#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9x h ARG 3 N 0.00 0.08 0.81 -3.83 2.43 -1.95 -1.68 114.38 110.25 3h9x h ARG 3 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3h9x h ARG 3 Cb 0.00 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3h9x h ARG 3 CO 0.00 0.06 -0.39 0.37 -1.51 0.00 0.00 179.97 178.50 3h9x h GLN 4 N 0.09 -1.05 -0.58 0.20 -0.00 -2.05 -2.58 115.11 109.14 3h9x h GLN 4 Ca 0.41 0.07 0.15 0.00 -0.00 0.00 0.00 58.65 59.28 3h9x h GLN 4 Cb 0.72 0.24 -0.03 0.00 0.00 0.00 0.00 27.48 28.41 3h9x h GLN 4 CO -0.69 -0.69 0.41 1.96 0.00 0.00 0.00 178.83 179.82 3h9x h GLN 5 N -1.16 0.11 0.51 1.69 4.20 -1.91 -2.34 115.11 116.21 3h9x h GLN 5 Ca -0.11 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3h9x h GLN 5 Cb 0.84 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.60 3h9x h GLN 5 CO 0.18 0.08 -0.25 0.35 -0.67 0.00 0.00 178.83 178.52 3h9x h PHE 6 N 0.12 -0.64 -0.22 2.96 3.04 -1.21 -1.33 116.94 119.66 3h9x h PHE 6 Ca 0.28 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.28 3h9x h PHE 6 Cb 0.94 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 3h9x h PHE 6 CO -0.00 -0.36 0.20 -0.84 -2.02 0.00 0.00 178.31 175.29 3h9x h ILE 7 N -1.14 0.62 -0.04 1.41 -0.00 -1.15 -0.76 117.51 116.44 3h9x h ILE 7 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.74 3h9x h ILE 7 Cb 0.56 0.85 0.00 0.00 -0.00 0.00 0.00 36.82 38.23 3h9x h ILE 7 CO 0.12 0.00 -0.18 0.44 -0.00 0.00 0.00 178.15 178.52 3h9x h ASP 8 N 0.00 0.24 -0.97 2.16 3.45 -1.43 -2.67 116.42 117.19 3h9x h ASP 8 Ca 0.11 -0.65 0.08 0.00 0.43 0.00 0.00 57.03 56.99 3h9x h ASP 8 Cb 0.51 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 39.14 3h9x h ASP 8 CO -0.00 0.85 0.63 0.22 -1.57 0.00 0.00 179.24 179.36 3h9x h TYR 9 N -0.36 1.14 -0.71 4.55 5.03 0.04 -1.88 116.97 124.78 3h9x h TYR 9 Ca -0.01 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 3h9x h TYR 9 Cb 0.84 -0.37 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 3h9x h TYR 9 CO 0.14 0.57 0.16 0.00 -1.32 0.00 0.00 178.16 177.71 3h9x h ALA 10 N 1.49 0.94 -0.57 1.82 0.00 -1.37 0.70 119.26 122.27 3h9x h ALA 10 Ca 0.43 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3h9x h ALA 10 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3h9x h ALA 10 CO -0.18 0.67 0.12 0.37 0.00 0.00 0.00 179.25 180.23 3h9x h GLN 11 N 1.08 0.88 0.00 0.00 5.75 -1.00 -1.38 115.11 120.44 3h9x h GLN 11 Ca 0.22 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 3h9x h GLN 11 Cb 0.39 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3h9x h GLN 11 CO 0.00 0.80 -0.48 0.87 -2.65 0.00 0.00 178.83 177.38 3h9x h LYS 12 N 0.84 0.00 0.00 1.69 1.79 -1.16 -0.60 116.57 119.13 3h9x h LYS 12 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3h9x h LYS 12 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3h9x h LYS 12 CO 0.00 0.69 0.00 1.63 -1.08 0.00 0.00 179.45 180.69 3h9x n LYS 13 N -4.58 0.13 0.00 3.15 4.76 0.22 -3.88 118.16 117.95 3h9x n LYS 13 Ca -0.15 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 3h9x n LYS 13 Cb 0.43 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 3h9x n LYS 13 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3h9x n TYR 14 N -1.97 0.00 -3.65 2.13 4.01 -0.57 -5.03 117.16 112.09 3h9x n TYR 14 Ca 0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 3h9x n TYR 14 Cb 0.25 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.34 3h9x n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h9x n ASP 15 N -0.09 -5.01 -4.58 7.72 -0.08 -0.23 -4.97 116.55 109.31 3h9x n ASP 15 Ca 0.00 -0.62 -0.34 0.00 -1.51 0.00 0.00 54.79 52.32 3h9x n ASP 15 Cb 0.00 -4.74 -0.11 0.00 2.34 0.00 0.00 41.12 38.61 3h9x n ASP 15 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3h9x s THR 16 N -3.35 4.08 -0.15 5.18 2.01 -1.18 -4.98 115.64 117.25 3h9x s THR 16 Ca 0.47 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 3h9x s THR 16 Cb -0.22 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 