#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5pal h MET 2 N 0.00 0.00 0.00 -0.52 2.86 -1.89 -2.91 114.93 112.46 5pal h MET 2 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 5pal h MET 2 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 5pal h MET 2 CO 0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 5pal n THR 3 N -3.00 0.00 0.21 2.22 -2.24 -1.26 -0.99 114.28 109.23 5pal n THR 3 Ca -0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 5pal n THR 3 Cb 0.25 -0.66 0.44 0.00 -2.10 0.00 0.00 70.33 68.26 5pal n THR 3 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 5pal h LYS 4 N 0.00 0.00 0.00 -0.78 1.57 -1.98 -3.37 116.57 112.02 5pal h LYS 4 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 5pal h LYS 4 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 5pal h LYS 4 CO 0.00 0.30 -1.10 0.28 -0.57 0.00 0.00 179.45 178.36 5pal n VAL 5 N -3.62 0.10 -4.36 0.50 0.31 -0.39 -5.08 118.33 105.79 5pal n VAL 5 Ca -0.01 -0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 63.99 5pal n VAL 5 Cb 0.42 -0.76 -0.12 0.00 -0.91 0.00 0.00 33.84 32.48 5pal n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 5pal s LEU 6 N -4.63 2.54 0.22 7.52 1.43 -0.16 -5.07 118.68 120.54 5pal s LEU 6 Ca -0.02 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 5pal s LEU 6 Cb 0.01 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.79 5pal s LEU 6 CO 0.05 0.15 1.22 -0.54 0.23 0.00 0.00 176.35 177.47 5pal s LYS 7 N -2.34 4.47 0.25 1.70 1.02 -1.26 -4.12 119.74 119.46 5pal s LYS 7 Ca 0.18 1.95 -0.03 0.00 0.02 0.00 0.00 55.97 58.09 5pal s LYS 7 Cb -0.09 -3.20 0.48 0.00 -0.52 0.00 0.00 37.83 34.49 5pal s LYS 7 CO 0.09 -0.09 1.75 0.00 -0.92 0.00 0.00 175.35 176.18 5pal h ALA 8 N 4.82 1.15 -0.08 5.17 0.00 -1.95 -1.99 119.26 126.39 5pal h ALA 8 Ca -0.45 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 5pal h ALA 8 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 5pal h ALA 8 CO 0.73 -0.13 -0.52 -0.44 0.00 0.00 0.00 179.25 178.89 5pal h ASP 9 N 0.55 0.23 -0.41 0.00 3.32 -1.99 -2.21 116.42 115.89 5pal h ASP 9 Ca 0.43 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 5pal h ASP 9 Cb 0.61 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 5pal h ASP 9 CO -0.37 0.71 -0.10 0.44 -1.72 0.00 0.00 179.24 178.20 5pal h ASP 10 N 0.16 0.86 -0.51 6.45 3.32 -1.71 -0.25 116.42 124.75 5pal h ASP 10 Ca 0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 5pal h ASP 10 Cb 0.97 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 5pal h ASP 10 CO 0.08 0.98 0.28 0.40 -1.72 0.00 0.00 179.24 179.26 5pal h ILE 11 N 0.78 1.17 -0.08 0.35 2.04 -1.02 -1.55 117.51 119.21 5pal h ILE 11 Ca 0.13 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 5pal h ILE 11 Cb 0.61 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 5pal h ILE 11 CO 0.04 0.19 -0.38 0.78 0.00 0.00 0.00 178.15 178.78 5pal h ASN 12 N 0.68 0.17 -0.34 1.72 2.35 -0.94 -1.20 115.58 118.03 5pal h ASN 12 Ca 0.18 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 5pal h ASN 12 Cb 0.05 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 5pal h ASN 12 CO -0.03 0.54 0.13 0.50 -1.65 0.00 0.00 177.43 176.92 5pal h LYS 13 N 0.14 0.51 -0.32 0.81 3.64 -0.68 -2.06 116.57 118.61 5pal h LYS 13 Ca 0.02 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 5pal h LYS 13 Cb 0.74 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 5pal h LYS 13 CO 0.06 0.52 -0.36 0.00 -2.27 0.00 0.00 179.45 177.39 5pal h ALA 14 N 0.97 0.76 -0.68 5.00 0.00 -0.95 -2.31 119.26 122.04 5pal h ALA 14 Ca 0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 5pal h ALA 14 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 5pal h ALA 14 CO -0.01 0.66 0.25 0.82 0.00 0.00 0.00 179.25 