#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n28 h ASP 4 N 0.00 0.85 -1.05 -1.43 3.32 -1.97 -2.56 116.42 113.58 3n28 h ASP 4 Ca 0.00 -0.11 -0.52 0.00 0.02 0.00 0.00 57.03 56.41 3n28 h ASP 4 Cb 0.00 -0.22 -0.17 0.00 0.22 0.00 0.00 39.33 39.17 3n28 h ASP 4 CO 0.00 0.72 0.64 0.00 -1.72 0.00 0.00 179.24 178.88 3n28 n ALA 5 N -2.35 6.50 -0.42 3.45 0.00 -1.26 -2.42 120.51 124.01 3n28 n ALA 5 Ca 0.05 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.33 3n28 n ALA 5 Cb 0.11 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3n28 n ALA 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3n28 n LEU 6 N 1.03 0.34 -4.29 0.00 7.94 -0.96 -4.77 117.00 116.29 3n28 n LEU 6 Ca 0.51 -0.40 -0.40 0.00 -1.11 0.00 0.00 56.01 54.61 3n28 n LEU 6 Cb 0.52 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.37 3n28 n LEU 6 CO 0.37 0.09 -0.12 -0.89 -1.11 0.00 0.00 177.39 175.72 3n28 s THR 7 N -0.10 4.29 0.79 1.96 2.01 -1.02 -5.06 115.64 118.52 3n28 s THR 7 Ca 0.00 -1.26 -0.10 0.00 0.31 0.00 0.00 61.69 60.64 3n28 s THR 7 Cb 0.00 -3.56 0.10 0.00 0.01 0.00 0.00 72.50 69.05 3n28 s THR 7 CO 0.00 -0.43 1.13 0.42 -0.69 0.00 0.00 174.62 175.05 3n28 s THR 8 N 1.46 2.12 -0.42 -0.82 -4.23 -1.26 -4.21 115.64 108.27 3n28 s THR 8 Ca 0.02 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 3n28 s THR 8 Cb -0.22 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.69 3n28 s THR 8 CO 0.03 0.00 0.32 -0.76 -0.54 0.00 0.00 174.62 173.67 3n28 s LEU 9 N -5.48 5.20 0.19 4.79 1.43 -1.26 -4.95 118.68 118.60 3n28 s LEU 9 Ca 0.64 -0.98 -0.32 0.00 -1.03 0.00 0.00 54.13 52.45 3n28 s LEU 9 Cb -0.09 -2.17 -0.12 0.00 0.03 0.00 0.00 46.19 43.85 3n28 s LEU 9 CO 0.48 -0.49 1.74 -2.84 0.23 0.00 0.00 176.35 175.47 3n28 s PRO 10 N 1.68 4.13 -0.45 1.29 0.02 -1.26 -4.40 135.00 136.00 3n28 s PRO 10 Ca 0.05 2.61 -0.09 0.00 0.02 0.00 0.00 61.00 63.59 3n28 s PRO 10 Cb -0.20 -3.16 0.11 0.00 0.02 0.00 0.00 34.50 31.27 3n28 s PRO 10 CO 0.09 -0.77 0.32 0.42 -0.33 0.00 0.00 177.00 176.73 3n28 s ILE 11 N 1.43 4.22 0.01 2.83 1.01 -1.26 -0.91 121.20 128.53 3n28 s ILE 11 Ca 0.76 -1.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 3n28 s ILE 11 Cb -0.49 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3n28 s ILE 11 CO 0.33 -0.69 0.06 -1.59 0.00 0.00 0.00 174.94 173.05 3n28 s LYS 12 N 1.38 0.38 0.09 2.79 -2.85 -0.68 -4.97 119.74 115.88 3n28 s LYS 12 Ca 0.05 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 3n28 s LYS 12 Cb -0.25 0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.62 3n28 s LYS 12 CO 0.00 -0.08 0.98 0.15 0.10 0.00 0.00 175.35 176.50 3n28 s LYS 13 N -1.31 4.65 -0.16 1.78 -0.14 -1.26 -0.63 119.74 122.68 3n28 s LYS 13 Ca -0.14 1.47 0.01 0.00 -1.36 0.00 0.00 55.97 55.94 3n28 s LYS 13 Cb -0.08 -3.39 0.02 0.00 -1.68 0.00 0.00 37.83 32.70 3n28 s LYS 13 CO 0.00 0.13 -0.18 -1.01 -0.76 0.00 0.00 175.35 173.54 3n28 s HIS 14 N 0.25 2.54 0.34 3.18 3.76 -1.26 -4.97 115.29 119.14 3n28 s HIS 14 Ca 0.49 -1.46 0.06 0.00 -0.15 0.00 0.00 55.06 53.99 3n28 s HIS 14 Cb -0.23 -1.79 0.63 0.00 1.11 0.00 0.00 32.58 32.30 3n28 s HIS 14 CO 0.30 -0.74 1.86 1.79 -0.85 0.00 0.00 174.74 177.10 3n28 h THR 15 N 5.97 1.21 -0.45 1.30 1.35 -1.97 -2.36 112.91 117.96 3n28 h THR 15 Ca -0.42 -0.89 0.05 0.00 -0.55 0.00 0.00 66.41 64.60 3n28 h THR 15 Cb 1.14 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 3n28 h THR 15 CO 0.59 0.29 0.30 0.00 -0.25 0.00 0.00 175.52 176.45 3n28 h ALA 16 N 1.51 1.91 -0.11 6.62 0.00 -1.98 0.31 119.26 127.53 3n28 h ALA 16 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3n28 h ALA 16 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3n28 h ALA 16 CO 0.02 0.01 -0.09 1.25 0.00 0.00 0.00 179.25 180.44 3n28 h LEU 17 N 0.40 0.27 -0.17 0.00 5.85 -1.85 -2.71 115.31 117.10 3n28 h LEU 17 Ca 0.19 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.48 3n28 h LEU 17 Cb 0.26 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3n28 h LEU 17 CO -0.05 0.68 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.61 3n28 h LEU 18 N -0.13 -0.21 -1.34 2.25 3.38 -1.34 -2.53 115.31 115.39 3n28 h LEU 18 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3n28 h LEU 18 Cb 0.60 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3n28 h LEU 18 CO 0.02 -0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.06 3n28 n ASN 19 N -5.21 0.52 0.26 -0.43 3.02 0.06 -0.90 115.26 112.59 3n28 n ASN 19 Ca -0.03 0.75 0.14 0.00 -0.03 0.00 0.00 54.58 55.41 3n28 n ASN 19 Cb 0.13 -0.81 0.68 0.00 -0.61 0.00 0.00 39.78 39.17 3n28 n ASN 19 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3n28 h ARG 20 N 0.00 0.00 -6.41 3.52 2.43 -1.12 -3.44 114.38 109.36 3n28 h ARG 20 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 3n28 h ARG 20 Cb 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 3n28 h ARG 20 CO 0.00 0.10 -0.69 -0.06 -1.51 0.00 0.00 179.97 177.82 3n28 s PHE 21 N -3.86 2.86 0.67 2.20 0.08 -0.08 -4.76 117.98 115.09 3n28 s PHE 21 Ca -0.01 -0.11 -0.17 0.00 0.12 0.00 0.00 56.93 56.77 3n28 s PHE 21 Cb 0.11 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3n28 s PHE 21 CO 0.57 0.48 0.91 -2.30 -0.10 0.00 0.00 175.22 174.78 3n28 n PRO 22 N 0.37 0.65 0.22 0.24 -0.02 -1.26 -4.87 135.00 130.33 3n28 n PRO 22 Ca -0.11 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.72 3n28 n PRO 22 Cb 0.53 -2.15 0.53 0.00 -0.02 0.00 0.00 33.50 32.39 3n28 n PRO 22 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n28 h GLU 23 N 0.05 0.00 0.00 -0.52 4.81 -1.96 -2.55 114.58 114.42 3n28 h GLU 23 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3n28 h GLU 23 Cb 1.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 3n28 h GLU 23 CO 0.48 0.24 -0.03 1.79 -0.73 0.00 0.00 179.01 180.76 3n28 h THR 24 N 0.00 0.16 0.00 0.32 1.35 -2.02 -2.09 112.91 110.63 3n28 h THR 24 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3n28 h THR 24 Cb 0.53 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3n28 h THR 24 CO 0.03 0.03 0.00 -0.09 -0.25 0.00 0.00 175.52 175.24 3n28 h ARG 25 N 0.00 0.00 -6.00 4.72 9.65 -1.81 -3.43 114.38 117.51 3n28 h ARG 25 Ca -0.00 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.25 3n28 h ARG 25 Cb 0.23 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 3n28 h ARG 25 CO 0.00 0.00 -0.54 -0.06 2.80 0.00 0.00 179.97 182.17 3n28 s PHE 26 N -3.64 3.39 0.14 2.20 0.08 -0.79 -1.41 117.98 117.96 3n28 s PHE 26 Ca 0.01 0.20 0.06 0.00 0.12 0.00 0.00 56.93 57.32 3n28 s PHE 26 Cb 0.09 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3n28 s PHE 26 CO 0.46 0.57 -0.14 0.14 -0.10 0.00 0.00 175.22 176.14 3n28 s VAL 27 N -1.41 1.45 0.00 -0.44 -7.23 -1.00 -4.89 120.40 106.89 3n28 s VAL 27 Ca 0.31 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3n28 s VAL 27 Cb -0.13 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.11 3n28 s VAL 27 CO 0.23 -0.47 0.14 0.35 -0.31 0.00 0.00 175.10 175.05 3n28 n THR 28 N 0.27 0.00 -0.05 5.32 -2.24 -1.26 -4.52 114.28 111.80 3n28 n THR 28 Ca -0.13 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3n28 n THR 28 Cb 0.58 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.83 3n28 n THR 28 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3n28 h GLN 29 N 0.00 0.28 -6.85 -0.78 1.08 -1.99 -3.45 115.11 103.40 3n28 h GLN 29 Ca 0.00 -0.15 -0.51 0.00 -1.45 0.00 0.00 58.65 56.54 3n28 h GLN 29 Cb 0.05 0.01 0.04 0.00 -0.05 0.00 0.00 27.48 27.52 3n28 h GLN 29 CO 0.00 0.70 0.53 -0.51 -0.95 0.00 0.00 178.83 178.59 3n28 s LEU 30 N -9.11 4.45 0.02 1.46 2.01 -1.26 -4.97 118.68 111.27 3n28 s LEU 30 Ca -0.15 2.40 -0.30 0.00 0.01 0.00 0.00 54.13 56.10 3n28 s LEU 30 Cb 0.04 -3.71 -0.05 0.00 0.01 0.00 0.00 46.19 42.49 3n28 s LEU 30 CO 0.74 -0.35 1.17 0.00 1.01 0.00 0.00 176.35 178.92 3n28 s ALA 31 N -1.21 3.40 0.28 4.21 0.00 -1.26 -4.91 121.76 122.26 3n28 s ALA 31 Ca 0.48 0.74 0.02 0.00 0.00 0.00 0.00 51.96 53.20 3n28 s ALA 31 Cb -0.34 -3.46 0.62 0.00 0.00 0.00 0.00 23.12 19.94 3n28 s ALA 31 CO 0.44 -0.51 1.79 0.87 0.00 0.00 0.00 175.76 178.34 3n28 h LYS 32 N 7.01 0.76 0.00 0.00 1.57 -1.93 -1.19 116.57 122.78 3n28 h LYS 32 Ca -0.39 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3n28 h LYS 32 Cb 1.20 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3n28 h LYS 32 CO 0.83 0.50 0.00 0.36 -0.57 0.00 0.00 179.45 180.57 3n28 n LYS 33 N -4.76 0.10 0.00 3.15 2.85 -1.22 -1.65 118.16 116.62 3n28 n LYS 33 Ca 0.20 0.40 0.08 0.00 -1.05 0.00 0.00 58.31 57.94 3n28 n LYS 33 Cb 0.46 -1.71 -0.00 0.00 -0.65 0.00 0.00 35.03 33.13 3n28 n LYS 33 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3n28 n ARG 34 N -1.90 1.61 -1.90 -1.58 1.74 -0.46 -4.98 116.66 109.19 3n28 n ARG 34 Ca 0.02 -0.82 -0.39 0.00 -0.77 0.00 0.00 57.85 55.88 3n28 n ARG 34 Cb 0.16 -1.30 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 3n28 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n28 s ALA 35 N -2.00 3.19 -0.29 7.54 0.00 -0.66 -4.95 121.76 124.60 3n28 s ALA 35 Ca 0.14 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.55 3n28 s ALA 35 Cb 0.14 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 3n28 s ALA 35 CO 0.44 -1.07 0.33 -1.13 0.00 0.00 0.00 175.76 174.32 3n28 n SER 36 N -0.19 1.26 -3.75 0.00 3.41 -1.26 -4.90 113.62 108.20 3n28 n SER 36 Ca 0.05 -0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 58.10 3n28 n SER 36 Cb 0.43 1.15 -0.05 0.00 -0.26 0.00 0.00 64.21 65.47 3n28 n SER 36 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3n28 s TRP 37 N -2.14 -0.02 0.14 7.33 1.48 -1.26 -1.30 118.94 123.17 3n28 s TRP 37 Ca 0.01 -0.34 0.06 0.00 -1.06 0.00 0.00 56.10 54.78 3n28 s TRP 37 Cb 0.07 0.15 -0.04 0.00 -1.16 0.00 0.00 33.47 32.48 3n28 s TRP 37 CO 0.38 -0.68 -0.14 0.96 -4.06 0.00 0.00 176.95 173.41 3n28 s ILE 38 N -3.85 1.39 0.00 0.66 -4.36 -0.23 -0.70 121.20 114.11 3n28 s ILE 38 Ca 0.06 -1.82 0.06 0.00 -0.26 0.00 0.00 60.65 58.68 3n28 s ILE 38 Cb 0.03 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 3n28 s ILE 38 CO -0.09 -0.47 -0.17 -0.69 0.24 0.00 0.00 174.94 173.76 3n28 s VAL 39 N -2.36 2.81 -0.04 8.37 1.01 -0.50 -1.72 120.40 127.97 3n28 s VAL 39 Ca 0.12 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 3n28 s VAL 39 Cb -0.04 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3n28 s VAL 39 CO 0.03 0.45 0.46 0.72 0.00 0.00 0.00 175.10 176.77 3n28 s PHE 40 N -0.83 -0.39 0.10 5.22 -0.12 -0.58 -0.80 117.98 120.59 3n28 s PHE 40 Ca 0.13 0.65 -0.26 0.00 -0.05 0.00 0.00 56.93 57.41 3n28 s PHE 40 Cb -0.10 0.22 0.09 0.00 -0.63 0.00 0.00 43.02 42.60 3n28 s PHE 40 CO 0.03 -0.47 1.10 0.20 -0.05 0.00 0.00 175.22 176.03 3n28 s GLY 41 N -1.21 -0.16 0.40 1.99 0.00 -1.03 -1.43 107.32 105.89 3n28 s GLY 41 Ca -0.12 0.11 0.10 0.00 0.00 0.00 0.00 44.72 44.81 3n28 s GLY 41 CO 0.06 1.41 1.93 1.12 0.00 0.00 0.00 173.10 177.62 3n28 h HIS 42 N 2.00 0.20 -1.97 1.90 2.07 -1.87 -0.71 115.15 116.77 3n28 h HIS 42 Ca -0.27 -0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.03 3n28 h HIS 42 Cb 1.21 -0.06 -0.31 0.00 2.57 0.00 0.00 27.41 30.83 3n28 h HIS 42 CO 0.79 0.33 -0.53 -0.47 -3.07 0.00 0.00 177.93 174.98 3n28 s TYR 43 N -4.71 -0.74 -0.11 6.12 5.04 -1.26 -4.38 117.35 117.31 3n28 s TYR 43 Ca -0.05 0.53 -0.16 0.00 -2.44 0.00 0.00 57.07 54.94 3n28 s TYR 43 Cb 0.15 -0.13 -0.05 0.00 0.35 0.00 0.00 41.96 42.29 3n28 s TYR 43 CO 0.73 -0.78 0.41 -0.51 -1.34 0.00 0.00 175.55 174.06 3n28 s LEU 44 N 2.49 4.31 0.10 