3h9x s THR 16 CO 0.76 0.54 0.34 -0.75 -0.69 0.00 0.00 174.62 174.81 3h9x s LYS 17 N -0.17 4.27 0.31 4.92 2.36 -1.26 -3.91 119.74 126.27 3h9x s LYS 17 Ca 0.04 0.17 -0.29 0.00 -2.55 0.00 0.00 55.97 53.34 3h9x s LYS 17 Cb -0.13 -3.44 -0.11 0.00 -1.05 0.00 0.00 37.83 33.11 3h9x s LYS 17 CO 0.02 0.20 1.50 -1.25 1.55 0.00 0.00 175.35 177.38 3h9x s PRO 18 N 0.56 4.17 0.14 4.03 0.04 -1.26 -4.84 135.00 137.84 3h9x s PRO 18 Ca 0.19 2.49 0.06 0.00 0.04 0.00 0.00 61.00 63.77 3h9x s PRO 18 Cb -0.13 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3h9x s PRO 18 CO 0.05 -0.52 0.02 -0.51 0.04 0.00 0.00 177.00 176.09 3h9x s ASP 19 N 0.17 4.97 -0.49 6.66 1.01 -0.67 -4.95 116.67 123.38 3h9x s ASP 19 Ca 0.58 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.60 3h9x s ASP 19 Cb -0.45 -1.14 0.16 0.00 1.01 0.00 0.00 42.92 42.49 3h9x s ASP 19 CO 0.52 0.12 0.33 -1.00 0.21 0.00 0.00 175.17 175.36 3h9x s HIS 20 N -1.57 1.99 0.24 4.23 3.76 -1.26 -0.99 115.29 121.70 3h9x s HIS 20 Ca 0.27 -2.56 -0.05 0.00 -0.15 0.00 0.00 55.06 52.56 3h9x s HIS 20 Cb -0.10 -1.70 0.25 0.00 1.11 0.00 0.00 32.58 32.14 3h9x s HIS 20 CO 0.19 -0.74 1.82 -1.35 -0.85 0.00 0.00 174.74 173.81 3h9x h PRO 21 N 6.06 1.11 -5.66 8.40 0.11 -1.92 -3.42 132.00 136.67 3h9x h PRO 21 Ca 0.13 -0.18 -0.60 0.00 0.11 0.00 0.00 66.00 65.45 3h9x h PRO 21 Cb 0.88 -0.19 -0.10 0.00 0.11 0.00 0.00 31.00 31.70 3h9x h PRO 21 CO 0.49 0.89 0.33 -1.58 -0.21 0.00 0.00 178.00 177.91 3h9x s TRP 22 N -5.55 3.29 0.13 0.65 0.51 -1.26 -4.94 118.94 111.77 3h9x s TRP 22 Ca -0.12 0.96 -0.10 0.00 -2.12 0.00 0.00 56.10 54.73 3h9x s TRP 22 Cb 0.16 -2.97 -0.08 0.00 -0.81 0.00 0.00 33.47 29.77 3h9x s TRP 22 CO 0.83 -0.38 1.38 1.05 -0.51 0.00 0.00 176.95 179.31 3h9x h GLU 23 N 7.81 0.76 -0.00 4.98 9.09 -1.99 -3.10 114.58 132.13 3h9x h GLU 23 Ca -0.25 -0.55 -0.05 0.00 0.05 0.00 0.00 59.36 58.56 3h9x h GLU 23 Cb 1.11 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 3h9x h GLU 23 CO 0.83 1.17 -0.21 0.87 0.05 0.00 0.00 179.01 181.72 3h9x h LYS 24 N 0.55 0.01 -3.32 1.06 1.57 -1.98 -3.36 116.57 111.10 3h9x h LYS 24 Ca -0.02 -0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.12 3h9x h LYS 24 Cb 1.27 -0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.17 3h9x h LYS 24 CO 0.14 0.22 -0.63 -0.06 -0.57 0.00 0.00 179.45 178.54 3h9x s PHE 25 N -4.56 3.12 0.57 -1.35 0.40 -1.17 -4.96 117.98 110.03 3h9x s PHE 25 Ca -0.04 -3.14 0.26 0.00 -0.60 0.00 0.00 56.93 53.42 3h9x s PHE 25 Cb 0.15 -2.73 1.61 0.00 0.51 0.00 0.00 43.02 42.57 3h9x s PHE 25 CO 0.70 -0.72 2.15 -1.35 0.70 0.00 0.00 175.22 176.70 3h9x h PRO 26 N 6.39 0.00 0.03 0.24 0.11 -1.72 -2.89 132.00 134.15 3h9x h PRO 26 Ca -0.05 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.87 3h9x h PRO 26 Cb 0.88 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.01 3h9x h PRO 26 CO 0.68 0.00 -0.75 -0.44 -0.21 0.00 0.00 178.00 177.27 3h9x h ASP 27 N 0.00 0.61 -2.12 -2.05 3.45 -1.92 -3.45 116.42 110.94 3h9x h ASP 27 Ca 0.06 -0.79 -0.61 0.00 0.43 0.00 0.00 57.03 56.12 3h9x h ASP 27 Cb 0.28 -0.19 0.05 0.00 -0.56 0.00 0.00 39.33 38.91 3h9x h ASP 27 CO -0.00 1.33 0.85 -1.22 -1.57 0.00 0.00 179.24 178.63 3h9x n TYR 28 N -4.11 2.21 -4.06 4.55 0.53 -1.09 -4.79 117.16 110.39 3h9x n TYR 28 Ca -0.11 0.24 -0.17 0.00 -1.02 0.00 0.00 57.90 56.84 3h9x n TYR 28 Cb 0.75 -2.55 -0.16 0.00 -1.03 0.00 0.00 39.34 36.35 3h9x n TYR 28 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3h9x s ALA 29 N 1.82 0.42 0.16 -0.72 0.00 0.47 -4.61 121.76 119.31 3h9x s ALA 29 Ca 0.84 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.84 3h9x s ALA 29 Cb -0.72 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3h9x s ALA 29 CO 0.43 0.01 0.05 0.14 0.00 0.00 0.00 175.76 176.39 3h9x s VAL 30 N 0.56 4.02 -0.16 0.00 -7.23 -0.16 0.29 120.40 117.72 3h9x s VAL 30 Ca -0.06 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 3h9x s VAL 30 Cb -0.09 