#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd5 n ALA 30 N 0.00 3.16 -1.76 4.61 0.00 -1.26 -5.03 120.51 120.23 3hd5 n ALA 30 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 3hd5 n ALA 30 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.12 3hd5 n ALA 30 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3hd5 s GLN 31 N -2.04 3.31 -0.45 0.00 -2.07 -1.26 -4.71 119.66 112.44 3hd5 s GLN 31 Ca 0.03 2.06 0.01 0.00 -1.82 0.00 0.00 55.36 55.63 3hd5 s GLN 31 Cb 0.07 -2.27 0.45 0.00 -1.09 0.00 0.00 33.01 30.17 3hd5 s GLN 31 CO 0.41 -0.99 1.89 1.04 -1.32 0.00 0.00 175.29 176.31 3hd5 n GLN 32 N -0.91 2.19 -3.54 9.60 6.02 -1.26 -4.91 117.38 124.57 3hd5 n GLN 32 Ca 0.10 -2.55 -0.03 0.00 -0.01 0.00 0.00 57.00 54.50 3hd5 n GLN 32 Cb 0.46 -2.00 0.02 0.00 1.02 0.00 0.00 30.24 29.74 3hd5 n GLN 32 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3hd5 n TYR 33 N -0.65 -1.41 -4.02 1.08 4.11 -1.26 -4.08 117.16 110.92 3hd5 n TYR 33 Ca 0.50 -1.20 -0.10 0.00 -0.00 0.00 0.00 57.90 57.10 3hd5 n TYR 33 Cb 1.04 0.59 -0.11 0.00 -0.00 0.00 0.00 39.34 40.86 3hd5 n TYR 33 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 3hd5 s VAL 34 N -2.14 0.26 0.22 -3.48 -7.23 -1.26 -5.03 120.40 101.74 3hd5 s VAL 34 Ca 0.19 -1.08 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 3hd5 s VAL 34 Cb -0.03 -0.53 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 3hd5 s VAL 34 CO 0.06 -0.53 0.78 0.20 -0.31 0.00 0.00 175.10 175.30 3hd5 s ASN 35 N -1.69 7.23 -0.47 4.85 -0.87 -1.26 -4.42 114.94 118.30 3hd5 s ASN 35 Ca -0.11 1.57 -0.19 0.00 -1.57 0.00 0.00 52.86 52.56 3hd5 s ASN 35 Cb -0.08 -2.48 0.04 0.00 -0.02 0.00 0.00 41.25 38.72 3hd5 s ASN 35 CO -0.02 0.08 0.59 -0.63 -2.57 0.00 0.00 177.10 174.56 3hd5 s ILE 36 N -1.40 4.91 -0.12 0.60 1.01 -0.15 -4.95 121.20 121.09 3hd5 s ILE 36 Ca 0.42 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.76 3hd5 s ILE 36 Cb -0.19 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.07 3hd5 s ILE 36 CO 0.23 -0.68 -0.16 0.21 0.00 0.00 0.00 174.94 174.54 3hd5 s ASN 37 N 2.34 2.62 0.46 3.58 2.47 -1.26 -1.74 114.94 123.41 3hd5 s ASN 37 Ca 0.16 -0.47 -0.22 0.00 0.42 0.00 0.00 52.86 52.75 3hd5 s ASN 37 Cb -0.17 -1.17 -0.08 0.00 -1.45 0.00 0.00 41.25 38.37 3hd5 s ASN 37 CO 0.14 0.01 1.06 -2.16 -3.72 0.00 0.00 177.10 172.43 3hd5 s PRO 38 N 1.08 3.89 0.00 0.43 0.04 -1.26 -5.13 135.00 134.04 3hd5 s PRO 38 Ca -0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3hd5 s PRO 38 Cb -0.14 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3hd5 s PRO 38 CO -0.04 -0.37 0.00 -0.35 0.04 0.00 0.00 177.00 176.28 3hd5 n PRO 39 N -0.66 2.82 -2.91 0.56 -0.04 -0.71 -5.06 135.00 129.00 3hd5 n PRO 39 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 3hd5 n PRO 39 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 3hd5 n PRO 39 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hd5 n PRO 41 N 0.00 0.69 -0.93 0.54 -0.02 -1.26 -5.04 135.00 128.98 3hd5 n PRO 41 Ca 0.00 -2.78 0.00 0.00 -2.02 0.00 0.00 63.50 58.70 3hd5 n PRO 41 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 3hd5 n PRO 41 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hd5 n SER 42 N -2.28 1.45 -2.41 2.55 7.64 -1.26 -4.81 113.62 114.50 3hd5 n SER 42 Ca 0.10 -0.54 -0.17 0.00 1.01 0.00 0.00 58.87 59.28 3hd5 n SER 42 Cb 0.53 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3hd5 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hd5 n ASP 43 N -0.84 3.59 -4.22 6.43 5.68 -1.26 -5.00 116.55 120.94 3hd5 n ASP 43 Ca 0.00 -3.18 -0.30 0.00 -0.50 0.00 0.00 54.79 50.81 3hd5 n ASP 43 Cb 0.00 -0.43 -0.09 0.00 -1.14 0.00 0.00 41.12 39.47 3hd5 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hd5 n THR 44 N -0.55 -1.04 0.00 2.12 -2.24 -1.26 -4.86 114.28 106.45 3hd5 n THR 44 Ca 0.29 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3hd5 n THR 44 Cb 0.84 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3hd5 n THR 44 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3hd5 n PRO 45 N -4.44 0.00 0.00 -0.78 -0.04 -1.26 -4.99 135.00 123.49 3hd5 n PRO 45 Ca -0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 3hd5 n PRO 45 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 3hd5 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hd5 n GLY 46 N 2.78 -0.07 3.71 0.55 0.00 -1.26 -5.12 105.19 105.79 3hd5 n GLY 46 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hd5 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hd5 s LYS 47 N 0.00 4.20 -0.26 1.61 3.01 -1.26 -4.89 119.74 122.15 3hd5 s LYS 47 Ca 0.00 -0.09 -0.29 0.00 -1.01 0.00 0.00 55.97 54.59 3hd5 s LYS 47 Cb 0.00 -3.45 0.01 0.00 -1.01 0.00 0.00 37.83 33.38 3hd5 s LYS 47 CO 0.00 0.22 1.03 0.42 0.51 0.00 0.00 175.35 177.53 3hd5 s ILE 48 N 0.57 4.65 -0.05 2.17 1.01 0.36 -4.84 121.20 125.06 3hd5 s ILE 48 Ca 0.12 1.90 -0.19 0.00 0.00 0.00 0.00 60.65 62.47 3hd5 s ILE 48 Cb -0.12 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3hd5 s ILE 48 CO 0.02 -0.25 0.52 -0.70 0.00 0.00 0.00 174.94 174.53 3hd5 s GLU 49 N 3.29 4.27 -0.14 2.79 2.12 -1.26 -1.29 118.70 128.47 3hd5 s GLU 49 Ca 0.43 0.58 0.01 0.00 0.36 0.00 0.00 54.97 56.35 3hd5 s GLU 49 Cb -0.14 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3hd5 s GLU 49 CO 0.09 0.32 -0.18 0.08 -0.54 0.00 0.00 175.26 175.02 3hd5 s VAL 50 N 0.04 2.40 -0.17 3.70 1.01 -0.15 0.31 120.40 127.55 3hd5 s VAL 50 Ca 0.28 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3hd5 s VAL 50 Cb -0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3hd5 s VAL 50 CO 0.14 0.53 -0.03 -0.76 0.00 0.00 0.00 175.10 174.98 3hd5 s LEU 51 N 0.76 3.19 -0.34 3.92 1.43 0.20 -0.69 118.68 127.15 3hd5 s LEU 51 Ca -0.07 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3hd5 s LEU 51 Cb -0.16 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.32 3hd5 s LEU 51 CO 0.00 0.13 0.12 -0.70 0.23 0.00 0.00 176.35 176.13 3hd5 s GLU 52 N 0.59 2.74 -0.17 1.70 2.12 0.01 -0.43 118.70 125.26 3hd5 s GLU 52 Ca -0.03 -1.10 -0.24 0.00 0.36 0.00 0.00 54.97 53.96 3hd5 s GLU 52 Cb -0.14 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 3hd5 s GLU 52 CO 0.02 -0.63 