180.97 5pal h ILE 15 N 0.62 1.24 -0.47 0.00 1.08 -1.06 -2.55 117.51 116.36 5pal h ILE 15 Ca 0.06 -0.79 -0.05 0.00 -0.39 0.00 0.00 64.86 63.70 5pal h ILE 15 Cb 0.90 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 5pal h ILE 15 CO 0.08 0.31 0.11 -1.28 -0.69 0.00 0.00 178.15 176.68 5pal h SER 16 N 0.99 0.72 -0.25 1.72 0.87 -1.20 -2.65 113.55 113.76 5pal h SER 16 Ca 0.23 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 5pal h SER 16 Cb 0.23 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 5pal h SER 16 CO -0.02 0.77 0.17 0.00 -0.53 0.00 0.00 176.83 177.22 5pal h ALA 17 N 0.98 2.04 -0.50 6.23 0.00 -1.00 -2.68 119.26 124.32 5pal h ALA 17 Ca 0.15 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 5pal h ALA 17 Cb 0.33 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.87 5pal h ALA 17 CO 0.00 -0.08 -0.25 1.19 0.00 0.00 0.00 179.25 180.11 5pal n PHE 18 N -4.49 1.70 0.20 0.00 3.72 -1.09 -4.72 117.46 112.78 5pal n PHE 18 Ca 0.02 -1.95 0.06 0.00 -0.05 0.00 0.00 57.45 55.53 5pal n PHE 18 Cb 0.21 -0.53 0.39 0.00 -0.94 0.00 0.00 39.48 38.61 5pal n PHE 18 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 5pal h LYS 19 N 1.47 0.00 -5.75 -1.08 2.10 -1.12 -3.44 116.57 108.75 5pal h LYS 19 Ca 0.28 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 58.26 5pal h LYS 19 Cb 1.44 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.68 5pal h LYS 19 CO 0.59 0.35 -0.52 -0.51 -2.00 0.00 0.00 179.45 177.36 5pal s ASP 20 N -6.51 6.08 0.42 7.07 1.01 -1.26 -4.84 116.67 118.64 5pal s ASP 20 Ca -0.01 0.37 -0.26 0.00 0.71 0.00 0.00 52.55 53.36 5pal s ASP 20 Cb 0.12 -1.90 -0.09 0.00 1.01 0.00 0.00 42.92 42.06 5pal s ASP 20 CO 0.68 0.39 1.38 -2.16 0.21 0.00 0.00 175.17 175.67 5pal s PRO 21 N -1.08 3.87 0.00 8.23 0.04 -1.26 -3.30 135.00 141.50 5pal s PRO 21 Ca 0.16 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.52 5pal s PRO 21 Cb -0.12 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.67 5pal s PRO 21 CO 0.05 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.87 5pal n GLY 22 N 0.61 0.88 0.24 0.56 0.00 -1.26 -4.93 105.19 101.29 5pal n GLY 22 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 5pal n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5pal n THR 23 N -2.00 0.00 -2.14 2.61 -2.24 -1.21 -5.00 114.28 104.30 5pal n THR 23 Ca 0.00 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 5pal n THR 23 Cb 0.00 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 5pal n THR 23 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 5pal s PHE 24 N -2.63 3.11 -0.10 4.78 5.36 -1.26 -4.97 117.98 122.27 5pal s PHE 24 Ca 0.19 1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 57.51 5pal s PHE 24 Cb 0.18 -3.66 0.04 0.00 -0.34 0.00 0.00 43.02 39.24 5pal s PHE 24 CO 0.60 -1.86 0.05 0.34 -1.46 0.00 0.00 175.22 172.89 5pal s ASP 25 N -0.33 1.74 0.34 6.13 -1.08 -1.26 -5.03 116.67 117.18 5pal s ASP 25 Ca 0.51 -0.23 0.05 0.00 -0.52 0.00 0.00 52.55 52.36 5pal s ASP 25 Cb -0.39 -0.29 0.62 0.00 -1.46 0.00 0.00 42.92 41.40 5pal s ASP 25 CO 0.49 -0.26 1.87 0.10 0.52 0.00 0.00 175.17 177.89 5pal h TYR 26 N 8.38 0.49 -0.21 -5.34 -0.00 -1.99 -0.91 116.97 117.40 5pal h TYR 26 Ca -0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.73 58.50 5pal h TYR 26 Cb 1.13 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 37.71 5pal h TYR 26 CO 0.38 0.52 0.03 0.87 -0.00 0.00 0.00 178.16 179.96 5pal h LYS 27 N 0.45 0.35 -0.51 0.10 1.57 -1.96 -1.35 116.57 115.21 5pal h LYS 27 Ca 0.10 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 5pal h LYS 27 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 5pal h LYS 27 CO 0.01 0.51 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.30 5pal h ARG 28 N 0.14 0.91 -0.38 