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.85 3h9x s VAL 30 CO -0.01 -0.08 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.22 3h9x s PHE 31 N -1.68 2.17 0.34 2.82 0.40 0.34 -1.67 117.98 120.71 3h9x s PHE 31 Ca 0.28 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.39 3h9x s PHE 31 Cb -0.10 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 3h9x s PHE 31 CO 0.20 -0.67 0.13 -0.98 0.70 0.00 0.00 175.22 174.60 3h9x s ARG 32 N 1.49 1.72 0.34 0.44 3.03 -1.26 -0.14 118.95 124.57 3h9x s ARG 32 Ca 0.04 -2.00 -0.12 0.00 2.03 0.00 0.00 55.73 55.67 3h9x s ARG 32 Cb -0.13 -0.39 -0.08 0.00 -1.03 0.00 0.00 34.95 33.32 3h9x s ARG 32 CO -0.10 -0.42 0.71 -1.01 -1.13 0.00 0.00 175.30 173.35 3h9x s HIS 33 N -3.42 3.42 -0.27 5.89 3.76 -1.06 -4.92 115.29 118.69 3h9x s HIS 33 Ca 0.32 1.08 0.25 0.00 -0.15 0.00 0.00 55.06 56.56 3h9x s HIS 33 Cb 0.05 -2.44 0.61 0.00 1.11 0.00 0.00 32.58 31.91 3h9x s HIS 33 CO 0.16 0.04 1.71 1.03 -0.85 0.00 0.00 174.74 176.83 3h9x h SER 34 N 1.88 0.00 0.00 1.40 0.87 -1.97 -2.22 113.55 113.51 3h9x h SER 34 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3h9x h SER 34 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3h9x h SER 34 CO 0.65 0.03 0.00 0.47 -0.53 0.00 0.00 176.83 177.45 3h9x n ASP 35 N -3.11 0.00 -0.39 6.23 8.00 -1.26 -4.46 116.55 121.56 3h9x n ASP 35 Ca 0.03 0.08 0.13 0.00 0.71 0.00 0.00 54.79 55.73 3h9x n ASP 35 Cb 0.48 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 42.12 3h9x n ASP 35 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3h9x n ASN 36 N -0.12 1.20 -2.20 -2.24 0.23 -1.26 -4.93 115.26 105.94 3h9x n ASN 36 Ca 0.00 -1.48 -0.21 0.00 -0.53 0.00 0.00 54.58 52.36 3h9x n ASN 36 Cb 0.00 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 3h9x n ASN 36 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3h9x n ASP 37 N -0.03 -5.76 -4.71 0.53 10.43 -0.83 -4.94 116.55 111.24 3h9x n ASP 37 Ca 0.18 0.12 -0.40 0.00 2.57 0.00 0.00 54.79 57.26 3h9x n ASP 37 Cb 0.29 -4.86 -0.04 0.00 1.84 0.00 0.00 41.12 38.34 3h9x n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3h9x s LYS 38 N -4.72 4.42 0.25 -1.24 1.02 -1.26 -4.73 119.74 113.48 3h9x s LYS 38 Ca 0.00 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 3h9x s LYS 38 Cb 0.00 -3.47 -0.10 0.00 -0.52 0.00 0.00 37.83 33.74 3h9x s LYS 38 CO 0.00 -0.02 1.32 -1.58 -0.92 0.00 0.00 175.35 174.14 3h9x s TRP 39 N 1.09 3.17 0.00 3.18 0.52 -1.26 -2.56 118.94 123.07 3h9x s TRP 39 Ca 0.39 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.79 3h9x s TRP 39 Cb -0.18 -3.64 0.00 0.00 -1.15 0.00 0.00 33.47 28.50 3h9x s TRP 39 CO 0.18 -1.92 0.31 2.48 0.02 0.00 0.00 176.95 178.02 3h9x n TYR 40 N 1.90 0.00 -3.64 -1.98 0.18 0.81 -4.95 117.16 109.49 3h9x n TYR 40 Ca 0.04 -0.03 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 3h9x n TYR 40 Cb 0.42 -0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.31 3h9x n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3h9x s ALA 41 N -0.06 -1.96 -0.25 -3.48 0.00 -1.16 -4.31 121.76 110.54 3h9x s ALA 41 Ca 0.00 2.36 0.01 0.00 0.00 0.00 0.00 51.96 54.33 3h9x s ALA 41 Cb 0.00 -1.48 0.07 0.00 0.00 0.00 0.00 23.12 21.71 3h9x s ALA 41 CO 0.00 -0.37 -0.05 -1.17 0.00 0.00 0.00 175.76 174.17 3h9x s LEU 42 N 1.50 2.88 0.33 0.00 0.20 -0.24 -0.51 118.68 122.85 3h9x s LEU 42 Ca -0.09 -1.32 -0.02 0.00 0.69 0.00 0.00 54.13 53.39 3h9x s LEU 42 Cb -0.05 -1.26 -0.04 0.00 -0.43 0.00 0.00 46.19 44.41 3h9x s LEU 42 CO -0.18 -0.25 0.56 -0.22 -0.29 0.00 0.00 176.35 175.97 3h9x s LEU 43 N 1.32 4.01 -0.22 -0.68 2.96 0.15 -0.01 118.68 126.21 3h9x s LEU 43 Ca -0.04 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3h9x s LEU 43 Cb -0.19 -3.42 0.11 0.00 0.50 0.00 0.00 46.19 43.19 3h9x s LEU 43 CO -0.07 -0.27 0.26 -0.62 -1.32 0.00 0.00 176.35 174.33 3h9x s ASP 45 N -3.72 1.13 0.22 3.68 2.15 -1.26 -0.39 116.67 118.48 3h9x s ASP 45 Ca 0.42 -0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.29 