6.97 1.43 -1.26 -5.08 118.68 127.63 3n28 s LEU 44 Ca 0.11 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 54.02 3n28 s LEU 44 Cb -0.15 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3n28 s LEU 44 CO -0.20 0.09 -0.13 0.42 0.23 0.00 0.00 176.35 176.76 3n28 s THR 45 N 0.25 1.15 0.27 5.49 -4.23 -1.26 -5.03 115.64 112.28 3n28 s THR 45 Ca 0.23 -1.53 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3n28 s THR 45 Cb -0.15 -1.30 0.26 0.00 1.34 0.00 0.00 72.50 72.65 3n28 s THR 45 CO 0.09 -0.37 1.71 -0.65 -0.54 0.00 0.00 174.62 174.85 3n28 h PRO 46 N 3.84 0.39 -0.95 3.99 0.11 -1.98 -1.76 132.00 135.63 3n28 h PRO 46 Ca -0.40 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.82 3n28 h PRO 46 Cb 1.19 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 3n28 h PRO 46 CO 0.47 0.26 0.58 0.00 -0.21 0.00 0.00 178.00 179.10 3n28 h ALA 47 N 1.64 1.44 -0.51 -0.75 0.00 -1.98 -0.20 119.26 118.91 3n28 h ALA 47 Ca 0.49 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.33 3n28 h ALA 47 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3n28 h ALA 47 CO -0.48 0.14 -0.11 1.96 0.00 0.00 0.00 179.25 180.76 3n28 h GLN 48 N 0.90 0.94 0.00 0.00 4.20 -1.74 -2.49 115.11 116.92 3n28 h GLN 48 Ca 0.48 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 3n28 h GLN 48 Cb 0.52 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3n28 h GLN 48 CO -0.28 0.99 -0.34 0.74 -0.67 0.00 0.00 178.83 179.27 3n28 h PHE 49 N 0.84 0.00 -0.02 2.96 0.04 -0.99 -1.19 116.94 118.58 3n28 h PHE 49 Ca 0.13 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.74 3n28 h PHE 49 Cb 0.65 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 3n28 h PHE 49 CO 0.04 0.34 -0.74 0.93 -0.60 0.00 0.00 178.31 178.28 3n28 h GLU 50 N 0.00 0.16 -0.44 1.51 5.08 -0.85 0.80 114.58 120.83 3n28 h GLU 50 Ca -0.00 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3n28 h GLU 50 Cb 0.82 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3n28 h GLU 50 CO 0.04 0.83 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.32 3n28 h ASP 51 N 0.10 0.88 -0.52 1.42 3.32 -1.10 -1.45 116.42 119.08 3n28 h ASP 51 Ca -0.02 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3n28 h ASP 51 Cb 1.31 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3n28 h ASP 51 CO 0.11 1.05 0.23 -0.03 -1.72 0.00 0.00 179.24 178.88 3n28 h MET 52 N 0.70 0.75 -0.19 3.56 4.05 -1.07 -2.45 114.93 120.29 3n28 h MET 52 Ca 0.11 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3n28 h MET 52 Cb 0.67 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 3n28 h MET 52 CO 0.05 0.64 0.12 -0.44 0.23 0.00 0.00 176.91 177.51 3n28 h ASP 53 N 0.69 0.23 -0.65 1.39 3.32 -0.78 -1.49 116.42 119.13 3n28 h ASP 53 Ca 0.18 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3n28 h ASP 53 Cb 0.15 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3n28 h ASP 53 CO -0.02 0.20 0.41 0.15 -1.72 0.00 0.00 179.24 178.26 3n28 h PHE 54 N 0.24 0.76 0.00 4.55 3.57 -1.16 0.14 116.94 125.05 3n28 h PHE 54 Ca 0.07 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.37 3n28 h PHE 54 Cb 0.01 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3n28 h PHE 54 CO -0.05 0.44 -0.94 0.35 -2.23 0.00 0.00 178.31 175.88 3n28 h PHE 55 N 0.80 0.57 -0.02 0.41 3.57 -1.29 -3.14 116.94 117.84 3n28 h PHE 55 Ca 0.26 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3n28 h PHE 55 Cb 0.01 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3n28 h PHE 55 CO -0.05 1.13 -0.00 0.25 -2.23 0.00 0.00 178.31 177.41 3n28 n THR 56 N -3.73 0.00 -3.24 4.41 -2.24 -0.57 -4.95 114.28 103.96 3n28 n THR 56 Ca -0.06 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.23 3n28 n THR 56 Cb 0.83 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 69.63 3n28 n THR 56 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3n28 n ASN 57 N 0.20 -5.56 -3.46 3.42 4.13 0.01 -4.97 115.26 109.04 3n28 n ASN 57 Ca 0.19 -0.38 -0.13 0.00 1.68 0.00 0.00 54.58 55.94 3n28 n ASN 57 Cb 0.36 -4.48 -0.03 0.00 -1.54 0.00 0.00 39.78 34.09 3n28 n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3n28 s ARG 58 N -5.93 1.22 -0.40 3.52 1.70 -1.03 -5.06 118.95 112.97 3n28 s ARG 58 Ca 0.39 -0.38 -0.26 0.00 -0.47 0.00 0.00 55.73 55.01 3n28 s ARG 58 Cb -0.18 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3n28 s ARG 58 CO 0.48 -0.51 0.93 0.12 -1.08 0.00 0.00 175.30 175.25 3n28 s PHE 59 N -3.35 3.03 -0.59 5.89 5.36 -1.26 -4.29 117.98 122.77 3n28 s PHE 59 Ca -0.01 0.66 -0.23 0.00 -0.96 0.00 0.00 56.93 56.39 3n28 s PHE 59 Cb -0.01 -3.76 0.06 0.00 -0.34 0.00 0.00 43.02 38.97 3n28 s PHE 59 CO -0.09 -0.92 0.90 -0.80 -1.46 0.00 0.00 175.22 172.85 3n28 s ASN 60 N 2.01 6.25 0.38 6.13 0.01 -1.26 -5.03 114.94 123.43 3n28 s ASN 60 Ca 0.38 -0.74 -0.17 0.00 -0.71 0.00 0.00 52.86 51.62 3n28 s ASN 60 Cb -0.11 -2.40 -0.10 0.00 0.41 0.00 0.00 41.25 39.05 3n28 s ASN 60 CO 0.21 -1.26 0.84 0.00 -1.51 0.00 0.00 177.10 175.38 3n28 s ALA 61 N 3.76 3.19 -0.17 0.60 0.00 -1.26 -4.94 121.76 122.94 3n28 s ALA 61 Ca 0.24 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 3n28 s ALA 61 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3n28 s ALA 61 CO 0.14 0.20 0.01 0.42 0.00 0.00 0.00 175.76 176.53 3n28 s ILE 62 N -2.12 4.32 0.09 0.00 1.01 -0.50 -1.27 121.20 122.74 3n28 s ILE 62 Ca 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 3n28 s ILE 62 Cb -0.10 -2.92 -0.25 0.00 0.01 0.00 0.00 42.46 39.20 3n28 s ILE 62 CO 0.17 0.48 1.19 -0.07 0.00 0.00 0.00 174.94 176.71 3n28 h LEU 63 N 6.65 0.31 -7.00 2.97 4.07 -1.19 -2.66 115.31 118.47 3n28 h LEU 63 Ca -0.34 -0.33 0.09 0.00 0.08 0.00 0.00 57.88 57.38 3n28 h LEU 63 Cb 1.18 -0.10 -0.24 0.00 1.08 0.00 0.00 40.66 42.57 3n28 h LEU 63 CO 0.66 1.24 0.57 -0.62 -1.08 0.00 0.00 178.44 179.22 3n28 s ASP 64 N -7.03 -0.35 0.01 -0.43 2.15 -1.23 -4.82 116.67 104.98 3n28 s ASP 64 Ca -0.03 0.47 0.04 0.00 0.43 0.00 0.00 52.55 53.46 3n28 s ASP 64 Cb 0.08 0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 43.09 3n28 s ASP 64 CO 0.86 -0.26 -0.12 -0.04 -0.17 0.00 0.00 175.17 175.44 3n28 s MET 65 N -0.75 0.92 0.34 4.34 -1.94 -1.26 0.02 119.30 120.97 3n28 s MET 65 Ca 0.01 -0.56 -0.05 0.00 -1.71 0.00 0.00 55.69 53.37 3n28 s MET 65 Cb -0.02 -0.89 0.01 0.00 2.01 0.00 0.00 34.83 35.94 3n28 s MET 65 CO -0.02 0.23 0.51 1.67 -0.01 0.00 0.00 175.02 177.41 3n28 s TRP 66 N -0.55 0.88 -0.02 -0.03 -2.14 -0.58 -4.67 118.94 111.83 3n28 s TRP 66 Ca 0.03 -1.18 0.04 0.00 2.66 0.00 0.00 56.10 57.65 3n28 s TRP 66 Cb -0.06 0.06 -0.03 0.00 -3.10 0.00 0.00 33.47 30.34 3n28 s TRP 66 CO 0.00 -1.18 -0.14 0.15 -2.66 0.00 0.00 176.95 173.13 3n28 s LYS 67 N -3.05 2.40 -0.28 3.25 1.02 0.20 -0.52 119.74 122.76 3n28 s LYS 67 Ca 0.28 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.50 3n28 s LYS 67 Cb -0.01 -2.35 0.08 0.00 -0.52 0.00 0.00 37.83 35.03 3n28 s LYS 67 CO 0.18 0.60 0.05 0.08 -0.92 0.00 0.00 175.35 175.33 3n28 s VAL 68 N -0.84 1.20 0.00 3.17 1.01 -0.11 -1.68 120.40 123.15 3n28 s VAL 68 Ca 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3n28 s VAL 68 Cb -0.11 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3n28 s VAL 68 CO 0.03 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.28 3n28 n GLY 69 N 4.74 3.37 0.04 4.51 0.00 -0.09 -0.50 105.19 117.26 3n28 n GLY 69 Ca -0.04 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.08 3n28 n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n28 n ARG 70 N 14.00 0.78 -3.27 1.61 1.85 -1.26 -4.86 116.66 125.51 3n28 n ARG 70 Ca 0.00 -0.08 -0.33 0.00 -1.00 0.00 0.00 57.85 56.45 3n28 n ARG 70 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 3n28 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3n28 s TYR 71 N -2.27 3.42 -0.10 2.89 2.02 0.34 -4.58 117.35 119.07 3n28 s TYR 71 Ca 0.38 1.07 0.03 0.00 -0.37 0.00 0.00 57.07 58.18 3n28 s TYR 71 Cb 0.21 -2.41 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 3n28 s TYR 71 CO 0.42 0.19 -0.19 -1.21 -1.57 0.00 0.00 175.55 173.19 3n28 s GLU 72 N -2.82 3.10 -0.03 -0.62 2.02 -0.27 -0.94 118.70 119.14 3n28 s GLU 72 Ca 0.50 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.77 3n28 s GLU 72 Cb -0.11 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 3n28 s GLU 72 CO 0.19 0.24 -0.25 0.08 0.02 0.00 0.00 175.26 175.54 3n28 s VAL 73 N 0.23 2.02 -0.12 2.63 1.01 0.32 -2.46 120.40 124.03 3n28 s VAL 73 Ca -0.13 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.79 3n28 s VAL 73 Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3n28 s VAL 73 CO 0.07 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.58 3n28 s ALA 74 N -0.51 1.80 -0.15 5.51 0.00 0.02 -1.53 121.76 126.89 3n28 s ALA 74 Ca 0.07 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 3n28 s ALA 74 Cb -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3n28 s ALA 74 CO -0.00 -0.14 0.85 -1.17 0.00 0.00 0.00 175.76 175.31 3n28 s LEU 75 N 1.07 4.19 0.02 0.00 2.96 0.10 -1.42 118.68 125.62 3n28 s LEU 75 Ca -0.04 1.23 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 3n28 s LEU 75 Cb -0.15 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3n28 s LEU 75 CO -0.04 -0.39 0.11 -0.04 -1.32 0.00 0.00 176.35 174.67 3n28 s MET 76 N 2.07 3.12 0.74 1.98 -1.94 0.12 -0.78 119.30 124.61 3n28 s MET 76 Ca 0.40 -0.51 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 3n28 s MET 76 Cb -0.17 -2.88 0.03 0.00 2.01 0.00 0.00 34.83 33.82 3n28 s MET 76 CO 0.13 0.63 1.08 0.34 -0.01 0.00 0.00 175.02 177.18 3n28 s ASP 77 N -2.03 4.93 0.58 3.03 2.15 -0.40 -4.22 116.67 120.72 3n28 s ASP 77 Ca 0.27 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.93 3n28 s ASP 77 Cb -0.12 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3n28 s ASP 77 CO 0.18 -1.74 0.00 0.61 -0.17 0.00 0.00 175.17 174.05 3n28 n GLY 78 N -1.65 0.29 3.23 2.66 0.00 -1.26 -4.82 105.19 103.63 3n28 n GLY 78 Ca 0.08 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 3n28 n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3n28 s GLU 79 N 0.00 0.97 -0.45 1.61 -1.05 -1.26 -4.46 118.70 114.06 3n28 s GLU 79 Ca 0.00 -1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 53.43 3n28 s GLU 79 Cb 0.00 -1.00 0.01 0.00 -0.44 0.00 0.00 34.13 32.71 3n28 s GLU 79 CO 0.00 0.21 1.41 -1.17 0.95 0.00 0.00 175.26 176.66 3n28 s LEU 80 N -2.04 3.54 0.37 1.83 2.96 -1.26 -4.99 118.68 119.09 3n28 s LEU 80 Ca 0.04 0.68 0.07 0.00 -0.22 0.00 0.00 54.13 54.70 3n28 s LEU 80 Cb -0.08 -3.43 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 3n28 s LEU 80 CO 0.03 -1.50 0.52 0.42 -1.32 0.00 0.00 176.35 174.50 3n28 s THR 81 N 5.58 3.67 0.46 3.68 -4.23 -1.26 -4.98 115.64 118.55 3n28 s THR 81 Ca 0.59 -0.97 0.13 0.00 -1.18 0.00 0.00 61.69 60.25 3n28 s THR 81 Cb -0.13 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.68 3n28 s THR 81 CO 0.31 -0.10 2.05 0.77 -0.54 0.00 0.00 174.62 177.11 3n28 h SER 82 N 0.77 0.14 -0.60 3.99 4.64 -2.00 -0.42 113.55 120.08 3n28 h SER 82 Ca -0.44 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3n28 h SER 82 Cb 1.27 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3n28 h SER 82 CO 0.50 0.18 0.20 -0.33 -0.87 0.00 0.00 176.83 176.51 3n28 h GLU 83 N 0.16 0.97 -0.34 4.77 3.07 -1.96 -1.86 114.58 119.38 3n28 h GLU 83 Ca 0.04 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3n28 h GLU 83 Cb 0.13 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3n28 h GLU 83 CO 0.00 0.84 0.22 0.45 -1.40 0.00 0.00 179.01 