0.77 -0.06 -0.54 0.00 0.00 175.26 174.83 3hd5 s PHE 53 N 1.45 3.42 0.23 5.30 0.08 0.12 -0.49 117.98 128.08 3hd5 s PHE 53 Ca -0.00 1.18 0.05 0.00 0.12 0.00 0.00 56.93 58.28 3hd5 s PHE 53 Cb -0.19 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 3hd5 s PHE 53 CO 0.03 -0.20 0.19 1.97 -0.10 0.00 0.00 175.22 177.12 3hd5 n PHE 54 N 5.06 -0.52 -3.67 0.36 -1.74 -0.55 -2.38 117.46 114.03 3hd5 n PHE 54 Ca 0.03 -1.90 -0.09 0.00 -0.56 0.00 0.00 57.45 54.92 3hd5 n PHE 54 Cb 0.49 0.19 -0.09 0.00 1.52 0.00 0.00 39.48 41.59 3hd5 n PHE 54 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hd5 s ALA 55 N -2.91 -1.48 0.50 1.98 0.00 -1.26 -1.07 121.76 117.51 3hd5 s ALA 55 Ca 0.27 1.97 0.20 0.00 0.00 0.00 0.00 51.96 54.39 3hd5 s ALA 55 Cb 0.01 -1.17 1.26 0.00 0.00 0.00 0.00 23.12 23.22 3hd5 s ALA 55 CO 0.19 -0.32 2.03 1.88 0.00 0.00 0.00 175.76 179.54 3hd5 h TYR 56 N 6.89 0.12 0.00 0.00 0.05 -1.92 -1.40 116.97 120.71 3hd5 h TYR 56 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 3hd5 h TYR 56 Cb 1.20 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.91 3hd5 h TYR 56 CO 0.16 0.06 0.00 1.79 -1.05 0.00 0.00 178.16 179.12 3hd5 h THR 57 N 0.11 0.00 -3.18 -2.88 1.35 -1.97 -3.45 112.91 102.89 3hd5 h THR 57 Ca 0.19 -0.62 -0.57 0.00 -0.55 0.00 0.00 66.41 64.86 3hd5 h THR 57 Cb 0.61 1.58 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 3hd5 h THR 57 CO -0.02 0.00 0.98 0.00 -0.25 0.00 0.00 175.52 176.23 3hd5 h PRO 59 N 9.50 0.00 -0.11 0.00 0.13 -1.87 -1.04 132.00 138.62 3hd5 h PRO 59 Ca -0.26 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.71 3hd5 h PRO 59 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 3hd5 h PRO 59 CO 1.04 0.05 -0.54 1.25 -0.23 0.00 0.00 178.00 179.57 3hd5 h HIS 60 N 0.00 0.75 -0.82 1.56 2.76 -1.91 -0.56 115.15 116.94 3hd5 h HIS 60 Ca -0.00 -0.33 -0.04 0.00 -2.20 0.00 0.00 60.37 57.79 3hd5 h HIS 60 Cb 0.13 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 3hd5 h HIS 60 CO 0.00 1.12 0.35 0.00 -1.30 0.00 0.00 177.93 178.10 3hd5 h ALA 62 N 1.19 -0.62 -0.86 0.00 0.00 -1.11 -0.40 119.26 117.47 3hd5 h ALA 62 Ca 0.27 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.19 3hd5 h ALA 62 Cb 0.19 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3hd5 h ALA 62 CO -0.03 -0.81 0.56 0.00 0.00 0.00 0.00 179.25 178.97 3hd5 h ALA 63 N -0.16 1.97 0.00 0.00 0.00 -0.84 -2.30 119.26 117.93 3hd5 h ALA 63 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hd5 h ALA 63 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hd5 h ALA 63 CO 0.10 -0.22 -0.61 1.51 0.00 0.00 0.00 179.25 180.04 3hd5 n ILE 64 N -4.53 0.09 -0.16 0.00 3.06 -0.33 -4.46 119.36 113.03 3hd5 n ILE 64 Ca 0.17 -0.09 -0.03 0.00 -2.50 0.00 0.00 62.75 60.30 3hd5 n ILE 64 Cb 0.53 0.19 0.04 0.00 0.54 0.00 0.00 39.64 40.94 3hd5 n ILE 64 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3hd5 h GLU 65 N 0.00 0.02 -1.80 9.51 4.57 -0.47 -0.45 114.58 125.97 3hd5 h GLU 65 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hd5 h GLU 65 Cb 0.58 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3hd5 h GLU 65 CO 0.00 0.02 0.00 -0.35 -1.18 0.00 0.00 179.01 177.50 3hd5 n PRO 66 N -5.33 0.33 0.00 0.92 -0.04 -1.26 -1.01 135.00 128.61 3hd5 n PRO 66 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3hd5 n PRO 66 Cb 0.27 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3hd5 n PRO 66 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hd5 n VAL 68 N 1.24 0.00 -0.24 0.52 0.31 -0.18 -1.71 118.33 118.27 3hd5 n VAL 68 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3hd5 n VAL 68 Cb 0.17 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.14 3hd5 n VAL 68 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hd5 h GLU 69 N 0.00 0.99 -0.44 5.55 5.08 -1.33 -0.73 114.58 123.71 3hd5 h GLU 69 Ca 0.00 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3hd5 h GLU 69 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3hd5 h GLU 69 CO 0.00 0.83 0.06 0.22 -1.00 0.00 0.00 179.01 179.12 3hd5 h ASP 70 N 0.94 0.70 -0.96 1.42 3.58 -1.58 -2.79 116.42 117.72 3hd5 h ASP 70 Ca 0.22 -0.27 0.06 0.00 0.42 0.00 0.00 57.03 57.47 3hd5 h ASP 70 Cb 0.21 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 3hd5 h ASP 70 CO -0.02 0.79 0.62 -0.25 -2.88 0.00 0.00 179.24 177.50 3hd5 h TRP 71 N 0.59 1.15 -0.03 0.28 7.01 -1.70 -1.91 115.95 121.33 3hd5 h TRP 71 Ca 0.13 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 3hd5 h TRP 71 Cb 0.39 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 3hd5 h TRP 71 CO 0.03 0.60 -0.13 0.00 -2.79 0.00 0.00 178.44 176.15 3hd5 h ALA 72 N 1.43 1.73 0.00 2.65 0.00 -0.88 -1.97 119.26 122.23 3hd5 h ALA 72 Ca 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3hd5 h ALA 72 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hd5 h ALA 72 CO -0.16 0.20 -0.20 0.87 0.00 0.00 0.00 179.25 179.96 3hd5 h LYS 73 N 0.04 0.00 -0.17 0.00 1.57 -1.20 -3.10 116.57 113.71 3hd5 h LYS 73 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hd5 h LYS 73 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3hd5 h LYS 73 CO 0.02 0.20 0.00 0.25 -0.57 0.00 0.00 179.45 179.34 3hd5 n THR 74 N -3.52 0.68 -1.12 -0.16 -2.24 -0.93 -5.04 114.28 101.95 3hd5 n THR 74 Ca -0.01 -0.84 -0.33 0.00 -2.27 0.00 0.00 64.05 60.60 3hd5 n THR 74 Cb 0.35 0.71 0.13 0.00 -2.10 0.00 0.00 70.33 69.42 3hd5 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hd5 s ALA 75 N -0.88 1.85 0.41 6.98 0.00 -0.78 -4.92 121.76 124.41 3hd5 s ALA 75 Ca 0.14 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 3hd5 s ALA 75 Cb 0.08 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3hd5 s ALA 75 CO 0.10 -2.27 1.35 -2.30 0.00 0.00 0.00 175.76 172.64 3hd5 n PRO 76 N -3.34 2.15 0.20 0.00 -0.02 -1.26 -4.86 135.00 127.87 3hd5 n PRO 76 Ca 0.13 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.50 3hd5 n PRO 76 Cb 0.51 -2.48 0.69 0.00 -0.02 0.00 0.00 33.50 32.19 3hd5 n PRO 76 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hd5 h GLN 77 N 2.32 0.00 -0.64 -0.52 4.20 -2.00 -0.90 115.11 117.57 3hd5 h GLN 77 Ca -0.49 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.01 