3h9x s ASP 45 Cb -0.10 0.56 -0.05 0.00 -0.30 0.00 0.00 42.92 43.03 3h9x s ASP 45 CO 0.34 -0.32 -0.04 0.27 -0.17 0.00 0.00 175.17 175.25 3h9x s ILE 46 N 2.38 1.22 0.09 4.11 -4.36 0.24 -4.93 121.20 119.96 3h9x s ILE 46 Ca 0.08 -2.07 -0.31 0.00 -0.26 0.00 0.00 60.65 58.10 3h9x s ILE 46 Cb -0.16 -2.24 -0.08 0.00 1.25 0.00 0.00 42.46 41.24 3h9x s ILE 46 CO -0.14 -0.43 1.47 -2.84 0.24 0.00 0.00 174.94 173.24 3h9x s PRO 47 N -3.80 4.27 0.33 0.37 0.02 -1.26 0.28 135.00 135.22 3h9x s PRO 47 Ca 0.26 2.15 0.12 0.00 0.02 0.00 0.00 61.00 63.54 3h9x s PRO 47 Cb 0.04 -3.36 1.03 0.00 0.02 0.00 0.00 34.50 32.23 3h9x s PRO 47 CO 0.07 -0.54 1.64 0.00 -0.33 0.00 0.00 177.00 177.84 3h9x h ALA 48 N 7.26 1.79 -0.59 -1.55 0.00 -0.78 -1.50 119.26 123.89 3h9x h ALA 48 Ca -0.41 0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3h9x h ALA 48 Cb 1.20 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 3h9x h ALA 48 CO 0.89 -0.62 0.14 1.05 0.00 0.00 0.00 179.25 180.71 3h9x h GLU 49 N 0.22 0.27 -0.05 0.00 4.11 -1.65 -2.55 114.58 114.92 3h9x h GLU 49 Ca 0.71 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 60.13 3h9x h GLU 49 Cb 1.62 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 3h9x h GLU 49 CO -0.67 0.18 0.71 0.87 0.07 0.00 0.00 179.01 180.16 3h9x h LYS 50 N 0.27 0.00 0.00 1.06 1.79 -1.55 0.65 116.57 118.79 3h9x h LYS 50 Ca 0.31 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.75 3h9x h LYS 50 Cb 0.44 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 3h9x h LYS 50 CO -0.38 0.00 -0.47 0.44 -1.08 0.00 0.00 179.45 177.96 3h9x n ILE 51 N -2.72 1.64 0.00 1.86 -5.35 -0.97 -5.01 119.36 108.81 3h9x n ILE 51 Ca 0.00 -2.44 0.00 0.00 -0.27 0.00 0.00 62.75 60.04 3h9x n ILE 51 Cb 0.74 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 3h9x n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h9x n GLY 52 N -0.87 2.77 3.73 3.28 0.00 0.22 -4.94 105.19 109.38 3h9x n GLY 52 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3h9x n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h9x s ILE 53 N -1.20 3.52 0.00 -0.61 1.10 -1.18 -4.91 121.20 117.93 3h9x s ILE 53 Ca 0.00 1.21 0.00 0.00 -0.51 0.00 0.00 60.65 61.35 3h9x s ILE 53 Cb 0.00 -3.77 0.00 0.00 0.15 0.00 0.00 42.46 38.84 3h9x s ILE 53 CO 0.00 0.16 0.00 -0.46 -2.11 0.00 0.00 174.94 172.53 3h9x n ASN 54 N 3.00 0.00 -0.91 4.50 0.23 -1.26 -2.11 115.26 118.71 3h9x n ASN 54 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 3h9x n ASN 54 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3h9x n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h9x n GLY 55 N 4.49 -4.14 2.68 4.83 0.00 -1.26 -4.59 105.19 107.20 3h9x n GLY 55 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3h9x n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h9x n ASP 56 N -0.10 4.78 -4.23 1.61 4.64 -1.26 -4.57 116.55 117.41 3h9x n ASP 56 Ca 0.00 -2.75 -0.13 0.00 -1.38 0.00 0.00 54.79 50.53 3h9x n ASP 56 Cb 0.00 -1.57 -0.10 0.00 -1.04 0.00 0.00 41.12 38.41 3h9x n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 3h9x s LYS 57 N 3.18 1.04 0.39 -0.67 -2.85 -1.26 -5.05 119.74 114.51 3h9x s LYS 57 Ca 0.53 -1.47 0.04 0.00 -1.00 0.00 0.00 55.97 54.07 3h9x s LYS 57 Cb 0.15 -0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 35.50 3h9x s LYS 57 CO -0.06 -0.02 0.55 1.03 0.10 0.00 0.00 175.35 176.95 3h9x s ARG 58 N -3.83 3.06 0.01 1.78 1.81 -1.26 -0.12 118.95 120.41 3h9x s ARG 58 Ca 0.19 -0.83 -0.07 0.00 -1.72 0.00 0.00 55.73 53.29 3h9x s ARG 58 Cb 0.05 -2.72 -0.00 0.00 -0.45 0.00 0.00 34.95 31.83 3h9x s ARG 58 CO 0.01 -0.10 0.13 0.14 -0.68 0.00 0.00 175.30 174.81 3h9x s VAL 59 N -2.33 0.09 -0.21 3.52 -7.23 0.14 -4.65 120.40 109.73 3h9x s VAL 59 Ca 0.47 -0.78 -0.06 0.00 -1.81 0.00 0.00 61.98 59.80 3h9x s VAL 59 Cb -0.10 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 3h9x s VAL 59 CO 0.34 -0.43 0.03 -1.81 -0.31 0.00 0.00 175.10 172.92 3h9x s ASP 60 N -1.58 5.06 0.15 4.85 1.11 -1.26 -0.59 116.67 124.41 3h9x s ASP 60 Ca -0.12 -0.16 0.06 0.00 0.18 0.00 0.00 52.55 52.50 3h9x s ASP 60 Cb -0.06 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 3h9x s ASP 60 CO 0.00 0.05 -0.13 0.68 1.18 0.00 0.00 175.17 176.95 3h9x s VAL 61 N 1.12 1.33 -0.01 -1.27 -7.23 -1.26 -0.43 120.40 112.66 3h9x s VAL 61 Ca 0.03 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 3h9x s VAL 61 Cb -0.14 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 3h9x s VAL 61 CO 0.02 -0.58 -0.18 0.27 -0.31 0.00 0.00 175.10 174.33 3h9x s ILE 62 N -2.74 1.43 -0.17 -0.62 -4.36 -0.19 -4.34 121.20 110.20 3h9x s ILE 62 Ca 0.14 -0.81 -0.07 0.00 -0.26 0.00 0.00 60.65 59.65 3h9x s ILE 62 Cb -0.01 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 3h9x s ILE 62 CO 0.03 0.37 0.06 -1.81 0.24 0.00 0.00 174.94 173.83 3h9x s ASP 63 N -0.51 5.62 0.09 4.36 1.11 0.99 -0.33 116.67 127.99 3h9x s ASP 63 Ca 0.07 0.10 0.07 0.00 0.18 0.00 0.00 52.55 52.97 3h9x s ASP 63 Cb -0.07 -1.93 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 3h9x s ASP 63 CO -0.00 0.20 -0.18 -0.76 1.18 0.00 0.00 175.17 175.60 3h9x s LEU 64 N 0.21 2.28 -0.03 1.23 1.02 -0.45 -1.07 118.68 121.87 3h9x s LEU 64 Ca 0.04 -0.65 -0.15 0.00 0.02 0.00 0.00 54.13 53.39 3h9x s LEU 64 Cb -0.12 -0.74 -0.05 0.00 0.02 0.00 0.00 46.19 45.29 3h9x s LEU 64 CO 0.00 0.01 0.42 -0.75 0.02 0.00 0.00 176.35 176.05 3h9x s LYS 65 N -1.79 4.02 0.29 1.70 2.20 -1.26 -1.26 119.74 123.64 3h9x s LYS 65 Ca 0.03 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 56.07 3h9x s LYS 65 Cb -0.10 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3h9x s LYS 65 CO 0.03 0.56 0.16 0.14 -0.36 0.00 0.00 175.35 175.89 3h9x s VAL 66 N -0.67 0.27 0.02 4.02 -7.23 -0.32 -3.42 120.40 113.08 3h9x s VAL 66 Ca 0.24 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 3h9x s VAL 66 Cb -0.16 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3h9x s VAL 66 CO 0.12 0.00 1.03 -1.10 -0.31 0.00 0.00 175.10 174.84 3h9x s GLN 67 N -3.84 4.54 0.56 4.82 -0.21 -1.26 -4.73 119.66 119.54 3h9x s GLN 67 Ca 0.37 1.50 0.43 0.00 0.02 0.00 0.00 55.36 57.67 3h9x s GLN 67 Cb 0.05 -3.43 1.60 0.00 1.00 0.00 0.00 33.01 32.24 3h9x s GLN 67 CO 0.17 -0.08 1.66 -1.00 -2.12 0.00 0.00 175.29 173.93 3h9x h PRO 68 N 6.70 0.00 -0.00 2.91 0.13 -1.90 0.46 132.00 140.30 3h9x h PRO 68 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3h9x h PRO 68 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h9x h PRO 68 CO 0.76 0.00 -0.02 -0.85 -0.23 0.00 0.00 178.00 177.66 3h9x n GLU 69 N -3.98 0.69 -0.00 0.86 0.00 -1.26 -3.44 120.64 113.50 3h9x n GLU 69 Ca 0.34 -0.07 0.07 0.00 0.00 0.00 0.00 57.16 57.50 3h9x n GLU 69 Cb 1.63 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 31.49 3h9x n GLU 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3h9x n LEU 70 N -1.10 0.40 -0.37 -1.84 4.77 0.16 -4.57 117.00 114.44 3h9x n LEU 70 Ca 0.18 -0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 3h9x n LEU 70 Cb 0.21 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3h9x n LEU 70 CO 0.21 0.10 1.29 0.58 -1.33 0.00 0.00 177.39 178.24 3h9x h VAL 71 N 0.00 1.22 -0.28 4.08 2.07 -1.57 0.13 116.25 121.91 3h9x h VAL 71 Ca 0.00 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3h9x h VAL 71 Cb 0.43 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3h9x h VAL 71 CO 0.00 0.24 0.10 1.23 0.02 0.00 0.00 177.57 179.16 3h9x h GLY 72 N 1.31 0.46 0.98 2.17 0.00 -1.81 -2.16 103.07 104.03 3h9x h GLY 72 Ca 0.38 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 3h9x h GLY 72 CO -0.10 0.24 -0.48 1.48 0.00 0.00 0.00 176.54 177.68 3h9x h SER 73 N 0.30 0.75 0.23 0.19 4.64 -1.77 -3.27 113.55 114.61 3h9x h SER 73 Ca 0.09 -0.57 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3h9x h SER 73 Cb 0.21 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3h9x h SER 73 CO -0.01 1.19 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.96 3h9x h LEU 74 N 0.34 -0.26 -1.43 5.97 4.07 -1.01 -2.42 115.31 120.57 3h9x h LEU 74 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3h9x h LEU 74 Cb 1.09 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3h9x h LEU 74 CO 0.10 -0.16 0.36 0.03 -1.08 0.00 0.00 178.44 177.70 3h9x h ARG 75 N -0.35 0.00 0.00 1.13 3.08 -1.46 0.41 114.38 117.19 3h9x h ARG 75 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h9x h ARG 75 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3h9x h ARG 75 CO 0.05 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.82 3h9x h LYS 76 N 0.00 0.00 -7.28 0.04 1.57 -1.48 -3.44 116.57 105.99 3h9x h LYS 76 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3h9x h LYS 76 Cb 0.73 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.13 3h9x h LYS 76 CO 0.00 0.00 0.37 0.15 -0.57 0.00 0.00 179.45 179.40 3h9x s LYS 77 N -3.24 3.01 0.02 3.15 1.02 0.14 -4.99 119.74 118.86 3h9x s LYS 77 Ca 0.07 1.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 3h9x s LYS 77 Cb 0.05 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 3h9x s LYS 77 CO 0.66 -1.05 0.97 -1.25 -0.92 0.00 0.00 175.35 173.76 3h9x s PRO 78 N -4.63 4.59 0.00 -1.68 0.04 -1.26 -3.38 135.00 128.68 3h9x s PRO 78 Ca 0.61 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3h9x s PRO 78 Cb -0.15 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3h9x s PRO 78 CO 0.48 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.94 3h9x n GLY 79 N 2.76 1.08 3.44 0.56 0.00 -1.26 -4.18 105.19 107.58 3h9x n GLY 79 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3h9x n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h9x s ILE 80 N -2.25 3.70 0.42 -0.61 1.01 -1.22 -0.88 121.20 121.37 3h9x s ILE 80 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3h9x s ILE 80 Cb 0.00 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3h9x s ILE 80 CO 0.00 0.47 0.05 -0.31 0.00 0.00 0.00 174.94 175.15 3h9x s TYR 81 N 0.67 2.00 0.47 3.97 1.51 -0.06 -4.68 117.35 121.24 3h9x s TYR 81 Ca -0.03 -0.98 -0.23 0.00 -1.01 0.00 0.00 57.07 54.82 3h9x s TYR 81 Cb -0.15 -1.46 -0.07 0.00 -0.11 0.00 0.00 41.96 40.17 3h9x s TYR 81 CO 0.02 0.10 1.26 -2.14 -1.11 0.00 0.00 175.55 173.68 3h9x s PRO 82 N -3.80 3.62 0.12 -1.71 0.02 -1.26 -2.07 135.00 129.92 3h9x s PRO 82 Ca 0.23 2.02 -0.35 0.00 0.02 0.00 0.00 61.00 62.91 3h9x s PRO 82 Cb 0.05 -2.45 -0.15 0.00 0.02 0.00 0.00 34.50 31.97 3h9x s PRO 82 CO 0.12 -0.74 1.45 0.00 -0.33 0.00 0.00 177.00 177.50 3h9x n ALA 83 N -0.50 0.14 -2.94 -1.55 0.00 -1.25 -4.31 120.51 110.10 3h9x n ALA 83 Ca 0.07 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.65 3h9x n ALA 83 Cb 0.46 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.59 3h9x n ALA 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3h9x s TYR 84 N 0.66 3.13 -1.00 0.00 5.04 -1.26 -4.70 117.35 119.20 3h9x s TYR 84 Ca 0.81 -0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 3h9x s TYR 84 Cb -0.82 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 39.40 3h9x s TYR 84 CO 0.43 -0.08 0.78 0.72 -1.34 0.00 0.00 175.55 176.06 3h9x n HIS 85 N 4.00 -1.97 -3.13 4.97 8.25 -1.26 -5.02 115.22 121.07 3h9x n HIS 85 Ca -0.17 0.67 -0.40 0.00 -0.26 0.00 0.00 57.72 57.56 3h9x n HIS 85 Cb 0.52 -3.84 -0.06 0.00 1.12 0.00 0.00 29.99 27.72 3h9x n HIS 85 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3h9x s ASN 87 N -3.15 6.60 0.52 0.41 3.84 -1.26 -5.22 114.94 116.67 3h9x s ASN 87 Ca 0.39 0.73 0.28 0.00 0.21 0.00 0.00 52.86 54.46 3h9x s ASN 87 Cb -0.17 -2.33 1.41 0.00 -0.55 0.00 0.00 41.25 39.60 3h9x s ASN 87 CO 0.48 -0.32 2.04 0.11 -2.79 0.00 0.00 177.10 176.62 3h9x h LYS 88 N 7.76 0.00 0.00 0.43 1.57 -1.84 0.16 116.57 124.65 3h9x h LYS 88 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3h9x h LYS 88 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3h9x h LYS 88 CO 0.77 0.12 -0.18 0.39 -0.57 0.00 0.00 179.45 179.98 3h9x n GLU 89 N -3.55 0.03 0.00 3.15 1.02 -1.26 -4.11 120.64 