179.12 3n28 h HIS 84 N 0.94 0.44 -0.88 4.33 3.86 -1.48 -2.30 115.15 120.06 3n28 h HIS 84 Ca 0.21 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 3n28 h HIS 84 Cb 0.27 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3n28 h HIS 84 CO 0.02 0.29 0.57 0.93 0.86 0.00 0.00 177.93 180.60 3n28 h GLU 85 N 0.46 1.09 0.35 2.45 5.08 -1.04 -0.12 114.58 122.86 3n28 h GLU 85 Ca 0.13 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3n28 h GLU 85 Cb -0.04 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3n28 h GLU 85 CO -0.03 0.72 -0.17 1.15 -1.00 0.00 0.00 179.01 179.69 3n28 h THR 86 N 1.12 0.67 -0.11 1.13 2.02 -1.10 -1.16 112.91 115.49 3n28 h THR 86 Ca 0.34 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 3n28 h THR 86 Cb -0.03 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3n28 h THR 86 CO -0.11 0.05 -0.22 -0.29 0.37 0.00 0.00 175.52 175.33 3n28 h ILE 87 N -0.60 1.21 -0.29 3.11 6.09 -1.24 -1.69 117.51 124.11 3n28 h ILE 87 Ca -0.05 -0.98 -0.17 0.00 -1.37 0.00 0.00 64.86 62.30 3n28 h ILE 87 Cb 0.44 1.37 -0.00 0.00 0.47 0.00 0.00 36.82 39.10 3n28 h ILE 87 CO 0.08 0.29 -0.48 -0.07 -3.07 0.00 0.00 178.15 174.91 3n28 h LEU 88 N 0.18 0.91 -0.51 2.19 3.38 -0.91 -1.47 115.31 119.07 3n28 h LEU 88 Ca 0.03 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.50 3n28 h LEU 88 Cb 0.49 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3n28 h LEU 88 CO 0.03 1.26 0.31 0.11 0.09 0.00 0.00 178.44 180.25 3n28 h LYS 89 N 0.60 0.60 -0.62 1.13 1.57 -1.03 0.19 116.57 119.00 3n28 h LYS 89 Ca 0.02 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3n28 h LYS 89 Cb 1.08 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 3n28 h LYS 89 CO 0.11 0.40 0.34 0.00 -0.57 0.00 0.00 179.45 179.73 3n28 h ALA 90 N 1.22 0.81 0.00 3.86 0.00 -1.18 -0.35 119.26 123.63 3n28 h ALA 90 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3n28 h ALA 90 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3n28 h ALA 90 CO -0.09 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3n28 n LEU 91 N -4.80 0.54 -3.46 0.00 4.77 -0.57 -4.90 117.00 108.58 3n28 n LEU 91 Ca 0.07 0.60 -0.20 0.00 -0.03 0.00 0.00 56.01 56.44 3n28 n LEU 91 Cb 0.15 -0.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 3n28 n LEU 91 CO 0.30 -0.35 0.18 -0.62 -1.33 0.00 0.00 177.39 175.57 3n28 n GLU 92 N -2.06 -7.20 -4.30 3.23 1.02 0.44 -5.02 120.64 106.75 3n28 n GLU 92 Ca 0.04 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.65 3n28 n GLU 92 Cb 0.29 -5.81 -0.09 0.00 -0.02 0.00 0.00 31.44 25.81 3n28 n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n28 s LEU 93 N -6.75 3.66 0.62 -4.62 1.43 0.02 -4.93 118.68 108.11 3n28 s LEU 93 Ca 0.30 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 3n28 s LEU 93 Cb -0.13 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3n28 s LEU 93 CO 0.71 0.36 1.00 -1.81 0.23 0.00 0.00 176.35 176.84 3n28 s ASP 94 N -1.07 5.85 0.19 2.29 1.01 -0.52 -4.33 116.67 120.10 3n28 s ASP 94 Ca 0.15 1.13 -0.19 0.00 0.71 0.00 0.00 52.55 54.35 3n28 s ASP 94 Cb -0.11 -2.12 0.04 0.00 1.01 0.00 0.00 42.92 41.73 3n28 s ASP 94 CO 0.05 -1.02 0.56 -0.72 0.21 0.00 0.00 175.17 174.24 3n28 s TYR 95 N -3.15 -0.25 -0.21 4.23 -0.85 -1.26 -1.53 117.35 114.33 3n28 s TYR 95 Ca 0.55 -0.07 -0.27 0.00 -0.52 0.00 0.00 57.07 56.75 3n28 s TYR 95 Cb -0.11 0.47 0.10 0.00 0.38 0.00 0.00 41.96 42.80 3n28 s TYR 95 CO 0.50 -0.92 0.89 0.00 -1.52 0.00 0.00 175.55 174.50 3n28 s ALA 96 N -3.84 -1.88 0.11 9.51 0.00 -0.70 -4.59 121.76 120.36 3n28 s ALA 96 Ca 0.07 1.74 -0.25 0.00 0.00 0.00 0.00 51.96 53.51 3n28 s ALA 96 Cb -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.09 3n28 s ALA 96 CO -0.05 -0.30 0.78 1.03 0.00 0.00 0.00 175.76 177.22 3n28 s ARG 97 N -0.31 4.54 -0.03 0.00 0.52 -1.26 -1.07 118.95 121.33 3n28 s ARG 97 Ca -0.01 1.13 0.13 0.00 -0.52 0.00 0.00 55.73 56.46 3n28 s ARG 97 Cb -0.03 -3.31 0.40 0.00 0.52 0.00 0.00 34.95 32.53 3n28 s ARG 97 CO 0.00 0.42 1.33 0.44 0.02 0.00 0.00 175.30 177.52 3n28 n ILE 98 N 2.20 1.21 -2.14 1.52 -5.35 -0.42 -4.90 119.36 111.49 3n28 n ILE 98 Ca -0.04 -1.12 -0.41 0.00 -0.27 0.00 0.00 62.75 60.91 3n28 n ILE 98 Cb 0.49 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.75 3n28 n ILE 98 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3n28 s GLN 99 N -1.28 4.36 0.00 6.28 0.74 -1.26 -2.80 119.66 125.70 3n28 s GLN 99 Ca 0.30 2.17 0.00 0.00 0.05 0.00 0.00 55.36 57.88 3n28 s GLN 99 Cb 0.18 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 31.17 3n28 s GLN 99 CO 0.17 -0.23 0.00 -0.25 -0.55 0.00 0.00 175.29 174.43 3n28 n ASP 100 N 1.62 -0.89 -4.68 6.67 8.00 -1.26 -4.98 116.55 121.03 3n28 n ASP 100 Ca 0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3n28 n ASP 100 Cb 0.42 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3n28 n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n28 s VAL 101 N -3.27 3.63 1.05 2.53 1.01 -1.12 -4.65 120.40 119.59 3n28 s VAL 101 Ca 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 3n28 s VAL 101 Cb 0.00 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.89 3n28 s VAL 101 CO 0.00 -0.02 0.62 -2.65 0.00 0.00 0.00 175.10 173.05 3n28 n PRO 102 N 5.65 -1.28 -3.64 2.72 -0.02 -1.26 -4.89 135.00 132.28 3n28 n PRO 102 Ca 0.14 -0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 60.89 3n28 n PRO 102 Cb 0.43 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 3n28 n PRO 102 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3n28 s ASP 103 N -2.20 5.61 0.61 2.55 -1.08 -1.26 -4.82 116.67 116.07 3n28 s ASP 103 Ca 0.62 -0.82 0.32 0.00 -0.52 0.00 0.00 52.55 52.15 3n28 s ASP 103 Cb -0.20 -2.00 1.88 0.00 -1.46 0.00 0.00 42.92 41.14 3n28 s ASP 103 CO 0.65 -0.30 2.21 -0.07 0.52 0.00 0.00 175.17 178.17 3n28 h LEU 104 N 8.38 0.00 -0.19 -1.34 3.38 -1.94 -2.51 115.31 121.09 3n28 h LEU 104 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3n28 h LEU 104 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3n28 h LEU 104 CO 0.64 0.00 -0.19 0.35 0.09 0.00 0.00 178.44 179.33 3n28 n THR 105 N -3.64 0.00 -4.12 0.22 -2.24 -1.26 -4.80 114.28 98.44 3n28 n THR 105 Ca -0.01 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 3n28 n THR 105 Cb 0.17 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3n28 n THR 105 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3n28 s LYS 106 N -2.66 2.71 0.24 -0.78 1.02 -0.95 -5.06 119.74 114.27 3n28 s LYS 106 Ca 0.22 -0.90 -0.31 0.00 0.02 0.00 0.00 55.97 55.01 3n28 s LYS 106 Cb 0.19 -2.57 -0.13 0.00 -0.52 0.00 0.00 37.83 34.80 3n28 s LYS 106 CO 0.53 0.50 1.37 -2.30 -0.92 0.00 0.00 175.35 174.53 3n28 n PRO 107 N -0.03 1.95 -4.02 -1.68 -0.02 -1.26 -4.88 135.00 125.07 3n28 n PRO 107 Ca -0.09 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3n28 n PRO 107 Cb 0.54 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3n28 n PRO 107 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3n28 s GLY 108 N 0.19 0.82 -0.07 -1.23 0.00 -1.26 -4.57 107.32 101.20 3n28 s GLY 108 Ca 0.67 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.26 3n28 s GLY 108 CO 0.51 -0.74 0.17 -2.27 0.00 0.00 0.00 173.10 170.77 3n28 s LEU 109 N -3.09 1.22 -0.04 0.66 2.96 -1.12 -1.55 118.68 117.74 3n28 s LEU 109 Ca 0.25 0.35 0.06 0.00 -0.22 0.00 0.00 54.13 54.57 3n28 s LEU 109 Cb -0.01 0.57 -0.01 0.00 0.50 0.00 0.00 46.19 47.25 3n28 s LEU 109 CO 0.12 -0.08 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.35 3n28 s ILE 110 N 0.28 1.73 -0.12 6.68 2.07 -0.62 -0.61 121.20 130.61 3n28 s ILE 110 Ca -0.02 -0.90 0.03 0.00 -1.41 0.00 0.00 60.65 58.35 3n28 s ILE 110 Cb -0.03 -1.46 0.01 0.00 0.13 0.00 0.00 42.46 41.11 3n28 s ILE 110 CO -0.01 0.49 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.61 3n28 s VAL 111 N -0.21 1.91 0.14 4.00 1.01 0.31 -1.30 120.40 126.26 3n28 s VAL 111 Ca 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.17 3n28 s VAL 111 Cb -0.11 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3n28 s VAL 111 CO 0.02 0.52 -0.22 -0.76 0.00 0.00 0.00 175.10 174.66 3n28 s LEU 112 N 0.68 2.36 -0.18 3.92 1.02 -0.22 -1.36 118.68 124.91 3n28 s LEU 112 Ca -0.11 -0.78 -0.18 0.00 0.02 0.00 0.00 54.13 53.08 3n28 s LEU 112 Cb -0.16 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 3n28 s LEU 112 CO 0.02 0.08 0.48 -0.62 0.02 0.00 0.00 176.35 176.33 3n28 s ASP 113 N -2.27 6.56 0.00 2.29 2.15 -1.14 -1.12 116.67 123.13 3n28 s ASP 113 Ca 0.13 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.78 3n28 s ASP 113 Cb -0.09 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3n28 s ASP 113 CO 0.06 -0.12 0.48 0.23 -0.17 0.00 0.00 175.17 175.65 3n28 n MET 114 N 4.50 0.71 0.00 4.34 2.81 -1.26 -4.79 117.12 123.43 3n28 n MET 114 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3n28 n MET 114 Cb 0.51 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 3n28 n MET 114 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3n28 n ASP 115 N 0.32 0.00 -4.76 7.83 9.92 -1.26 -5.00 116.55 123.60 3n28 n ASP 115 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 3n28 n ASP 115 Cb 0.24 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.73 3n28 n ASP 115 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3n28 n SER 116 N 0.00 3.40 0.26 -2.24 3.41 -1.26 -4.78 113.62 112.40 3n28 n SER 116 Ca 0.00 1.15 0.14 0.00 -0.26 0.00 0.00 58.87 59.90 3n28 n SER 116 Cb 0.00 -1.60 0.75 0.00 -0.26 0.00 0.00 64.21 63.10 3n28 n SER 116 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3n28 h THR 117 N 2.44 0.00 0.02 6.66 1.35 -1.98 0.53 112.91 121.93 3n28 h THR 117 Ca -0.51 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.09 3n28 h THR 117 Cb 1.26 0.61 0.02 0.00 -1.73 0.00 0.00 68.15 68.31 3n28 h THR 117 CO 0.62 0.00 -1.05 0.00 -0.25 0.00 0.00 175.52 174.84 3n28 h ALA 118 N 1.60 0.17 0.00 6.62 0.00 -1.99 -1.93 119.26 123.74 3n28 h ALA 118 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3n28 h ALA 118 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3n28 h ALA 118 CO 0.00 0.73 0.00 -0.89 0.00 0.00 0.00 179.25 179.09 3n28 n ILE 119 N -3.81 0.45 -0.02 0.00 5.41 0.17 -2.11 119.36 119.45 3n28 n ILE 119 Ca -0.10 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.59 3n28 n ILE 119 Cb 0.89 -0.68 -0.13 0.00 -0.71 0.00 0.00 39.64 39.01 3n28 n ILE 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3n28 n GLN 120 N -1.88 0.65 -0.13 0.38 6.02 -0.50 -2.86 117.38 119.06 3n28 n GLN 120 Ca 0.05 0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 56.98 3n28 n GLN 120 Cb 0.34 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 3n28 n GLN 120 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3n28 h ILE 121 N 0.00 1.28 -0.51 5.09 2.04 -1.21 -2.07 117.51 122.12 3n28 h ILE 121 Ca -0.24 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 3n28 h ILE 121 Cb 1.66 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 3n28 h ILE 121 CO 0.03 0.44 0.31 -0.08 0.00 0.00 0.00 178.15 178.85 3n28 h GLU 122 N 0.61 0.70 -0.09 2.37 4.22 -1.56 0.33 114.58 121.16 3n28 h GLU 122 Ca 0.09 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.49 3n28 h GLU 122 Cb 0.74 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3n28 h GLU 122 CO 0.06 0.51 -0.09 0.00 -2.18 0.00 0.00 179.01 177.30 3n28 h ILE 124 N -0.12 1.29 0.00 0.00 2.04 -1.28 -1.37 117.51 118.07 3n28 h ILE 124 Ca 0.07 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 3n28 h ILE 124 Cb 