3hd5 h GLN 77 Cb 1.28 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.93 3hd5 h GLN 77 CO 0.61 0.00 0.22 -0.40 -0.67 0.00 0.00 178.83 178.59 3hd5 n ASP 78 N -2.41 4.22 -4.13 1.46 5.75 -1.26 -4.93 116.55 115.25 3hd5 n ASP 78 Ca -0.02 -3.33 -0.24 0.00 -0.01 0.00 0.00 54.79 51.20 3hd5 n ASP 78 Cb 0.10 -0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 39.32 3hd5 n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hd5 s VAL 79 N -3.05 1.27 -0.02 2.12 1.01 -0.35 0.13 120.40 121.52 3hd5 s VAL 79 Ca 0.52 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3hd5 s VAL 79 Cb 0.43 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3hd5 s VAL 79 CO 0.10 0.36 -0.18 0.54 0.00 0.00 0.00 175.10 175.93 3hd5 s VAL 80 N -0.25 1.42 -0.20 2.92 0.11 -0.41 -4.83 120.40 119.16 3hd5 s VAL 80 Ca 0.03 -0.76 -0.09 0.00 -2.93 0.00 0.00 61.98 58.23 3hd5 s VAL 80 Cb -0.07 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 3hd5 s VAL 80 CO 0.00 0.40 0.11 -0.22 -3.33 0.00 0.00 175.10 172.07 3hd5 s LEU 81 N -0.34 4.07 -0.13 2.54 2.96 -1.26 -0.97 118.68 125.54 3hd5 s LEU 81 Ca 0.05 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3hd5 s LEU 81 Cb -0.08 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3hd5 s LEU 81 CO -0.00 0.16 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.32 3hd5 s LYS 82 N 0.46 1.98 -0.24 1.98 2.20 0.13 -4.98 119.74 121.28 3hd5 s LYS 82 Ca 0.06 -0.44 -0.13 0.00 -0.36 0.00 0.00 55.97 55.10 3hd5 s LYS 82 Cb -0.12 -1.86 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 3hd5 s LYS 82 CO -0.01 -0.22 0.28 -0.65 -0.36 0.00 0.00 175.35 174.40 3hd5 s GLN 83 N 1.48 4.07 -0.21 4.03 -0.21 -1.26 -0.81 119.66 126.75 3hd5 s GLN 83 Ca 0.03 -0.07 -0.02 0.00 0.02 0.00 0.00 55.36 55.32 3hd5 s GLN 83 Cb -0.13 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.30 3hd5 s GLN 83 CO -0.08 -0.09 -0.11 0.08 -2.12 0.00 0.00 175.29 172.97 3hd5 s VAL 84 N 1.49 2.78 0.25 1.09 1.01 0.35 -4.92 120.40 122.46 3hd5 s VAL 84 Ca 0.13 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3hd5 s VAL 84 Cb -0.15 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 3hd5 s VAL 84 CO 0.08 0.45 1.11 -2.16 0.00 0.00 0.00 175.10 174.57 3hd5 s PRO 85 N 1.39 4.62 0.32 2.72 0.04 -1.26 -1.48 135.00 141.34 3hd5 s PRO 85 Ca 0.05 1.80 0.06 0.00 0.04 0.00 0.00 61.00 62.94 3hd5 s PRO 85 Cb -0.14 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 3hd5 s PRO 85 CO -0.07 0.16 -0.01 0.96 0.04 0.00 0.00 177.00 178.08 3hd5 s ILE 86 N -0.90 1.56 -0.18 0.56 -5.25 -0.24 -4.54 121.20 112.21 3hd5 s ILE 86 Ca 0.46 -2.06 -0.05 0.00 -0.99 0.00 0.00 60.65 58.01 3hd5 s ILE 86 Cb -0.32 -2.66 0.06 0.00 2.95 0.00 0.00 42.46 42.50 3hd5 s ILE 86 CO 0.40 -0.15 0.09 0.00 -1.79 0.00 0.00 174.94 173.49 3hd5 s ALA 87 N -3.05 0.43 -0.77 2.27 0.00 -1.26 -4.76 121.76 114.62 3hd5 s ALA 87 Ca 0.33 -0.35 0.26 0.00 0.00 0.00 0.00 51.96 52.19 3hd5 s ALA 87 Cb 0.06 -1.05 0.65 0.00 0.00 0.00 0.00 23.12 22.78 3hd5 s ALA 87 CO 0.14 -1.20 1.57 1.19 0.00 0.00 0.00 175.76 177.46 3hd5 n PHE 88 N 5.28 0.53 -3.78 0.00 3.72 -1.26 -4.86 117.46 117.09 3hd5 n PHE 88 Ca -0.07 0.15 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 3hd5 n PHE 88 Cb 0.49 -0.68 -0.08 0.00 -0.94 0.00 0.00 39.48 38.27 3hd5 n PHE 88 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3hd5 s ASN 89 N -3.99 -0.14 0.40 4.37 2.20 -1.26 -5.04 114.94 111.47 3hd5 s ASN 89 Ca 0.09 -0.03 0.24 0.00 -0.94 0.00 0.00 52.86 52.22 3hd5 s ASN 89 Cb 0.14 0.31 1.31 0.00 -2.00 0.00 0.00 41.25 41.02 3hd5 s ASN 89 CO 0.65 -0.48 1.63 0.00 -2.94 0.00 0.00 177.10 175.95 3hd5 h ALA 90 N 3.74 2.39 0.00 3.54 0.00 -2.03 -3.28 119.26 123.62 3hd5 h ALA 90 Ca -0.30 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hd5 h ALA 90 Cb 1.18 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hd5 h ALA 90 CO 0.42 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 179.03 3hd5 n GLY 91 N -1.40 0.98 4.83 0.00 0.00 -1.26 -4.45 105.19 103.89 3hd5 n GLY 91 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3hd5 n GLY 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hd5 n LYS 93 N 1.73 0.00 0.23 1.61 4.81 -1.24 -4.68 118.16 120.62 3hd5 n LYS 93 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3hd5 n LYS 93 Cb 0.14 -0.26 0.76 0.00 0.02 0.00 0.00 35.03 35.69 3hd5 n LYS 93 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3hd5 h PRO 94 N 0.00 0.00 0.00 1.64 0.11 -1.90 0.13 132.00 131.98 3hd5 h PRO 94 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 3hd5 h PRO 94 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hd5 h PRO 94 CO 0.00 0.00 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.24 3hd5 h LEU 95 N 0.00 0.00 -0.00 2.35 -0.00 -1.88 -0.77 115.31 115.01 3hd5 h LEU 95 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 3hd5 h LEU 95 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 3hd5 h LEU 95 CO -0.00 0.48 -0.00 1.56 -0.00 0.00 0.00 178.44 180.47 3hd5 h GLN 96 N 0.00 0.00 -0.48 1.13 4.20 -1.09 -2.85 115.11 116.03 3hd5 h GLN 96 Ca -0.00 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 3hd5 h GLN 96 Cb 0.95 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.66 3hd5 h GLN 96 CO 0.06 0.62 0.07 1.96 -0.67 0.00 0.00 178.83 180.87 3hd5 h GLN 97 N -0.61 0.19 -0.42 1.46 4.20 -1.12 -1.73 115.11 117.08 3hd5 h GLN 97 Ca -0.00 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.78 3hd5 h GLN 97 Cb 0.62 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 3hd5 h GLN 97 CO 0.00 0.13 -0.12 1.25 -0.67 0.00 0.00 178.83 179.41 3hd5 h LEU 98 N 0.20 -0.45 -0.16 1.46 5.85 -1.15 0.13 115.31 121.20 3hd5 h LEU 98 Ca 0.24 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.15 3hd5 h LEU 98 Cb 0.33 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 3hd5 h LEU 98 CO -0.34 -0.16 -0.26 0.22 -0.34 0.00 0.00 178.44 177.56 3hd5 h TYR 99 N -0.02 -0.71 -0.42 1.25 3.20 -1.07 -1.54 116.97 117.65 3hd5 h TYR 99 Ca 0.20 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3hd5 h TYR 99 Cb 0.34 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3hd5 h TYR 99 CO -0.39 -0.34 -0.01 1.88 -1.64 0.00 0.00 178.16 177.66 3hd5 h TYR 100 N -0.32 0.72 -0.83 -3.82 0.05 -1.11 -2.50 116.97 109.16 3hd5 h TYR 100 Ca 0.11 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3hd5 h TYR 100 Cb 0.48 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 3hd5 h TYR 100 CO -0.37 0.69 0.54 1.15 -1.05 0.00 0.00 178.16 179.12 3hd5 h THR 101 N 0.65 1.22 -0.32 -2.88 2.02 -0.35 0.14 112.91 113.39 3hd5 h THR 101 Ca 0.13 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3hd5 h THR 101 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3hd5 h THR 101 CO 0.02 0.21 -0.12 -0.07 0.37 0.00 0.00 175.52 175.93 3hd5 h LEU 102 N 1.13 0.52 -0.05 2.58 3.38 -0.97 0.39 115.31 122.29 3hd5 h LEU 102 Ca 0.30 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3hd5 h LEU 102 Cb -0.