115.93 3h9x n GLU 89 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3h9x n GLU 89 Cb 0.26 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3h9x n GLU 89 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3h9x n HIS 90 N -1.59 0.00 -4.35 -0.32 8.25 -1.03 -4.06 115.22 112.13 3h9x n HIS 90 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 3h9x n HIS 90 Cb 0.35 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.38 3h9x n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3h9x s TRP 91 N -1.36 2.55 0.03 4.41 0.52 0.53 -1.17 118.94 124.45 3h9x s TRP 91 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.83 3h9x s TRP 91 Cb 0.00 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 3h9x s TRP 91 CO 0.00 0.60 -0.07 0.42 0.02 0.00 0.00 176.95 177.92 3h9x s ILE 92 N -2.43 0.54 -0.24 2.03 -1.09 -0.39 -3.79 121.20 115.83 3h9x s ILE 92 Ca 0.32 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 3h9x s ILE 92 Cb -0.04 -0.56 0.02 0.00 -1.58 0.00 0.00 42.46 40.30 3h9x s ILE 92 CO 0.18 -0.22 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.72 3h9x s THR 93 N -0.98 2.90 -0.17 2.92 2.01 -0.88 -1.35 115.64 120.09 3h9x s THR 93 Ca -0.06 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 3h9x s THR 93 Cb -0.08 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 3h9x s THR 93 CO 0.00 0.27 0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 3h9x s VAL 94 N 1.35 4.86 -0.24 3.82 1.01 0.55 -0.88 120.40 130.88 3h9x s VAL 94 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 3h9x s VAL 94 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3h9x s VAL 94 CO -0.05 0.48 0.91 -0.22 0.00 0.00 0.00 175.10 176.22 3h9x s LEU 95 N 0.19 4.09 0.43 3.92 1.98 -0.06 -1.03 118.68 128.21 3h9x s LEU 95 Ca 0.05 1.16 -0.18 0.00 -2.89 0.00 0.00 54.13 52.27 3h9x s LEU 95 Cb -0.12 -3.32 -0.09 0.00 0.66 0.00 0.00 46.19 43.31 3h9x s LEU 95 CO 0.00 -0.58 0.91 -0.76 -1.89 0.00 0.00 176.35 174.04 3h9x s LEU 96 N 2.98 3.87 -1.23 -0.68 1.43 0.43 -3.31 118.68 122.17 3h9x s LEU 96 Ca 0.38 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 3h9x s LEU 96 Cb -0.15 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.66 3h9x s LEU 96 CO 0.07 -0.40 0.31 0.59 0.23 0.00 0.00 176.35 177.16 3h9x n ASN 97 N -0.89 -4.92 -2.99 2.29 4.13 -1.26 -4.53 115.26 107.09 3h9x n ASN 97 Ca 0.06 -0.15 -0.13 0.00 1.68 0.00 0.00 54.58 56.04 3h9x n ASN 97 Cb 0.54 -3.86 -0.03 0.00 -1.54 0.00 0.00 39.78 34.89 3h9x n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h9x n GLY 98 N -1.23 3.93 0.09 7.41 0.00 -1.21 -5.05 105.19 109.13 3h9x n GLY 98 Ca -0.12 -2.25 0.09 0.00 0.00 0.00 0.00 46.02 43.74 3h9x n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h9x n PRO 99 N -0.49 0.11 -2.59 1.61 -0.04 -1.26 -4.78 135.00 127.57 3h9x n PRO 99 Ca -0.08 0.44 -0.41 0.00 -0.04 0.00 0.00 63.50 63.40 3h9x n PRO 99 Cb 0.25 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 3h9x n PRO 99 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h9x s LEU 100 N -3.91 4.45 0.31 1.53 1.98 -1.26 -4.98 118.68 116.79 3h9x s LEU 100 Ca 0.03 1.92 -0.28 0.00 -2.89 0.00 0.00 54.13 52.91 3h9x s LEU 100 Cb 0.07 -3.59 -0.09 0.00 0.66 0.00 0.00 46.19 43.24 3h9x s LEU 100 CO 0.27 -0.23 1.10 -0.83 -1.89 0.00 0.00 176.35 174.76 3h9x s GLY 101 N 0.34 3.00 0.34 7.98 0.00 -1.26 -4.88 107.32 112.84 3h9x s GLY 101 Ca 0.51 0.87 0.09 0.00 0.00 0.00 0.00 44.72 46.19 3h9x s GLY 101 CO 0.31 1.45 1.81 0.00 0.00 0.00 0.00 173.10 176.67 3h9x h ALA 102 N 3.53 1.82 0.30 3.20 0.00 -1.95 0.37 119.26 126.52 3h9x h ALA 102 Ca -0.47 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3h9x h ALA 102 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3h9x h ALA 102 CO 0.66 -0.14 -0.14 -0.22 0.00 0.00 0.00 179.25 179.40 3h9x h LYS 103 N 0.69 -0.38 -0.77 0.00 3.64 -1.99 0.34 116.57 118.10 3h9x h LYS 103 Ca 0.53 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 60.00 3h9x h LYS 103 Cb 0.92 