0.22 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3n28 h ILE 124 CO -0.16 0.47 -0.26 0.44 0.00 0.00 0.00 178.15 178.64 3n28 h ASP 125 N 0.44 0.00 0.50 1.72 3.32 -0.62 -0.48 116.42 121.30 3n28 h ASP 125 Ca 0.05 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.80 3n28 h ASP 125 Cb 0.84 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.41 3n28 h ASP 125 CO 0.07 0.26 -1.32 -0.33 -1.72 0.00 0.00 179.24 176.20 3n28 h GLU 126 N 0.00 0.37 -0.65 3.56 4.39 -0.65 -1.05 114.58 120.55 3n28 h GLU 126 Ca -0.00 -0.62 -0.03 0.00 0.34 0.00 0.00 59.36 59.04 3n28 h GLU 126 Cb 0.48 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 3n28 h GLU 126 CO 0.03 1.30 0.28 0.82 -1.16 0.00 0.00 179.01 180.28 3n28 h ILE 127 N 0.10 1.23 -0.34 3.13 2.04 -1.06 -1.15 117.51 121.47 3n28 h ILE 127 Ca -0.18 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3n28 h ILE 127 Cb 2.04 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3n28 h ILE 127 CO 0.23 0.28 0.13 0.00 0.00 0.00 0.00 178.15 178.79 3n28 h ALA 128 N 1.12 0.44 -0.80 1.87 0.00 -1.07 0.12 119.26 120.94 3n28 h ALA 128 Ca 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3n28 h ALA 128 Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3n28 h ALA 128 CO -0.02 0.05 0.34 -0.22 0.00 0.00 0.00 179.25 179.40 3n28 h LYS 129 N 0.40 1.18 -0.35 0.00 3.11 -1.09 -0.66 116.57 119.16 3n28 h LYS 129 Ca 0.11 -0.20 -0.08 0.00 -2.81 0.00 0.00 60.65 57.67 3n28 h LYS 129 Cb 0.20 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 3n28 h LYS 129 CO -0.01 0.94 -0.11 -0.07 -2.81 0.00 0.00 179.45 177.40 3n28 h LEU 130 N 1.15 0.59 -0.05 5.20 3.38 -0.97 -2.75 115.31 121.87 3n28 h LEU 130 Ca 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3n28 h LEU 130 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3n28 h LEU 130 CO -0.03 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3n28 n ALA 131 N -2.48 2.14 -0.55 1.53 0.00 0.39 -4.90 120.51 116.64 3n28 n ALA 131 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3n28 n ALA 131 Cb 0.33 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3n28 n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n28 n GLY 132 N 1.05 0.74 0.74 0.00 0.00 -0.35 -4.92 105.19 102.45 3n28 n GLY 132 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 3n28 n GLY 132 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3n28 n VAL 133 N -2.40 2.28 -0.39 1.61 0.24 -0.61 -4.78 118.33 114.28 3n28 n VAL 133 Ca 0.00 -2.63 0.32 0.00 -2.04 0.00 0.00 64.34 59.99 3n28 n VAL 133 Cb 0.00 -0.27 0.63 0.00 -1.47 0.00 0.00 33.84 32.73 3n28 n VAL 133 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3n28 h GLY 134 N 0.93 0.90 0.79 7.63 0.00 -1.72 -2.16 103.07 109.45 3n28 h GLY 134 Ca 0.08 -0.12 -0.27 0.00 0.00 0.00 0.00 47.33 47.02 3n28 h GLY 134 CO 0.18 -0.19 -1.29 -2.09 0.00 0.00 0.00 176.54 173.15 3n28 h GLU 135 N 0.18 0.35 -0.44 4.80 4.81 -1.90 -2.76 114.58 119.62 3n28 h GLU 135 Ca 0.69 -0.59 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3n28 h GLU 135 Cb 2.17 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 31.71 3n28 h GLU 135 CO -0.26 1.28 0.06 0.93 -0.73 0.00 0.00 179.01 180.29 3n28 h GLU 136 N -0.17 0.18 -0.12 1.92 3.07 -1.78 0.33 114.58 118.00 3n28 h GLU 136 Ca -0.25 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 3n28 h GLU 136 Cb 1.86 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.72 3n28 h GLU 136 CO 0.15 0.12 -0.02 0.28 -1.40 0.00 0.00 179.01 178.13 3n28 h VAL 137 N 0.18 1.09 -0.03 3.13 2.07 -1.53 -2.00 116.25 119.16 3n28 h VAL 137 Ca 0.22 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3n28 h VAL 137 Cb 0.29 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3n28 h VAL 137 CO -0.31 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 177.34 3n28 h ALA 138 N 1.82 0.05 -0.78 1.67 0.00 -0.66 -1.88 119.26 119.47 3n28 h ALA 138 Ca 0.04 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 54.85 3n28 h ALA 138 Cb 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3n28 h ALA 138 CO 0.00 -0.12 0.55 0.93 0.00 0.00 0.00 179.25 180.61 3n28 h GLU 139 N -0.43 0.14 0.13 0.00 5.08 -0.02 -0.45 114.58 119.03 3n28 h GLU 139 Ca 0.00 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3n28 h GLU 139 Cb 0.63 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3n28 h GLU 139 CO 0.01 0.09 -1.24 0.28 -1.00 0.00 0.00 179.01 177.15 3n28 h VAL 140 N 0.14 1.44 -0.34 3.13 2.07 -1.24 -2.62 116.25 118.83 3n28 h VAL 140 Ca 0.38 -2.89 -0.09 0.00 0.82 0.00 0.00 66.70 64.92 3n28 h VAL 140 Cb 1.30 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 3n28 h VAL 140 CO -0.06 0.85 -0.17 0.74 0.02 0.00 0.00 177.57 178.95 3n28 h THR 141 N 0.12 1.26 -0.29 2.57 2.02 -0.33 -2.28 112.91 115.98 3n28 h THR 141 Ca -0.15 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3n28 h THR 141 Cb 1.95 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 3n28 h THR 141 CO 0.21 0.39 0.13 -0.08 0.37 0.00 0.00 175.52 176.55 3n28 h GLU 142 N 0.56 0.42 0.00 6.66 4.57 -1.18 -2.34 114.58 123.28 3n28 h GLU 142 Ca 0.09 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3n28 h GLU 142 Cb 0.61 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3n28 h GLU 142 CO 0.04 0.42 -0.04 0.00 -1.18 0.00 0.00 179.01 178.26 3n28 h ARG 143 N 0.33 0.00 0.00 1.92 3.08 -1.13 -0.24 114.38 118.34 3n28 h ARG 143 Ca 0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3n28 h ARG 143 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3n28 h ARG 143 CO -0.01 0.04 -0.62 0.00 -1.07 0.00 0.00 179.97 178.31 3n28 h ALA 144 N 1.96 0.69 0.00 0.04 0.00 -1.03 -2.65 119.26 118.27 3n28 h ALA 144 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3n28 h ALA 144 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3n28 h ALA 144 CO 0.00 0.61 -0.24 1.98 0.00 0.00 0.00 179.25 181.60 3n28 h MET 145 N 0.00 0.00 -0.06 0.00 -1.53 -0.52 -2.79 114.93 110.03 3n28 h MET 145 Ca -0.03 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 3n28 h MET 145 Cb 1.38 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.43 3n28 h MET 145 CO 0.06 0.24 0.00 1.04 0.14 0.00 0.00 176.91 178.39 3n28 n GLN 146 N -3.27 1.31 -1.21 0.39 1.13 -1.03 -4.88 117.38 109.82 3n28 n GLN 146 Ca 0.01 -0.47 -0.07 0.00 -1.94 0.00 0.00 57.00 54.53 3n28 n GLN 146 Cb 0.51 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.47 3n28 n GLN 146 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n28 n GLY 147 N 0.96 0.90 0.18 1.08 0.00 -1.05 -4.90 105.19 102.36 3n28 n GLY 147 Ca 0.16 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 3n28 n GLY 147 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3n28 h GLU 148 N 0.16 0.64 -5.72 1.61 4.81 -1.68 -3.44 114.58 110.95 3n28 h GLU 148 Ca -0.15 -0.79 -0.67 0.00 -0.13 0.00 0.00 59.36 57.62 3n28 h GLU 148 Cb 0.67 0.25 -0.24 0.00 0.63 0.00 0.00 28.75 30.06 3n28 h GLU 148 CO 0.22 1.35 -0.74 -0.51 -0.73 0.00 0.00 179.01 178.61 3n28 s LEU 149 N -7.99 2.90 0.00 1.64 1.43 -1.18 -5.01 118.68 110.48 3n28 s LEU 149 Ca -0.10 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3n28 s LEU 149 Cb 0.06 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3n28 s LEU 149 CO 0.92 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.85 3n28 n ASP 150 N 2.97 -0.57 -0.01 2.29 5.68 -1.26 -4.66 116.55 120.98 3n28 n ASP 150 Ca -0.18 -0.68 -0.12 0.00 -0.50 0.00 0.00 54.79 53.31 3n28 n ASP 150 Cb 0.53 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.43 3n28 n ASP 150 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3n28 h PHE 151 N -1.26 0.10 -0.43 2.11 3.57 -2.00 -2.54 116.94 116.48 3n28 h PHE 151 Ca 0.00 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 3n28 h PHE 151 Cb 0.00 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3n28 h PHE 151 CO 0.00 0.37 -0.19 1.49 -2.23 0.00 0.00 178.31 177.75 3n28 h GLU 152 N -0.20 0.84 -0.46 1.11 4.81 -1.98 -2.18 114.58 116.53 3n28 h GLU 152 Ca 0.01 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3n28 h GLU 152 Cb 0.33 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3n28 h GLU 152 CO 0.00 0.96 0.21 1.96 -0.73 0.00 0.00 179.01 181.41 3n28 h GLN 153 N 0.74 0.67 -0.23 1.92 4.20 -1.92 0.19 115.11 120.68 3n28 h GLN 153 Ca 0.11 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3n28 h GLN 153 Cb 0.71 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3n28 h GLN 153 CO 0.05 0.59 0.15 1.03 -0.67 0.00 0.00 178.83 179.98 3n28 h SER 154 N 0.60 0.27 0.68 1.46 0.87 -1.31 0.31 113.55 116.43 3n28 h SER 154 Ca 0.16 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3n28 h SER 154 Cb 0.15 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3n28 h SER 154 CO -0.02 0.20 -0.33 0.25 -0.53 0.00 0.00 176.83 176.41 3n28 h LEU 155 N 0.31 -0.78 -0.76 2.23 5.85 -1.12 -0.00 115.31 121.04 3n28 h LEU 155 Ca 0.08 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.97 3n28 h LEU 155 Cb -0.03 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3n28 h LEU 155 CO -0.02 -0.55 0.33 0.03 -0.34 0.00 0.00 178.44 177.89 3n28 h ARG 156 N -0.92 0.49 -0.37 1.25 3.08 -0.90 -0.08 114.38 116.92 3n28 h ARG 156 Ca -0.09 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3n28 h ARG 156 Cb 0.70 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3n28 h ARG 156 CO 0.15 0.32 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.13 3n28 h LEU 157 N 0.50 0.69 -0.41 3.04 3.38 -0.31 -1.22 115.31 120.98 3n28 h LEU 157 Ca 0.41 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3n28 h LEU 157 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3n28 h LEU 157 CO -0.37 0.87 -0.08 0.03 0.09 0.00 0.00 178.44 178.97 3n28 h ARG 158 N 0.62 0.78 -0.84 1.13 3.08 0.48 -2.90 114.38 116.72 3n28 h ARG 158 Ca 0.10 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.87 3n28 h ARG 158 Cb 0.64 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3n28 h ARG 158 CO 0.05 0.90 0.55 0.28 -1.07 0.00 0.00 179.97 180.68 3n28 h VAL 159 N 0.59 1.20 0.00 2.04 2.07 -0.94 -2.69 116.25 118.53 3n28 h VAL 159 Ca 0.11 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3n28 h VAL 159 Cb 0.60 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3n28 h VAL 159 CO 0.04 0.20 -0.04 0.77 0.02 0.00 0.00 177.57 178.56 3n28 h SER 160 N 1.12 0.00 0.51 0.57 4.64 -1.01 0.25 113.55 119.63 3n28 h SER 160 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3n28 h SER 160 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3n28 h SER 160 CO -0.07 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.21 3n28 n LYS 161 N -4.00 0.13 -0.10 4.77 4.76 -1.01 -2.39 118.16 120.31 3n28 n LYS 161 Ca -0.03 0.42 0.11 0.00 -2.87 0.00 0.00 58.31 55.94 3n28 n LYS 161 Cb 0.12 -1.77 0.33 0.00 -1.84 0.00 0.00 35.03 31.87 3n28 n LYS 161 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3n28 n LEU 162 N -2.02 2.16 -4.65 -0.35 4.77 0.08 -4.85 117.00 112.14 3n28 n LEU 162 Ca 0.02 -0.90 -0.47 0.00 -0.03 0.00 0.00 56.01 54.63 3n28 n LEU 162 Cb 0.17 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3n28 n LEU 162 CO 0.15 0.45 1.11 1.17 -1.33 0.00 0.00 177.39 178.94 3n28 n LYS 163 N 0.65 1.94 -0.87 3.23 4.81 -1.01 -0.74 118.16 126.18 3n28 n LYS 163 Ca 0.17 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3n28 n LYS 163 Cb 0.41 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.03 3n28 n LYS 163 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3n28 n ASP 164 N 3.07 -0.17 -4.76 