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3hd5 h LEU 102 CO -0.06 0.68 -0.20 1.56 0.09 0.00 0.00 178.44 180.50 3hd5 h GLN 103 N 0.50 0.23 -0.59 1.13 1.08 -0.93 -0.77 115.11 115.76 3hd5 h GLN 103 Ca 0.09 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3hd5 h GLN 103 Cb 0.50 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3hd5 h GLN 103 CO 0.03 0.81 0.25 0.00 -0.95 0.00 0.00 178.83 178.98 3hd5 h ALA 104 N 0.42 1.35 0.00 3.87 0.00 -0.64 -0.56 119.26 123.69 3hd5 h ALA 104 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hd5 h ALA 104 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hd5 h ALA 104 CO 0.04 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3hd5 n LEU 105 N -4.34 0.00 -3.63 0.00 4.77 0.12 -4.86 117.00 109.06 3hd5 n LEU 105 Ca 0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 3hd5 n LEU 105 Cb 0.15 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3hd5 n LEU 105 CO 0.38 0.00 0.13 -0.62 -1.33 0.00 0.00 177.39 175.95 3hd5 n GLU 106 N -0.86 -6.61 -3.02 3.23 1.02 -0.22 -4.94 120.64 109.24 3hd5 n GLU 106 Ca 0.11 0.75 -0.19 0.00 -0.02 0.00 0.00 57.16 57.81 3hd5 n GLU 106 Cb 0.05 -5.68 -0.02 0.00 -0.02 0.00 0.00 31.44 25.76 3hd5 n GLU 106 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hd5 n ARG 107 N -4.58 1.63 0.03 3.49 5.12 -0.31 -4.90 116.66 117.15 3hd5 n ARG 107 Ca -0.12 -3.75 0.05 0.00 -1.93 0.00 0.00 57.85 52.10 3hd5 n ARG 107 Cb 0.60 -1.79 0.24 0.00 -1.16 0.00 0.00 32.46 30.36 3hd5 n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3hd5 n PRO 108 N 0.07 0.04 0.24 5.56 -0.04 -1.25 -1.50 135.00 138.12 3hd5 n PRO 108 Ca 0.25 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 3hd5 n PRO 108 Cb 0.62 -1.60 0.54 0.00 -0.04 0.00 0.00 33.50 33.02 3hd5 n PRO 108 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3hd5 h ASP 109 N 0.00 0.00 1.58 3.54 3.04 -1.92 -2.80 116.42 119.86 3hd5 h ASP 109 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 3hd5 h ASP 109 Cb 0.13 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.42 3hd5 h ASP 109 CO 0.00 0.14 -0.42 -0.07 -2.04 0.00 0.00 179.24 176.85 3hd5 h LEU 110 N 0.00 0.00 -0.19 0.15 3.38 -1.65 -3.38 115.31 113.61 3hd5 h LEU 110 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hd5 h LEU 110 Cb 0.66 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 3hd5 h LEU 110 CO 0.02 0.05 -0.53 -0.74 0.09 0.00 0.00 178.44 177.33 3hd5 h HIS 111 N 0.00 -1.60 0.00 1.13 2.76 -1.63 0.10 115.15 115.92 3hd5 h HIS 111 Ca -0.01 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3hd5 h HIS 111 Cb 1.05 0.72 -0.00 0.00 1.55 0.00 0.00 27.41 30.73 3hd5 h HIS 111 CO 0.00 -0.52 -0.09 -1.00 -1.30 0.00 0.00 177.93 175.02 3hd5 h PRO 112 N -0.53 0.00 -0.73 5.26 0.13 -1.76 -2.58 132.00 131.80 3hd5 h PRO 112 Ca 0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 3hd5 h PRO 112 Cb 0.65 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 3hd5 h PRO 112 CO -0.46 0.09 0.34 0.87 -0.23 0.00 0.00 178.00 178.61 3hd5 h LYS 113 N 0.00 1.04 -0.80 0.86 1.79 -1.01 -2.81 116.57 115.63 3hd5 h LYS 113 Ca -0.00 -0.14 0.08 0.00 -2.18 0.00 0.00 60.65 58.41 3hd5 h LYS 113 Cb 0.26 -0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 30.65 3hd5 h LYS 113 CO 0.01 0.80 0.46 0.28 -1.08 0.00 0.00 179.45 179.93 3hd5 h VAL 114 N 1.03 0.94 0.20 0.50 2.07 -0.88 -0.47 116.25 119.63 3hd5 h VAL 114 Ca 0.25 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3hd5 h VAL 114 Cb 0.11 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3hd5 h VAL 114 CO -0.03 0.15 -0.09 -0.26 0.02 0.00 0.00 177.57 177.35 3hd5 h PHE 115 N 0.81 -0.24 -0.31 1.57 0.04 -1.62 -1.28 116.94 115.90 3hd5 h PHE 115 Ca 0.38 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.18 3hd5 h PHE 115 Cb 0.30 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3hd5 h PHE 115 CO -0.06 -0.13 0.09 1.15 -0.60 0.00 0.00 178.31 178.76 3hd5 h THR 116 N -0.29 0.89 -0.83 -1.55 2.02 -1.38 0.33 112.91 112.09 3hd5 h THR 116 Ca -0.03 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3hd5 h THR 116 Cb 0.22 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3hd5 h THR 116 CO 0.04 0.04 0.45 0.00 0.37 0.00 0.00 175.52 176.43 3hd5 h ALA 117 N 1.21 1.23 0.14 6.16 0.00 -1.01 0.24 119.26 127.23 3hd5 h ALA 117 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hd5 h ALA 117 Cb 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hd5 h ALA 117 CO -0.16 0.62 -0.07 0.82 0.00 0.00 0.00 179.25 180.46 3hd5 h ILE 118 N 1.17 0.78 0.10 0.00 2.04 -0.73 0.11 117.51 120.97 3hd5 h ILE 118 Ca 0.29 -1.21 -0.22 0.00 1.00 0.00 0.00 64.86 64.72 3hd5 h ILE 118 Cb 0.03 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3hd5 h ILE 118 CO -0.05 0.22 -1.08 0.45 0.00 0.00 0.00 178.15 177.70 3hd5 h HIS 119 N -0.92 0.37 0.19 1.37 3.86 -0.39 -3.05 115.15 116.59 3hd5 h HIS 119 Ca -0.02 -0.27 -0.29 0.00 -1.16 0.00 0.00 60.37 58.63 3hd5 h HIS 119 Cb 0.50 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 28.98 3hd5 h HIS 119 CO 0.09 1.42 -1.33 1.15 0.86 0.00 0.00 177.93 180.12 3hd5 h THR 120 N -0.48 1.24 -0.00 2.45 2.02 -0.91 -3.36 112.91 113.87 3hd5 h THR 120 Ca -0.23 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.38 3hd5 h THR 120 Cb 1.59 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.99 3hd5 h THR 120 CO 0.05 0.78 -0.37 -0.62 0.37 0.00 0.00 175.52 175.72 3hd5 n GLU 121 N -3.85 0.52 -1.66 6.66 1.02 0.58 -4.96 120.64 118.94 3hd5 n GLU 121 Ca -0.19 -0.31 -0.17 0.00 -0.02 0.00 0.00 57.16 56.47 3hd5 n GLU 121 Cb 0.99 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.85 3hd5 n GLU 121 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hd5 n ARG 122 N -0.97 -1.22 -2.58 3.49 5.12 -1.03 -4.95 116.66 114.52 3hd5 n ARG 122 Ca 0.09 1.05 -0.41 0.00 -1.93 0.00 0.00 57.85 56.65 3hd5 n ARG 122 Cb 0.35 -5.32 -0.04 0.00 -1.16 0.00 0.00 32.46 26.29 3hd5 n ARG 122 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3hd5 s LYS 123 N -3.73 4.61 -1.43 5.56 1.02 0.34 -4.95 119.74 121.16 3hd5 s LYS 123 Ca 0.00 1.62 -0.12 0.00 0.02 0.00 0.00 55.97 57.50 3hd5 s LYS 123 Cb 0.00 -3.33 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 3hd5 s LYS 123 CO 0.00 0.08 2.26 0.54 -0.92 0.00 0.00 175.35 177.31 3hd5 n ARG 124 N 2.75 3.29 -2.12 1.68 5.12 -1.26 -4.34 116.66 121.77 3hd5 n ARG 124 Ca 0.03 -2.83 -0.41 0.00 -1.93 0.00 0.00 57.85 52.71 3hd5 n ARG 124 Cb 0.47 -3.08 -0.00 0.00 -1.16 0.00 0.00 32.46 28.69 3hd5 n ARG 124 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hd5 n LEU 125 N 4.87 7.40 -0.14 0.55 4.77 -1.26 -4.55 117.00 128.63 3hd5 n LEU 125 Ca 0.54 -4.74 0.06 0.00 -0.03 0.00 0.00 56.01 51.84 3hd5 n LEU 125 Cb 0.35 -1.43 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 3hd5 n LEU 125 CO 0.86 1.72 0.09 0.49 -1.33 0.00 0.00 177.39 179.23 3hd5 n PHE 126 N 2.89 0.00 -4.16 -1.77 3.72 -1.26 -4.98 117.46 111.89 3hd5 n PHE 126 Ca 0.52 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.80 3hd5 n PHE 126 Cb 0.30 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 3hd5 n PHE 126 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3hd5 s ASP 127 N -1.98 1.21 0.16 4.37 -4.77 -1.26 -4.84 116.67 109.56 3hd5 s ASP 127 Ca 0.08 -0.88 -0.27 0.00 -3.30 0.00 0.00 52.55 48.18 3hd5 s ASP 127 Cb 0.10 0.06 0.01 0.00 -1.09 0.00 0.00 42.92 42.00 3hd5 s ASP 127 CO 0.45 -0.36 1.56 0.50 0.70 0.00 0.00 175.17 178.02 3hd5 h LYS 128 N 3.36 -0.20 -0.61 2.11 3.64 -1.94 -1.69 116.57 121.24 3hd5 h LYS 128 Ca -0.36 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.15 3hd5 h LYS 128 Cb 1.18 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 3hd5 h LYS 128 CO 0.58 -0.13 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.10 3hd5 h LYS 129 N -0.21 -0.13 -0.31 1.90 3.64 -2.01 0.38 116.57 119.84 3hd5 h LYS 129 Ca 0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3hd5 h LYS 129 Cb 0.55 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hd5 h LYS 129 CO -0.73 -0.08 0.00 0.00 -2.27 0.00 0.00 179.45 176.36 3hd5 n ALA 130 N -3.15 1.17 0.00 5.00 0.00 -0.63 -1.59 120.51 121.31 3hd5 n ALA 130 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3hd5 n ALA 130 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3hd5 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hd5 n GLY 132 N 0.53 0.00 0.06 0.00 0.00 0.13 -1.84 105.19 104.07 3hd5 n GLY 132 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hd5 n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hd5 h GLU 133 N 0.00 -0.04 -0.60 1.61 4.39 -1.52 -0.88 114.58 117.53 3hd5 h GLU 133 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3hd5 h GLU 133 Cb 0.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3hd5 h GLU 133 CO 0.00 -0.03 0.32 2.35 -1.16 0.00 0.00 179.01 180.49 3hd5 h TRP 134 N -0.05 0.83 -0.45 4.33 7.01 -1.64 -1.46 115.95 124.53 3hd5 h TRP 134 Ca -0.00 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.04 3hd5 h TRP 134 Cb 0.04 -0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 26.78 3hd5 h TRP 134 CO -0.08 0.61 0.13 0.00 -2.79 0.00 0.00 178.44 176.30 3hd5 h ALA 135 N 1.15 0.52 -0.40 2.65 0.00 -1.74 -0.43 119.26 121.01 3hd5 h ALA 135 Ca 0.21 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3hd5 h ALA 135 Cb 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hd5 h ALA 135 CO -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 179.25 178.92 3hd5 h ALA 136 N 1.32 1.21 0.00 0.00 0.00 -0.94 -1.55 119.26 119.30 3hd5 h ALA 136 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hd5 h ALA 136 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hd5 h ALA 136 CO -0.25 0.52 -0.03 1.03 0.00 0.00 0.00 179.25 180.52 3hd5 h SER 137 N 0.61 0.00 0.03 0.00 0.87 -0.03 -0.78 113.55 114.26 3hd5 h SER 137 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3hd5 h SER 137 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3hd5 h SER 137 CO 0.02 0.03 -0.03 0.00 -0.53 0.00 0.00 176.83 176.32 3hd5 n GLN 138 N -4.41 1.43 0.00 2.24 1.13 -0.54 -4.91 117.38 112.32 3hd5 n GLN 138 Ca -0.03 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.30 3hd5 n GLN 138 Cb 0.11 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.98 3hd5 n GLN 138 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hd5 n GLY 139 N 1.17 1.16 3.88 1.08 0.00 -0.30 -5.10 105.19 107.09 3hd5 n GLY 139 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3hd5 n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hd5 s VAL 140 N -2.00 5.35 -0.19 1.61 1.01 -0.82 -5.00 120.40 120.36 3hd5 s VAL 140 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 3hd5 s VAL 140 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 3hd5 s VAL 140 CO 0.00 0.38 1.14 -0.62 0.00 0.00 0.00 175.10 176.00 3hd5 s ASP 141 N -1.76 7.04 0.26 3.32 -1.08 -1.26 -3.87 116.67 119.32 3hd5 s ASP 141 Ca 0.25 1.54 -0.02 0.00 -0.52 0.00 0.00 52.55 53.80 3hd5 s ASP 141 Cb -0.12 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.27 3hd5 s ASP 141 CO 0.16 -0.70 1.80 -0.09 0.52 0.00 0.00 175.17 176.86 3hd5 h ARG 142 N 7.76 0.76 -0.31 4.34 1.12 -1.95 0.96 114.38 127.06 3hd5 h ARG 142 Ca -0.23 -0.05 0.02 0.00 -1.11 0.00 0.00 59.98 58.61 3hd5 h ARG 142 Cb 1.09 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.85 3hd5 h ARG 142 CO 0.97 0.50 0.17 0.00 -3.11 0.00 0.00 179.97 178.50 3hd5 h ALA 143 N 1.51 0.39 -0.32 2.80 0.00 -1.99 0.22 119.26 121.86 3hd5 h ALA 143 Ca 0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 3hd5 h ALA 143 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hd5 h ALA 143 