3.15 9.65 -1.94 -2.57 114.38 123.35 5pal h ARG 28 Ca 0.06 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 58.69 5pal h ARG 28 Cb 0.33 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 5pal h ARG 28 CO 0.01 0.95 0.14 0.35 2.80 0.00 0.00 179.97 184.21 5pal h PHE 29 N 0.78 0.25 0.00 2.20 3.57 -0.99 0.19 116.94 122.94 5pal h PHE 29 Ca 0.14 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 5pal h PHE 29 Cb 0.54 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 5pal h PHE 29 CO 0.04 0.11 -0.41 0.74 -2.23 0.00 0.00 178.31 176.56 5pal h PHE 30 N 0.30 0.00 -0.05 0.41 0.04 -1.13 -0.27 116.94 116.24 5pal h PHE 30 Ca 0.17 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 5pal h PHE 30 Cb 0.14 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 5pal h PHE 30 CO -0.14 0.41 -0.04 0.45 -0.60 0.00 0.00 178.31 178.39 5pal h HIS 31 N 0.00 0.13 -0.42 -0.55 3.86 -1.03 -1.93 115.15 115.21 5pal h HIS 31 Ca -0.00 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 5pal h HIS 31 Cb 0.83 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 5pal h HIS 31 CO 0.00 0.54 -0.14 -0.07 0.86 0.00 0.00 177.93 179.12 5pal h LEU 32 N -0.32 0.76 -0.01 2.43 3.38 -0.52 -2.76 115.31 118.28 5pal h LEU 32 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 5pal h LEU 32 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 5pal h LEU 32 CO 0.01 0.92 0.00 0.55 0.09 0.00 0.00 178.44 180.01 5pal n VAL 33 N -4.15 0.14 -0.95 1.22 3.14 -0.15 -4.64 118.33 112.94 5pal n VAL 33 Ca 0.01 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 5pal n VAL 33 Cb 0.38 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.61 5pal n VAL 33 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 5pal n GLY 34 N 1.36 0.63 0.19 7.55 0.00 -1.04 -4.60 105.19 109.28 5pal n GLY 34 Ca 0.07 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.44 5pal n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5pal h LEU 35 N 0.00 0.00 -9.76 0.99 5.85 -1.61 -3.44 115.31 107.34 5pal h LEU 35 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 5pal h LEU 35 Cb 0.22 0.00 0.05 0.00 0.37 0.00 0.00 40.66 41.30 5pal h LEU 35 CO 0.00 0.06 0.68 -0.54 -0.34 0.00 0.00 178.44 178.30 5pal s LYS 36 N -3.20 4.35 0.00 1.25 1.02 -1.21 -2.92 119.74 119.03 5pal s LYS 36 Ca 0.05 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.21 5pal s LYS 36 Cb 0.06 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 5pal s LYS 36 CO 0.70 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 5pal n GLY 37 N 1.88 0.54 3.92 -3.33 0.00 -1.26 -5.05 105.19 101.89 5pal n GLY 37 Ca 0.05 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 5pal n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5pal s LYS 38 N -1.24 3.31 0.94 1.61 -0.14 -1.15 -5.10 119.74 117.98 5pal s LYS 38 Ca 0.00 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 53.73 5pal s LYS 38 Cb 0.00 -2.84 0.15 0.00 -1.68 0.00 0.00 37.83 33.46 5pal s LYS 38 CO 0.00 0.46 1.09 0.95 -0.76 0.00 0.00 175.35 177.09 5pal s THR 39 N -1.90 2.48 0.31 2.17 -4.23 -1.26 -4.78 115.64 108.43 5pal s THR 39 Ca 0.34 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 5pal s THR 39 Cb -0.10 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.41 5pal s THR 39 CO 0.28 -0.20 1.95 -0.78 -0.54 0.00 0.00 174.62 175.33 5pal h ASP 40 N -1.71 0.87 0.63 3.99 3.58 -1.99 -0.76 116.42 121.02 5pal h ASP 40 Ca -0.51 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 56.77 5pal h ASP 40 Cb 1.29 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 5pal h ASP 40 CO 0.54 0.67 -0.60 0.00 -2.88 0.00 0.00 179.24 176.96 5pal h ALA 41 N 1.48 0.99 -0.23 -0.78 0.00 -1.99 -1.27 119.26 117.46 5pal h ALA 41 Ca 0.27 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 