3.14 8.00 0.43 -4.93 116.55 121.32 3n28 n ASP 164 Ca 0.16 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.28 3n28 n ASP 164 Cb 0.27 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3n28 n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n28 s ALA 165 N -3.63 3.02 0.17 2.24 0.00 0.08 -4.64 121.76 119.00 3n28 s ALA 165 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 3n28 s ALA 165 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 3n28 s ALA 165 CO 0.00 -0.85 1.09 -1.25 0.00 0.00 0.00 175.76 174.76 3n28 s PRO 166 N -2.60 4.60 0.26 0.00 0.04 -1.26 0.04 135.00 136.08 3n28 s PRO 166 Ca 0.63 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 3n28 s PRO 166 Cb -0.34 -3.29 0.52 0.00 0.04 0.00 0.00 34.50 31.44 3n28 s PRO 166 CO 0.41 0.07 1.65 1.49 0.04 0.00 0.00 177.00 180.67 3n28 h GLU 167 N 5.21 0.18 0.00 4.56 4.81 -0.72 -1.84 114.58 126.77 3n28 h GLU 167 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3n28 h GLU 167 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3n28 h GLU 167 CO 0.73 0.12 0.00 0.00 -0.73 0.00 0.00 179.01 179.12 3n28 n GLN 168 N -5.26 0.01 0.21 1.92 0.00 -1.26 -0.37 117.38 112.64 3n28 n GLN 168 Ca 0.16 0.20 0.07 0.00 0.00 0.00 0.00 57.00 57.44 3n28 n GLN 168 Cb 0.53 -1.50 0.47 0.00 0.00 0.00 0.00 30.24 29.74 3n28 n GLN 168 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3n28 h ILE 169 N 0.00 0.84 -0.17 -0.39 1.08 -1.73 -2.54 117.51 114.60 3n28 h ILE 169 Ca 0.00 -1.12 -0.21 0.00 -0.39 0.00 0.00 64.86 63.14 3n28 h ILE 169 Cb 0.01 1.68 0.01 0.00 -3.07 0.00 0.00 36.82 35.44 3n28 h ILE 169 CO 0.00 0.27 -0.72 -0.07 -0.69 0.00 0.00 178.15 176.95 3n28 h LEU 170 N 0.00 0.92 0.36 1.44 3.38 -0.93 -2.81 115.31 117.67 3n28 h LEU 170 Ca -0.00 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 3n28 h LEU 170 Cb 0.66 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3n28 h LEU 170 CO 0.04 1.39 -0.17 0.28 0.09 0.00 0.00 178.44 180.06 3n28 h SER 171 N 0.51 -0.41 -0.29 -0.43 0.02 -1.71 -1.54 113.55 109.71 3n28 h SER 171 Ca -0.04 -0.13 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3n28 h SER 171 Cb 1.35 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 3n28 h SER 171 CO 0.15 -0.08 0.61 -0.61 -1.14 0.00 0.00 176.83 175.76 3n28 h GLN 172 N -0.77 0.00 0.02 3.45 4.15 -1.50 0.20 115.11 120.66 3n28 h GLN 172 Ca -0.05 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.02 3n28 h GLN 172 Cb 0.52 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 3n28 h GLN 172 CO 0.08 0.00 -2.17 0.28 -1.93 0.00 0.00 178.83 175.09 3n28 n VAL 173 N -3.14 1.52 -0.33 2.39 0.31 -1.06 -4.09 118.33 113.93 3n28 n VAL 173 Ca 0.05 -0.76 0.09 0.00 -0.01 0.00 0.00 64.34 63.71 3n28 n VAL 173 Cb 0.73 -0.98 0.26 0.00 -0.91 0.00 0.00 33.84 32.93 3n28 n VAL 173 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3n28 h ARG 174 N 0.01 0.77 0.00 5.55 2.43 0.44 -2.42 114.38 121.16 3n28 h ARG 174 Ca -0.47 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3n28 h ARG 174 Cb 2.09 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.46 3n28 h ARG 174 CO 0.03 0.51 0.00 0.93 -1.51 0.00 0.00 179.97 179.93 3n28 h GLU 175 N 0.79 0.00 -0.10 0.20 5.08 -1.62 -2.87 114.58 116.06 3n28 h GLU 175 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 3n28 h GLU 175 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3n28 h GLU 175 CO -0.33 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 177.93 3n28 n THR 176 N -2.82 0.13 -5.01 1.13 -2.24 -0.91 -4.87 114.28 99.69 3n28 n THR 176 Ca 0.04 -0.19 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 3n28 n THR 176 Cb 0.49 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 3n28 n THR 176 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3n28 s LEU 177 N -1.48 2.01 -0.08 3.22 1.43 -1.08 -5.12 118.68 117.59 3n28 s LEU 177 Ca 0.27 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 3n28 s LEU 177 Cb 0.14 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 3n28 s LEU 177 CO 0.21 0.23 0.26 -2.16 0.23 0.00 0.00 176.35 175.13 3n28 s PRO 178 N -0.31 3.72 0.63 1.29 0.04 -1.26 -4.99 135.00 134.11 3n28 s PRO 178 Ca 0.03 0.11 -0.18 0.00 0.04 0.00 0.00 61.00 61.01 3n28 s PRO 178 Cb -0.10 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3n28 s PRO 178 CO 0.01 0.69 1.22 -0.51 0.04 0.00 0.00 177.00 178.45 3n28 s LEU 179 N -0.90 3.57 0.31 -3.56 1.43 -1.26 -4.94 118.68 113.33 3n28 s LEU 179 Ca 0.19 2.42 -0.27 0.00 -1.03 0.00 0.00 54.13 55.44 3n28 s LEU 179 Cb -0.14 -4.60 -0.14 0.00 0.03 0.00 0.00 46.19 41.34 3n28 s LEU 179 CO 0.08 -1.80 0.83 0.23 0.23 0.00 0.00 176.35 175.91 3n28 n MET 180 N -1.89 0.94 -1.80 1.70 2.81 -1.26 -4.80 117.12 112.81 3n28 n MET 180 Ca 0.14 0.33 -0.42 0.00 -1.81 0.00 0.00 57.70 55.94 3n28 n MET 180 Cb 0.49 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 3n28 n MET 180 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3n28 s PRO 181 N -1.49 4.16 0.00 0.03 0.04 -1.26 -2.70 135.00 133.79 3n28 s PRO 181 Ca 0.61 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.11 3n28 s PRO 181 Cb -0.72 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 29.90 3n28 s PRO 181 CO 0.59 -0.87 0.00 0.39 0.04 0.00 0.00 177.00 177.14 3n28 n GLU 182 N 6.80 0.00 -0.21 4.56 1.02 -1.26 -1.70 120.64 129.85 3n28 n GLU 182 Ca 0.18 0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 3n28 n GLU 182 Cb 0.41 -2.82 0.07 0.00 -0.02 0.00 0.00 31.44 29.08 3n28 n GLU 182 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3n28 h LEU 183 N 0.00 0.54 -0.69 -4.62 5.85 -1.87 -0.88 115.31 113.64 3n28 h LEU 183 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3n28 h LEU 183 Cb 0.00 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3n28 h LEU 183 CO 0.00 0.37 0.44 -0.65 -0.34 0.00 0.00 178.44 178.25 3n28 h PRO 184 N 0.67 0.92 -0.34 5.25 0.11 -1.89 -0.80 132.00 135.92 3n28 h PRO 184 Ca 0.26 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3n28 h PRO 184 Cb 0.11 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3n28 h PRO 184 CO -0.14 0.63 0.16 0.93 -0.21 0.00 0.00 178.00 179.37 3n28 h GLU 185 N 0.93 0.49 -0.55 1.05 3.07 -1.66 -1.15 114.58 116.78 3n28 h GLU 185 Ca 0.25 -0.08 0.07 0.00 -0.50 0.00 0.00 59.36 59.10 3n28 h GLU 185 Cb -0.07 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.70 3n28 h GLU 185 CO -0.05 0.46 0.23 1.25 -1.40 0.00 0.00 179.01 179.50 3n28 h LEU 186 N 0.41 0.26 0.06 1.33 5.85 -0.72 0.86 115.31 123.37 3n28 h LEU 186 Ca 0.12 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3n28 h LEU 186 Cb 0.13 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3n28 h LEU 186 CO -0.01 0.17 -0.03 0.58 -0.34 0.00 0.00 178.44 178.81 3n28 h VAL 187 N 0.43 1.00 -0.64 1.05 2.07 -0.95 -1.54 116.25 117.67 3n28 h VAL 187 Ca 0.26 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3n28 h VAL 187 Cb 0.27 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3n28 h VAL 187 CO -0.24 0.04 0.38 0.00 0.02 0.00 0.00 177.57 177.77 3n28 h ALA 188 N 0.79 0.81 -0.09 1.67 0.00 -0.89 -1.17 119.26 120.38 3n28 h ALA 188 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3n28 h ALA 188 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3n28 h ALA 188 CO 0.01 0.29 0.05 1.15 0.00 0.00 0.00 179.25 180.75 3n28 h THR 189 N 0.86 1.11 -0.60 0.00 2.02 -0.75 -0.52 112.91 115.03 3n28 h THR 189 Ca 0.23 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 3n28 h THR 189 Cb -0.02 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3n28 h THR 189 CO -0.04 0.10 0.04 -0.07 0.37 0.00 0.00 175.52 175.91 3n28 h LEU 190 N 0.03 1.00 -0.84 2.58 3.38 -1.12 -2.59 115.31 117.74 3n28 h LEU 190 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3n28 h LEU 190 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3n28 h LEU 190 CO -0.00 1.03 0.47 0.45 0.09 0.00 0.00 178.44 180.47 3n28 h HIS 191 N 0.95 1.14 -0.90 1.13 3.86 -1.07 -0.56 115.15 119.70 3n28 h HIS 191 Ca 0.18 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.55 3n28 h HIS 191 Cb 0.50 -0.37 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 3n28 h HIS 191 CO 0.03 0.79 0.59 0.00 0.86 0.00 0.00 177.93 180.20 3n28 h ALA 192 N 1.25 2.03 -0.01 2.45 0.00 -0.71 0.40 119.26 124.67 3n28 h ALA 192 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3n28 h ALA 192 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3n28 h ALA 192 CO -0.05 -0.30 0.00 1.19 0.00 0.00 0.00 179.25 180.09 3n28 n PHE 193 N -4.55 0.01 -0.99 0.00 3.72 -0.71 -4.91 117.46 110.02 3n28 n PHE 193 Ca 0.19 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3n28 n PHE 193 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3n28 n PHE 193 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n28 n GLY 194 N 1.06 0.39 3.88 1.37 0.00 0.14 -4.85 105.19 107.18 3n28 n GLY 194 Ca 0.21 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3n28 n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3n28 s TRP 195 N -2.00 3.59 0.06 1.61 0.52 -0.30 -4.57 118.94 117.85 3n28 s TRP 195 Ca 0.00 1.11 -0.03 0.00 0.02 0.00 0.00 56.10 57.21 3n28 s TRP 195 Cb 0.00 -2.56 -0.04 0.00 -1.15 0.00 0.00 33.47 29.72 3n28 s TRP 195 CO 0.00 -0.49 0.25 0.15 0.02 0.00 0.00 176.95 176.88 3n28 s LYS 196 N -4.88 3.50 -0.10 4.98 -0.14 -0.59 -4.25 119.74 118.26 3n28 s LYS 196 Ca 0.52 -0.28 0.01 0.00 -1.36 0.00 0.00 55.97 54.86 3n28 s LYS 196 Cb -0.11 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 33.05 3n28 s LYS 196 CO 0.48 0.59 -0.13 0.08 -0.76 0.00 0.00 175.35 175.62 3n28 s VAL 197 N -1.48 1.32 -0.02 3.17 1.01 -1.26 -1.59 120.40 121.55 3n28 s VAL 197 Ca 0.34 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3n28 s VAL 197 Cb -0.13 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 3n28 s VAL 197 CO 0.24 0.41 -0.11 0.00 0.00 0.00 0.00 175.10 175.64 3n28 s ALA 198 N 1.12 0.99 0.03 5.51 0.00 -0.42 -0.90 121.76 128.08 3n28 s ALA 198 Ca -0.05 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.52 3n28 s ALA 198 Cb -0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3n28 s ALA 198 CO -0.03 0.19 -0.08 0.96 0.00 0.00 0.00 175.76 176.80 3n28 s ILE 199 N 0.03 3.51 -0.18 0.00 -4.36 -0.47 -1.05 121.20 118.68 3n28 s ILE 199 Ca -0.01 -0.91 -0.05 0.00 -0.26 0.00 0.00 60.65 59.43 3n28 s ILE 199 Cb -0.08 -2.54 0.07 0.00 1.25 0.00 0.00 42.46 41.16 3n28 s ILE 199 CO 0.00 0.33 0.13 0.00 0.24 0.00 0.00 174.94 175.65 3n28 s ALA 200 N -1.03 0.19 0.23 2.27 0.00 -0.27 -1.77 121.76 121.37 3n28 s ALA 200 Ca 0.18 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.08 3n28 s ALA 200 Cb -0.11 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 3n28 s ALA 200 CO 0.09 -1.18 -0.07 -1.54 0.00 0.00 0.00 175.76 173.06 3n28 s SER 201 N 2.20 2.33 -0.19 0.00 1.04 -0.89 -4.09 113.70 114.09 3n28 s SER 201 Ca 0.04 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.38 3n28 s SER 201 Cb -0.16 -0.09 0.42 0.00 0.10 0.00 0.00 66.02 66.30 3n28 s SER 201 CO -0.10 -0.35 1.36 0.61 0.98 0.00 0.00 173.24 175.74 3n28 n GLY 202 N -0.44 2.87 0.00 7.32 0.00 -1.26 -4.18 105.19 109.50 3n28 n GLY 202 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3n28 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n28 n GLY 203 N -0.03 1.76 3.59 -0.02 0.00 -1.26 -4.80 105.19 104.43 3n28 n GLY 203 Ca 0.25 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 3n28 n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n28 s PHE 204 N 2.49 2.97 0.58 1.61 0.08 -1.26 -0.87 117.98 123.58 3n28 s PHE 204 Ca 0.00 0.02 0.33 0.00 0.12 0.00 0.00 56.93 57.40 3n28 s PHE 204 Cb 0.00 -1.74 1.39 0.00 -0.57 0.00 0.00 43.02 42.10 3n28 s PHE 204 CO 0.00 0.32 1.68 1.15 -0.10 0.00 0.00 175.22 178.27 3n28 h THR 205 N 4.31 0.24 -0.20 0.64 2.02 -1.30 0.09 112.91 118.72 3n28 h THR 205 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3n28 h THR 205 Cb 1.18 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3n28 h THR 205 CO 0.53 0.00 0.09 0.22 0.37 0.00 0.00 175.52 176.74 3n28 h TYR 206 N 0.00 0.29 0.13 3.16 3.20 -1.94 0.02 116.97 121.83 3n28 h TYR 206 Ca 0.48 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 3n28 h TYR 206 Cb 2.26 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.44 3n28 h TYR 206 CO 0.00 0.31 -0.06 0.74 -1.64 0.00 0.00 178.16 177.50 3n28 h PHE 207 N 0.19 -0.16 0.00 -3.82 0.04 -1.39 -2.97 116.94 108.83 3n28 h PHE 207 Ca 0.07 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 3n28 h PHE 207 Cb 0.13 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 3n28 h PHE 207 CO -0.02 0.26 -0.14 0.66 -0.60 0.00 0.00 178.31 178.47 3n28 h SER 208 N -0.66 0.00 1.04 2.17 4.64 -1.43 -1.08 113.55 118.22 3n28 h SER 208 Ca -0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3n28 h SER 208 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3n28 h SER 208 CO 0.03 0.14 -0.64 0.44 -0.87 0.00 0.00 176.83 175.93 3n28 h ASP 209 N 0.00 0.00 0.08 4.97 3.32 -1.05 -0.63 116.42 123.11 3n28 h ASP 209 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3n28 h ASP 209 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3n28 h ASP 209 CO 0.02 0.64 -0.04 0.22 -1.72 0.00 0.00 179.24 178.36 3n28 h TYR 210 N 0.00 -0.10 -0.75 4.55 3.20 -1.06 -2.22 116.97 120.59 3n28 h TYR 210 Ca -0.01 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.99 3n28 h TYR 210 Cb 1.33 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.55 3n28 h TYR 210 CO 0.00 0.35 0.31 1.25 -1.64 0.00 0.00 178.16 178.43 3n28 h LEU 211 N -0.60 0.31 -1.97 2.82 5.85 -1.32 0.23 115.31 120.64 3n28 h LEU 211 Ca -0.01 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3n28 h LEU 211 Cb 0.50 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3n28 h LEU 211 CO 0.02 0.13 -0.03 0.50 -0.34 0.00 0.00 178.44 178.72 3n28 h LYS 212 N 0.47 0.00 0.08 1.25 3.64 -1.01 -1.17 116.57 119.84 3n28 h LYS 212 Ca 0.40 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3n28 h LYS 212 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3n28 h LYS 212 CO -0.38 0.03 -0.04 0.93 -2.27 0.00 0.00 179.45 177.72 3n28 h GLU 213 N 0.00 -0.10 -0.85 1.90 4.39 -0.03 -0.88 114.58 119.01 3n28 h GLU 213 Ca -0.00 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.83 3n28 h GLU 213 Cb 0.05 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 3n28 h GLU 213 CO 0.00 0.35 0.55 1.96 -1.16 0.00 0.00 179.01 180.71 3n28 h GLN 214 N -0.95 0.71 -0.01 2.33 4.20 -0.73 -3.15 115.11 117.50 3n28 h GLN 214 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3n28 h GLN 214 Cb 0.50 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3n28 h GLN 214 CO 0.02 0.47 -0.11 1.28 -0.67 0.00 0.00 178.83 179.82 3n28 n LEU 215 N -4.53 1.53 -3.02 1.46 4.77 -0.45 -4.67 117.00 112.08 3n28 n LEU 215 Ca 0.15 -0.88 -0.22 0.00 -0.03 0.00 0.00 56.01 55.04 3n28 n LEU 215 Cb 0.39 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3n28 n LEU 215 CO 0.31 0.30 0.04 -1.20 -1.33 0.00 0.00 177.39 175.51 3n28 n SER 216 N 0.15 -6.08 -4.61 -1.43 7.64 -0.36 -4.90 113.62 104.02 3n28 n SER 216 Ca 0.05 -0.32 -0.35 0.00 1.01 0.00 0.00 58.87 59.26 3n28 n SER 216 Cb 0.24 -4.86 0.09 0.00 -1.01 0.00 0.00 64.21 58.67 3n28 n SER 216 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3n28 n LEU 217 N -4.09 3.34 0.07 -3.43 4.77 -1.02 -4.92 117.00 111.72 3n28 n LEU 217 Ca -0.09 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 3n28 n LEU 217 Cb 0.61 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.25 3n28 n LEU 217 CO 0.49 -2.11 -0.08 0.44 -1.33 0.00 0.00 177.39 174.80 3n28 h ASP 218 N -0.42 0.00 -4.24 -1.43 3.32 -1.37 -3.47 116.42 108.82 3n28 h ASP 218 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 3n28 h ASP 218 Cb 1.33 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.66 3n28 h ASP 218 CO 0.46 0.50 -0.02 -0.47 -1.72 0.00 0.00 179.24 177.98 3n28 s TYR 219 N -2.98 -0.59 -0.09 4.55 5.04 -1.17 -5.02 117.35 117.09 3n28 s TYR 219 Ca -0.01 1.34 -0.06 0.00 -2.44 0.00 0.00 57.07 55.90 3n28 s TYR 219 Cb 0.08 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.66 3n28 s TYR 219 CO 0.79 -0.37 0.22 0.00 -1.34 0.00 0.00 175.55 174.85 3n28 s ALA 220 N -0.13 -0.51 -0.04 3.97 0.00 -1.26 -1.36 121.76 122.44 3n28 s ALA 220 Ca -0.03 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 3n28 s ALA 220 Cb -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3n28 s ALA 220 CO 0.03 -0.15 0.06 -1.14 0.00 0.00 0.00 175.76 174.56 3n28 s GLN 221 N 0.69 -0.03 0.00 0.00 0.74 -0.73 -4.99 119.66 115.34 3n28 s GLN 221 Ca -0.05 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.66 3n28 s GLN 221 Cb -0.06 -0.33 0.00 0.00 1.10 0.00 0.00 33.01 33.72 3n28 s GLN 221 CO -0.04 -0.23 0.00 0.43 -0.55 0.00 0.00 175.29 174.90 3n28 n SER 222 N 4.63 0.13 -4.66 6.67 7.64 -1.26 -2.09 113.62 124.67 3n28 n SER 222 Ca -0.18 -0.86 -0.42 0.00 1.01 0.00 0.00 58.87 58.41 3n28 n SER 222 Cb 0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 3n28 n SER 222 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3n28 s ASN 223 N -0.72 7.02 -0.29 6.43 0.01 -0.05 -4.65 114.94 122.68 3n28 s ASN 223 Ca 0.00 1.27 -0.23 0.00 -0.71 0.00 0.00 52.86 53.18 3n28 s ASN 223 Cb 0.00 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 39.16 3n28 s ASN 223 CO 0.00 -0.57 0.78 -0.89 -1.51 0.00 0.00 177.10 174.91 3n28 s THR 224 N 2.83 4.82 -0.15 1.60 2.01 -1.26 -0.92 115.64 124.58 3n28 s THR 224 Ca 0.41 1.24 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 3n28 s THR 224 Cb -0.16 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 3n28 s THR 224 CO 0.08 -0.19 0.98 -0.76 -0.69 0.00 0.00 174.62 174.04 3n28 s LEU 225 N 2.88 4.19 0.10 4.42 1.43 -1.26 -1.00 118.68 129.44 3n28 s LEU 225 Ca 0.32 1.41 -0.31 0.00 -1.03 0.00 0.00 54.13 54.52 3n28 s LEU 225 Cb -0.14 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3n28 s LEU 225 CO 0.11 -0.49 1.43 -0.70 0.23 0.00 0.00 176.35 176.92 3n28 s GLU 226 N 2.34 4.30 -0.12 1.70 2.12 -0.37 -4.90 118.70 123.76 3n28 s GLU 226 Ca 0.45 2.10 0.01 0.00 0.36 0.00 0.00 54.97 57.89 3n28 s GLU 226 Cb -0.17 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 30.91 3n28 s GLU 226 CO 0.14 -0.50 -0.16 0.42 -0.54 0.00 0.00 175.26 174.62 3n28 s ILE 227 N 1.45 1.60 -0.02 -3.70 1.01 -1.26 -1.93 121.20 118.35 3n28 s ILE 227 Ca 0.66 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3n28 s ILE 227 Cb -0.37 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 3n28 s ILE 227 CO 0.30 0.46 -0.11 -0.69 0.00 0.00 0.00 174.94 174.90 3n28 s VAL 228 N 1.11 0.92 -1.61 2.92 1.01 0.48 -4.78 120.40 120.46 3n28 s VAL 228 Ca -0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3n28 s VAL 228 Cb -0.14 -0.79 0.14 0.00 0.00 0.00 0.00 36.38 35.59 3n28 s VAL 228 CO -0.04 0.27 0.75 -1.20 0.00 0.00 0.00 175.10 174.88 3n28 n SER 229 N 3.02 -3.46 -0.87 3.32 7.64 -1.26 -0.43 113.62 121.58 3n28 n SER 229 Ca -0.16 -0.88 -0.11 0.00 1.01 0.00 0.00 58.87 58.73 3n28 n SER 229 Cb 0.55 -2.83 -0.05 0.00 -1.01 0.00 0.00 64.21 60.87 3n28 n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n28 n GLY 230 N -1.35 1.21 3.26 0.23 0.00 -1.26 -4.98 105.19 102.30 3n28 n GLY 230 Ca 0.06 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3n28 n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n28 s LYS 231 N -2.83 1.30 0.11 1.61 1.02 0.42 0.05 119.74 121.43 3n28 s LYS 231 Ca 0.00 -1.01 -0.31 0.00 0.02 0.00 0.00 55.97 54.67 3n28 s LYS 231 Cb 0.00 -1.47 -0.07 0.00 -0.52 0.00 0.00 37.83 35.77 3n28 s LYS 231 CO 0.00 0.37 1.33 -0.51 -0.92 0.00 0.00 175.35 175.62 3n28 s LEU 232 N -1.42 4.37 0.22 3.17 1.43 0.11 -0.38 118.68 126.18 3n28 s LEU 232 Ca 0.07 2.25 0.25 0.00 -1.03 0.00 0.00 54.13 55.67 3n28 s LEU 232 Cb -0.09 -3.59 0.67 0.00 0.03 0.00 0.00 46.19 43.21 3n28 s LEU 232 CO 0.03 -0.59 1.68 0.71 0.23 0.00 0.00 176.35 178.40 3n28 h THR 233 N 4.28 0.00 0.00 5.49 1.35 -1.68 1.25 112.91 123.60 3n28 h THR 233 Ca -0.42 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3n28 h THR 233 Cb 1.21 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3n28 h THR 233 CO 0.84 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 3n28 n GLY 234 N 1.29 0.68 3.88 5.82 0.00 -1.26 -4.52 105.19 111.08 3n28 n GLY 234 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3n28 n GLY 234 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3n28 s GLN 235 N -0.67 3.26 -0.27 1.61 0.74 -1.26 -3.01 119.66 120.06 3n28 s GLN 235 Ca 0.00 -0.58 -0.08 0.00 0.05 0.00 0.00 55.36 54.75 3n28 s GLN 235 Cb 0.00 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 3n28 s GLN 235 CO 0.00 0.57 0.10 0.08 -0.55 0.00 0.00 175.29 175.49 3n28 s VAL 236 N -1.56 4.47 0.24 1.34 1.01 -1.26 -1.24 120.40 123.41 3n28 s VAL 236 Ca 0.33 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 3n28 s VAL 236 Cb -0.12 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 3n28 s VAL 236 CO 0.26 0.26 0.91 -0.76 0.00 0.00 0.00 175.10 175.78 3n28 s LEU 237 N 1.63 4.58 0.00 3.92 1.43 -0.17 -4.89 118.68 125.17 3n28 s LEU 237 Ca 0.06 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3n28 s LEU 237 Cb -0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3n28 s LEU 237 CO 0.05 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3n28 n GLY 238 N 1.32 0.27 3.83 -3.19 0.00 -1.26 -4.19 105.19 101.96 3n28 n GLY 238 Ca -0.02 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 3n28 n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n28 s GLU 239 N 0.00 4.17 -0.31 1.61 2.12 -1.26 -5.04 118.70 120.00 3n28 s GLU 239 Ca 0.00 0.88 -0.23 0.00 0.36 0.00 0.00 54.97 55.98 3n28 s GLU 239 Cb 0.00 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.86 3n28 s GLU 239 CO 0.00 0.19 0.78 0.08 -0.54 0.00 0.00 175.26 175.77 3n28 s VAL 240 N -1.87 4.80 -0.00 3.70 1.01 -1.26 -4.77 120.40 122.00 3n28 s VAL 240 Ca 0.53 1.17 -0.31 0.00 0.00 0.00 0.00 61.98 63.37 3n28 s VAL 240 Cb -0.12 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 3n28 s VAL 240 CO 0.18 -0.24 1.96 0.52 0.00 0.00 0.00 175.10 177.52 3n28 n VAL 241 N 5.53 0.71 -4.63 2.92 0.31 -1.26 -4.95 118.33 116.95 3n28 n VAL 241 Ca 0.03 -0.14 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 3n28 n VAL 241 Cb 0.48 -2.20 -0.09 0.00 -0.91 0.00 0.00 33.84 31.12 3n28 n VAL 241 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3n28 s SER 242 N 4.47 3.56 0.25 4.52 1.04 -1.26 -4.76 113.70 121.52 3n28 s SER 242 Ca 0.90 -1.55 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 3n28 s SER 242 Cb -0.50 0.20 0.42 0.00 0.10 0.00 0.00 66.02 66.23 3n28 s SER 242 CO 0.45 -0.73 1.62 0.00 0.98 0.00 0.00 173.24 175.55 3n28 h ALA 243 N 1.65 0.72 -0.60 5.32 0.00 -1.94 0.36 119.26 124.76 3n28 h ALA 243 Ca -0.42 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3n28 h ALA 243 Cb 1.28 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 3n28 h ALA 243 CO 0.72 -0.43 0.08 0.37 0.00 0.00 0.00 179.25 179.99 3n28 h GLN 244 N 0.06 1.00 -0.98 