -0.44 0.00 -0.04 0.00 0.00 63.50 63.64 2nux n PRO 260 Cb 0.43 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 2nux n PRO 260 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2nux s ILE 261 N -3.13 4.64 0.33 0.52 -1.09 -0.97 -5.00 121.20 116.49 2nux s ILE 261 Ca -0.01 -1.51 -0.28 0.00 -2.23 0.00 0.00 60.65 56.62 2nux s ILE 261 Cb 0.02 -4.82 -0.09 0.00 -1.58 0.00 0.00 42.46 35.99 2nux s ILE 261 CO 0.07 -1.56 1.14 -0.36 -1.23 0.00 0.00 174.94 173.00 2nux s PHE 262 N 2.93 3.35 0.53 3.97 0.40 -1.26 -3.32 117.98 124.58 2nux s PHE 262 Ca 0.35 1.62 -0.19 0.00 -0.60 0.00 0.00 56.93 58.10 2nux s PHE 262 Cb -0.04 -3.35 -0.06 0.00 0.51 0.00 0.00 43.02 40.07 2nux s PHE 262 CO -0.09 -0.93 1.09 -2.14 0.70 0.00 0.00 175.22 173.85 2nux s PRO 263 N -1.80 3.47 0.27 0.24 0.02 -1.26 -4.76 135.00 131.18 2nux s PRO 263 Ca 0.49 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 2nux s PRO 263 Cb -0.32 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.07 2nux s PRO 263 CO 0.41 -0.72 1.33 -0.51 -0.33 0.00 0.00 177.00 177.17 2nux s LEU 264 N -3.80 4.42 0.96 -5.54 1.02 -1.26 -5.00 118.68 109.49 2nux s LEU 264 Ca 0.70 2.56 -0.12 0.00 0.02 0.00 0.00 54.13 57.29 2nux s LEU 264 Cb -0.21 -3.63 0.17 0.00 0.02 0.00 0.00 46.19 42.54 2nux s LEU 264 CO 0.26 -0.55 1.09 0.42 0.02 0.00 0.00 176.35 177.59 2nux s THR 265 N -0.46 2.29 0.26 5.49 -4.23 -1.26 -4.72 115.64 113.01 2nux s THR 265 Ca 0.54 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2nux s THR 265 Cb -0.39 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.11 2nux s THR 265 CO 0.45 -0.12 1.79 0.44 -0.54 0.00 0.00 174.62 176.64 2nux h ASP 266 N -1.77 0.65 -0.14 3.99 3.32 -1.99 -0.39 116.42 120.08 2nux h ASP 266 Ca -0.53 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2nux h ASP 266 Cb 1.31 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 2nux h ASP 266 CO 0.56 0.33 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.08 2nux h GLU 267 N 0.74 0.26 -0.35 3.56 3.07 -2.00 -2.20 114.58 117.66 2nux h GLU 267 Ca 0.44 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.19 2nux h GLU 267 Cb 0.50 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2nux h GLU 267 CO -0.30 0.50 0.12 0.93 -1.40 0.00 0.00 179.01 178.86 2nux h GLU 268 N -0.01 0.49 -0.33 2.33 5.08 -1.81 -1.02 114.58 119.31 2nux h GLU 268 Ca 0.04 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2nux h GLU 268 Cb 0.38 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2nux h GLU 268 CO 0.01 0.43 -0.09 0.00 -1.00 0.00 0.00 179.01 178.36 2nux h ALA 269 N 1.64 0.46 -0.49 3.43 0.00 -0.84 0.28 119.26 123.74 2nux h ALA 269 Ca 0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2nux h ALA 269 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2nux h ALA 269 CO -0.01 0.30 0.09 -0.07 0.00 0.00 0.00 179.25 179.57 2nux h LEU 270 N 0.42 0.76 -0.15 0.00 4.07 -1.11 -0.92 115.31 118.39 2nux h LEU 270 Ca 0.08 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 57.83 2nux h LEU 270 Cb 0.59 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 2nux h LEU 270 CO 0.03 0.82 -0.06 -1.28 -1.08 0.00 0.00 178.44 176.87 2nux h SER 271 N 0.67 -0.20 -0.17 -0.43 0.87 -1.04 -0.77 113.55 112.48 2nux h SER 271 Ca 0.15 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 2nux h SER 271 Cb 0.37 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2nux h SER 271 CO 0.01 -0.08 -0.10 0.25 -0.53 0.00 0.00 176.83 176.38 2nux h LEU 272 N -0.03 -0.32 -1.30 2.23 5.85 -0.77 -1.88 115.31 119.08 2nux h LEU 272 Ca 0.08 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2nux h LEU 272 Cb 0.15 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2nux h LEU 272 CO -0.18 -0.13 0.50 0.11 -0.34 0.00 0.00 178.44 178.41 2nux h LYS 273 N -0.09 0.85 -0.17 1.25 1.57 -0.84 -1.98 116.57 117.16 2nux h LYS 273 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2nux h LYS 273 Cb 0.23 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2nux h LYS 273 CO -0.22 0.56 -0.10 0.00 -0.57 0.00 0.00 179.45 179.12 2nux h ARG 274 N 0.87 0.36 -0.69 3.15 3.08 -0.65 -2.60 114.38 