5pal h ALA 41 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 5pal h ALA 41 CO -0.05 0.75 -0.64 1.96 0.00 0.00 0.00 179.25 181.28 5pal h GLN 42 N 0.00 0.85 -0.74 0.00 4.20 -1.69 -2.54 115.11 115.20 5pal h GLN 42 Ca -0.01 -0.60 -0.04 0.00 0.06 0.00 0.00 58.65 58.07 5pal h GLN 42 Cb 1.08 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 5pal h GLN 42 CO 0.08 1.22 0.30 0.28 -0.67 0.00 0.00 178.83 180.04 5pal h VAL 43 N 0.61 1.25 0.00 -0.54 2.07 -0.94 -2.33 116.25 116.37 5pal h VAL 43 Ca -0.01 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 5pal h VAL 43 Cb 1.25 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 5pal h VAL 43 CO 0.14 0.31 -0.30 0.11 0.02 0.00 0.00 177.57 177.85 5pal h LYS 44 N 1.06 0.00 -0.43 1.57 1.57 -1.22 -0.90 116.57 118.23 5pal h LYS 44 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 5pal h LYS 44 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 5pal h LYS 44 CO -0.02 0.30 0.19 1.49 -0.57 0.00 0.00 179.45 180.84 5pal h GLU 45 N 0.00 0.63 -0.68 3.15 4.57 -0.99 -0.03 114.58 121.23 5pal h GLU 45 Ca -0.00 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 5pal h GLU 45 Cb 0.91 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 5pal h GLU 45 CO 0.04 0.57 0.22 0.28 -1.18 0.00 0.00 179.01 178.94 5pal h VAL 46 N 0.55 1.25 -0.45 0.32 2.07 -0.90 -2.67 116.25 116.43 5pal h VAL 46 Ca 0.14 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.85 5pal h VAL 46 Cb 0.16 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 5pal h VAL 46 CO -0.01 0.33 0.21 0.15 0.02 0.00 0.00 177.57 178.27 5pal h PHE 47 N 1.00 0.38 -0.59 1.57 3.57 -0.62 -1.80 116.94 120.44 5pal h PHE 47 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 5pal h PHE 47 Cb 0.28 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 5pal h PHE 47 CO 0.02 0.18 0.38 0.93 -2.23 0.00 0.00 178.31 177.59 5pal h GLU 48 N 0.41 0.78 -0.34 1.11 5.08 -0.70 -1.43 114.58 119.50 5pal h GLU 48 Ca 0.20 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 5pal h GLU 48 Cb 0.13 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 5pal h GLU 48 CO -0.16 0.53 -0.22 0.82 -1.00 0.00 0.00 179.01 178.97 5pal h ILE 49 N 0.80 1.27 0.00 3.13 2.04 -1.02 -3.16 117.51 120.57 5pal h ILE 49 Ca 0.22 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 5pal h ILE 49 Cb -0.08 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 5pal h ILE 49 CO -0.05 0.43 -0.54 -0.07 0.00 0.00 0.00 178.15 177.92 5pal h LEU 50 N 0.59 0.00 -7.80 1.44 3.38 -0.76 -3.35 115.31 108.80 5pal h LEU 50 Ca 0.08 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.42 5pal h LEU 50 Cb 0.70 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 5pal h LEU 50 CO 0.05 0.54 2.11 -0.67 0.09 0.00 0.00 178.44 180.56 5pal n ASP 51 N -3.68 4.66 -0.19 -0.43 2.03 -0.67 -4.83 116.55 113.45 5pal n ASP 51 Ca -0.01 -2.89 -0.04 0.00 0.52 0.00 0.00 54.79 52.37 5pal n ASP 51 Cb 0.59 -1.74 0.06 0.00 -0.72 0.00 0.00 41.12 39.31 5pal n ASP 51 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 5pal h LYS 52 N 7.77 0.61 -0.18 -0.67 1.57 -1.81 -1.70 116.57 122.16 5pal h LYS 52 Ca 0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 5pal h LYS 52 Cb 0.87 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.04 5pal h LYS 52 CO 1.45 0.40 0.00 -0.40 -0.57 0.00 0.00 179.45 180.33 5pal n ASP 53 N -4.80 1.44 -2.29 0.86 5.68 -1.26 -4.92 116.55 111.25 5pal n ASP 53 Ca 0.05 -1.74 -0.21 0.00 -0.50 0.00 0.00 54.79 52.40 5pal n ASP 53 Cb 0.11 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 5pal n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 5pal n GLN 54 N 0.19 -1.63 0.18 0.11 6.02 -0.64 -4.88 117.38 116.73 5pal n GLN 54 Ca 0.14 1.03 0.14 0.00 -0.01 0.00 0.00 57.00 58.30 