0.00 5.75 -1.96 -2.82 115.11 116.16 3n28 h GLN 244 Ca 0.41 -0.27 0.11 0.00 -0.15 0.00 0.00 58.65 58.75 3n28 h GLN 244 Cb 0.71 -0.11 -0.08 0.00 1.07 0.00 0.00 27.48 29.07 3n28 h GLN 244 CO -0.73 0.95 0.61 1.15 -2.65 0.00 0.00 178.83 178.15 3n28 h THR 245 N 0.90 0.93 -0.34 2.39 2.02 -1.33 -0.82 112.91 116.65 3n28 h THR 245 Ca 0.18 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3n28 h THR 245 Cb 0.44 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3n28 h THR 245 CO 0.01 0.18 0.20 0.11 0.37 0.00 0.00 175.52 176.39 3n28 h LYS 246 N 0.98 0.47 -0.24 6.66 1.57 -1.07 0.49 116.57 125.43 3n28 h LYS 246 Ca 0.47 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 3n28 h LYS 246 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3n28 h LYS 246 CO -0.25 0.37 -0.17 0.00 -0.57 0.00 0.00 179.45 178.83 3n28 h ALA 247 N 1.07 1.26 -0.28 3.86 0.00 -1.30 -2.30 119.26 121.58 3n28 h ALA 247 Ca 0.12 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3n28 h ALA 247 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3n28 h ALA 247 CO -0.02 0.49 -0.15 -0.44 0.00 0.00 0.00 179.25 179.13 3n28 h ASP 248 N 0.39 0.61 -0.58 0.00 3.32 -0.71 -2.14 116.42 117.31 3n28 h ASP 248 Ca 0.07 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.77 3n28 h ASP 248 Cb 0.53 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 3n28 h ASP 248 CO 0.03 0.89 0.27 0.40 -1.72 0.00 0.00 179.24 179.11 3n28 h ILE 249 N 0.33 0.88 0.05 0.35 2.04 -0.69 -0.27 117.51 120.20 3n28 h ILE 249 Ca 0.06 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3n28 h ILE 249 Cb 0.67 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3n28 h ILE 249 CO 0.04 0.09 -0.08 0.25 0.00 0.00 0.00 178.15 178.46 3n28 h LEU 250 N 0.49 -0.20 -0.74 1.44 6.46 -1.28 -1.04 115.31 120.45 3n28 h LEU 250 Ca 0.27 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.97 3n28 h LEU 250 Cb 0.25 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3n28 h LEU 250 CO -0.23 -0.12 0.01 -0.07 -0.62 0.00 0.00 178.44 177.42 3n28 h LEU 251 N -0.16 0.94 0.45 2.25 3.38 -1.09 -1.56 115.31 119.53 3n28 h LEU 251 Ca 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3n28 h LEU 251 Cb 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3n28 h LEU 251 CO -0.04 1.00 -0.21 0.74 0.09 0.00 0.00 178.44 180.01 3n28 h THR 252 N 0.90 0.55 -0.89 0.22 2.02 -0.89 -2.40 112.91 112.41 3n28 h THR 252 Ca 0.17 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3n28 h THR 252 Cb 0.51 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3n28 h THR 252 CO 0.03 0.03 0.57 -0.07 0.37 0.00 0.00 175.52 176.45 3n28 h LEU 253 N -0.70 1.04 -0.01 2.58 3.38 -1.17 0.24 115.31 120.66 3n28 h LEU 253 Ca -0.06 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3n28 h LEU 253 Cb 0.51 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3n28 h LEU 253 CO 0.10 0.77 -0.21 0.00 0.09 0.00 0.00 178.44 179.19 3n28 h ALA 254 N 1.42 -0.26 -0.50 1.53 0.00 -1.18 1.58 119.26 121.85 3n28 h ALA 254 Ca 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3n28 h ALA 254 Cb -0.11 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3n28 h ALA 254 CO -0.07 -0.70 0.18 0.37 0.00 0.00 0.00 179.25 179.03 3n28 h GLN 255 N -0.33 0.76 -0.72 0.00 4.15 -1.00 0.54 115.11 118.51 3n28 h GLN 255 Ca 0.06 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 3n28 h GLN 255 Cb 0.42 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3n28 h GLN 255 CO -0.20 0.70 0.26 0.37 -1.93 0.00 0.00 178.83 178.03 3n28 h GLN 256 N 0.67 1.08 -0.01 1.69 4.15 0.03 -1.88 115.11 120.84 3n28 h GLN 256 Ca 0.16 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3n28 h GLN 256 Cb 0.24 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3n28 h GLN 256 CO -0.01 0.90 -0.10 0.66 -1.93 0.00 0.00 178.83 178.35 3n28 n TYR 257 N -4.28 0.00 -3.16 3.99 4.01 0.54 -4.93 117.16 113.33 3n28 n TYR 257 Ca 0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 3n28 n TYR 257 Cb 0.20 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.21 3n28 n TYR 257 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3n28 n ASP 258 N -0.31 -4.54 -4.47 7.72 -0.08 0.14 -5.01 116.55 110.01 3n28 n ASP 258 Ca 0.16 -0.34 -0.33 0.00 -1.51 0.00 0.00 54.79 52.77 3n28 n ASP 258 Cb 0.33 -3.32 -0.13 0.00 2.34 0.00 0.00 41.12 40.34 3n28 n ASP 258 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3n28 s VAL 259 N -3.20 3.48 0.45 5.18 1.01 0.14 -4.98 120.40 122.49 3n28 s VAL 259 Ca 0.34 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 3n28 s VAL 259 Cb -0.15 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 3n28 s VAL 259 CO 0.45 0.54 1.39 -1.61 0.00 0.00 0.00 175.10 175.88 3n28 s GLU 260 N -0.02 3.68 0.38 2.72 0.41 -1.26 -4.44 118.70 120.16 3n28 s GLU 260 Ca -0.01 2.34 0.05 0.00 -0.41 0.00 0.00 54.97 56.94 3n28 s GLU 260 Cb -0.14 -2.63 0.75 0.00 -1.78 0.00 0.00 34.13 30.34 3n28 s GLU 260 CO 0.03 -0.80 2.03 0.82 -0.49 0.00 0.00 175.26 176.85 3n28 h ILE 261 N 2.23 1.12 0.00 -1.63 1.08 -1.96 -0.43 117.51 117.92 3n28 h ILE 261 Ca -0.51 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3n28 h ILE 261 Cb 1.27 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 3n28 h ILE 261 CO 0.61 0.13 0.00 1.12 -0.69 0.00 0.00 178.15 179.32 3n28 h HIS 262 N 0.71 0.00 -0.85 1.37 2.07 -1.93 -2.21 115.15 114.31 3n28 h HIS 262 Ca 0.20 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.25 3n28 h HIS 262 Cb -0.04 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 29.67 3n28 h HIS 262 CO -0.00 0.00 0.47 -1.71 -3.07 0.00 0.00 177.93 173.62 3n28 n ASN 263 N -2.34 4.22 -4.56 3.10 5.15 -0.17 -4.49 115.26 116.17 3n28 n ASN 263 Ca 0.02 -3.69 -0.26 0.00 -0.60 0.00 0.00 54.58 50.05 3n28 n ASN 263 Cb 0.26 -0.80 -0.09 0.00 -0.53 0.00 0.00 39.78 38.61 3n28 n ASN 263 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3n28 s THR 264 N -3.62 3.10 -0.01 -0.44 -4.23 -1.00 -2.78 115.64 106.66 3n28 s THR 264 Ca 0.55 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3n28 s THR 264 Cb 0.47 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.76 3n28 s THR 264 CO 0.06 -0.13 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.22 3n28 s VAL 265 N -1.75 0.80 -0.09 2.29 1.01 0.22 -1.77 120.40 121.11 3n28 s VAL 265 Ca 0.25 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3n28 s VAL 265 Cb -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3n28 s VAL 265 CO 0.15 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.38 3n28 s ALA 266 N -0.09 1.35 -0.21 5.51 0.00 -0.02 -0.53 121.76 127.77 3n28 s ALA 266 Ca 0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 3n28 s ALA 266 Cb -0.06 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3n28 s ALA 266 CO -0.00 -0.16 0.03 0.08 0.00 0.00 0.00 175.76 175.71 3n28 s VAL 267 N 1.19 4.22 0.31 0.00 1.01 -0.46 -0.38 120.40 126.30 3n28 s VAL 267 Ca -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3n28 s VAL 267 Cb -0.14 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3n28 s VAL 267 CO -0.03 0.42 0.43 -0.83 0.00 0.00 0.00 175.10 175.09 3n28 s GLY 268 N 0.98 1.35 0.00 4.51 0.00 -0.61 -2.90 107.32 110.65 3n28 s GLY 268 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3n28 s GLY 268 CO 0.02 -0.99 0.00 2.09 0.00 0.00 0.00 173.10 174.22 3n28 n ASP 269 N -1.12 0.05 -4.37 1.64 5.75 -1.26 -0.36 116.55 116.88 3n28 n ASP 269 Ca 0.01 -0.01 -0.19 0.00 -0.01 0.00 0.00 54.79 54.60 3n28 n ASP 269 Cb 0.62 0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 3n28 n ASP 269 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3n28 s GLY 270 N -0.03 1.66 0.53 6.12 0.00 -1.26 -3.67 107.32 110.67 3n28 s GLY 270 Ca 0.00 -1.82 0.35 0.00 0.00 0.00 0.00 44.72 43.26 3n28 s GLY 270 CO 0.00 -1.74 1.78 0.00 0.00 0.00 0.00 173.10 173.14 3n28 h ALA 271 N 2.39 3.07 -0.03 3.20 0.00 -1.99 0.28 119.26 126.18 3n28 h ALA 271 Ca -0.39 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3n28 h ALA 271 Cb 1.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3n28 h ALA 271 CO 0.66 -1.44 0.16 -0.97 0.00 0.00 0.00 179.25 177.66 3n28 h ASN 272 N 0.05 0.00 -0.01 0.00 -0.00 -2.00 -2.81 115.58 110.81 3n28 h ASN 272 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.90 3n28 h ASN 272 Cb 2.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.62 3n28 h ASN 272 CO -0.05 0.00 -0.45 0.47 -0.00 0.00 0.00 177.43 177.40 3n28 n ASP 273 N -3.14 1.18 -0.23 1.15 8.00 0.97 -4.24 116.55 120.24 3n28 n ASP 273 Ca -0.02 -1.09 0.03 0.00 0.71 0.00 0.00 54.79 54.43 3n28 n ASP 273 Cb 0.23 0.69 0.28 0.00 -0.02 0.00 0.00 41.12 42.29 3n28 n ASP 273 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3n28 h LEU 274 N 0.97 0.81 -0.07 0.64 3.38 -1.58 0.14 115.31 119.60 3n28 h LEU 274 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3n28 h LEU 274 Cb 0.43 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3n28 h LEU 274 CO 0.00 0.55 0.02 0.58 0.09 0.00 0.00 178.44 179.68 3n28 h VAL 275 N 0.94 1.18 -0.50 1.22 2.07 -1.81 0.24 116.25 119.59 3n28 h VAL 275 Ca 0.32 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3n28 h VAL 275 Cb 0.09 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3n28 h VAL 275 CO -0.10 0.15 0.17 -0.03 0.02 0.00 0.00 177.57 177.79 3n28 h MET 276 N -0.09 0.33 -0.60 1.57 1.85 -1.58 -2.12 114.93 114.29 3n28 h MET 276 Ca 0.02 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.04 3n28 h MET 276 Cb 0.23 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 3n28 h MET 276 CO -0.00 0.22 0.16 0.52 -0.40 0.00 0.00 176.91 177.41 3n28 h MET 277 N 0.34 0.95 0.00 0.39 2.07 -0.39 -2.09 114.93 116.20 3n28 h MET 277 Ca 0.24 -0.22 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 3n28 h MET 277 Cb 0.27 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.87 3n28 h MET 277 CO -0.26 0.87 -0.10 0.00 1.07 0.00 0.00 176.91 178.50 3n28 h ALA 278 N 1.04 1.26 0.00 6.32 0.00 -0.28 -2.88 119.26 124.73 3n28 h ALA 278 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3n28 h ALA 278 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n28 h ALA 278 CO 0.00 0.12 -0.82 0.00 0.00 0.00 0.00 179.25 178.55 3n28 h ALA 279 N 1.90 0.68 -2.37 0.00 0.00 -0.71 -3.47 119.26 115.29 3n28 h ALA 279 Ca -0.00 -0.43 -0.49 0.00 0.00 0.00 0.00 54.91 53.99 3n28 h ALA 279 Cb 0.31 0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.22 3n28 h ALA 279 CO 0.01 0.51 0.31 0.00 0.00 0.00 0.00 179.25 180.09 3n28 s ALA 280 N -3.06 3.13 0.26 0.00 0.00 -1.00 -4.97 121.76 116.12 3n28 s ALA 280 Ca 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 3n28 s ALA 280 Cb 0.08 -2.87 0.31 0.00 0.00 0.00 0.00 23.12 20.63 3n28 s ALA 280 CO 0.76 -0.80 1.92 0.78 0.00 0.00 0.00 175.76 178.43 3n28 h GLY 281 N -0.30 1.42 -6.89 0.00 0.00 -0.86 -3.42 103.07 93.03 3n28 h GLY 281 Ca -0.45 -0.51 -0.33 0.00 0.00 0.00 0.00 47.33 46.04 3n28 h GLY 281 CO 0.62 0.47 -0.73 -2.27 0.00 0.00 0.00 176.54 174.64 3n28 s LEU 282 N -10.11 0.59 -0.11 3.11 2.96 -0.73 -4.93 118.68 109.46 3n28 s LEU 282 Ca -0.13 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 3n28 s LEU 282 Cb 0.18 -0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.75 3n28 s LEU 282 CO 0.82 -0.19 0.27 -0.83 -1.32 0.00 0.00 176.35 175.10 3n28 s GLY 283 N 1.63 2.25 -0.22 7.98 0.00 -1.26 -0.84 107.32 116.86 3n28 s GLY 283 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.26 3n28 s GLY 283 CO -0.03 0.15 -0.13 0.14 0.00 0.00 0.00 173.10 173.23 3n28 s VAL 