CO -0.29 -0.20 0.06 0.87 0.00 0.00 0.00 179.25 179.69 3hd5 h LYS 144 N 0.36 0.53 0.11 0.00 1.79 -1.73 -2.35 116.57 115.27 3hd5 h LYS 144 Ca 0.13 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3hd5 h LYS 144 Cb 0.01 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 3hd5 h LYS 144 CO -0.07 0.61 -0.20 0.35 -1.08 0.00 0.00 179.45 179.06 3hd5 h PHE 145 N 0.36 -0.52 -0.26 -1.35 3.04 -0.49 -0.26 116.94 117.46 3hd5 h PHE 145 Ca 0.10 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.12 3hd5 h PHE 145 Cb 0.33 0.22 -0.08 0.00 2.56 0.00 0.00 35.95 38.98 3hd5 h PHE 145 CO 0.02 -0.29 -0.38 -0.44 -2.02 0.00 0.00 178.31 175.20 3hd5 h ASP 146 N -0.38 -1.22 -0.02 0.41 5.19 -0.50 0.32 116.42 120.22 3hd5 h ASP 146 Ca 0.03 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3hd5 h ASP 146 Cb 0.40 0.53 -0.00 0.00 0.18 0.00 0.00 39.33 40.44 3hd5 h ASP 146 CO -0.11 -0.37 0.01 0.28 -3.12 0.00 0.00 179.24 175.93 3hd5 h SER 147 N -0.38 0.02 -0.70 6.45 0.02 -1.27 -2.69 113.55 115.01 3hd5 h SER 147 Ca 0.12 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3hd5 h SER 147 Cb 0.58 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3hd5 h SER 147 CO -0.47 0.04 0.40 0.58 -1.14 0.00 0.00 176.83 176.25 3hd5 h VAL 148 N 0.00 1.21 0.00 2.27 2.07 -0.72 0.10 116.25 121.19 3hd5 h VAL 148 Ca 0.01 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3hd5 h VAL 148 Cb 0.02 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3hd5 h VAL 148 CO -0.00 0.23 -0.08 0.15 0.02 0.00 0.00 177.57 177.89 3hd5 h PHE 149 N 1.00 0.00 0.00 1.57 3.04 -0.15 -2.45 116.94 119.95 3hd5 h PHE 149 Ca 0.26 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.21 3hd5 h PHE 149 Cb 0.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.52 3hd5 h PHE 149 CO 0.01 0.08 -1.05 -0.25 -2.02 0.00 0.00 178.31 175.08 3hd5 n ASP 150 N -3.51 0.84 -4.37 0.41 8.00 -0.68 -4.85 116.55 112.39 3hd5 n ASP 150 Ca -0.02 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 3hd5 n ASP 150 Cb 0.22 1.19 0.01 0.00 -0.02 0.00 0.00 41.12 42.52 3hd5 n ASP 150 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hd5 n SER 151 N -1.57 -2.05 0.24 -2.24 3.41 0.26 -4.78 113.62 106.89 3hd5 n SER 151 Ca 0.02 0.80 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 3hd5 n SER 151 Cb 0.31 -1.00 0.54 0.00 -0.26 0.00 0.00 64.21 63.80 3hd5 n SER 151 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3hd5 h PHE 152 N 0.40 0.00 -0.37 7.33 3.57 -1.90 -2.58 116.94 123.39 3hd5 h PHE 152 Ca -0.40 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.98 3hd5 h PHE 152 Cb 1.42 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 3hd5 h PHE 152 CO 0.31 0.19 -0.23 0.66 -2.23 0.00 0.00 178.31 177.00 3hd5 h SER 153 N 0.00 0.84 -0.29 0.41 4.64 -1.93 -2.35 113.55 114.88 3hd5 h SER 153 Ca -0.00 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 3hd5 h SER 153 Cb 0.63 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3hd5 h SER 153 CO 0.02 1.08 0.00 0.58 -0.87 0.00 0.00 176.83 177.65 3hd5 h VAL 154 N 0.60 1.25 -0.34 0.95 2.07 -1.77 -2.09 116.25 116.92 3hd5 h VAL 154 Ca 0.08 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3hd5 h VAL 154 Cb 0.79 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3hd5 h VAL 154 CO 0.06 0.29 0.24 -0.61 0.02 0.00 0.00 177.57 177.58 3hd5 h GLN 155 N 0.29 0.10 -0.01 1.57 4.15 -1.41 -1.57 115.11 118.23 3hd5 h GLN 155 Ca 0.08 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3hd5 h GLN 155 Cb 0.42 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.09 3hd5 h GLN 155 CO 0.01 0.07 -0.33 1.15 -1.93 0.00 0.00 178.83 177.81 3hd5 h THR 156 N 0.11 1.51 -0.92 2.39 2.02 -1.11 -2.93 112.91 113.98 3hd5 h THR 156 Ca 0.16 -1.95 0.07 0.00 0.77 0.00 0.00 66.41 65.46 3hd5 h THR 156 Cb 0.50 2.69 -0.06 0.00 -1.74 0.00 0.00 68.15 69.54 3hd5 h THR 156 CO -0.02 0.54 0.60 1.56 0.37 0.00 0.00 175.52 178.57 3hd5 h GLN 157 N -0.39 0.99 -0.70 6.66 4.20 -0.73 0.73 115.11 125.88 3hd5 h GLN 157 Ca -0.04 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3hd5 h GLN 157 Cb 1.06 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 3hd5 h GLN 157 CO 0.06 0.66 0.32 0.28 -0.67 0.00 0.00 178.83 179.48 3hd5 h VAL 158 N 1.02 1.23 0.20 -0.54 2.07 -1.36 0.37 116.25 119.25 3hd5 h VAL 158 Ca 0.40 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3hd5 h VAL 158 Cb 0.24 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3hd5 h VAL 158 CO -0.16 0.28 -0.10 1.56 0.02 0.00 0.00 177.57 179.18 3hd5 h GLN 159 N 0.97 -0.26 -0.79 1.57 4.20 -0.89 -1.53 115.11 118.38 3hd5 h GLN 159 Ca 0.24 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.05 3hd5 h GLN 159 Cb 0.14 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 3hd5 h GLN 159 CO -0.03 -0.09 0.45 -0.09 -0.67 0.00 0.00 178.83 178.40 3hd5 h ARG 160 N -0.38 0.75 0.52 1.46 1.12 -0.66 0.25 114.38 117.45 3hd5 h ARG 160 Ca -0.03 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 3hd5 h ARG 160 Cb 0.29 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 3hd5 h ARG 160 CO 0.04 0.50 -0.41 0.00 -3.11 0.00 0.00 179.97 176.99 3hd5 h ALA 161 N 1.43 -1.14 -0.58 2.80 0.00 0.16 0.28 119.26 122.20 3hd5 h ALA 161 Ca 0.37 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hd5 h ALA 161 Cb 0.31 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hd5 h ALA 161 CO -0.23 -1.14 0.38 0.77 0.00 0.00 0.00 179.25 179.04 3hd5 h SER 162 N -0.90 0.58 -0.47 0.00 0.02 -1.11 -0.50 113.55 111.18 3hd5 h SER 162 Ca -0.07 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3hd5 h SER 162 Cb 0.75 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 3hd5 h SER 162 CO 0.01 0.40 0.25 -0.61 -1.14 0.00 0.00 176.83 175.74 3hd5 h GLN 163 N 0.68 0.47 -0.52 3.45 4.15 0.06 0.61 115.11 124.02 3hd5 h GLN 163 Ca 0.23 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.51 3hd5 h GLN 163 Cb 0.08 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3hd5 h GLN 163 CO -0.06 0.31 -0.13 -0.07 -1.93 0.00 0.00 178.83 176.95 3hd5 h LEU 164 N 0.49 0.99 -1.43 -2.39 3.38 0.88 -1.82 115.31 115.42 3hd5 h LEU 164 Ca 0.20 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hd5 h LEU 164 Cb 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hd5 h LEU 164 CO -0.13 1.12 0.41 0.00 0.09 0.00 0.00 178.44 179.93 3hd5 h ALA 165 N 0.96 1.66 -0.11 1.53 0.00 -0.32 -1.20 119.26 121.79 3hd5 h ALA 165 Ca 0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3hd5 h ALA 165 Cb 0.69 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hd5 h ALA 165 CO 0.05 0.28 -0.80 0.93 0.00 0.00 0.00 179.25 179.71 3hd5 h GLU 166 N 0.74 0.73 0.00 0.00 4.39 -0.56 -2.64 114.58 117.24 3hd5 h GLU 166 Ca 0.25 -0.64 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 3hd5 h GLU 166 Cb 0.07 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3hd5 h GLU 166 CO -0.07 1.24 -0.01 0.00 -1.16 0.00 0.00 179.01 179.02 3hd5 h ALA 167 N 0.50 1.01 -0.00 3.43 0.00 -0.68 -2.38 119.26 121.14 3hd5 h ALA 167 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hd5 h ALA 167 Cb 1.