5pal n GLN 54 Cb 0.28 -5.65 0.55 0.00 1.02 0.00 0.00 30.24 26.43 5pal n GLN 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 5pal h SER 55 N 0.00 0.00 0.00 1.08 4.64 -1.91 -3.46 113.55 113.90 5pal h SER 55 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 5pal h SER 55 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 5pal h SER 55 CO 0.58 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 5pal n GLY 56 N 0.09 0.47 3.04 -0.77 0.00 -1.26 -5.06 105.19 101.70 5pal n GLY 56 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 5pal n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5pal s PHE 57 N -2.17 0.50 -0.52 1.61 0.08 -1.26 -4.34 117.98 111.87 5pal s PHE 57 Ca 0.00 -0.66 -0.18 0.00 0.12 0.00 0.00 56.93 56.21 5pal s PHE 57 Cb 0.00 -0.32 0.08 0.00 -0.57 0.00 0.00 43.02 42.20 5pal s PHE 57 CO 0.00 -0.19 0.60 0.42 -0.10 0.00 0.00 175.22 175.96 5pal s ILE 58 N -2.11 4.93 0.90 0.64 1.01 0.49 -4.80 121.20 122.26 5pal s ILE 58 Ca -0.07 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 5pal s ILE 58 Cb -0.05 -4.32 0.13 0.00 0.01 0.00 0.00 42.46 38.23 5pal s ILE 58 CO -0.03 -0.86 1.15 -1.61 0.00 0.00 0.00 174.94 173.59 5pal s GLU 59 N 2.44 1.25 0.32 2.79 8.01 -1.26 -0.86 118.70 131.40 5pal s GLU 59 Ca 0.12 0.25 0.03 0.00 0.01 0.00 0.00 54.97 55.37 5pal s GLU 59 Cb -0.22 -1.86 0.60 0.00 -4.31 0.00 0.00 34.13 28.35 5pal s GLU 59 CO 0.09 -2.11 1.91 1.49 0.01 0.00 0.00 175.26 176.65 5pal h GLU 60 N -1.44 0.91 -0.74 1.61 4.81 -1.97 -0.03 114.58 117.73 5pal h GLU 60 Ca -0.50 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 5pal h GLU 60 Cb 1.33 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 5pal h GLU 60 CO 0.62 0.60 0.43 1.49 -0.73 0.00 0.00 179.01 181.42 5pal h GLU 61 N 0.94 1.01 0.00 1.92 4.81 -1.97 -1.43 114.58 119.86 5pal h GLU 61 Ca 0.39 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 5pal h GLU 61 Cb 0.28 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 5pal h GLU 61 CO -0.15 0.73 -0.74 0.93 -0.73 0.00 0.00 179.01 179.05 5pal h GLU 62 N 1.01 0.00 -0.47 1.92 5.08 -1.55 -3.12 114.58 117.45 5pal h GLU 62 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 5pal h GLU 62 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 5pal h GLU 62 CO -0.05 0.74 0.13 -0.07 -1.00 0.00 0.00 179.01 178.77 5pal h LEU 63 N 0.00 0.63 -1.74 1.33 3.38 -0.33 -1.75 115.31 116.84 5pal h LEU 63 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 5pal h LEU 63 Cb 1.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 5pal h LEU 63 CO 0.10 0.62 0.07 0.50 0.09 0.00 0.00 178.44 179.81 5pal h LYS 64 N 0.67 0.24 -0.59 1.13 3.64 -1.23 -2.35 116.57 118.08 5pal h LYS 64 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 5pal h LYS 64 Cb 0.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 5pal h LYS 64 CO -0.01 0.20 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 5pal n GLY 65 N -1.38 2.96 0.27 5.01 0.00 -0.68 -1.28 105.19 110.09 5pal n GLY 65 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 5pal n GLY 65 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 5pal h VAL 66 N 3.96 1.08 -0.23 1.61 3.04 -1.19 -2.12 116.25 122.38 5pal h VAL 66 Ca 0.00 -0.29 -0.10 0.00 -1.01 0.00 0.00 66.70 65.31 5pal h VAL 66 Cb 1.95 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 5pal h VAL 66 CO 0.48 0.15 -0.27 -0.07 -1.01 0.00 0.00 177.57 176.85 5pal h LEU 67 N 0.83 0.46 -1.41 3.16 3.38 -1.83 -2.00 115.31 117.91 5pal h LEU 67 Ca 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 5pal h LEU 67 Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 5pal h LEU 67 CO -0.12 0.73 0.00 0.11 0.09 0.00 0.00 178.44 179.25 5pal h LYS 68 N 0.40 0.00 0.00 1.13 1.57 -1.49 -0.46 116.57 117.73 5pal h LYS 