284 N -0.27 1.97 -0.10 1.40 1.01 0.49 -2.65 120.40 122.24 3n28 s VAL 284 Ca 0.17 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 3n28 s VAL 284 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3n28 s VAL 284 CO 0.06 0.18 1.27 0.00 0.00 0.00 0.00 175.10 176.61 3n28 s ALA 285 N 1.25 3.59 -0.32 5.51 0.00 -0.04 -1.57 121.76 130.17 3n28 s ALA 285 Ca -0.03 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 3n28 s ALA 285 Cb -0.17 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.39 3n28 s ALA 285 CO -0.08 -1.00 0.09 -0.47 0.00 0.00 0.00 175.76 174.30 3n28 s TYR 286 N 2.93 3.21 -1.31 0.00 5.04 0.51 0.47 117.35 128.20 3n28 s TYR 286 Ca 0.57 -1.26 -0.17 0.00 -2.44 0.00 0.00 57.07 53.77 3n28 s TYR 286 Cb -0.24 -2.26 0.01 0.00 0.35 0.00 0.00 41.96 39.82 3n28 s TYR 286 CO 0.19 -0.67 0.50 0.72 -1.34 0.00 0.00 175.55 174.95 3n28 n HIS 287 N 4.83 -1.52 -3.34 4.97 8.25 -0.02 -4.51 115.22 123.88 3n28 n HIS 287 Ca -0.13 0.41 -0.19 0.00 -0.26 0.00 0.00 57.72 57.54 3n28 n HIS 287 Cb 0.46 -3.13 -0.01 0.00 1.12 0.00 0.00 29.99 28.43 3n28 n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n28 s ALA 288 N -3.79 4.27 0.29 -1.41 0.00 -1.26 -4.93 121.76 114.92 3n28 s ALA 288 Ca 0.28 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.15 3n28 s ALA 288 Cb -0.13 -1.26 -0.10 0.00 0.00 0.00 0.00 23.12 21.63 3n28 s ALA 288 CO 0.94 -0.27 1.26 0.15 0.00 0.00 0.00 175.76 177.84 3n28 s LYS 289 N -4.24 4.43 0.57 0.00 1.02 -1.24 -4.73 119.74 115.55 3n28 s LYS 289 Ca 0.51 2.09 0.37 0.00 0.02 0.00 0.00 55.97 58.96 3n28 s LYS 289 Cb -0.06 -3.12 1.45 0.00 -0.52 0.00 0.00 37.83 35.58 3n28 s LYS 289 CO 0.30 -0.11 1.66 -1.35 -0.92 0.00 0.00 175.35 174.93 3n28 h PRO 290 N 3.90 0.00 -0.15 -1.68 0.11 -1.98 0.93 132.00 133.13 3n28 h PRO 290 Ca -0.48 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 3n28 h PRO 290 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3n28 h PRO 290 CO 0.68 0.00 -0.65 -0.22 -0.21 0.00 0.00 178.00 177.60 3n28 h LYS 291 N 0.00 0.58 0.04 1.05 3.64 -2.00 -2.09 116.57 117.79 3n28 h LYS 291 Ca 0.58 -0.42 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 3n28 h LYS 291 Cb 2.59 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 34.47 3n28 h LYS 291 CO -0.01 1.04 -1.00 0.28 -2.27 0.00 0.00 179.45 177.50 3n28 h VAL 292 N 0.42 1.51 -0.71 2.00 2.07 0.47 -3.25 116.25 118.76 3n28 h VAL 292 Ca -0.02 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.69 3n28 h VAL 292 Cb 1.23 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 3n28 h VAL 292 CO 0.12 0.82 0.45 -0.33 0.02 0.00 0.00 177.57 178.65 3n28 h GLU 293 N 0.10 0.95 0.00 1.57 5.08 -1.04 -2.43 114.58 118.82 3n28 h GLU 293 Ca -0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3n28 h GLU 293 Cb 1.67 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3n28 h GLU 293 CO 0.16 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.82 3n28 h ALA 294 N 1.24 1.00 0.00 3.43 0.00 -1.41 -2.69 119.26 120.83 3n28 h ALA 294 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3n28 h ALA 294 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3n28 h ALA 294 CO -0.05 0.00 -1.65 1.63 0.00 0.00 0.00 179.25 179.18 3n28 n LYS 295 N -2.60 0.64 -3.09 0.00 5.02 -0.95 -4.95 118.16 112.22 3n28 n LYS 295 Ca 0.01 -0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 55.84 3n28 n LYS 295 Cb 0.21 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3n28 n LYS 295 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n28 s ALA 296 N -3.46 3.45 0.39 7.82 0.00 -1.01 -4.97 121.76 123.97 3n28 s ALA 296 Ca -0.05 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.16 3n28 s ALA 296 Cb 0.12 -2.83 0.79 0.00 0.00 0.00 0.00 23.12 21.20 3n28 s ALA 296 CO 0.87 0.33 2.04 1.96 0.00 0.00 0.00 175.76 180.96 3n28 h GLN 297 N 3.81 0.63 -4.16 0.00 4.20 -1.86 -3.44 115.11 114.29 3n28 h GLN 297 Ca -0.48 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.05 3n28 h GLN 297 Cb 1.20 -0.14 -0.17 0.00 0.30 0.00 0.00 27.48 28.67 3n28 h GLN 297 CO 0.65 0.42 -0.69 0.95 -0.67 0.00 0.00 178.83 179.49 3n28 s THR 298 N -5.56 0.19 0.01 -0.54 -4.23 -1.09 -4.64 115.64 99.78 3n28 s THR 298 Ca -0.09 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3n28 s THR 298 Cb 0.17 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 3n28 s THR 298 CO 0.74 -0.82 -0.02 0.00 -0.54 0.00 0.00 174.62 173.98 3n28 s ALA 299 N -3.04 0.16 -0.21 3.99 0.00 -1.26 -0.87 121.76 120.54 3n28 s ALA 299 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 3n28 s ALA 299 Cb 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3n28 s ALA 299 CO -0.07 -0.02 0.06 0.08 0.00 0.00 0.00 175.76 175.81 3n28 s VAL 300 N -0.53 4.53 -0.09 0.00 1.01 0.18 -4.65 120.40 120.85 3n28 s VAL 300 Ca -0.05 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3n28 s VAL 300 Cb -0.04 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 3n28 s VAL 300 CO -0.00 0.40 -0.05 0.54 0.00 0.00 0.00 175.10 175.99 3n28 n ARG 301 N 4.16 1.06 -0.01 2.72 1.74 -1.26 -0.84 116.66 124.23 3n28 n ARG 301 Ca -0.16 0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 56.94 3n28 n ARG 301 Cb 0.52 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.76 3n28 n ARG 301 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3n28 n PHE 302 N -2.61 0.00 -1.43 -1.55 3.72 -1.26 -4.73 117.46 109.60 3n28 n PHE 302 Ca -0.15 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.95 3n28 n PHE 302 Cb 0.69 -0.09 0.11 0.00 -0.94 0.00 0.00 39.48 39.26 3n28 n PHE 302 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n28 s ALA 303 N -2.05 1.92 1.00 4.37 0.00 -1.26 -5.08 121.76 120.66 3n28 s ALA 303 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3n28 s ALA 303 Cb 0.01 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3n28 s ALA 303 CO 0.06 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.20 3n28 n GLY 304 N -1.76 -1.53 0.19 0.00 0.00 -1.26 -4.83 105.19 96.00 3n28 n GLY 304 Ca 0.07 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.64 3n28 n GLY 304 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n28 h LEU 305 N 0.00 0.00 -2.54 0.99 3.38 -1.61 -0.47 115.31 115.05 3n28 h LEU 305 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n28 h LEU 305 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n28 h LEU 305 CO 0.00 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.75 3n28 h GLY 306 N 0.28 0.00 1.68 0.83 0.00 -1.80 -1.01 103.07 103.05 3n28 h GLY 306 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3n28 h GLY 306 CO 0.00 0.00 0.12 -1.33 0.00 0.00 0.00 176.54 175.33 3n28 h GLY 307 N 0.15 0.01 1.48 4.60 0.00 -1.40 -0.68 103.07 107.24 3n28 h GLY 307 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 3n28 h GLY 307 CO 0.00 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.40 3n28 h VAL 308 N 0.01 1.23 -0.04 4.60 2.07 -1.38 -2.40 116.25 120.34 3n28 h VAL 308 Ca 0.08 -1.01 -0.18 0.00 0.82 0.00 0.00 66.70 66.41 3n28 h VAL 308 Cb 0.29 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3n28 h VAL 308 CO -0.00 0.34 -0.75 0.58 0.02 0.00 0.00 177.57 177.76 3n28 h VAL 309 N 0.58 1.43 -0.59 2.57 2.07 -1.27 -2.30 116.25 118.74 3n28 h VAL 309 Ca 0.11 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 65.40 3n28 h VAL 309 Cb 0.47 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 3n28 h VAL 309 CO 0.02 0.67 0.31 0.00 0.02 0.00 0.00 177.57 178.60 3n28 h ILE 311 N 0.59 1.20 0.00 0.00 2.04 -1.29 -2.86 117.51 117.19 3n28 h ILE 311 Ca 0.26 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 3n28 h ILE 311 Cb 0.17 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3n28 h ILE 311 CO -0.17 0.23 -0.54 -0.07 0.00 0.00 0.00 178.15 177.60 3n28 h LEU 312 N 0.44 0.00 -1.28 1.44 3.38 -0.97 -2.75 115.31 115.57 3n28 h LEU 312 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3n28 h LEU 312 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3n28 h LEU 312 CO -0.01 0.54 -0.28 0.77 0.09 0.00 0.00 178.44 179.55 3n28 h SER 313 N 0.00 0.00 -0.61 -0.43 4.64 -0.21 -3.01 113.55 113.92 3n28 h SER 313 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3n28 h SER 313 Cb 0.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 3n28 h SER 313 CO 0.07 0.28 0.22 0.00 -0.87 0.00 0.00 176.83 176.54 3n28 h ALA 314 N 1.72 0.80 -0.39 5.18 0.00 -1.27 -0.19 119.26 125.11 3n28 h ALA 314 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3n28 h ALA 314 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3n28 h ALA 314 CO 0.04 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.77 3n28 h ALA 315 N 1.08 1.35 0.31 0.00 0.00 -1.64 0.19 119.26 120.56 3n28 h ALA 315 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3n28 h ALA 315 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3n28 h ALA 315 CO -0.01 0.46 -0.15 1.25 0.00 0.00 0.00 179.25 180.79 3n28 h LEU 316 N 0.58 -0.35 -0.72 0.00 5.85 -1.35 -1.82 115.31 117.50 3n28 h LEU 316 Ca 0.13 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3n28 h LEU 316 Cb 0.30 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3n28 h LEU 316 CO 0.00 -0.12 -0.16 0.58 -0.34 0.00 0.00 178.44 178.41 3n28 h VAL 317 N -0.58 1.26 -0.69 1.05 2.07 -0.89 0.18 116.25 118.66 3n28 h VAL 317 Ca -0.04 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 3n28 h VAL 317 Cb 0.42 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3n28 h VAL 317 CO 0.07 0.43 0.16 0.00 0.02 0.00 0.00 177.57 178.24 3n28 h ALA 318 N 1.10 0.97 -0.39 1.67 0.00 -0.59 -2.68 119.26 119.33 3n28 h ALA 318 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n28 h ALA 318 Cb 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n28 h ALA 318 CO 0.05 0.66 0.00 1.04 0.00 0.00 0.00 179.25 181.00 3n28 n GLN 319 N -4.23 2.22 -3.91 0.00 1.13 -0.69 -3.40 117.38 108.50 3n28 n GLN 319 Ca 0.05 -1.87 -0.28 0.00 -1.94 0.00 0.00 57.00 52.96 3n28 n GLN 319 Cb 0.26 -1.45 0.01 0.00 0.11 0.00 0.00 30.24 29.17 3n28 n GLN 319 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3n28 n GLN 320 N 1.05 -4.66 0.04 -1.09 6.02 -0.05 -4.83 117.38 113.87 3n28 n GLN 320 Ca 0.18 0.54 0.08 0.00 -0.01 0.00 0.00 57.00 57.79 3n28 n GLN 320 Cb 0.48 -5.19 0.33 0.00 1.02 0.00 0.00 30.24 26.89 3n28 n GLN 320 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3n28 n LYS 321 N -4.49 0.05 -3.53 -1.09 4.76 -0.57 -4.78 118.16 108.51 3n28 n LYS 321 Ca -0.10 0.33 -0.14 0.00 -2.87 0.00 0.00 58.31 55.53 3n28 n LYS 321 Cb 0.59 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 3n28 n LYS 321 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n28 s LEU 322 N -3.42 -0.52 0.46 -0.35 1.43 -1.26 -5.08 118.68 109.94 3n28 s LEU 322 Ca 0.05 0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 3n28 s LEU 322 Cb 0.08 2.25 -0.04 0.00 0.03 0.00 0.00 46.19 48.51 3n28 s LEU 322 CO 0.27 -0.54 0.79 -0.94 0.23 0.00 0.00 176.35 176.15 3n28 s SER 323 N -1.41 6.32 -0.10 2.29 1.04 -1.26 -5.00 113.70 115.58 3n28 s SER 323 Ca -0.05 0.99 -0.03 0.00 0.48 0.00 0.00 55.95 57.34 3n28 s SER 323 Cb -0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 3n28 s SER 323 CO 0.03 -0.54 0.07 -0.50 0.98 0.00 0.00 173.24 173.29 3n28 h TRP 324 N 0.47 0.00 0.00 5.02 4.06 -2.02 -3.53 115.95 119.95 3n28 h TRP 324 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 3n28 h TRP 324 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3n28 h TRP 324 CO 0.59 0.10 0.00 0.36 -3.56 0.00 0.00 178.44 175.93