117.90 2nux h ARG 274 Ca 0.32 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 60.27 2nux h ARG 274 Cb 0.15 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 2nux h ARG 274 CO -0.10 0.68 0.38 0.93 -1.07 0.00 0.00 179.97 180.80 2nux h GLU 275 N 0.03 0.68 -0.00 0.04 5.08 -0.88 -2.26 114.58 117.27 2nux h GLU 275 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2nux h GLU 275 Cb 0.59 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2nux h GLU 275 CO 0.03 0.45 -0.05 0.44 -1.00 0.00 0.00 179.01 178.88 2nux n ILE 276 N -4.78 0.00 -0.01 3.13 -5.35 -0.79 -4.29 119.36 107.28 2nux n ILE 276 Ca 0.09 -0.03 -0.09 0.00 -0.27 0.00 0.00 62.75 62.45 2nux n ILE 276 Cb 0.18 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 37.75 2nux n ILE 276 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2nux h GLU 277 N 0.29 -0.13 -0.84 6.28 4.57 -0.99 0.15 114.58 123.92 2nux h GLU 277 Ca 0.00 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2nux h GLU 277 Cb 0.28 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 2nux h GLU 277 CO 0.00 -0.08 0.56 -1.35 -1.18 0.00 0.00 179.01 176.95 2nux h PRO 278 N -0.13 1.10 -0.28 0.92 0.11 -1.78 -1.75 132.00 130.19 2nux h PRO 278 Ca 0.09 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 2nux h PRO 278 Cb 0.26 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2nux h PRO 278 CO -0.22 0.73 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.81 2nux h LEU 279 N 1.13 0.73 -0.61 2.35 3.38 -1.68 -2.64 115.31 117.98 2nux h LEU 279 Ca 0.31 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2nux h LEU 279 Cb -0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2nux h LEU 279 CO -0.07 1.05 0.21 0.50 0.09 0.00 0.00 178.44 180.22 2nux h LYS 280 N 0.55 0.94 -0.55 1.13 3.64 -0.10 -0.81 116.57 121.36 2nux h LYS 280 Ca 0.04 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2nux h LYS 280 Cb 0.96 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2nux h LYS 280 CO 0.09 0.82 -0.07 0.00 -2.27 0.00 0.00 179.45 178.02 2nux h ARG 281 N 0.86 1.01 -0.37 1.90 3.08 -1.28 0.58 114.38 120.16 2nux h ARG 281 Ca 0.20 -0.35 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 2nux h ARG 281 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2nux h ARG 281 CO -0.01 1.03 -0.20 0.87 -1.07 0.00 0.00 179.97 180.59 2nux h LYS 282 N 0.91 0.70 0.29 0.04 1.57 -1.30 -2.04 116.57 116.73 2nux h LYS 282 Ca 0.15 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2nux h LYS 282 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2nux h LYS 282 CO 0.04 0.85 -0.14 0.82 -0.57 0.00 0.00 179.45 180.45 2nux h ILE 283 N 0.62 0.72 0.00 1.86 2.04 -0.90 -2.85 117.51 119.00 2nux h ILE 283 Ca 0.09 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2nux h ILE 283 Cb 0.67 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2nux h ILE 283 CO 0.05 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.32 2nux n GLN 284 N -5.11 0.14 0.06 2.37 6.02 0.17 -0.95 117.38 120.09 2nux n GLN 284 Ca -0.09 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2nux n GLN 284 Cb 0.26 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 2nux n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2nux n GLU 285 N -1.30 0.63 -0.01 -1.09 2.13 -0.77 -4.24 120.64 115.99 2nux n GLU 285 Ca 0.05 0.01 0.09 0.00 0.66 0.00 0.00 57.16 57.97 2nux n GLU 285 Cb 0.08 -1.72 -0.13 0.00 0.27 0.00 0.00 31.44 29.95 2nux n GLU 285 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2nux n LEU 286 N -2.54 0.18 -4.12 4.31 4.77 -0.12 -4.86 117.00 114.62 2nux n LEU 286 Ca -0.02 -0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.50 2nux n LEU 286 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 2nux n LEU 286 CO 0.42 0.05 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.54 2nux s VAL 287 N -3.09 2.87 0.00 4.08 1.01 -0.16 -5.10 120.40 120.00 2nux s VAL 287 Ca -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2nux s VAL 287 Cb 0.12 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2nux s VAL 287 CO 0.73 -0.39 0.00 1.57 0.00 0.00 0.00 175.10 177.01