68 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 5pal h LYS 68 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 5pal h LYS 68 CO 0.05 0.00 -0.20 0.78 -0.57 0.00 0.00 179.45 179.51 5pal h GLY 69 N 1.94 0.00 0.40 3.86 0.00 -0.93 -3.17 103.07 105.16 5pal h GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 5pal h GLY 69 CO 0.00 0.00 -2.15 0.69 0.00 0.00 0.00 176.54 175.08 5pal n PHE 70 N -3.57 0.59 -3.67 5.60 3.01 -0.30 -4.71 117.46 114.41 5pal n PHE 70 Ca -0.01 0.16 -0.12 0.00 1.01 0.00 0.00 57.45 58.49 5pal n PHE 70 Cb 0.34 -1.09 -0.08 0.00 -0.01 0.00 0.00 39.48 38.64 5pal n PHE 70 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 5pal s SER 71 N -6.35 -0.66 0.32 4.37 0.15 -0.51 -4.87 113.70 106.14 5pal s SER 71 Ca -0.19 1.20 0.24 0.00 0.70 0.00 0.00 55.95 57.89 5pal s SER 71 Cb 0.07 1.16 1.15 0.00 -1.71 0.00 0.00 66.02 66.70 5pal s SER 71 CO 0.75 -0.21 1.73 0.00 1.20 0.00 0.00 173.24 176.71 5pal h ALA 72 N 5.90 1.00 -0.00 5.45 0.00 -1.85 -1.21 119.26 128.55 5pal h ALA 72 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 5pal h ALA 72 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 5pal h ALA 72 CO 0.17 0.00 -0.07 0.72 0.00 0.00 0.00 179.25 180.07 5pal n HIS 73 N -2.33 0.00 -1.32 0.00 8.25 -1.26 -4.91 115.22 113.65 5pal n HIS 73 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.18 5pal n HIS 73 Cb 0.14 -0.35 0.17 0.00 1.12 0.00 0.00 29.99 31.07 5pal n HIS 73 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 5pal s GLY 74 N -2.76 1.57 0.40 -1.41 0.00 -0.46 -5.08 107.32 99.58 5pal s GLY 74 Ca 0.21 -0.48 0.08 0.00 0.00 0.00 0.00 44.72 44.53 5pal s GLY 74 CO 0.51 0.13 0.28 1.09 0.00 0.00 0.00 173.10 175.12 5pal s ARG 75 N -5.13 2.44 0.49 2.90 1.70 -1.26 -4.76 118.95 115.34 5pal s ARG 75 Ca 0.65 -1.60 -0.16 0.00 -0.47 0.00 0.00 55.73 54.15 5pal s ARG 75 Cb -0.16 -2.25 -0.08 0.00 -0.57 0.00 0.00 34.95 31.89 5pal s ARG 75 CO 0.56 -0.11 0.95 -0.51 -1.08 0.00 0.00 175.30 175.12 5pal s ASP 76 N -4.02 6.63 0.43 -2.89 1.01 -1.26 -4.39 116.67 112.19 5pal s ASP 76 Ca 0.44 1.52 -0.20 0.00 0.71 0.00 0.00 52.55 55.02 5pal s ASP 76 Cb -0.01 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.33 5pal s ASP 76 CO 0.26 -0.55 0.94 -0.76 0.21 0.00 0.00 175.17 175.27 5pal s LEU 77 N -3.99 3.91 0.78 1.23 1.43 -0.40 -4.96 118.68 116.68 5pal s LEU 77 Ca 0.58 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 5pal s LEU 77 Cb -0.10 -4.51 0.15 0.00 0.03 0.00 0.00 46.19 41.76 5pal s LEU 77 CO 0.30 -0.38 1.08 0.54 0.23 0.00 0.00 176.35 178.12 5pal s ASN 78 N -2.31 4.03 0.31 2.29 2.20 -1.26 -4.85 114.94 115.35 5pal s ASN 78 Ca 0.61 -0.22 0.09 0.00 -0.94 0.00 0.00 52.86 52.40 5pal s ASN 78 Cb -0.09 -0.07 0.50 0.00 -2.00 0.00 0.00 41.25 39.59 5pal s ASN 78 CO 0.16 -2.09 1.71 0.44 -2.94 0.00 0.00 177.10 174.38 5pal h ASP 79 N -0.81 0.14 -0.52 3.54 5.19 -1.99 -1.04 116.42 120.93 5pal h ASP 79 Ca -0.38 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 55.87 5pal h ASP 79 Cb 1.26 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 5pal h ASP 79 CO 0.39 0.57 -0.05 0.74 -3.12 0.00 0.00 179.24 177.77 5pal h THR 80 N 0.11 1.26 -0.32 0.35 2.02 -1.99 -0.54 112.91 113.81 5pal h THR 80 Ca 0.01 -1.18 -0.14 0.00 0.77 0.00 0.00 66.41 65.86 5pal h THR 80 Cb 0.83 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 5pal h THR 80 CO 0.06 0.42 -0.37 -0.33 0.37 0.00 0.00 175.52 175.67 5pal h GLU 81 N 0.89 0.73 -0.29 6.66 5.08 -1.81 -1.62 114.58 124.23 5pal h GLU 81 Ca 0.15 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 5pal h GLU 81 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 5pal h GLU 81 CO 0.04 0.98 -0.06 1.15 -1.00 0.00 0.00 179.01 180.12 5pal h THR 82 N 0.61 1.28 -0.78 1.13 2.02 -0.92 -2.47 