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3hd5 h ALA 167 CO 0.16 0.01 -0.66 0.00 0.00 0.00 0.00 179.25 178.77 3hd5 n ALA 168 N -2.10 3.96 -3.52 0.00 0.00 -0.51 -4.83 120.51 113.50 3hd5 n ALA 168 Ca -0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 52.74 3hd5 n ALA 168 Cb 0.22 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 18.82 3hd5 n ALA 168 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hd5 n HIS 169 N -1.12 -2.13 -1.68 0.00 -0.00 -0.90 -4.86 115.22 104.53 3hd5 n HIS 169 Ca 0.07 0.91 -0.43 0.00 -0.00 0.00 0.00 57.72 58.27 3hd5 n HIS 169 Cb 0.36 -4.86 -0.03 0.00 -0.00 0.00 0.00 29.99 25.45 3hd5 n HIS 169 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3hd5 n ILE 170 N -4.21 0.43 0.08 1.59 2.08 -1.02 -4.90 119.36 113.40 3hd5 n ILE 170 Ca -0.28 -0.08 -0.16 0.00 0.56 0.00 0.00 62.75 62.80 3hd5 n ILE 170 Cb 0.67 -2.08 -0.14 0.00 -0.75 0.00 0.00 39.64 37.33 3hd5 n ILE 170 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 3hd5 h ASP 171 N 8.75 0.38 0.00 4.38 3.04 -1.93 -3.50 116.42 127.54 3hd5 h ASP 171 Ca -0.47 -0.47 0.00 0.00 -3.24 0.00 0.00 57.03 52.84 3hd5 h ASP 171 Cb 1.23 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 3hd5 h ASP 171 CO 0.94 1.39 0.00 0.61 -2.04 0.00 0.00 179.24 180.14 3hd5 n GLY 172 N 1.60 1.37 2.99 7.15 0.00 -1.26 -5.16 105.19 111.88 3hd5 n GLY 172 Ca -0.13 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 3hd5 n GLY 172 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hd5 s THR 173 N -1.59 0.54 0.65 2.61 -4.23 -1.26 -3.87 115.64 108.49 3hd5 s THR 173 Ca 0.00 -0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 3hd5 s THR 173 Cb 0.00 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 3hd5 s THR 173 CO 0.00 0.10 1.05 -2.84 -0.54 0.00 0.00 174.62 172.39 3hd5 s PRO 174 N -0.29 3.23 -0.03 3.99 0.02 -1.26 -4.78 135.00 135.87 3hd5 s PRO 174 Ca 0.02 0.93 -0.04 0.00 0.02 0.00 0.00 61.00 61.92 3hd5 s PRO 174 Cb -0.03 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.47 3hd5 s PRO 174 CO -0.00 -0.87 0.11 0.00 -0.33 0.00 0.00 177.00 175.91 3hd5 s ALA 175 N -2.98 -0.27 -0.03 -1.55 0.00 -1.00 -4.33 121.76 111.60 3hd5 s ALA 175 Ca 0.58 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3hd5 s ALA 175 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 3hd5 s ALA 175 CO 0.51 -0.10 -0.21 -0.06 0.00 0.00 0.00 175.76 175.90 3hd5 s PHE 176 N -0.37 1.96 -0.11 0.00 0.40 0.34 0.14 117.98 120.34 3hd5 s PHE 176 Ca -0.04 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 3hd5 s PHE 176 Cb -0.03 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 3hd5 s PHE 176 CO 0.00 -0.11 -0.16 0.00 0.70 0.00 0.00 175.22 175.65 3hd5 s ALA 177 N -0.28 2.50 -0.11 5.36 0.00 0.42 -0.67 121.76 128.98 3hd5 s ALA 177 Ca 0.02 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3hd5 s ALA 177 Cb -0.10 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3hd5 s ALA 177 CO 0.01 0.31 -0.19 0.08 0.00 0.00 0.00 175.76 175.97 3hd5 s VAL 178 N 0.18 1.75 -1.35 0.00 1.01 0.67 0.58 120.40 123.24 3hd5 s VAL 178 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3hd5 s VAL 178 Cb -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3hd5 s VAL 178 CO 0.06 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3hd5 n GLY 179 N 4.00 1.21 2.89 4.51 0.00 0.15 -1.48 105.19 116.48 3hd5 n GLY 179 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hd5 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hd5 n GLY 180 N -0.16 0.08 0.00 -0.02 0.00 -1.26 -4.74 105.19 99.08 3hd5 n GLY 180 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hd5 n GLY 180 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hd5 n ARG 181 N 0.26 4.43 -2.41 1.61 0.63 -0.55 -4.56 116.66 116.07 3hd5 n ARG 181 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 3hd5 n ARG 181 Cb 0.40 -0.65 -0.01 0.00 0.45 0.00 0.00 32.46 32.65 3hd5 n ARG 181 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hd5 n TYR 182 N -1.11 -0.01 0.00 -0.14 4.01 -0.92 -0.98 117.16 118.02 3hd5 n TYR 182 Ca 0.00 -0.46 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 3hd5 n TYR 182 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3hd5 n TYR 182 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3hd5 n THR 184 N -0.15 0.00 -3.84 -0.72 5.66 0.16 -0.23 114.28 115.15 3hd5 n THR 184 Ca -0.01 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.92 3hd5 n THR 184 Cb 0.11 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.88 3hd5 n THR 184 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3hd5 s SER 185 N 0.00 -0.19 0.24 1.09 1.04 -1.26 -0.50 113.70 114.11 3hd5 s SER 185 Ca 0.00 -0.72 -0.06 0.00 0.48 0.00 0.00 55.95 55.64 3hd5 s SER 185 Cb 0.00 0.74 0.29 0.00 0.10 0.00 0.00 66.02 67.15 3hd5 s SER 185 CO 0.00 -1.40 1.87 -0.65 0.98 0.00 0.00 173.24 174.04 3hd5 h PRO 186 N 2.00 1.01 -0.30 4.02 0.11 -1.97 -1.01 132.00 135.85 3hd5 h PRO 186 Ca -0.22 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 3hd5 h PRO 186 Cb 1.25 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3hd5 h PRO 186 CO 0.27 0.67 -0.19 -0.24 -0.21 0.00 0.00 178.00 178.30 3hd5 h VAL 187 N 1.04 1.30 0.00 3.15 3.04 -1.96 -1.83 116.25 120.99 3hd5 h VAL 187 Ca 0.35 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.70 