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 3h9x h LYS 103 CO -0.30 -0.16 0.50 1.49 -2.27 0.00 0.00 179.45 178.71 3h9x h GLU 104 N -0.54 0.81 -0.38 1.90 4.57 -1.63 -1.30 114.58 118.01 3h9x h GLU 104 Ca -0.04 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 3h9x h GLU 104 Cb 0.40 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3h9x h GLU 104 CO 0.07 0.54 -0.23 0.82 -1.18 0.00 0.00 179.01 179.02 3h9x h ILE 105 N 0.84 1.28 -0.95 2.32 2.04 0.05 -2.52 117.51 120.56 3h9x h ILE 105 Ca 0.33 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3h9x h ILE 105 Cb 0.21 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3h9x h ILE 105 CO -0.11 0.46 0.63 0.45 0.00 0.00 0.00 178.15 179.58 3h9x h HIS 106 N 0.63 1.17 -0.45 1.37 3.86 0.80 0.36 115.15 122.90 3h9x h HIS 106 Ca 0.08 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 3h9x h HIS 106 Cb 0.80 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3h9x h HIS 106 CO 0.06 0.70 -0.14 0.66 0.86 0.00 0.00 177.93 180.07 3h9x h SER 107 N 1.23 0.90 -0.75 2.45 4.64 -1.34 -1.70 113.55 118.98 3h9x h SER 107 Ca 0.37 -0.38 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3h9x h SER 107 Cb -0.05 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 3h9x h SER 107 CO -0.10 1.07 0.28 -0.07 -0.87 0.00 0.00 176.83 177.13 3h9x h LEU 108 N 0.72 1.06 -1.08 5.97 3.38 -0.94 0.22 115.31 124.63 3h9x h LEU 108 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h9x h LEU 108 Cb 0.69 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3h9x h LEU 108 CO 0.05 0.95 0.57 0.40 0.09 0.00 0.00 178.44 180.50 3h9x h ILE 109 N 1.11 1.24 -0.13 1.22 1.08 -0.76 -0.88 117.51 120.39 3h9x h ILE 109 Ca 0.25 -0.47 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 3h9x h ILE 109 Cb 0.24 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 3h9x h ILE 109 CO -0.02 0.24 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.56 3h9x h GLU 110 N 1.21 0.25 -0.59 2.37 4.57 -0.28 -1.96 114.58 120.16 3h9x h GLU 110 Ca 0.32 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 3h9x h GLU 110 Cb -0.10 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 3h9x h GLU 110 CO -0.07 0.56 0.29 -0.44 -1.18 0.00 0.00 179.01 178.18 3h9x h ASP 111 N -0.08 0.41 -0.27 1.04 5.19 -0.25 -0.13 116.42 122.33 3h9x h ASP 111 Ca 0.03 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 3h9x h ASP 111 Cb 0.48 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 3h9x h ASP 111 CO 0.01 0.27 -0.04 -1.28 -3.12 0.00 0.00 179.24 175.08 3h9x h SER 112 N 0.55 0.60 0.19 6.45 0.87 -1.14 -0.72 113.55 120.34 3h9x h SER 112 Ca 0.27 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3h9x h SER 112 Cb 0.21 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3h9x h SER 112 CO -0.20 0.70 -0.09 0.15 -0.53 0.00 0.00 176.83 176.86 3h9x h PHE 113 N 0.58 -0.24 0.00 2.24 3.57 -0.46 -2.89 116.94 119.75 3h9x h PHE 113 Ca 0.12 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3h9x h PHE 113 Cb 0.43 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3h9x h PHE 113 CO 0.02 0.01 -0.34 1.96 -2.23 0.00 0.00 178.31 177.73 3h9x h GLN 114 N -0.46 0.00 0.00 1.11 1.08 -0.95 -2.20 115.11 113.68 3h9x h GLN 114 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3h9x h GLN 114 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3h9x h GLN 114 CO 0.04 0.34 0.00 -0.11 -0.95 0.00 0.00 178.83 178.15 3h9x n LEU 115 N -4.11 0.65 -0.05 1.46 -0.00 -0.29 -2.94 117.00 111.72 3h9x n LEU 115 Ca -0.02 0.64 0.03 0.00 -0.00 0.00 0.00 56.01 56.66 3h9x n LEU 115 Cb 0.38 -0.52 0.04 0.00 -0.00 0.00 0.00 43.42 43.33 3h9x n LEU 115 CO 0.38 -0.46 0.48 0.35 -0.00 0.00 0.00 177.39 178.15 3h9x n THR 116 N -2.19 1.12 0.46 1.96 -2.24 -0.94 -5.08 114.28 107.37 3h9x n THR 116 Ca 0.03 -1.24 0.04 0.00 -2.27 0.00 0.00 64.05 60.60 3h9x n THR 116 Cb 0.27 0.31 0.22 0.00 -2.10 0.00 0.00 70.33 69.03 3h9x n THR 116 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36