112.91 113.78 5pal h THR 82 Ca 0.06 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 5pal h THR 82 Cb 0.91 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 5pal h THR 82 CO 0.08 0.34 0.44 0.11 0.37 0.00 0.00 175.52 176.86 5pal h LYS 83 N 0.32 1.08 -0.44 6.66 1.57 -1.02 -1.95 116.57 122.78 5pal h LYS 83 Ca 0.07 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 5pal h LYS 83 Cb 0.53 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 5pal h LYS 83 CO 0.03 0.78 0.05 0.00 -0.57 0.00 0.00 179.45 179.74 5pal h ALA 84 N 1.39 1.26 -0.64 3.86 0.00 -1.14 0.93 119.26 124.91 5pal h ALA 84 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 5pal h ALA 84 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 5pal h ALA 84 CO -0.05 0.51 0.08 -0.07 0.00 0.00 0.00 179.25 179.71 5pal h LEU 85 N 0.66 1.03 -0.61 0.00 3.38 -0.89 -1.38 115.31 117.51 5pal h LEU 85 Ca 0.14 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 5pal h LEU 85 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 5pal h LEU 85 CO 0.01 1.04 -0.16 -0.07 0.09 0.00 0.00 178.44 179.35 5pal h LEU 86 N 1.00 0.94 -1.01 1.67 3.38 -0.94 -0.62 115.31 119.72 5pal h LEU 86 Ca 0.19 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.90 5pal h LEU 86 Cb 0.47 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 5pal h LEU 86 CO 0.02 1.08 0.65 0.00 0.09 0.00 0.00 178.44 180.28 5pal h ALA 87 N 0.99 1.39 0.00 1.53 0.00 -0.44 -0.83 119.26 121.90 5pal h ALA 87 Ca 0.12 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 5pal h ALA 87 Cb 0.71 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 5pal h ALA 87 CO 0.05 0.47 -1.20 0.00 0.00 0.00 0.00 179.25 178.57 5pal h ALA 88 N 1.45 0.59 0.00 0.00 0.00 -1.12 -3.41 119.26 116.76 5pal h ALA 88 Ca 0.43 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 5pal h ALA 88 Cb 0.14 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 5pal h ALA 88 CO -0.16 1.19 -1.23 0.41 0.00 0.00 0.00 179.25 179.45 5pal n GLY 89 N 1.40 -0.22 3.54 0.00 0.00 -0.25 -4.87 105.19 104.79 5pal n GLY 89 Ca -0.06 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 5pal n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 5pal s ASP 90 N -2.70 6.91 0.22 1.61 2.15 -0.34 -4.81 116.67 119.71 5pal s ASP 90 Ca -0.02 -2.60 -0.08 0.00 0.43 0.00 0.00 52.55 50.27 5pal s ASP 90 Cb 0.03 -2.52 0.25 0.00 -0.30 0.00 0.00 42.92 40.37 5pal s ASP 90 CO 0.20 -1.04 1.84 0.28 -0.17 0.00 0.00 175.17 176.28 5pal h SER 91 N 7.48 0.72 -0.49 -0.34 0.02 -1.89 -2.72 113.55 116.33 5pal h SER 91 Ca 0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 5pal h SER 91 Cb 0.87 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.28 5pal h SER 91 CO 1.39 0.48 0.00 -0.90 -1.14 0.00 0.00 176.83 176.66 5pal n ASP 92 N -4.68 2.93 -2.98 3.07 5.68 -1.26 -4.97 116.55 114.33 5pal n ASP 92 Ca 0.09 -1.97 -0.21 0.00 -0.50 0.00 0.00 54.79 52.21 5pal n ASP 92 Cb 0.13 -0.33 0.01 0.00 -1.14 0.00 0.00 41.12 39.80 5pal n ASP 92 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 5pal n HIS 93 N 1.11 -1.73 1.32 2.11 8.25 -1.03 -4.87 115.22 120.38 5pal n HIS 93 Ca 0.19 0.37 0.13 0.00 -0.26 0.00 0.00 57.72 58.14 5pal n HIS 93 Cb 0.48 -3.62 0.42 0.00 1.12 0.00 0.00 29.99 28.39 5pal n HIS 93 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 5pal n ASP 94 N -2.28 1.83 0.00 0.41 5.75 -1.26 -4.94 116.55 116.06 5pal n ASP 94 Ca -0.10 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 5pal n ASP 94 Cb 0.60 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 5pal n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 5pal n GLY 95 N 1.21 0.69 3.34 6.12 0.00 -1.26 -5.04 105.19 110.24 5pal n GLY 95 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 5pal