3hd5 h VAL 187 Cb 0.06 1.50 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3hd5 h VAL 187 CO -0.14 0.42 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.65 3hd5 h LEU 188 N 0.41 0.00 -2.14 3.16 4.07 -1.81 -1.92 115.31 117.08 3hd5 h LEU 188 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3hd5 h LEU 188 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 3hd5 h LEU 188 CO 0.05 0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.53 3hd5 n ALA 189 N -2.22 2.44 0.02 1.53 0.00 -0.41 -4.25 120.51 117.62 3hd5 n ALA 189 Ca -0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 3hd5 n ALA 189 Cb 0.29 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3hd5 n ALA 189 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hd5 h GLY 190 N 4.62 -0.36 -6.98 0.00 0.00 -0.49 -3.38 103.07 96.48 3hd5 h GLY 190 Ca 0.00 0.33 -0.63 0.00 0.00 0.00 0.00 47.33 47.03 3hd5 h GLY 190 CO 0.00 -0.21 0.31 -1.31 0.00 0.00 0.00 176.54 175.33 3hd5 s ASN 191 N -4.93 6.42 -0.88 0.19 -0.87 -1.26 -5.00 114.94 108.62 3hd5 s ASN 191 Ca -0.15 -0.04 -0.06 0.00 -1.57 0.00 0.00 52.86 51.04 3hd5 s ASN 191 Cb 0.10 -2.37 0.22 0.00 -0.02 0.00 0.00 41.25 39.18 3hd5 s ASN 191 CO 0.66 -0.83 0.78 -0.62 -2.57 0.00 0.00 177.10 174.52 3hd5 s ASP 192 N 2.03 6.29 0.10 -1.22 -1.08 -1.26 -4.82 116.67 116.71 3hd5 s ASP 192 Ca 0.29 -3.33 -0.28 0.00 -0.52 0.00 0.00 52.55 48.71 3hd5 s ASP 192 Cb -0.13 -2.02 -0.11 0.00 -1.46 0.00 0.00 42.92 39.20 3hd5 s ASP 192 CO 0.20 -0.32 1.64 1.88 0.52 0.00 0.00 175.17 179.10 3hd5 h TYR 193 N 6.69 -0.67 -0.49 -5.34 0.99 -1.95 0.42 116.97 116.63 3hd5 h TYR 193 Ca 0.12 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 3hd5 h TYR 193 Cb 0.90 0.27 -0.02 0.00 1.00 0.00 0.00 36.73 38.87 3hd5 h TYR 193 CO 0.79 -0.37 0.13 0.00 -0.00 0.00 0.00 178.16 178.71 3hd5 h ALA 194 N 0.15 1.32 -0.54 3.88 0.00 -1.91 -2.61 119.26 119.55 3hd5 h ALA 194 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hd5 h ALA 194 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hd5 h ALA 194 CO -0.07 0.48 0.34 0.78 0.00 0.00 0.00 179.25 180.77 3hd5 h GLY 195 N 0.90 0.76 0.72 0.00 0.00 -1.78 -0.39 103.07 103.27 3hd5 h GLY 195 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.27 3hd5 h GLY 195 CO -0.01 0.23 0.18 0.00 0.00 0.00 0.00 176.54 176.94 3hd5 h ALA 196 N 1.22 0.50 -0.78 3.60 0.00 -0.56 0.30 119.26 123.55 3hd5 h ALA 196 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3hd5 h ALA 196 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hd5 h ALA 196 CO -0.07 -0.20 0.42 -0.07 0.00 0.00 0.00 179.25 179.33 3hd5 h LEU 197 N 0.36 0.97 -0.95 0.00 3.38 -1.28 0.30 115.31 118.09 3hd5 h LEU 197 Ca 0.18 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3hd5 h LEU 197 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hd5 h LEU 197 CO -0.15 0.78 0.13 0.11 0.09 0.00 0.00 178.44 179.39 3hd5 h LYS 198 N 1.09 0.90 -0.38 1.13 1.57 0.49 0.24 116.57 121.62 3hd5 h LYS 198 Ca 0.27 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 3hd5 h LYS 198 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3hd5 h LYS 198 CO -0.04 0.81 -0.32 0.28 -0.57 0.00 0.00 179.45 179.61 3hd5 h VAL 199 N 0.86 1.28 -0.56 0.50 2.07 0.74 -2.26 116.25 118.87 3hd5 h VAL 199 Ca 0.18 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.31 3hd5 h VAL 199 Cb 0.33 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3hd5 h VAL 199 CO 0.00 0.49 0.17 0.58 0.02 0.00 0.00 177.57 178.84 3hd5 h VAL 200 N 0.69 0.74 -0.76 2.57 2.07 0.12 0.38 116.25 122.06 3hd5 h VAL 200 Ca 0.07 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3hd5 h VAL 200 Cb 0.90 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3hd5 h VAL 200 CO 0.08 0.06 0.44 0.44 0.02 0.00 0.00 177.57 178.62 3hd5 h ASP 201 N 0.33 0.67 -0.48 0.57 3.32 -0.65 0.19 116.42 120.36 3hd5 h ASP 201 Ca 0.28 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 3hd5 h ASP 201 Cb 0.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3hd5 h ASP 201 CO -0.32 0.42 0.02 1.56 -1.72 0.00 0.00 179.24 179.20 3hd5 h GLN 202 N 0.80 0.83 -0.56 3.56 4.20 -0.55 -2.58 115.11 120.82 3hd5 h GLN 202 Ca 0.34 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hd5 h GLN 202 Cb 0.21 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3hd5 h GLN 202 CO -0.19 0.87 0.36 -0.07 -0.67 0.00 0.00 178.83 179.13 3hd5 h LEU 203 N 0.69 0.65 -0.28 1.46 3.38 0.81 -0.83 115.31 121.18 3hd5 h LEU 203 Ca 0.14 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3hd5 h LEU 203 Cb 0.48 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3hd5 h LEU 203 CO 0.02 0.48 -0.16 0.40 0.09 0.00 0.00 178.44 179.27 3hd5 h ILE 204 N 0.76 0.53 -0.43 1.22 2.04 -0.46 0.23 117.51 121.40 3hd5 h ILE 204 Ca 0.20 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 3hd5 h ILE 204 Cb -0.07 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3hd5 h ILE 204 CO -0.04 0.00 0.28 0.58 0.00 0.00 0.00 178.15 178.97 3hd5 h VAL 205 N -0.13 1.05 -0.28 1.67 2.07 -1.04 -0.03 116.25 119.56 3hd5 h VAL 205 Ca 0.15 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 3hd5 h VAL 205 Cb 0.36 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3hd5 h VAL 205 CO -0.36 0.09 -0.31 -0.61 0.02 0.00 0.00 177.57 176.39 3hd5 h GLN 206 N 0.49 0.71 -0.00 1.57 4.15 0.61 -3.04 115.11 119.59 3hd5 h GLN 206 Ca 0.17 -0.39 -0.18 0.00 0.77 0.00 0.00 58.65 59.02 3hd5 h GLN 206 Cb 0.08 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3hd5 h GLN 206 CO -0.04 1.00 -0.81 0.66 -1.93 0.00 0.00 178.83 177.71 3hd5 h SER 207 N 0.45 0.16 -0.02 -0.69 4.64 -0.09 -2.92 113.55 115.07 3hd5 h SER 207 Ca 0.04 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3hd5 h SER 207 Cb 0.89 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3hd5 h SER 207 CO 0.08 0.90 0.02 -0.09 -0.87 0.00 0.00 176.83 176.86 3hd5 h ARG 208 N 0.07 0.00 -0.02 4.77 2.43 -1.03 -3.51 114.38 117.09 3hd5 h ARG 208 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hd5 h ARG 208 Cb 1.42 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3hd5 h ARG 208 CO 0.12 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.97