n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5pal s LYS 96 N -0.38 1.18 -0.30 1.61 -2.85 -1.26 -4.37 119.74 113.37 5pal s LYS 96 Ca 0.00 -1.24 -0.09 0.00 -1.00 0.00 0.00 55.97 53.63 5pal s LYS 96 Cb 0.00 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 5pal s LYS 96 CO 0.00 -0.43 0.14 0.42 0.10 0.00 0.00 175.35 175.58 5pal s ILE 97 N -4.00 4.59 0.77 3.79 -1.09 -0.04 -4.78 121.20 120.45 5pal s ILE 97 Ca 0.20 -0.35 -0.08 0.00 -2.23 0.00 0.00 60.65 58.19 5pal s ILE 97 Cb 0.04 -3.30 0.10 0.00 -1.58 0.00 0.00 42.46 37.71 5pal s ILE 97 CO 0.02 0.12 1.09 -0.83 -1.23 0.00 0.00 174.94 174.11 5pal s GLY 98 N 1.62 1.71 0.18 6.18 0.00 -1.26 -0.38 107.32 115.37 5pal s GLY 98 Ca 0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 5pal s GLY 98 CO 0.06 -0.57 1.84 0.00 0.00 0.00 0.00 173.10 174.43 5pal h ALA 99 N -0.84 0.69 0.00 3.20 0.00 -1.99 -0.14 119.26 120.17 5pal h ALA 99 Ca -0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 5pal h ALA 99 Cb 1.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 5pal h ALA 99 CO 0.53 0.11 -0.37 -0.44 0.00 0.00 0.00 179.25 179.09 5pal h ASP 100 N 0.72 0.00 -0.55 0.00 3.32 -1.97 -1.22 116.42 116.71 5pal h ASP 100 Ca 0.20 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 5pal h ASP 100 Cb -0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 5pal h ASP 100 CO -0.05 0.37 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.45 5pal h GLU 101 N 0.00 1.02 -0.37 3.56 5.08 -1.75 -1.73 114.58 120.38 5pal h GLU 101 Ca -0.00 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 5pal h GLU 101 Cb 1.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 5pal h GLU 101 CO 0.05 1.04 0.12 0.35 -1.00 0.00 0.00 179.01 179.57 5pal h PHE 102 N 0.90 0.60 -0.62 4.33 3.57 -0.80 -1.48 116.94 123.43 5pal h PHE 102 Ca 0.15 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 5pal h PHE 102 Cb 0.62 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 5pal h PHE 102 CO 0.04 0.57 0.38 0.00 -2.23 0.00 0.00 178.31 177.07 5pal h ALA 103 N 0.96 1.50 -0.41 2.41 0.00 -1.11 -1.90 119.26 120.71 5pal h ALA 103 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 5pal h ALA 103 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 5pal h ALA 103 CO -0.00 0.44 0.09 -0.22 0.00 0.00 0.00 179.25 179.55 5pal h LYS 104 N 0.85 0.67 -0.66 0.00 3.64 -0.84 -1.05 116.57 119.18 5pal h LYS 104 Ca 0.23 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 5pal h LYS 104 Cb -0.05 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 5pal h LYS 104 CO -0.04 0.70 0.43 0.52 -2.27 0.00 0.00 179.45 178.78 5pal h MET 105 N 0.53 0.84 -0.73 1.90 2.86 -0.77 -0.36 114.93 119.20 5pal h MET 105 Ca 0.13 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 5pal h MET 105 Cb 0.34 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 5pal h MET 105 CO 0.00 0.55 0.24 0.28 1.06 0.00 0.00 176.91 179.05 5pal h VAL 106 N 0.86 1.26 -0.44 -2.22 2.07 -1.20 -2.72 116.25 113.85 5pal h VAL 106 Ca 0.25 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 5pal h VAL 106 Cb -0.06 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 5pal h VAL 106 CO -0.07 0.34 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 5pal h ALA 107 N 1.19 1.16 -0.00 1.67 0.00 -0.15 -2.97 119.26 120.16 5pal h ALA 107 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 5pal h ALA 107 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 5pal h ALA 107 CO -0.01 0.54 -0.17 0.00 0.00 0.00 0.00 179.25 179.61 5pal n GLN 108 N -4.22 0.68 0.00 0.00 10.64 -0.25 -5.10 117.38 119.14 5pal n GLN 108 Ca 0.02 -0.30 0.04 0.00 -1.83 0.00 0.00 57.00 54.94 5pal n GLN 108 Cb 0.29 -1.49 0.26 0.00 -0.86 0.00 0.00 30.24 28.44 5pal n GLN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23